USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 97 TYR OH : rot -86:sc= 0.283 USER MOD Set 1.2: A 118 GLN : amide:sc= -0.795! X(o=-0.51!,f=-0.74) USER MOD Set 2.1: A 62 ASN :FLIP amide:sc= -0.332 F(o=-1.5,f=0.17) USER MOD Set 2.2: A 68 SER OG : rot -111:sc= 0.505 USER MOD Set 3.1: A 51 LYS NZ :NH3+ -134:sc= 0.141 (180deg=0) USER MOD Set 3.2: A 53 GLN : amide:sc= 0.196 K(o=0.34,f=-0.39) 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 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.039) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -143:sc= -0.218 (180deg=-1.13) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -9:sc= -3.24! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-4.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 40 SER OG : rot 9:sc= 0.798 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.7!) USER MOD Single : A 69 TYR OH : rot 15:sc= -1.49! USER MOD Single : A 79 ASN :FLIP amide:sc= -4.27! C(o=-6.6!,f=-4.3!) USER MOD Single : A 86 THR OG1 : rot -89:sc= -3.13! USER MOD Single : A 88 TYR OH : rot 117:sc= -4.81! USER MOD Single : A 90 SER OG : rot 180:sc= -0.201 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0445) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 98 SER OG : rot 110:sc= -0.158 USER MOD Single : A 99 ASN :FLIP amide:sc= -7.12! C(o=-13!,f=-7.1!) USER MOD Single : A 104 THR OG1 : rot 87:sc= -0.204! USER MOD Single : A 105 LYS NZ :NH3+ -125:sc= -2.18! (180deg=-5.44!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.073 USER MOD Single : A 120 SER OG : rot 16:sc= 1.16 USER MOD Single : A 121 LYS NZ :NH3+ 156:sc= -0.0115 (180deg=-0.172) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.648 15.165 -0.748 1.00 0.00 N ATOM 2 CA GLY A 1 17.030 15.814 0.445 1.00 0.00 C ATOM 3 C GLY A 1 17.715 17.155 0.714 1.00 0.00 C ATOM 4 O GLY A 1 18.924 17.265 0.674 1.00 0.00 O ATOM 0 H1 GLY A 1 17.181 14.254 -0.929 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.534 15.783 -1.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.660 15.006 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.964 15.966 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.126 15.164 1.315 1.00 0.00 H new ATOM 10 N SER A 2 16.950 18.177 0.990 1.00 0.00 N ATOM 11 CA SER A 2 17.557 19.510 1.262 1.00 0.00 C ATOM 12 C SER A 2 16.559 20.403 2.006 1.00 0.00 C ATOM 13 O SER A 2 16.923 21.166 2.879 1.00 0.00 O ATOM 14 CB SER A 2 17.875 20.091 -0.116 1.00 0.00 C ATOM 15 OG SER A 2 18.921 21.047 0.003 1.00 0.00 O ATOM 0 H SER A 2 15.932 18.146 1.039 1.00 0.00 H new ATOM 0 HA SER A 2 18.447 19.439 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.171 19.295 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.986 20.559 -0.539 1.00 0.00 H new ATOM 0 HG SER A 2 19.127 21.419 -0.880 1.00 0.00 H new ATOM 21 N HIS A 3 15.302 20.313 1.666 1.00 0.00 N ATOM 22 CA HIS A 3 14.281 21.156 2.354 1.00 0.00 C ATOM 23 C HIS A 3 13.580 20.353 3.454 1.00 0.00 C ATOM 24 O HIS A 3 12.389 20.128 3.396 1.00 0.00 O ATOM 25 CB HIS A 3 13.285 21.541 1.261 1.00 0.00 C ATOM 26 CG HIS A 3 13.836 22.685 0.456 1.00 0.00 C ATOM 27 ND1 HIS A 3 13.375 22.983 -0.816 1.00 0.00 N ATOM 28 CD2 HIS A 3 14.811 23.614 0.728 1.00 0.00 C ATOM 29 CE1 HIS A 3 14.065 24.049 -1.259 1.00 0.00 C ATOM 30 NE2 HIS A 3 14.953 24.474 -0.356 1.00 0.00 N ATOM 0 H HIS A 3 14.937 19.693 0.943 1.00 0.00 H new ATOM 0 HA HIS A 3 14.725 22.029 2.832 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.093 20.686 0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.331 21.823 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.380 23.668 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.919 24.506 -2.227 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.597 25.260 -0.443 1.00 0.00 H new ATOM 38 N MET A 4 14.317 19.925 4.448 1.00 0.00 N ATOM 39 CA MET A 4 13.720 19.131 5.570 1.00 0.00 C ATOM 40 C MET A 4 12.582 18.233 5.070 1.00 0.00 C ATOM 41 O MET A 4 12.531 17.860 3.915 1.00 0.00 O ATOM 42 CB MET A 4 13.209 20.174 6.578 1.00 0.00 C ATOM 43 CG MET A 4 11.774 20.604 6.245 1.00 0.00 C ATOM 44 SD MET A 4 11.648 22.406 6.346 1.00 0.00 S ATOM 45 CE MET A 4 10.533 22.475 7.769 1.00 0.00 C ATOM 0 H MET A 4 15.319 20.093 4.532 1.00 0.00 H new ATOM 0 HA MET A 4 14.450 18.459 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.243 19.759 7.585 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.865 21.045 6.570 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.504 20.265 5.245 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.073 20.140 6.939 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.316 23.515 8.011 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.604 21.957 7.529 1.00 0.00 H new ATOM 0 HE3 MET A 4 11.006 21.994 8.625 1.00 0.00 H new ATOM 55 N THR A 5 11.667 17.888 5.935 1.00 0.00 N ATOM 56 CA THR A 5 10.533 17.022 5.514 1.00 0.00 C ATOM 57 C THR A 5 9.206 17.644 5.954 1.00 0.00 C ATOM 58 O THR A 5 9.157 18.448 6.863 1.00 0.00 O ATOM 59 CB THR A 5 10.765 15.686 6.224 1.00 0.00 C ATOM 60 OG1 THR A 5 11.266 15.924 7.533 1.00 0.00 O ATOM 61 CG2 THR A 5 11.776 14.858 5.433 1.00 0.00 C ATOM 0 H THR A 5 11.657 18.170 6.915 1.00 0.00 H new ATOM 0 HA THR A 5 10.484 16.901 4.432 1.00 0.00 H new ATOM 0 HB THR A 5 9.823 15.142 6.291 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.413 15.068 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.942 13.906 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.391 14.674 4.430 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.718 15.402 5.365 1.00 0.00 H new ATOM 69 N GLU A 6 8.133 17.274 5.317 1.00 0.00 N ATOM 70 CA GLU A 6 6.805 17.834 5.692 1.00 0.00 C ATOM 71 C GLU A 6 5.699 16.970 5.087 1.00 0.00 C ATOM 72 O GLU A 6 4.680 17.461 4.646 1.00 0.00 O ATOM 73 CB GLU A 6 6.775 19.242 5.095 1.00 0.00 C ATOM 74 CG GLU A 6 7.193 19.191 3.623 1.00 0.00 C ATOM 75 CD GLU A 6 7.704 20.568 3.196 1.00 0.00 C ATOM 76 OE1 GLU A 6 7.720 21.457 4.031 1.00 0.00 O ATOM 77 OE2 GLU A 6 8.070 20.710 2.041 1.00 0.00 O ATOM 0 H GLU A 6 8.117 16.604 4.548 1.00 0.00 H new ATOM 0 HA GLU A 6 6.651 17.856 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.774 19.663 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.446 19.897 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.971 18.441 3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.347 18.896 3.003 1.00 0.00 H new ATOM 84 N ARG A 7 5.905 15.682 5.057 1.00 0.00 N ATOM 85 CA ARG A 7 4.881 14.770 4.475 1.00 0.00 C ATOM 86 C ARG A 7 5.093 13.348 5.006 1.00 0.00 C ATOM 87 O ARG A 7 5.246 12.407 4.254 1.00 0.00 O ATOM 88 CB ARG A 7 5.105 14.830 2.957 1.00 0.00 C ATOM 89 CG ARG A 7 6.606 14.808 2.640 1.00 0.00 C ATOM 90 CD ARG A 7 6.831 15.245 1.188 1.00 0.00 C ATOM 91 NE ARG A 7 7.959 16.215 1.247 1.00 0.00 N ATOM 92 CZ ARG A 7 9.183 15.799 1.079 1.00 0.00 C ATOM 93 NH1 ARG A 7 9.536 14.617 1.500 1.00 0.00 N ATOM 94 NH2 ARG A 7 10.057 16.568 0.491 1.00 0.00 N ATOM 0 H ARG A 7 6.742 15.220 5.412 1.00 0.00 H new ATOM 0 HA ARG A 7 3.864 15.060 4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.612 13.985 2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.654 15.735 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.141 15.473 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.006 13.806 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.076 14.393 0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.935 15.706 0.771 1.00 0.00 H new ATOM 0 HE ARG A 7 7.774 17.203 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.854 14.015 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.494 14.294 1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.783 17.494 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.015 16.243 0.359 1.00 0.00 H new ATOM 108 N ARG A 8 5.109 13.194 6.304 1.00 0.00 N ATOM 109 CA ARG A 8 5.319 11.843 6.902 1.00 0.00 C ATOM 110 C ARG A 8 4.368 10.815 6.276 1.00 0.00 C ATOM 111 O ARG A 8 4.603 9.625 6.342 1.00 0.00 O ATOM 112 CB ARG A 8 5.009 12.017 8.389 1.00 0.00 C ATOM 113 CG ARG A 8 6.250 11.678 9.219 1.00 0.00 C ATOM 114 CD ARG A 8 6.356 12.651 10.396 1.00 0.00 C ATOM 115 NE ARG A 8 5.150 12.377 11.224 1.00 0.00 N ATOM 116 CZ ARG A 8 5.240 12.365 12.526 1.00 0.00 C ATOM 117 NH1 ARG A 8 5.219 13.487 13.193 1.00 0.00 N ATOM 118 NH2 ARG A 8 5.348 11.231 13.160 1.00 0.00 N ATOM 0 H ARG A 8 4.985 13.949 6.978 1.00 0.00 H new ATOM 0 HA ARG A 8 6.331 11.476 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.696 13.042 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.180 11.370 8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.188 10.653 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.144 11.741 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.272 12.487 10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.374 13.686 10.054 1.00 0.00 H new ATOM 0 HE ARG A 8 4.252 12.198 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.132 14.374 12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.289 13.477 14.211 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.362 10.354 12.639 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.418 11.220 14.178 1.00 0.00 H new ATOM 132 N LEU A 9 3.299 11.258 5.672 1.00 0.00 N ATOM 133 CA LEU A 9 2.347 10.294 5.050 1.00 0.00 C ATOM 134 C LEU A 9 3.074 9.454 3.997 1.00 0.00 C ATOM 135 O LEU A 9 3.797 9.976 3.163 1.00 0.00 O ATOM 136 CB LEU A 9 1.274 11.165 4.391 1.00 0.00 C ATOM 137 CG LEU A 9 0.441 11.869 5.465 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.505 12.872 4.799 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.378 10.834 6.243 1.00 0.00 C ATOM 0 H LEU A 9 3.044 12.242 5.582 1.00 0.00 H new ATOM 0 HA LEU A 9 1.919 9.603 5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.742 11.903 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.629 10.550 3.764 1.00 0.00 H new ATOM 0 HG LEU A 9 1.105 12.394 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.099 13.374 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.077 13.611 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.168 12.346 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.970 11.338 7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.042 10.307 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.295 10.120 6.718 1.00 0.00 H new ATOM 151 N ARG A 10 2.905 8.157 4.023 1.00 0.00 N ATOM 152 CA ARG A 10 3.603 7.318 3.011 1.00 0.00 C ATOM 153 C ARG A 10 2.911 5.967 2.825 1.00 0.00 C ATOM 154 O ARG A 10 1.975 5.627 3.520 1.00 0.00 O ATOM 155 CB ARG A 10 5.025 7.149 3.553 1.00 0.00 C ATOM 156 CG ARG A 10 5.968 6.683 2.438 1.00 0.00 C ATOM 157 CD ARG A 10 5.797 7.571 1.199 1.00 0.00 C ATOM 158 NE ARG A 10 5.621 6.619 0.071 1.00 0.00 N ATOM 159 CZ ARG A 10 5.553 7.061 -1.154 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.637 7.460 -1.761 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.402 7.112 -1.767 1.00 0.00 N ATOM 0 H ARG A 10 2.323 7.651 4.691 1.00 0.00 H new ATOM 0 HA ARG A 10 3.595 7.783 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.378 8.094 3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.027 6.424 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.001 6.723 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.757 5.644 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.934 8.229 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.668 8.209 1.046 1.00 0.00 H new ATOM 0 HE ARG A 10 5.553 5.618 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.534 7.426 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.587 7.806 -2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.555 6.806 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.349 7.458 -2.725 1.00 0.00 H new ATOM 175 N VAL A 11 3.367 5.198 1.872 1.00 0.00 N ATOM 176 CA VAL A 11 2.740 3.872 1.615 1.00 0.00 C ATOM 177 C VAL A 11 3.769 2.863 1.090 1.00 0.00 C ATOM 178 O VAL A 11 4.323 3.020 0.017 1.00 0.00 O ATOM 179 CB VAL A 11 1.694 4.144 0.536 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.708 5.203 1.027 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.397 4.648 -0.727 1.00 0.00 C ATOM 0 H VAL A 11 4.148 5.433 1.260 1.00 0.00 H new ATOM 0 HA VAL A 11 2.317 3.446 2.525 1.00 0.00 H new ATOM 0 HB VAL A 11 1.151 3.225 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.036 5.394 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.211 4.847 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.245 6.125 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.656 4.844 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.937 5.567 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.099 3.892 -1.079 1.00 0.00 H new ATOM 191 N LEU A 12 4.008 1.806 1.814 1.00 0.00 N ATOM 192 CA LEU A 12 4.967 0.787 1.313 1.00 0.00 C ATOM 193 C LEU A 12 4.183 -0.258 0.515 1.00 0.00 C ATOM 194 O LEU A 12 3.470 -1.070 1.067 1.00 0.00 O ATOM 195 CB LEU A 12 5.618 0.169 2.560 1.00 0.00 C ATOM 196 CG LEU A 12 6.167 1.260 3.506 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.508 0.799 4.082 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.382 2.590 2.763 1.00 0.00 C ATOM 0 H LEU A 12 3.586 1.606 2.721 1.00 0.00 H new ATOM 0 HA LEU A 12 5.733 1.204 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.886 -0.441 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.428 -0.495 2.259 1.00 0.00 H new ATOM 0 HG LEU A 12 5.437 1.418 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.900 1.566 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.366 -0.128 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.215 0.631 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.769 3.336 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.097 2.443 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.433 2.934 2.352 1.00 0.00 H new ATOM 210 N VAL A 13 4.301 -0.238 -0.784 1.00 0.00 N ATOM 211 CA VAL A 13 3.552 -1.221 -1.615 1.00 0.00 C ATOM 212 C VAL A 13 4.543 -2.190 -2.236 1.00 0.00 C ATOM 213 O VAL A 13 5.580 -1.795 -2.726 1.00 0.00 O ATOM 214 CB VAL A 13 2.845 -0.401 -2.702 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.635 -1.178 -3.220 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.361 0.934 -2.129 1.00 0.00 C ATOM 0 H VAL A 13 4.884 0.417 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 13 2.832 -1.798 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 13 3.550 -0.215 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.132 -0.596 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.965 -2.128 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.943 -1.365 -2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.861 1.506 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.663 0.748 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.214 1.500 -1.755 1.00 0.00 H new ATOM 226 N VAL A 14 4.264 -3.454 -2.202 1.00 0.00 N ATOM 227 CA VAL A 14 5.238 -4.406 -2.775 1.00 0.00 C ATOM 228 C VAL A 14 4.536 -5.576 -3.476 1.00 0.00 C ATOM 229 O VAL A 14 3.557 -6.129 -2.998 1.00 0.00 O ATOM 230 CB VAL A 14 6.071 -4.876 -1.571 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.321 -3.707 -0.612 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.338 -5.992 -0.828 1.00 0.00 C ATOM 0 H VAL A 14 3.417 -3.865 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 14 5.859 -3.948 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 14 7.026 -5.252 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.912 -4.052 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.862 -2.918 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.367 -3.318 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.937 -6.317 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.376 -5.622 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.178 -6.834 -1.502 1.00 0.00 H new ATOM 242 N GLU A 15 5.053 -5.944 -4.615 1.00 0.00 N ATOM 243 CA GLU A 15 4.487 -7.076 -5.398 1.00 0.00 C ATOM 244 C GLU A 15 5.592 -7.662 -6.282 1.00 0.00 C ATOM 245 O GLU A 15 6.525 -6.985 -6.656 1.00 0.00 O ATOM 246 CB GLU A 15 3.363 -6.485 -6.250 1.00 0.00 C ATOM 247 CG GLU A 15 3.894 -5.291 -7.044 1.00 0.00 C ATOM 248 CD GLU A 15 3.546 -5.467 -8.523 1.00 0.00 C ATOM 249 OE1 GLU A 15 2.506 -6.037 -8.804 1.00 0.00 O ATOM 250 OE2 GLU A 15 4.326 -5.028 -9.349 1.00 0.00 O ATOM 0 H GLU A 15 5.863 -5.497 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 15 4.104 -7.875 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.972 -7.242 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.536 -6.172 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.459 -4.366 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.974 -5.210 -6.921 1.00 0.00 H new ATOM 257 N ASP A 16 5.505 -8.916 -6.598 1.00 0.00 N ATOM 258 CA ASP A 16 6.561 -9.566 -7.433 1.00 0.00 C ATOM 259 C ASP A 16 6.886 -8.772 -8.706 1.00 0.00 C ATOM 260 O ASP A 16 7.877 -9.032 -9.358 1.00 0.00 O ATOM 261 CB ASP A 16 5.956 -10.908 -7.814 1.00 0.00 C ATOM 262 CG ASP A 16 4.590 -10.674 -8.467 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.156 -9.534 -8.491 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.003 -11.633 -8.935 1.00 0.00 O ATOM 0 H ASP A 16 4.743 -9.531 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 16 7.500 -9.639 -6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.616 -11.437 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.848 -11.536 -6.930 1.00 0.00 H new ATOM 269 N GLU A 17 6.066 -7.837 -9.096 1.00 0.00 N ATOM 270 CA GLU A 17 6.364 -7.093 -10.355 1.00 0.00 C ATOM 271 C GLU A 17 7.067 -5.762 -10.080 1.00 0.00 C ATOM 272 O GLU A 17 6.972 -5.201 -9.008 1.00 0.00 O ATOM 273 CB GLU A 17 4.999 -6.858 -11.004 1.00 0.00 C ATOM 274 CG GLU A 17 4.782 -7.880 -12.121 1.00 0.00 C ATOM 275 CD GLU A 17 4.035 -9.094 -11.564 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.858 -8.957 -11.275 1.00 0.00 O ATOM 277 OE2 GLU A 17 4.652 -10.138 -11.434 1.00 0.00 O ATOM 0 H GLU A 17 5.215 -7.557 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 17 7.042 -7.656 -10.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.210 -6.946 -10.258 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.945 -5.847 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.212 -7.430 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.741 -8.189 -12.537 1.00 0.00 H new ATOM 284 N SER A 18 7.764 -5.250 -11.061 1.00 0.00 N ATOM 285 CA SER A 18 8.469 -3.946 -10.891 1.00 0.00 C ATOM 286 C SER A 18 7.554 -2.819 -11.357 1.00 0.00 C ATOM 287 O SER A 18 7.828 -1.654 -11.144 1.00 0.00 O ATOM 288 CB SER A 18 9.706 -4.035 -11.784 1.00 0.00 C ATOM 289 OG SER A 18 10.836 -3.556 -11.068 1.00 0.00 O ATOM 0 H SER A 18 7.875 -5.683 -11.978 1.00 0.00 H new ATOM 0 HA SER A 18 8.741 -3.747 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.870 -5.066 -12.097 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.558 -3.447 -12.690 1.00 0.00 H new ATOM 0 HG SER A 18 11.632 -3.613 -11.637 1.00 0.00 H new ATOM 295 N MET A 19 6.461 -3.155 -11.985 1.00 0.00 N ATOM 296 CA MET A 19 5.529 -2.097 -12.448 1.00 0.00 C ATOM 297 C MET A 19 5.101 -1.253 -11.252 1.00 0.00 C ATOM 298 O MET A 19 4.769 -0.100 -11.391 1.00 0.00 O ATOM 299 CB MET A 19 4.332 -2.836 -13.048 1.00 0.00 C ATOM 300 CG MET A 19 3.806 -2.058 -14.257 1.00 0.00 C ATOM 301 SD MET A 19 3.398 -3.216 -15.585 1.00 0.00 S ATOM 302 CE MET A 19 5.089 -3.760 -15.927 1.00 0.00 C ATOM 0 H MET A 19 6.177 -4.112 -12.195 1.00 0.00 H new ATOM 0 HA MET A 19 5.982 -1.428 -13.180 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.625 -3.842 -13.349 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.546 -2.943 -12.301 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.923 -1.483 -13.977 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.556 -1.345 -14.599 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.212 -3.915 -16.999 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.792 -2.999 -15.587 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.284 -4.695 -15.401 1.00 0.00 H new ATOM 312 N ILE A 20 5.122 -1.823 -10.073 1.00 0.00 N ATOM 313 CA ILE A 20 4.729 -1.049 -8.859 1.00 0.00 C ATOM 314 C ILE A 20 5.874 -0.127 -8.447 1.00 0.00 C ATOM 315 O ILE A 20 5.678 0.883 -7.802 1.00 0.00 O ATOM 316 CB ILE A 20 4.472 -2.102 -7.779 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.129 -1.408 -6.459 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.715 -2.969 -7.590 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.699 -2.454 -5.428 1.00 0.00 C ATOM 0 H ILE A 20 5.394 -2.791 -9.900 1.00 0.00 H new ATOM 0 HA ILE A 20 3.852 -0.424 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 20 3.639 -2.733 -8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.993 -0.854 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.329 -0.684 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.524 -3.716 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.956 -3.469 -8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.553 -2.342 -7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.455 -1.959 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.823 -2.988 -5.795 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.513 -3.161 -5.265 1.00 0.00 H new ATOM 331 N ALA A 21 7.071 -0.476 -8.822 1.00 0.00 N ATOM 332 CA ALA A 21 8.249 0.360 -8.469 1.00 0.00 C ATOM 333 C ALA A 21 8.077 1.782 -9.018 1.00 0.00 C ATOM 334 O ALA A 21 7.870 2.729 -8.279 1.00 0.00 O ATOM 335 CB ALA A 21 9.420 -0.339 -9.154 1.00 0.00 C ATOM 0 H ALA A 21 7.285 -1.313 -9.364 1.00 0.00 H new ATOM 0 HA ALA A 21 8.390 0.456 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.340 0.208 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.510 -1.356 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.247 -0.369 -10.230 1.00 0.00 H new ATOM 341 N MET A 22 8.161 1.939 -10.312 1.00 0.00 N ATOM 342 CA MET A 22 8.000 3.297 -10.903 1.00 0.00 C ATOM 343 C MET A 22 6.552 3.755 -10.746 1.00 0.00 C ATOM 344 O MET A 22 6.252 4.933 -10.753 1.00 0.00 O ATOM 345 CB MET A 22 8.363 3.141 -12.380 1.00 0.00 C ATOM 346 CG MET A 22 9.079 4.403 -12.861 1.00 0.00 C ATOM 347 SD MET A 22 10.857 4.087 -12.965 1.00 0.00 S ATOM 348 CE MET A 22 11.392 5.816 -12.971 1.00 0.00 C ATOM 0 H MET A 22 8.333 1.189 -10.982 1.00 0.00 H new ATOM 0 HA MET A 22 8.629 4.042 -10.416 1.00 0.00 H new ATOM 0 HB2 MET A 22 9.004 2.270 -12.519 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.463 2.972 -12.971 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.695 4.702 -13.836 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.885 5.228 -12.175 1.00 0.00 H new ATOM 0 HE1 MET A 22 12.479 5.860 -13.031 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.960 6.328 -13.831 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.059 6.303 -12.054 1.00 0.00 H new ATOM 358 N LEU A 23 5.653 2.826 -10.586 1.00 0.00 N ATOM 359 CA LEU A 23 4.220 3.189 -10.406 1.00 0.00 C ATOM 360 C LEU A 23 4.040 3.905 -9.066 1.00 0.00 C ATOM 361 O LEU A 23 2.981 4.411 -8.755 1.00 0.00 O ATOM 362 CB LEU A 23 3.489 1.842 -10.421 1.00 0.00 C ATOM 363 CG LEU A 23 2.082 1.951 -9.815 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.173 2.016 -8.288 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.371 3.201 -10.343 1.00 0.00 C ATOM 0 H LEU A 23 5.850 1.825 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 23 3.841 3.864 -11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.416 1.479 -11.446 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.069 1.107 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 23 1.510 1.070 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.171 2.093 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.655 1.113 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.758 2.888 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.375 3.265 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.944 4.088 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.287 3.141 -11.428 1.00 0.00 H new ATOM 377 N ILE A 24 5.071 3.945 -8.268 1.00 0.00 N ATOM 378 CA ILE A 24 4.969 4.624 -6.950 1.00 0.00 C ATOM 379 C ILE A 24 5.662 5.989 -7.026 1.00 0.00 C ATOM 380 O ILE A 24 5.130 6.994 -6.598 1.00 0.00 O ATOM 381 CB ILE A 24 5.665 3.661 -5.969 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.762 3.450 -4.752 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.018 4.212 -5.507 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.585 1.952 -4.499 1.00 0.00 C ATOM 0 H ILE A 24 5.982 3.535 -8.474 1.00 0.00 H new ATOM 0 HA ILE A 24 3.945 4.825 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 24 5.842 2.716 -6.483 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.199 3.928 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.792 3.918 -4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.481 3.507 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.667 4.353 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.869 5.168 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.942 1.803 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.129 1.487 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.558 1.497 -4.311 1.00 0.00 H new ATOM 396 N GLU A 25 6.842 6.033 -7.579 1.00 0.00 N ATOM 397 CA GLU A 25 7.552 7.339 -7.690 1.00 0.00 C ATOM 398 C GLU A 25 6.649 8.360 -8.386 1.00 0.00 C ATOM 399 O GLU A 25 6.720 9.546 -8.132 1.00 0.00 O ATOM 400 CB GLU A 25 8.790 7.051 -8.536 1.00 0.00 C ATOM 401 CG GLU A 25 10.039 7.193 -7.669 1.00 0.00 C ATOM 402 CD GLU A 25 10.991 8.207 -8.307 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.756 9.393 -8.146 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.939 7.780 -8.945 1.00 0.00 O ATOM 0 H GLU A 25 7.343 5.228 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 25 7.818 7.753 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.734 6.045 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.838 7.741 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.763 7.518 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.535 6.228 -7.566 1.00 0.00 H new ATOM 411 N ASP A 26 5.796 7.902 -9.261 1.00 0.00 N ATOM 412 CA ASP A 26 4.882 8.836 -9.975 1.00 0.00 C ATOM 413 C ASP A 26 3.690 9.196 -9.080 1.00 0.00 C ATOM 414 O ASP A 26 3.240 10.324 -9.053 1.00 0.00 O ATOM 415 CB ASP A 26 4.428 8.063 -11.218 1.00 0.00 C ATOM 416 CG ASP A 26 3.265 7.131 -10.864 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.410 6.369 -9.924 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.250 7.198 -11.538 1.00 0.00 O ATOM 0 H ASP A 26 5.693 6.919 -9.512 1.00 0.00 H new ATOM 0 HA ASP A 26 5.364 9.777 -10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.121 8.761 -11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.259 7.483 -11.619 1.00 0.00 H new ATOM 423 N THR A 27 3.180 8.243 -8.344 1.00 0.00 N ATOM 424 CA THR A 27 2.026 8.531 -7.451 1.00 0.00 C ATOM 425 C THR A 27 2.438 9.549 -6.391 1.00 0.00 C ATOM 426 O THR A 27 1.837 10.596 -6.254 1.00 0.00 O ATOM 427 CB THR A 27 1.676 7.191 -6.801 1.00 0.00 C ATOM 428 OG1 THR A 27 2.863 6.572 -6.324 1.00 0.00 O ATOM 429 CG2 THR A 27 1.000 6.282 -7.829 1.00 0.00 C ATOM 0 H THR A 27 3.514 7.280 -8.325 1.00 0.00 H new ATOM 0 HA THR A 27 1.176 8.950 -7.991 1.00 0.00 H new ATOM 0 HB THR A 27 0.995 7.360 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.643 7.072 -6.642 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.752 5.328 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.088 6.757 -8.191 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.678 6.112 -8.666 1.00 0.00 H new ATOM 437 N LEU A 28 3.470 9.256 -5.649 1.00 0.00 N ATOM 438 CA LEU A 28 3.930 10.216 -4.608 1.00 0.00 C ATOM 439 C LEU A 28 4.226 11.567 -5.271 1.00 0.00 C ATOM 440 O LEU A 28 4.032 12.612 -4.686 1.00 0.00 O ATOM 441 CB LEU A 28 5.184 9.559 -3.997 1.00 0.00 C ATOM 442 CG LEU A 28 6.416 10.466 -4.117 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.452 10.057 -3.067 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.019 10.315 -5.516 1.00 0.00 C ATOM 0 H LEU A 28 4.013 8.395 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 28 3.193 10.417 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.001 9.332 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.380 8.611 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 28 6.125 11.504 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.328 10.700 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.021 10.159 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.746 9.020 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.895 10.958 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.312 9.277 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.280 10.602 -6.264 1.00 0.00 H new ATOM 456 N CYS A 29 4.681 11.553 -6.493 1.00 0.00 N ATOM 457 CA CYS A 29 4.965 12.839 -7.187 1.00 0.00 C ATOM 458 C CYS A 29 3.751 13.759 -7.060 1.00 0.00 C ATOM 459 O CYS A 29 3.875 14.962 -6.938 1.00 0.00 O ATOM 460 CB CYS A 29 5.198 12.457 -8.649 1.00 0.00 C ATOM 461 SG CYS A 29 6.561 13.440 -9.321 1.00 0.00 S ATOM 0 H CYS A 29 4.868 10.711 -7.038 1.00 0.00 H new ATOM 0 HA CYS A 29 5.822 13.366 -6.768 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.430 11.395 -8.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.291 12.628 -9.229 1.00 0.00 H new ATOM 0 HG CYS A 29 6.760 13.113 -10.563 1.00 0.00 H new ATOM 467 N GLU A 30 2.576 13.193 -7.087 1.00 0.00 N ATOM 468 CA GLU A 30 1.344 14.011 -6.967 1.00 0.00 C ATOM 469 C GLU A 30 0.955 14.170 -5.494 1.00 0.00 C ATOM 470 O GLU A 30 0.441 15.192 -5.086 1.00 0.00 O ATOM 471 CB GLU A 30 0.271 13.223 -7.720 1.00 0.00 C ATOM 472 CG GLU A 30 -1.093 13.877 -7.494 1.00 0.00 C ATOM 473 CD GLU A 30 -2.035 13.499 -8.639 1.00 0.00 C ATOM 474 OE1 GLU A 30 -1.761 12.514 -9.304 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.013 14.203 -8.832 1.00 0.00 O ATOM 0 H GLU A 30 2.419 12.190 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 30 1.474 15.015 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.503 13.198 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.253 12.190 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.511 13.551 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.985 14.960 -7.440 1.00 0.00 H new ATOM 482 N LEU A 31 1.191 13.163 -4.693 1.00 0.00 N ATOM 483 CA LEU A 31 0.828 13.259 -3.249 1.00 0.00 C ATOM 484 C LEU A 31 1.900 14.024 -2.471 1.00 0.00 C ATOM 485 O LEU A 31 1.604 14.773 -1.562 1.00 0.00 O ATOM 486 CB LEU A 31 0.759 11.813 -2.745 1.00 0.00 C ATOM 487 CG LEU A 31 -0.064 10.959 -3.709 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.198 9.544 -3.143 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.454 11.572 -3.876 1.00 0.00 C ATOM 0 H LEU A 31 1.618 12.281 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.114 13.791 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.765 11.404 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.312 11.787 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 31 0.434 10.921 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.785 8.932 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.792 9.105 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.697 9.585 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.040 10.962 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.954 11.610 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.361 12.582 -4.276 1.00 0.00 H new ATOM 501 N GLY A 32 3.146 13.820 -2.799 1.00 0.00 N ATOM 502 CA GLY A 32 4.231 14.513 -2.049 1.00 0.00 C ATOM 503 C GLY A 32 4.537 13.673 -0.815 1.00 0.00 C ATOM 504 O GLY A 32 4.681 14.171 0.282 1.00 0.00 O ATOM 0 H GLY A 32 3.459 13.206 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.120 14.620 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.919 15.517 -1.762 1.00 0.00 H new ATOM 508 N HIS A 33 4.602 12.388 -1.002 1.00 0.00 N ATOM 509 CA HIS A 33 4.863 11.460 0.130 1.00 0.00 C ATOM 510 C HIS A 33 6.369 11.330 0.392 1.00 0.00 C ATOM 511 O HIS A 33 7.176 11.945 -0.276 1.00 0.00 O ATOM 512 CB HIS A 33 4.270 10.140 -0.352 1.00 0.00 C ATOM 513 CG HIS A 33 2.905 9.951 0.254 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.047 8.946 -0.162 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.231 10.636 1.236 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.917 9.051 0.562 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.977 10.064 1.430 1.00 0.00 N ATOM 0 H HIS A 33 4.483 11.933 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 33 4.430 11.798 1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.200 10.136 -1.440 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.922 9.313 -0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.237 8.252 -0.885 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.616 11.489 1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.065 8.396 0.454 1.00 0.00 H new ATOM 525 N GLU A 34 6.758 10.548 1.369 1.00 0.00 N ATOM 526 CA GLU A 34 8.223 10.410 1.667 1.00 0.00 C ATOM 527 C GLU A 34 8.867 9.298 0.820 1.00 0.00 C ATOM 528 O GLU A 34 9.475 9.564 -0.197 1.00 0.00 O ATOM 529 CB GLU A 34 8.306 10.088 3.164 1.00 0.00 C ATOM 530 CG GLU A 34 9.412 10.936 3.800 1.00 0.00 C ATOM 531 CD GLU A 34 9.813 10.334 5.149 1.00 0.00 C ATOM 532 OE1 GLU A 34 8.932 9.885 5.863 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.997 10.334 5.446 1.00 0.00 O ATOM 0 H GLU A 34 6.136 10.005 1.968 1.00 0.00 H new ATOM 0 HA GLU A 34 8.768 11.321 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.350 10.294 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.515 9.028 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.277 10.978 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.065 11.960 3.937 1.00 0.00 H new ATOM 540 N VAL A 35 8.743 8.061 1.222 1.00 0.00 N ATOM 541 CA VAL A 35 9.353 6.951 0.432 1.00 0.00 C ATOM 542 C VAL A 35 8.507 5.680 0.583 1.00 0.00 C ATOM 543 O VAL A 35 8.377 5.136 1.661 1.00 0.00 O ATOM 544 CB VAL A 35 10.739 6.755 1.044 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.615 7.969 0.728 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.607 6.609 2.561 1.00 0.00 C ATOM 0 H VAL A 35 8.245 7.771 2.064 1.00 0.00 H new ATOM 0 HA VAL A 35 9.408 7.172 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 35 11.196 5.858 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.604 7.828 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.708 8.079 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.158 8.866 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.595 6.469 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.150 7.508 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.982 5.746 2.790 1.00 0.00 H new ATOM 556 N ALA A 36 7.918 5.210 -0.485 1.00 0.00 N ATOM 557 CA ALA A 36 7.070 3.991 -0.396 1.00 0.00 C ATOM 558 C ALA A 36 7.912 2.726 -0.583 1.00 0.00 C ATOM 559 O ALA A 36 9.121 2.743 -0.456 1.00 0.00 O ATOM 560 CB ALA A 36 6.062 4.134 -1.542 1.00 0.00 C ATOM 0 H ALA A 36 7.989 5.621 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 36 6.586 3.901 0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.394 3.272 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.479 5.044 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.595 4.187 -2.491 1.00 0.00 H new ATOM 566 N ALA A 37 7.277 1.630 -0.900 1.00 0.00 N ATOM 567 CA ALA A 37 8.031 0.359 -1.114 1.00 0.00 C ATOM 568 C ALA A 37 7.782 -0.131 -2.539 1.00 0.00 C ATOM 569 O ALA A 37 6.751 0.152 -3.121 1.00 0.00 O ATOM 570 CB ALA A 37 7.465 -0.629 -0.095 1.00 0.00 C ATOM 0 H ALA A 37 6.267 1.559 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 37 9.107 0.479 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.974 -1.587 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.618 -0.241 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.398 -0.765 -0.273 1.00 0.00 H new ATOM 576 N THR A 38 8.733 -0.828 -3.113 1.00 0.00 N ATOM 577 CA THR A 38 8.583 -1.300 -4.521 1.00 0.00 C ATOM 578 C THR A 38 8.789 -2.817 -4.650 1.00 0.00 C ATOM 579 O THR A 38 9.507 -3.426 -3.883 1.00 0.00 O ATOM 580 CB THR A 38 9.680 -0.535 -5.267 1.00 0.00 C ATOM 581 OG1 THR A 38 9.224 0.777 -5.561 1.00 0.00 O ATOM 582 CG2 THR A 38 10.040 -1.260 -6.563 1.00 0.00 C ATOM 0 H THR A 38 9.610 -1.090 -2.663 1.00 0.00 H new ATOM 0 HA THR A 38 7.582 -1.119 -4.913 1.00 0.00 H new ATOM 0 HB THR A 38 10.568 -0.480 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.926 1.268 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.821 -0.707 -7.085 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.399 -2.263 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.157 -1.328 -7.199 1.00 0.00 H new ATOM 590 N ALA A 39 8.149 -3.412 -5.638 1.00 0.00 N ATOM 591 CA ALA A 39 8.258 -4.889 -5.863 1.00 0.00 C ATOM 592 C ALA A 39 8.017 -5.613 -4.549 1.00 0.00 C ATOM 593 O ALA A 39 7.989 -5.006 -3.514 1.00 0.00 O ATOM 594 CB ALA A 39 9.677 -5.148 -6.356 1.00 0.00 C ATOM 0 H ALA A 39 7.549 -2.926 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 39 7.525 -5.245 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.811 -6.215 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.846 -4.599 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.391 -4.815 -5.602 1.00 0.00 H new ATOM 600 N SER A 40 7.833 -6.898 -4.569 1.00 0.00 N ATOM 601 CA SER A 40 7.600 -7.612 -3.282 1.00 0.00 C ATOM 602 C SER A 40 8.947 -7.882 -2.608 1.00 0.00 C ATOM 603 O SER A 40 9.846 -8.439 -3.207 1.00 0.00 O ATOM 604 CB SER A 40 6.902 -8.919 -3.650 1.00 0.00 C ATOM 605 OG SER A 40 7.803 -9.749 -4.374 1.00 0.00 O ATOM 0 H SER A 40 7.833 -7.482 -5.406 1.00 0.00 H new ATOM 0 HA SER A 40 6.993 -7.032 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.564 -9.430 -2.748 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.016 -8.714 -4.251 1.00 0.00 H new ATOM 0 HG SER A 40 8.702 -9.359 -4.345 1.00 0.00 H new ATOM 611 N ARG A 41 9.108 -7.477 -1.378 1.00 0.00 N ATOM 612 CA ARG A 41 10.407 -7.700 -0.695 1.00 0.00 C ATOM 613 C ARG A 41 10.199 -7.968 0.795 1.00 0.00 C ATOM 614 O ARG A 41 9.707 -7.130 1.524 1.00 0.00 O ATOM 615 CB ARG A 41 11.179 -6.399 -0.901 1.00 0.00 C ATOM 616 CG ARG A 41 12.678 -6.699 -0.974 1.00 0.00 C ATOM 617 CD ARG A 41 12.991 -7.411 -2.292 1.00 0.00 C ATOM 618 NE ARG A 41 13.486 -8.757 -1.891 1.00 0.00 N ATOM 619 CZ ARG A 41 14.200 -9.463 -2.722 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.990 -9.368 -4.006 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.117 -10.273 -2.268 1.00 0.00 N ATOM 0 H ARG A 41 8.397 -7.003 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 41 10.936 -8.566 -1.093 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.850 -5.910 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.975 -5.709 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.249 -5.773 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.977 -7.323 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.104 -7.487 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.742 -6.868 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 41 13.266 -9.126 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.267 -8.741 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.549 -9.920 -4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.275 -10.353 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.676 -10.826 -2.918 1.00 0.00 H new ATOM 635 N MET A 42 10.580 -9.127 1.253 1.00 0.00 N ATOM 636 CA MET A 42 10.414 -9.450 2.696 1.00 0.00 C ATOM 637 C MET A 42 11.120 -8.395 3.552 1.00 0.00 C ATOM 638 O MET A 42 10.706 -8.098 4.654 1.00 0.00 O ATOM 639 CB MET A 42 11.069 -10.819 2.873 1.00 0.00 C ATOM 640 CG MET A 42 10.228 -11.882 2.161 1.00 0.00 C ATOM 641 SD MET A 42 9.869 -13.236 3.308 1.00 0.00 S ATOM 642 CE MET A 42 10.764 -14.533 2.420 1.00 0.00 C ATOM 0 H MET A 42 11.000 -9.866 0.689 1.00 0.00 H new ATOM 0 HA MET A 42 9.368 -9.461 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.080 -10.806 2.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.156 -11.058 3.933 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.299 -11.443 1.798 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.763 -12.261 1.290 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.673 -15.474 2.962 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.342 -14.648 1.421 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.816 -14.260 2.340 1.00 0.00 H new ATOM 652 N GLN A 43 12.181 -7.820 3.046 1.00 0.00 N ATOM 653 CA GLN A 43 12.906 -6.776 3.826 1.00 0.00 C ATOM 654 C GLN A 43 12.036 -5.523 3.939 1.00 0.00 C ATOM 655 O GLN A 43 11.581 -5.165 5.007 1.00 0.00 O ATOM 656 CB GLN A 43 14.172 -6.485 3.017 1.00 0.00 C ATOM 657 CG GLN A 43 15.268 -5.971 3.951 1.00 0.00 C ATOM 658 CD GLN A 43 16.628 -6.477 3.468 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.736 -7.579 2.968 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.678 -5.714 3.597 1.00 0.00 N ATOM 0 H GLN A 43 12.575 -8.029 2.128 1.00 0.00 H new ATOM 0 HA GLN A 43 13.142 -7.097 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.507 -7.389 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.961 -5.745 2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.260 -4.881 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.082 -6.312 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.588 -4.789 4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.589 -6.043 3.278 1.00 0.00 H new ATOM 669 N GLU A 44 11.792 -4.860 2.842 1.00 0.00 N ATOM 670 CA GLU A 44 10.942 -3.637 2.885 1.00 0.00 C ATOM 671 C GLU A 44 9.557 -3.985 3.431 1.00 0.00 C ATOM 672 O GLU A 44 9.036 -3.318 4.303 1.00 0.00 O ATOM 673 CB GLU A 44 10.838 -3.167 1.434 1.00 0.00 C ATOM 674 CG GLU A 44 12.101 -2.393 1.056 1.00 0.00 C ATOM 675 CD GLU A 44 12.950 -3.229 0.099 1.00 0.00 C ATOM 676 OE1 GLU A 44 12.714 -3.150 -1.096 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.824 -3.933 0.575 1.00 0.00 O ATOM 0 H GLU A 44 12.144 -5.112 1.919 1.00 0.00 H new ATOM 0 HA GLU A 44 11.362 -2.866 3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.712 -4.023 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.960 -2.534 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.832 -1.446 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.674 -2.154 1.952 1.00 0.00 H new ATOM 684 N ALA A 45 8.958 -5.028 2.924 1.00 0.00 N ATOM 685 CA ALA A 45 7.609 -5.418 3.416 1.00 0.00 C ATOM 686 C ALA A 45 7.610 -5.452 4.943 1.00 0.00 C ATOM 687 O ALA A 45 6.854 -4.760 5.589 1.00 0.00 O ATOM 688 CB ALA A 45 7.363 -6.813 2.848 1.00 0.00 C ATOM 0 H ALA A 45 9.344 -5.625 2.192 1.00 0.00 H new ATOM 0 HA ALA A 45 6.833 -4.717 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.384 -7.169 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.396 -6.774 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.133 -7.494 3.210 1.00 0.00 H new ATOM 694 N LEU A 46 8.467 -6.238 5.525 1.00 0.00 N ATOM 695 CA LEU A 46 8.529 -6.300 7.010 1.00 0.00 C ATOM 696 C LEU A 46 8.524 -4.883 7.573 1.00 0.00 C ATOM 697 O LEU A 46 7.832 -4.574 8.521 1.00 0.00 O ATOM 698 CB LEU A 46 9.860 -6.989 7.312 1.00 0.00 C ATOM 699 CG LEU A 46 10.240 -6.761 8.776 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.198 -7.862 9.231 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.927 -5.401 8.920 1.00 0.00 C ATOM 0 H LEU A 46 9.129 -6.842 5.037 1.00 0.00 H new ATOM 0 HA LEU A 46 7.686 -6.832 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.782 -8.057 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.640 -6.597 6.659 1.00 0.00 H new ATOM 0 HG LEU A 46 9.340 -6.782 9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.469 -7.700 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.712 -8.832 9.129 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.097 -7.840 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.198 -5.239 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.826 -5.381 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.247 -4.614 8.595 1.00 0.00 H new ATOM 713 N ASP A 47 9.301 -4.023 6.983 1.00 0.00 N ATOM 714 CA ASP A 47 9.367 -2.613 7.459 1.00 0.00 C ATOM 715 C ASP A 47 7.974 -1.976 7.458 1.00 0.00 C ATOM 716 O ASP A 47 7.639 -1.201 8.330 1.00 0.00 O ATOM 717 CB ASP A 47 10.274 -1.906 6.454 1.00 0.00 C ATOM 718 CG ASP A 47 10.697 -0.547 7.014 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.689 -0.400 8.225 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.020 0.322 6.223 1.00 0.00 O ATOM 0 H ASP A 47 9.899 -4.236 6.185 1.00 0.00 H new ATOM 0 HA ASP A 47 9.743 -2.542 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.154 -2.517 6.250 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.751 -1.774 5.507 1.00 0.00 H new ATOM 725 N ILE A 48 7.157 -2.288 6.486 1.00 0.00 N ATOM 726 CA ILE A 48 5.796 -1.683 6.449 1.00 0.00 C ATOM 727 C ILE A 48 4.990 -2.166 7.660 1.00 0.00 C ATOM 728 O ILE A 48 4.277 -1.411 8.284 1.00 0.00 O ATOM 729 CB ILE A 48 5.147 -2.105 5.101 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.373 -3.424 5.246 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.219 -2.251 4.022 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.107 -4.016 3.853 1.00 0.00 C ATOM 0 H ILE A 48 7.372 -2.930 5.723 1.00 0.00 H new ATOM 0 HA ILE A 48 5.829 -0.595 6.506 1.00 0.00 H new ATOM 0 HB ILE A 48 4.444 -1.325 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.944 -4.129 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.431 -3.250 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.752 -2.547 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.732 -1.299 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.939 -3.012 4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.558 -4.952 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.519 -3.312 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.056 -4.205 3.351 1.00 0.00 H new ATOM 744 N ALA A 49 5.108 -3.409 8.023 1.00 0.00 N ATOM 745 CA ALA A 49 4.343 -3.885 9.204 1.00 0.00 C ATOM 746 C ALA A 49 5.037 -3.444 10.499 1.00 0.00 C ATOM 747 O ALA A 49 4.394 -3.121 11.479 1.00 0.00 O ATOM 748 CB ALA A 49 4.325 -5.409 9.091 1.00 0.00 C ATOM 0 H ALA A 49 5.691 -4.107 7.562 1.00 0.00 H new ATOM 0 HA ALA A 49 3.334 -3.474 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.775 -5.830 9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.840 -5.699 8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.347 -5.787 9.100 1.00 0.00 H new ATOM 754 N ARG A 50 6.344 -3.435 10.511 1.00 0.00 N ATOM 755 CA ARG A 50 7.082 -3.024 11.737 1.00 0.00 C ATOM 756 C ARG A 50 7.140 -1.498 11.849 1.00 0.00 C ATOM 757 O ARG A 50 7.298 -0.953 12.923 1.00 0.00 O ATOM 758 CB ARG A 50 8.489 -3.592 11.557 1.00 0.00 C ATOM 759 CG ARG A 50 8.610 -4.915 12.312 1.00 0.00 C ATOM 760 CD ARG A 50 7.838 -6.001 11.562 1.00 0.00 C ATOM 761 NE ARG A 50 8.274 -7.278 12.190 1.00 0.00 N ATOM 762 CZ ARG A 50 7.447 -8.284 12.264 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.757 -8.641 11.215 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.310 -8.934 13.387 1.00 0.00 N ATOM 0 H ARG A 50 6.933 -3.696 9.720 1.00 0.00 H new ATOM 0 HA ARG A 50 6.599 -3.388 12.643 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.697 -3.746 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.229 -2.882 11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.658 -5.198 12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.217 -4.807 13.323 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.762 -5.860 11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.067 -5.985 10.496 1.00 0.00 H new ATOM 0 HE ARG A 50 9.219 -7.366 12.562 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.864 -8.133 10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.110 -9.428 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.849 -8.655 14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.663 -9.721 13.445 1.00 0.00 H new ATOM 778 N LYS A 51 7.031 -0.805 10.750 1.00 0.00 N ATOM 779 CA LYS A 51 7.097 0.683 10.804 1.00 0.00 C ATOM 780 C LYS A 51 6.048 1.239 11.770 1.00 0.00 C ATOM 781 O LYS A 51 6.340 2.078 12.599 1.00 0.00 O ATOM 782 CB LYS A 51 6.800 1.150 9.379 1.00 0.00 C ATOM 783 CG LYS A 51 6.702 2.675 9.362 1.00 0.00 C ATOM 784 CD LYS A 51 8.101 3.267 9.193 1.00 0.00 C ATOM 785 CE LYS A 51 8.620 3.760 10.545 1.00 0.00 C ATOM 786 NZ LYS A 51 9.323 5.036 10.238 1.00 0.00 N ATOM 0 H LYS A 51 6.900 -1.202 9.820 1.00 0.00 H new ATOM 0 HA LYS A 51 8.068 1.029 11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.587 0.816 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.868 0.709 9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.055 3.001 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.252 3.033 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.777 2.516 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.074 4.092 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.803 3.918 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.296 3.035 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.242 5.052 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.473 5.111 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.745 5.837 10.563 1.00 0.00 H new ATOM 800 N GLY A 52 4.831 0.786 11.670 1.00 0.00 N ATOM 801 CA GLY A 52 3.770 1.300 12.583 1.00 0.00 C ATOM 802 C GLY A 52 3.197 2.610 12.028 1.00 0.00 C ATOM 803 O GLY A 52 2.001 2.827 12.039 1.00 0.00 O ATOM 0 H GLY A 52 4.524 0.083 10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.976 0.560 12.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.183 1.466 13.578 1.00 0.00 H new ATOM 807 N GLN A 53 4.038 3.488 11.547 1.00 0.00 N ATOM 808 CA GLN A 53 3.534 4.781 10.998 1.00 0.00 C ATOM 809 C GLN A 53 3.728 4.846 9.476 1.00 0.00 C ATOM 810 O GLN A 53 3.804 5.913 8.900 1.00 0.00 O ATOM 811 CB GLN A 53 4.360 5.866 11.698 1.00 0.00 C ATOM 812 CG GLN A 53 5.854 5.583 11.536 1.00 0.00 C ATOM 813 CD GLN A 53 6.655 6.737 12.144 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.504 7.311 11.493 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.416 7.106 13.373 1.00 0.00 N ATOM 0 H GLN A 53 5.050 3.366 11.511 1.00 0.00 H new ATOM 0 HA GLN A 53 2.466 4.905 11.175 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.120 6.843 11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.103 5.902 12.757 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.114 4.646 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.102 5.469 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.703 6.624 13.921 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.942 7.876 13.786 1.00 0.00 H new ATOM 824 N PHE A 54 3.792 3.717 8.817 1.00 0.00 N ATOM 825 CA PHE A 54 3.962 3.728 7.330 1.00 0.00 C ATOM 826 C PHE A 54 2.651 4.108 6.635 1.00 0.00 C ATOM 827 O PHE A 54 2.563 4.135 5.424 1.00 0.00 O ATOM 828 CB PHE A 54 4.374 2.306 6.939 1.00 0.00 C ATOM 829 CG PHE A 54 3.243 1.325 7.161 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.146 1.637 7.977 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.313 0.081 6.549 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.129 0.702 8.169 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.302 -0.856 6.743 1.00 0.00 C ATOM 834 CZ PHE A 54 1.205 -0.550 7.550 1.00 0.00 C ATOM 0 H PHE A 54 3.734 2.791 9.241 1.00 0.00 H new ATOM 0 HA PHE A 54 4.709 4.462 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.674 2.287 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.242 2.002 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.089 2.603 8.457 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.156 -0.161 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.283 0.945 8.795 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.367 -1.823 6.267 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.419 -1.276 7.696 1.00 0.00 H new ATOM 844 N ASP A 55 1.635 4.410 7.388 1.00 0.00 N ATOM 845 CA ASP A 55 0.336 4.797 6.778 1.00 0.00 C ATOM 846 C ASP A 55 -0.315 3.622 6.040 1.00 0.00 C ATOM 847 O ASP A 55 -1.374 3.181 6.417 1.00 0.00 O ATOM 848 CB ASP A 55 0.663 5.919 5.792 1.00 0.00 C ATOM 849 CG ASP A 55 -0.072 7.192 6.212 1.00 0.00 C ATOM 850 OD1 ASP A 55 -1.258 7.281 5.943 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.563 8.056 6.793 1.00 0.00 O ATOM 0 H ASP A 55 1.648 4.405 8.408 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.373 5.111 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.738 6.097 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.367 5.630 4.784 1.00 0.00 H new ATOM 856 N ILE A 56 0.282 3.139 4.972 1.00 0.00 N ATOM 857 CA ILE A 56 -0.365 2.022 4.199 1.00 0.00 C ATOM 858 C ILE A 56 0.643 0.933 3.768 1.00 0.00 C ATOM 859 O ILE A 56 1.838 1.149 3.758 1.00 0.00 O ATOM 860 CB ILE A 56 -0.939 2.736 2.971 1.00 0.00 C ATOM 861 CG1 ILE A 56 -2.053 3.686 3.412 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.497 1.716 1.979 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.702 4.315 2.180 1.00 0.00 C ATOM 0 H ILE A 56 1.177 3.463 4.605 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.109 1.493 4.795 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.145 3.302 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.799 3.144 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.648 4.463 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.902 2.236 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.700 1.045 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.288 1.138 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.496 4.992 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.952 4.871 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.121 3.531 1.549 1.00 0.00 H new ATOM 875 N ALA A 57 0.153 -0.240 3.401 1.00 0.00 N ATOM 876 CA ALA A 57 1.067 -1.349 2.957 1.00 0.00 C ATOM 877 C ALA A 57 0.313 -2.313 2.038 1.00 0.00 C ATOM 878 O ALA A 57 -0.774 -2.746 2.361 1.00 0.00 O ATOM 879 CB ALA A 57 1.465 -2.073 4.235 1.00 0.00 C ATOM 0 H ALA A 57 -0.840 -0.473 3.391 1.00 0.00 H new ATOM 0 HA ALA A 57 1.929 -0.970 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.134 -2.898 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.973 -1.378 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.573 -2.462 4.726 1.00 0.00 H new ATOM 885 N ILE A 58 0.854 -2.666 0.901 1.00 0.00 N ATOM 886 CA ILE A 58 0.095 -3.602 0.023 1.00 0.00 C ATOM 887 C ILE A 58 0.973 -4.679 -0.616 1.00 0.00 C ATOM 888 O ILE A 58 1.509 -4.502 -1.692 1.00 0.00 O ATOM 889 CB ILE A 58 -0.507 -2.732 -1.077 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.383 -1.651 -0.456 1.00 0.00 C ATOM 891 CG2 ILE A 58 -1.358 -3.599 -2.007 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.494 -0.521 0.047 1.00 0.00 C ATOM 0 H ILE A 58 1.761 -2.358 0.551 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.648 -4.135 0.616 1.00 0.00 H new ATOM 0 HB ILE A 58 0.298 -2.265 -1.645 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.093 -1.273 -1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.967 -2.065 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.788 -2.977 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.734 -4.371 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.160 -4.067 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.113 0.258 0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.198 -0.908 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.070 -0.103 -0.787 1.00 0.00 H new ATOM 904 N ILE A 59 1.051 -5.821 0.000 1.00 0.00 N ATOM 905 CA ILE A 59 1.806 -6.945 -0.609 1.00 0.00 C ATOM 906 C ILE A 59 0.850 -7.646 -1.572 1.00 0.00 C ATOM 907 O ILE A 59 0.396 -8.749 -1.340 1.00 0.00 O ATOM 908 CB ILE A 59 2.193 -7.852 0.551 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.374 -7.231 1.301 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.604 -9.214 0.002 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.967 -6.927 2.743 1.00 0.00 C ATOM 0 H ILE A 59 0.623 -6.025 0.903 1.00 0.00 H new ATOM 0 HA ILE A 59 2.698 -6.643 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 59 1.348 -7.968 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.224 -7.913 1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.693 -6.316 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.883 -9.870 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.769 -9.653 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.454 -9.094 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.810 -6.485 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.130 -6.228 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.670 -7.851 3.240 1.00 0.00 H new ATOM 923 N ASP A 60 0.510 -6.967 -2.633 1.00 0.00 N ATOM 924 CA ASP A 60 -0.462 -7.518 -3.623 1.00 0.00 C ATOM 925 C ASP A 60 -0.035 -8.905 -4.107 1.00 0.00 C ATOM 926 O ASP A 60 1.030 -9.395 -3.787 1.00 0.00 O ATOM 927 CB ASP A 60 -0.471 -6.483 -4.766 1.00 0.00 C ATOM 928 CG ASP A 60 -0.149 -7.139 -6.117 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.002 -7.485 -6.328 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.061 -7.283 -6.914 1.00 0.00 O ATOM 0 H ASP A 60 0.869 -6.040 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.456 -7.662 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.448 -6.003 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.258 -5.701 -4.556 1.00 0.00 H new ATOM 935 N VAL A 61 -0.871 -9.529 -4.887 1.00 0.00 N ATOM 936 CA VAL A 61 -0.543 -10.876 -5.413 1.00 0.00 C ATOM 937 C VAL A 61 -0.473 -11.886 -4.258 1.00 0.00 C ATOM 938 O VAL A 61 0.498 -11.971 -3.532 1.00 0.00 O ATOM 939 CB VAL A 61 0.794 -10.681 -6.149 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.892 -11.603 -5.595 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.591 -10.985 -7.637 1.00 0.00 C ATOM 0 H VAL A 61 -1.774 -9.158 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.292 -11.284 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 61 1.114 -9.650 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.819 -11.434 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.049 -11.387 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.587 -12.643 -5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.533 -10.850 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.253 -12.014 -7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.158 -10.308 -8.048 1.00 0.00 H new ATOM 951 N ASN A 62 -1.516 -12.649 -4.092 1.00 0.00 N ATOM 952 CA ASN A 62 -1.553 -13.665 -3.006 1.00 0.00 C ATOM 953 C ASN A 62 -1.889 -15.021 -3.625 1.00 0.00 C ATOM 954 O ASN A 62 -2.402 -15.915 -2.980 1.00 0.00 O ATOM 955 CB ASN A 62 -2.663 -13.199 -2.066 1.00 0.00 C ATOM 956 CG ASN A 62 -2.044 -12.585 -0.809 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.412 -11.447 -0.898 1.00 0.00 O flip ATOM 958 ND2 ASN A 62 -2.136 -13.147 0.263 1.00 0.00 N flip ATOM 0 H ASN A 62 -2.355 -12.611 -4.671 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.608 -13.768 -2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.295 -12.466 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.302 -14.040 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.630 -14.037 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.719 -12.730 1.095 1.00 0.00 H new ATOM 965 N LEU A 63 -1.585 -15.165 -4.883 1.00 0.00 N ATOM 966 CA LEU A 63 -1.850 -16.438 -5.600 1.00 0.00 C ATOM 967 C LEU A 63 -0.662 -16.719 -6.512 1.00 0.00 C ATOM 968 O LEU A 63 0.356 -16.062 -6.421 1.00 0.00 O ATOM 969 CB LEU A 63 -3.119 -16.187 -6.418 1.00 0.00 C ATOM 970 CG LEU A 63 -2.892 -15.010 -7.370 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.866 -15.103 -8.548 1.00 0.00 C ATOM 972 CD2 LEU A 63 -3.129 -13.698 -6.619 1.00 0.00 C ATOM 0 H LEU A 63 -1.155 -14.438 -5.455 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.982 -17.293 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.381 -17.081 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.956 -15.974 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.869 -15.040 -7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.701 -14.263 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.701 -16.038 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.890 -15.074 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.968 -12.858 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.153 -13.672 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.435 -13.628 -5.781 1.00 0.00 H new ATOM 984 N ASP A 64 -0.762 -17.675 -7.386 1.00 0.00 N ATOM 985 CA ASP A 64 0.396 -17.958 -8.275 1.00 0.00 C ATOM 986 C ASP A 64 1.672 -18.002 -7.434 1.00 0.00 C ATOM 987 O ASP A 64 2.758 -17.732 -7.908 1.00 0.00 O ATOM 988 CB ASP A 64 0.443 -16.778 -9.245 1.00 0.00 C ATOM 989 CG ASP A 64 -0.084 -17.220 -10.610 1.00 0.00 C ATOM 990 OD1 ASP A 64 0.041 -18.393 -10.920 1.00 0.00 O ATOM 991 OD2 ASP A 64 -0.600 -16.377 -11.324 1.00 0.00 O ATOM 0 H ASP A 64 -1.582 -18.266 -7.524 1.00 0.00 H new ATOM 0 HA ASP A 64 0.308 -18.910 -8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.158 -15.953 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.465 -16.411 -9.339 1.00 0.00 H new ATOM 996 N GLY A 65 1.540 -18.323 -6.178 1.00 0.00 N ATOM 997 CA GLY A 65 2.728 -18.368 -5.289 1.00 0.00 C ATOM 998 C GLY A 65 2.370 -17.729 -3.951 1.00 0.00 C ATOM 999 O GLY A 65 2.993 -17.983 -2.940 1.00 0.00 O ATOM 0 H GLY A 65 0.655 -18.557 -5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.048 -19.399 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.562 -17.838 -5.748 1.00 0.00 H new ATOM 1003 N GLU A 66 1.365 -16.898 -3.942 1.00 0.00 N ATOM 1004 CA GLU A 66 0.957 -16.234 -2.677 1.00 0.00 C ATOM 1005 C GLU A 66 2.188 -15.705 -1.941 1.00 0.00 C ATOM 1006 O GLU A 66 2.391 -15.990 -0.777 1.00 0.00 O ATOM 1007 CB GLU A 66 0.258 -17.324 -1.863 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.744 -16.681 -0.903 1.00 0.00 C ATOM 1009 CD GLU A 66 -0.293 -16.919 0.539 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.182 -18.008 0.819 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -0.429 -16.009 1.339 1.00 0.00 O ATOM 0 H GLU A 66 0.808 -16.651 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 66 0.303 -15.379 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.255 -18.018 -2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.993 -17.903 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.818 -15.612 -1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.736 -17.104 -1.059 1.00 0.00 H new ATOM 1018 N PRO A 67 2.969 -14.940 -2.656 1.00 0.00 N ATOM 1019 CA PRO A 67 4.198 -14.351 -2.078 1.00 0.00 C ATOM 1020 C PRO A 67 3.838 -13.185 -1.150 1.00 0.00 C ATOM 1021 O PRO A 67 4.196 -12.050 -1.396 1.00 0.00 O ATOM 1022 CB PRO A 67 4.969 -13.859 -3.301 1.00 0.00 C ATOM 1023 CG PRO A 67 3.931 -13.631 -4.354 1.00 0.00 C ATOM 1024 CD PRO A 67 2.779 -14.560 -4.061 1.00 0.00 C ATOM 0 HA PRO A 67 4.773 -15.054 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.514 -12.941 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.704 -14.596 -3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.598 -12.593 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.340 -13.828 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.820 -14.065 -4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.795 -15.432 -4.715 1.00 0.00 H new ATOM 1032 N SER A 68 3.131 -13.457 -0.086 1.00 0.00 N ATOM 1033 CA SER A 68 2.750 -12.365 0.855 1.00 0.00 C ATOM 1034 C SER A 68 3.358 -12.620 2.235 1.00 0.00 C ATOM 1035 O SER A 68 3.188 -11.839 3.152 1.00 0.00 O ATOM 1036 CB SER A 68 1.225 -12.405 0.919 1.00 0.00 C ATOM 1037 OG SER A 68 0.815 -13.543 1.665 1.00 0.00 O ATOM 0 H SER A 68 2.801 -14.387 0.172 1.00 0.00 H new ATOM 0 HA SER A 68 3.114 -11.392 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.845 -11.495 1.384 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.808 -12.446 -0.087 1.00 0.00 H new ATOM 0 HG SER A 68 0.378 -14.185 1.068 1.00 0.00 H new ATOM 1043 N TYR A 69 4.080 -13.704 2.375 1.00 0.00 N ATOM 1044 CA TYR A 69 4.728 -14.052 3.676 1.00 0.00 C ATOM 1045 C TYR A 69 3.740 -13.882 4.836 1.00 0.00 C ATOM 1046 O TYR A 69 2.627 -13.418 4.661 1.00 0.00 O ATOM 1047 CB TYR A 69 5.956 -13.125 3.844 1.00 0.00 C ATOM 1048 CG TYR A 69 5.931 -11.978 2.856 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.144 -12.212 1.491 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.677 -10.684 3.310 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.104 -11.144 0.584 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.638 -9.618 2.407 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.850 -9.847 1.044 1.00 0.00 C ATOM 1054 OH TYR A 69 5.812 -8.792 0.153 1.00 0.00 O ATOM 0 H TYR A 69 4.250 -14.375 1.626 1.00 0.00 H new ATOM 0 HA TYR A 69 5.043 -15.095 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.978 -12.730 4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.870 -13.703 3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.339 -13.214 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.510 -10.505 4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.269 -11.322 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.444 -8.617 2.762 1.00 0.00 H new ATOM 0 HH TYR A 69 5.742 -9.138 -0.761 1.00 0.00 H new ATOM 1064 N PRO A 70 4.183 -14.288 5.990 1.00 0.00 N ATOM 1065 CA PRO A 70 3.336 -14.203 7.199 1.00 0.00 C ATOM 1066 C PRO A 70 3.149 -12.744 7.616 1.00 0.00 C ATOM 1067 O PRO A 70 2.367 -12.440 8.488 1.00 0.00 O ATOM 1068 CB PRO A 70 4.123 -14.987 8.247 1.00 0.00 C ATOM 1069 CG PRO A 70 5.542 -14.931 7.782 1.00 0.00 C ATOM 1070 CD PRO A 70 5.503 -14.859 6.278 1.00 0.00 C ATOM 0 HA PRO A 70 2.332 -14.602 7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.014 -14.544 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.771 -16.016 8.318 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.051 -14.062 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.093 -15.812 8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.304 -14.232 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.620 -15.844 5.827 1.00 0.00 H new ATOM 1078 N VAL A 71 3.840 -11.828 6.992 1.00 0.00 N ATOM 1079 CA VAL A 71 3.652 -10.402 7.378 1.00 0.00 C ATOM 1080 C VAL A 71 2.350 -9.888 6.773 1.00 0.00 C ATOM 1081 O VAL A 71 1.402 -9.601 7.469 1.00 0.00 O ATOM 1082 CB VAL A 71 4.841 -9.643 6.801 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.781 -8.183 7.252 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.143 -10.271 7.294 1.00 0.00 C ATOM 0 H VAL A 71 4.514 -12.001 6.246 1.00 0.00 H new ATOM 0 HA VAL A 71 3.597 -10.274 8.459 1.00 0.00 H new ATOM 0 HB VAL A 71 4.805 -9.693 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.631 -7.640 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.855 -7.731 6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.814 -8.137 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.990 -9.725 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.180 -10.225 8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.189 -11.312 6.973 1.00 0.00 H new ATOM 1094 N ALA A 72 2.289 -9.794 5.474 1.00 0.00 N ATOM 1095 CA ALA A 72 1.038 -9.324 4.826 1.00 0.00 C ATOM 1096 C ALA A 72 -0.149 -10.038 5.453 1.00 0.00 C ATOM 1097 O ALA A 72 -1.069 -9.422 5.953 1.00 0.00 O ATOM 1098 CB ALA A 72 1.182 -9.735 3.370 1.00 0.00 C ATOM 0 H ALA A 72 3.051 -10.022 4.836 1.00 0.00 H new ATOM 0 HA ALA A 72 0.879 -8.251 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.297 -9.425 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.064 -9.258 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.289 -10.818 3.306 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.129 -11.341 5.441 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.253 -12.090 6.052 1.00 0.00 C ATOM 1106 C ASP A 73 -1.488 -11.580 7.471 1.00 0.00 C ATOM 1107 O ASP A 73 -2.576 -11.174 7.827 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.794 -13.539 6.067 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.258 -14.236 4.786 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.373 -13.976 4.364 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.491 -15.017 4.249 1.00 0.00 O ATOM 0 H ASP A 73 0.612 -11.913 5.037 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.189 -11.972 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.292 -13.586 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.200 -14.051 6.939 1.00 0.00 H new ATOM 1116 N ILE A 74 -0.464 -11.580 8.278 1.00 0.00 N ATOM 1117 CA ILE A 74 -0.619 -11.073 9.670 1.00 0.00 C ATOM 1118 C ILE A 74 -1.121 -9.634 9.618 1.00 0.00 C ATOM 1119 O ILE A 74 -2.082 -9.270 10.267 1.00 0.00 O ATOM 1120 CB ILE A 74 0.782 -11.125 10.284 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.115 -12.565 10.684 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.830 -10.238 11.528 1.00 0.00 C ATOM 1123 CD1 ILE A 74 2.576 -12.647 11.131 1.00 0.00 C ATOM 0 H ILE A 74 0.471 -11.908 8.035 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.329 -11.659 10.254 1.00 0.00 H new ATOM 0 HB ILE A 74 1.507 -10.770 9.551 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.458 -12.890 11.491 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.943 -13.236 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.828 -10.276 11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.594 -9.210 11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.102 -10.594 12.257 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.812 -13.672 11.416 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.225 -12.339 10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.733 -11.988 11.985 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.487 -8.815 8.828 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.935 -7.407 8.711 1.00 0.00 C ATOM 1137 C LEU A 75 -2.409 -7.405 8.308 1.00 0.00 C ATOM 1138 O LEU A 75 -3.132 -6.456 8.535 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.048 -6.815 7.614 1.00 0.00 C ATOM 1140 CG LEU A 75 0.147 -5.315 7.848 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.430 -5.079 8.652 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.267 -4.614 6.495 1.00 0.00 C ATOM 0 H LEU A 75 0.322 -9.063 8.259 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.851 -6.832 9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.919 -7.318 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.503 -6.983 6.638 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.704 -4.919 8.402 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.565 -4.010 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.356 -5.587 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.283 -5.472 8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.406 -3.544 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.122 -5.016 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.642 -4.781 5.917 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.856 -8.488 7.727 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.278 -8.596 7.319 1.00 0.00 C ATOM 1156 C ALA A 76 -5.080 -9.293 8.423 1.00 0.00 C ATOM 1157 O ALA A 76 -6.259 -9.055 8.592 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.267 -9.443 6.047 1.00 0.00 C ATOM 0 H ALA A 76 -2.286 -9.308 7.518 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.738 -7.623 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.287 -9.567 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.668 -8.946 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.838 -10.421 6.265 1.00 0.00 H new ATOM 1164 N GLU A 77 -4.447 -10.150 9.180 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.175 -10.848 10.274 1.00 0.00 C ATOM 1166 C GLU A 77 -5.413 -9.871 11.433 1.00 0.00 C ATOM 1167 O GLU A 77 -6.325 -10.029 12.220 1.00 0.00 O ATOM 1168 CB GLU A 77 -4.267 -12.021 10.685 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.352 -11.620 11.849 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.337 -12.736 12.105 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.295 -13.663 11.314 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -1.622 -12.645 13.089 1.00 0.00 O ATOM 0 H GLU A 77 -3.461 -10.395 9.087 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.156 -11.213 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.878 -12.876 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.663 -12.335 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.835 -10.689 11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.944 -11.439 12.746 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.599 -8.854 11.529 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.772 -7.854 12.612 1.00 0.00 C ATOM 1181 C ARG A 78 -5.180 -6.511 11.998 1.00 0.00 C ATOM 1182 O ARG A 78 -5.920 -5.747 12.582 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.406 -7.754 13.298 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.373 -7.186 12.322 1.00 0.00 C ATOM 1185 CD ARG A 78 -1.015 -7.842 12.577 1.00 0.00 C ATOM 1186 NE ARG A 78 -0.284 -6.891 13.458 1.00 0.00 N ATOM 1187 CZ ARG A 78 0.982 -6.649 13.249 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.349 -5.926 12.227 1.00 0.00 N ATOM 1189 NH2 ARG A 78 1.882 -7.133 14.060 1.00 0.00 N ATOM 0 H ARG A 78 -3.818 -8.675 10.898 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.547 -8.134 13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.477 -7.115 14.178 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.090 -8.738 13.643 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.689 -7.368 11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.296 -6.106 12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.131 -8.814 13.056 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.476 -8.009 11.644 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.772 -6.428 14.225 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.647 -5.549 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.338 -5.737 12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.597 -7.701 14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.871 -6.944 13.896 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.720 -6.251 10.801 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.074 -4.993 10.086 1.00 0.00 C ATOM 1205 C ASN A 79 -4.812 -3.736 10.933 1.00 0.00 C ATOM 1206 O ASN A 79 -5.209 -3.628 12.075 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.559 -5.137 9.776 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.828 -6.514 9.166 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.492 -6.743 7.928 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 -7.352 -7.390 9.824 1.00 0.00 N flip ATOM 0 H ASN A 79 -4.101 -6.873 10.280 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.463 -4.862 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.144 -5.012 10.687 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.873 -4.355 9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.615 -7.212 10.793 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.529 -8.304 9.408 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.151 -2.780 10.344 1.00 0.00 N ATOM 1218 CA VAL A 80 -3.841 -1.494 11.038 1.00 0.00 C ATOM 1219 C VAL A 80 -4.226 -0.353 10.070 1.00 0.00 C ATOM 1220 O VAL A 80 -4.711 -0.636 8.993 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.320 -1.600 11.296 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.523 -0.730 10.315 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.004 -1.181 12.735 1.00 0.00 C ATOM 0 H VAL A 80 -3.803 -2.836 9.387 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.372 -1.301 11.970 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.025 -2.638 11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.458 -0.828 10.524 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.724 -1.055 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.821 0.312 10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.931 -1.258 12.909 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.324 -0.151 12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.532 -1.835 13.429 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.999 0.896 10.427 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.346 1.989 9.482 1.00 0.00 C ATOM 1235 C PRO A 81 -3.524 1.778 8.220 1.00 0.00 C ATOM 1236 O PRO A 81 -2.312 1.737 8.268 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.959 3.258 10.235 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.951 2.796 11.231 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.410 1.425 11.660 1.00 0.00 C ATOM 0 HA PRO A 81 -5.392 2.032 9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.541 4.008 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.822 3.711 10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.954 2.757 10.792 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.898 3.476 12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.582 0.810 12.012 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.137 1.474 12.470 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.175 1.595 7.102 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.423 1.308 5.843 1.00 0.00 C ATOM 1249 C PHE A 82 -4.372 0.963 4.701 1.00 0.00 C ATOM 1250 O PHE A 82 -5.499 1.405 4.637 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.587 0.060 6.165 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.474 -1.175 6.246 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.861 -1.065 6.470 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.894 -2.439 6.119 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.651 -2.215 6.567 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.689 -3.589 6.211 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.065 -3.477 6.437 1.00 0.00 C ATOM 0 H PHE A 82 -5.190 1.631 7.005 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.831 2.170 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.826 -0.082 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.064 0.201 7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.315 -0.090 6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.831 -2.530 5.950 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.713 -2.128 6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.238 -4.565 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.674 -4.366 6.511 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.907 0.124 3.829 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.721 -0.340 2.690 1.00 0.00 C ATOM 1269 C ILE A 83 -4.038 -1.587 2.143 1.00 0.00 C ATOM 1270 O ILE A 83 -2.836 -1.739 2.270 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.693 0.812 1.698 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -6.008 1.589 1.777 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.496 0.292 0.266 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -7.181 0.622 1.618 1.00 0.00 C ATOM 0 H ILE A 83 -2.967 -0.270 3.863 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.752 -0.597 2.932 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.859 1.466 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.079 2.109 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.041 2.349 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.479 1.133 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.552 -0.250 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.317 -0.376 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.119 1.175 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.112 0.122 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.150 -0.122 2.414 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.778 -2.479 1.560 1.00 0.00 N ATOM 1287 CA PHE A 84 -4.152 -3.720 1.034 1.00 0.00 C ATOM 1288 C PHE A 84 -5.014 -4.310 -0.078 1.00 0.00 C ATOM 1289 O PHE A 84 -6.211 -4.093 -0.141 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.127 -4.651 2.245 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.180 -5.823 2.041 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.287 -5.855 0.962 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.205 -6.893 2.948 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.433 -6.952 0.791 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -2.346 -7.988 2.774 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.464 -8.017 1.695 1.00 0.00 C ATOM 0 H PHE A 84 -5.786 -2.406 1.424 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.162 -3.556 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.824 -4.089 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.133 -5.026 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.257 -5.033 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.889 -6.873 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.748 -6.975 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.368 -8.809 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.805 -8.862 1.558 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.421 -5.062 -0.952 1.00 0.00 N ATOM 1307 CA ALA A 85 -5.201 -5.676 -2.038 1.00 0.00 C ATOM 1308 C ALA A 85 -4.421 -6.846 -2.620 1.00 0.00 C ATOM 1309 O ALA A 85 -3.244 -6.742 -2.865 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.387 -4.569 -3.073 1.00 0.00 C ATOM 0 H ALA A 85 -3.424 -5.276 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.162 -6.066 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.962 -4.952 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.920 -3.733 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.412 -4.230 -3.423 1.00 0.00 H new ATOM 1316 N THR A 86 -5.065 -7.961 -2.830 1.00 0.00 N ATOM 1317 CA THR A 86 -4.343 -9.149 -3.379 1.00 0.00 C ATOM 1318 C THR A 86 -5.314 -10.055 -4.146 1.00 0.00 C ATOM 1319 O THR A 86 -5.988 -9.622 -5.059 1.00 0.00 O ATOM 1320 CB THR A 86 -3.805 -9.877 -2.145 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.880 -10.527 -1.482 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.140 -8.880 -1.197 1.00 0.00 C ATOM 0 H THR A 86 -6.058 -8.103 -2.646 1.00 0.00 H new ATOM 0 HA THR A 86 -3.553 -8.868 -4.075 1.00 0.00 H new ATOM 0 HB THR A 86 -3.064 -10.615 -2.454 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.279 -9.915 -0.829 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.760 -9.408 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.314 -8.386 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.870 -8.134 -0.883 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.397 -11.311 -3.779 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.325 -12.230 -4.482 1.00 0.00 C ATOM 1332 C GLY A 87 -7.637 -12.308 -3.705 1.00 0.00 C ATOM 1333 O GLY A 87 -8.691 -12.509 -4.277 1.00 0.00 O ATOM 0 H GLY A 87 -4.859 -11.733 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.509 -11.875 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.879 -13.221 -4.568 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.594 -12.149 -2.405 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.864 -12.218 -1.630 1.00 0.00 C ATOM 1339 C TYR A 88 -9.743 -11.012 -1.959 1.00 0.00 C ATOM 1340 O TYR A 88 -10.933 -11.016 -1.715 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.494 -12.239 -0.133 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.336 -11.310 0.197 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.344 -9.971 -0.216 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.262 -11.794 0.956 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.286 -9.124 0.121 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.206 -10.943 1.297 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.218 -9.609 0.878 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.180 -8.770 1.217 1.00 0.00 O ATOM 0 H TYR A 88 -6.750 -11.978 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.428 -13.115 -1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.365 -11.952 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.233 -13.256 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.172 -9.592 -0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.250 -12.825 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.294 -8.094 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.380 -11.316 1.885 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.144 -8.672 2.191 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.169 -9.974 -2.507 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.981 -8.767 -2.845 1.00 0.00 C ATOM 1360 C GLY A 89 -10.307 -7.956 -1.576 1.00 0.00 C ATOM 1361 O GLY A 89 -10.707 -6.811 -1.657 1.00 0.00 O ATOM 0 H GLY A 89 -8.177 -9.909 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.435 -8.142 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.906 -9.071 -3.336 1.00 0.00 H new ATOM 1365 N SER A 90 -10.139 -8.533 -0.407 1.00 0.00 N ATOM 1366 CA SER A 90 -10.437 -7.797 0.861 1.00 0.00 C ATOM 1367 C SER A 90 -10.548 -8.773 2.037 1.00 0.00 C ATOM 1368 O SER A 90 -9.761 -8.729 2.960 1.00 0.00 O ATOM 1369 CB SER A 90 -11.785 -7.109 0.632 1.00 0.00 C ATOM 1370 OG SER A 90 -12.561 -7.191 1.821 1.00 0.00 O ATOM 0 H SER A 90 -9.806 -9.489 -0.279 1.00 0.00 H new ATOM 0 HA SER A 90 -9.647 -7.085 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.632 -6.066 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.313 -7.584 -0.195 1.00 0.00 H new ATOM 0 HG SER A 90 -13.425 -6.750 1.679 1.00 0.00 H new ATOM 1376 N LYS A 91 -11.537 -9.637 2.008 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.752 -10.629 3.118 1.00 0.00 C ATOM 1378 C LYS A 91 -12.514 -9.975 4.285 1.00 0.00 C ATOM 1379 O LYS A 91 -13.333 -10.598 4.930 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.346 -11.110 3.551 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.957 -10.510 4.914 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.503 -10.859 5.244 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.199 -10.457 6.692 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.657 -11.690 7.326 1.00 0.00 N ATOM 0 H LYS A 91 -12.217 -9.699 1.250 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.359 -11.473 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.332 -12.198 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.611 -10.822 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.084 -9.428 4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.617 -10.894 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.334 -11.927 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.829 -10.341 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.477 -9.642 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.098 -10.112 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.568 -11.543 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.302 -12.486 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.722 -11.905 6.924 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.237 -8.732 4.563 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.924 -8.037 5.688 1.00 0.00 C ATOM 1400 C GLY A 92 -11.890 -7.201 6.442 1.00 0.00 C ATOM 1401 O GLY A 92 -11.879 -7.144 7.655 1.00 0.00 O ATOM 0 H GLY A 92 -11.559 -8.163 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.723 -7.400 5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.386 -8.763 6.357 1.00 0.00 H new ATOM 1405 N LEU A 93 -11.015 -6.560 5.718 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.961 -5.728 6.360 1.00 0.00 C ATOM 1407 C LEU A 93 -10.598 -4.577 7.147 1.00 0.00 C ATOM 1408 O LEU A 93 -11.546 -3.962 6.705 1.00 0.00 O ATOM 1409 CB LEU A 93 -9.130 -5.211 5.177 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.489 -3.863 5.508 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.304 -3.631 4.571 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.516 -2.746 5.311 1.00 0.00 C ATOM 0 H LEU A 93 -10.986 -6.578 4.699 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.354 -6.279 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.355 -5.935 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.766 -5.110 4.298 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.148 -3.863 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.841 -2.671 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.573 -4.428 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.652 -3.628 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.058 -1.785 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.855 -2.742 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.367 -2.914 5.970 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.077 -4.281 8.307 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.643 -3.164 9.118 1.00 0.00 C ATOM 1426 C ASP A 94 -9.662 -1.988 9.113 1.00 0.00 C ATOM 1427 O ASP A 94 -8.473 -2.170 8.945 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.839 -3.744 10.530 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.587 -3.532 11.388 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.506 -3.502 10.829 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.733 -3.400 12.593 1.00 0.00 O ATOM 0 H ASP A 94 -9.284 -4.764 8.729 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.587 -2.786 8.726 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.696 -3.268 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.062 -4.809 10.462 1.00 0.00 H new ATOM 1436 N THR A 95 -10.139 -0.787 9.283 1.00 0.00 N ATOM 1437 CA THR A 95 -9.207 0.375 9.272 1.00 0.00 C ATOM 1438 C THR A 95 -9.972 1.685 9.428 1.00 0.00 C ATOM 1439 O THR A 95 -11.141 1.777 9.112 1.00 0.00 O ATOM 1440 CB THR A 95 -8.544 0.324 7.896 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.786 1.502 7.682 1.00 0.00 O ATOM 1442 CG2 THR A 95 -9.624 0.199 6.821 1.00 0.00 C ATOM 0 H THR A 95 -11.123 -0.560 9.428 1.00 0.00 H new ATOM 0 HA THR A 95 -8.489 0.328 10.091 1.00 0.00 H new ATOM 0 HB THR A 95 -7.878 -0.537 7.845 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.363 1.463 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.156 0.162 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.196 -0.714 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.291 1.060 6.873 1.00 0.00 H new ATOM 1450 N ARG A 96 -9.307 2.709 9.885 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.984 4.023 10.028 1.00 0.00 C ATOM 1452 C ARG A 96 -10.514 4.449 8.666 1.00 0.00 C ATOM 1453 O ARG A 96 -11.350 5.324 8.550 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.893 4.985 10.490 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.454 4.619 11.906 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.944 4.807 12.025 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.724 6.271 11.856 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.893 6.902 12.641 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.316 7.407 13.767 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.641 7.029 12.298 1.00 0.00 N ATOM 0 H ARG A 96 -8.326 2.691 10.165 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.820 3.997 10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.042 4.939 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.264 6.010 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.969 5.246 12.633 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.723 3.586 12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.578 4.462 12.992 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.414 4.237 11.262 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.223 6.781 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.296 7.309 14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.667 7.900 14.381 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.311 6.635 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.992 7.522 12.911 1.00 0.00 H new ATOM 1474 N TYR A 97 -10.016 3.836 7.626 1.00 0.00 N ATOM 1475 CA TYR A 97 -10.471 4.204 6.260 1.00 0.00 C ATOM 1476 C TYR A 97 -11.950 3.847 6.087 1.00 0.00 C ATOM 1477 O TYR A 97 -12.659 4.505 5.354 1.00 0.00 O ATOM 1478 CB TYR A 97 -9.594 3.378 5.311 1.00 0.00 C ATOM 1479 CG TYR A 97 -8.164 3.883 5.341 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -7.746 4.802 6.319 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -7.250 3.430 4.381 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -6.425 5.261 6.331 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.928 3.892 4.397 1.00 0.00 C ATOM 1484 CZ TYR A 97 -5.517 4.807 5.371 1.00 0.00 C ATOM 1485 OH TYR A 97 -4.214 5.259 5.385 1.00 0.00 O ATOM 0 H TYR A 97 -9.314 3.097 7.666 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.379 5.272 6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.622 2.328 5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.987 3.439 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.446 5.154 7.062 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.565 2.723 3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.106 5.967 7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.225 3.541 3.656 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.153 6.098 4.882 1.00 0.00 H new ATOM 1495 N SER A 98 -12.402 2.810 6.767 1.00 0.00 N ATOM 1496 CA SER A 98 -13.834 2.351 6.685 1.00 0.00 C ATOM 1497 C SER A 98 -13.995 1.331 5.551 1.00 0.00 C ATOM 1498 O SER A 98 -15.084 1.082 5.075 1.00 0.00 O ATOM 1499 CB SER A 98 -14.697 3.596 6.439 1.00 0.00 C ATOM 1500 OG SER A 98 -14.226 4.658 7.257 1.00 0.00 O ATOM 0 H SER A 98 -11.822 2.249 7.391 1.00 0.00 H new ATOM 0 HA SER A 98 -14.143 1.859 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.652 3.883 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.741 3.381 6.667 1.00 0.00 H new ATOM 0 HG SER A 98 -13.798 5.338 6.696 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.911 0.734 5.126 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.984 -0.284 4.033 1.00 0.00 C ATOM 1508 C ASN A 99 -13.621 0.300 2.767 1.00 0.00 C ATOM 1509 O ASN A 99 -14.828 0.390 2.655 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.861 -1.397 4.608 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.134 -2.082 5.768 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -11.951 -1.662 6.130 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -13.648 -3.014 6.353 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.974 0.908 5.490 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.995 -0.635 3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.809 -0.984 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.095 -2.126 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.571 -3.345 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.156 -3.466 7.124 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.820 0.682 1.801 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.403 1.248 0.541 1.00 0.00 C ATOM 1522 C ILE A 100 -12.449 1.102 -0.668 1.00 0.00 C ATOM 1523 O ILE A 100 -12.745 0.362 -1.584 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.708 2.738 0.804 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.046 3.241 2.116 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.229 2.934 0.866 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -14.026 3.204 3.286 1.00 0.00 C ATOM 0 H ILE A 100 -11.802 0.628 1.828 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.307 0.696 0.284 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.288 3.325 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.178 2.623 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.684 4.259 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.453 3.984 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.674 2.630 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.642 2.327 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.530 3.562 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.881 3.842 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.368 2.181 3.442 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.354 1.834 -0.665 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.410 1.786 -1.816 1.00 0.00 C ATOM 1541 C PRO A 101 -9.598 0.489 -1.835 1.00 0.00 C ATOM 1542 O PRO A 101 -8.749 0.302 -2.679 1.00 0.00 O ATOM 1543 CB PRO A 101 -9.485 2.971 -1.574 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.532 3.201 -0.100 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.891 2.757 0.377 1.00 0.00 C ATOM 0 HA PRO A 101 -10.934 1.824 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.470 2.754 -1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.820 3.852 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.745 2.638 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.368 4.254 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.831 2.264 1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.569 3.603 0.490 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.834 -0.402 -0.919 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.054 -1.673 -0.909 1.00 0.00 C ATOM 1555 C LEU A 102 -9.569 -2.615 -2.011 1.00 0.00 C ATOM 1556 O LEU A 102 -10.693 -2.501 -2.455 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.251 -2.233 0.511 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.382 -3.271 0.576 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.643 -2.755 -0.125 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.916 -4.568 -0.083 1.00 0.00 C ATOM 0 H LEU A 102 -10.529 -0.310 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.994 -1.540 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.322 -2.690 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.473 -1.414 1.195 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.627 -3.454 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.428 -3.509 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.981 -1.840 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.419 -2.548 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.716 -5.307 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.658 -4.375 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.041 -4.949 0.443 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.752 -3.530 -2.473 1.00 0.00 N ATOM 1573 CA LEU A 103 -9.210 -4.457 -3.563 1.00 0.00 C ATOM 1574 C LEU A 103 -8.069 -5.395 -3.985 1.00 0.00 C ATOM 1575 O LEU A 103 -7.454 -6.034 -3.167 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.595 -3.533 -4.725 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.378 -2.693 -5.125 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -8.184 -2.760 -6.636 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.596 -1.239 -4.711 1.00 0.00 C ATOM 0 H LEU A 103 -7.796 -3.677 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.038 -5.090 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.940 -4.122 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.420 -2.883 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.493 -3.086 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.318 -2.162 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.024 -3.795 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.072 -2.371 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.728 -0.645 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.483 -0.848 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.732 -1.185 -3.631 1.00 0.00 H new ATOM 1591 N THR A 104 -7.782 -5.480 -5.259 1.00 0.00 N ATOM 1592 CA THR A 104 -6.669 -6.353 -5.724 1.00 0.00 C ATOM 1593 C THR A 104 -5.658 -5.517 -6.517 1.00 0.00 C ATOM 1594 O THR A 104 -4.908 -4.747 -5.951 1.00 0.00 O ATOM 1595 CB THR A 104 -7.302 -7.455 -6.583 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.310 -8.011 -7.433 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.447 -6.899 -7.435 1.00 0.00 C ATOM 0 H THR A 104 -8.275 -4.979 -5.998 1.00 0.00 H new ATOM 0 HA THR A 104 -6.125 -6.802 -4.893 1.00 0.00 H new ATOM 0 HB THR A 104 -7.706 -8.222 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.846 -8.736 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.878 -7.701 -8.034 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.214 -6.480 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.065 -6.119 -8.094 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.622 -5.649 -7.820 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.646 -4.842 -8.610 1.00 0.00 C ATOM 1607 C LYS A 105 -5.065 -4.722 -10.080 1.00 0.00 C ATOM 1608 O LYS A 105 -4.262 -4.924 -10.969 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.325 -5.594 -8.491 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.183 -4.582 -8.499 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.708 -4.341 -7.067 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.375 -3.590 -7.096 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.548 -4.462 -7.876 1.00 0.00 N ATOM 0 H LYS A 105 -6.219 -6.273 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.581 -3.821 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.305 -6.179 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.214 -6.296 -9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.359 -4.952 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.516 -3.645 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.452 -3.764 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.592 -5.291 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.484 -2.612 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.003 -3.419 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.399 -4.659 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.070 -5.356 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.821 -3.979 -8.756 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.303 -4.360 -10.290 1.00 0.00 N ATOM 1628 CA PRO A 106 -6.811 -4.172 -11.666 1.00 0.00 C ATOM 1629 C PRO A 106 -6.330 -2.813 -12.189 1.00 0.00 C ATOM 1630 O PRO A 106 -6.372 -2.532 -13.370 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.325 -4.188 -11.496 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.567 -3.765 -10.080 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.333 -4.102 -9.282 1.00 0.00 C ATOM 0 HA PRO A 106 -6.471 -4.928 -12.374 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.807 -3.507 -12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.732 -5.181 -11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.774 -2.696 -10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.438 -4.277 -9.672 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.048 -3.280 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.496 -4.974 -8.649 1.00 0.00 H new ATOM 1641 N PHE A 107 -5.870 -1.974 -11.299 1.00 0.00 N ATOM 1642 CA PHE A 107 -5.372 -0.629 -11.703 1.00 0.00 C ATOM 1643 C PHE A 107 -6.465 0.164 -12.420 1.00 0.00 C ATOM 1644 O PHE A 107 -7.637 -0.138 -12.307 1.00 0.00 O ATOM 1645 CB PHE A 107 -4.170 -0.898 -12.605 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.929 -0.946 -11.741 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.422 0.234 -11.179 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.297 -2.168 -11.483 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.284 0.191 -10.363 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.157 -2.212 -10.667 1.00 0.00 C ATOM 1651 CZ PHE A 107 -0.650 -1.029 -10.106 1.00 0.00 C ATOM 0 H PHE A 107 -5.818 -2.167 -10.299 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.087 -0.020 -10.845 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.298 -1.840 -13.138 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.078 -0.116 -13.358 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.909 1.178 -11.375 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.688 -3.078 -11.913 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.895 1.102 -9.932 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.669 -3.155 -10.470 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.228 -1.061 -9.477 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.100 1.202 -13.123 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.132 2.039 -13.802 1.00 0.00 C ATOM 1663 C LEU A 108 -7.961 2.751 -12.730 1.00 0.00 C ATOM 1664 O LEU A 108 -8.994 3.332 -13.003 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.013 1.070 -14.600 1.00 0.00 C ATOM 1666 CG LEU A 108 -7.166 -0.047 -15.220 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -7.960 -0.705 -16.348 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -5.862 0.537 -15.777 1.00 0.00 C ATOM 0 H LEU A 108 -5.136 1.506 -13.257 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.693 2.791 -14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.771 0.638 -13.947 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.540 1.612 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.924 -0.789 -14.459 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.365 -1.501 -16.795 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.883 -1.123 -15.947 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.199 0.040 -17.107 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.264 -0.262 -16.216 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.093 1.280 -16.541 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.301 1.009 -14.970 1.00 0.00 H new ATOM 1680 N ASP A 109 -7.502 2.696 -11.504 1.00 0.00 N ATOM 1681 CA ASP A 109 -8.227 3.343 -10.369 1.00 0.00 C ATOM 1682 C ASP A 109 -7.722 2.747 -9.048 1.00 0.00 C ATOM 1683 O ASP A 109 -7.830 3.346 -7.996 1.00 0.00 O ATOM 1684 CB ASP A 109 -9.707 3.007 -10.580 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.454 4.258 -11.051 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -9.831 5.304 -11.130 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -11.637 4.148 -11.327 1.00 0.00 O ATOM 0 H ASP A 109 -6.639 2.221 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.070 4.421 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.808 2.211 -11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.143 2.638 -9.651 1.00 0.00 H new ATOM 1692 N SER A 110 -7.171 1.563 -9.107 1.00 0.00 N ATOM 1693 CA SER A 110 -6.651 0.899 -7.876 1.00 0.00 C ATOM 1694 C SER A 110 -5.834 1.878 -7.022 1.00 0.00 C ATOM 1695 O SER A 110 -6.383 2.615 -6.226 1.00 0.00 O ATOM 1696 CB SER A 110 -5.766 -0.229 -8.399 1.00 0.00 C ATOM 1697 OG SER A 110 -5.187 -0.921 -7.300 1.00 0.00 O ATOM 0 H SER A 110 -7.058 1.023 -9.965 1.00 0.00 H new ATOM 0 HA SER A 110 -7.454 0.538 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.355 -0.916 -9.007 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.984 0.175 -9.042 1.00 0.00 H new ATOM 0 HG SER A 110 -4.619 -1.647 -7.633 1.00 0.00 H new ATOM 1703 N GLU A 111 -4.527 1.879 -7.175 1.00 0.00 N ATOM 1704 CA GLU A 111 -3.667 2.802 -6.369 1.00 0.00 C ATOM 1705 C GLU A 111 -4.382 4.137 -6.155 1.00 0.00 C ATOM 1706 O GLU A 111 -4.489 4.628 -5.049 1.00 0.00 O ATOM 1707 CB GLU A 111 -2.402 2.997 -7.211 1.00 0.00 C ATOM 1708 CG GLU A 111 -1.265 3.513 -6.324 1.00 0.00 C ATOM 1709 CD GLU A 111 -0.290 2.371 -6.024 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -0.645 1.232 -6.281 1.00 0.00 O ATOM 1711 OE2 GLU A 111 0.794 2.654 -5.542 1.00 0.00 O ATOM 0 H GLU A 111 -4.021 1.278 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.441 2.402 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.114 2.054 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.596 3.704 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.743 4.329 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.669 3.914 -5.394 1.00 0.00 H new ATOM 1718 N LEU A 112 -4.883 4.715 -7.207 1.00 0.00 N ATOM 1719 CA LEU A 112 -5.609 6.019 -7.059 1.00 0.00 C ATOM 1720 C LEU A 112 -6.595 5.909 -5.896 1.00 0.00 C ATOM 1721 O LEU A 112 -6.426 6.516 -4.858 1.00 0.00 O ATOM 1722 CB LEU A 112 -6.396 6.273 -8.362 1.00 0.00 C ATOM 1723 CG LEU A 112 -5.747 5.583 -9.560 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -6.449 6.024 -10.845 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -4.265 5.961 -9.631 1.00 0.00 C ATOM 0 H LEU A 112 -4.826 4.351 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.908 6.831 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.418 5.913 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.455 7.345 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.839 4.503 -9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.986 5.532 -11.700 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.503 5.751 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.359 7.105 -10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.804 5.467 -10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.170 7.041 -9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.764 5.644 -8.716 1.00 0.00 H new ATOM 1737 N GLU A 113 -7.627 5.129 -6.073 1.00 0.00 N ATOM 1738 CA GLU A 113 -8.640 4.959 -4.996 1.00 0.00 C ATOM 1739 C GLU A 113 -7.961 4.812 -3.639 1.00 0.00 C ATOM 1740 O GLU A 113 -8.429 5.319 -2.638 1.00 0.00 O ATOM 1741 CB GLU A 113 -9.372 3.670 -5.355 1.00 0.00 C ATOM 1742 CG GLU A 113 -10.864 3.864 -5.111 1.00 0.00 C ATOM 1743 CD GLU A 113 -11.623 3.743 -6.434 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -11.654 4.718 -7.166 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.160 2.678 -6.692 1.00 0.00 O ATOM 0 H GLU A 113 -7.812 4.599 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 113 -9.309 5.816 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.191 3.412 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -8.996 2.843 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.226 3.119 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.045 4.842 -4.665 1.00 0.00 H new ATOM 1752 N ALA A 114 -6.864 4.117 -3.594 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.165 3.935 -2.293 1.00 0.00 C ATOM 1754 C ALA A 114 -5.963 5.295 -1.619 1.00 0.00 C ATOM 1755 O ALA A 114 -6.105 5.432 -0.420 1.00 0.00 O ATOM 1756 CB ALA A 114 -4.823 3.293 -2.651 1.00 0.00 C ATOM 0 H ALA A 114 -6.421 3.668 -4.396 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.729 3.317 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.246 3.126 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.997 2.340 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.269 3.955 -3.316 1.00 0.00 H new ATOM 1762 N VAL A 115 -5.637 6.300 -2.383 1.00 0.00 N ATOM 1763 CA VAL A 115 -5.432 7.656 -1.786 1.00 0.00 C ATOM 1764 C VAL A 115 -6.587 8.594 -2.155 1.00 0.00 C ATOM 1765 O VAL A 115 -6.768 9.637 -1.558 1.00 0.00 O ATOM 1766 CB VAL A 115 -4.122 8.171 -2.385 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -3.589 9.318 -1.525 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.088 7.042 -2.418 1.00 0.00 C ATOM 0 H VAL A 115 -5.503 6.245 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.396 7.612 -0.697 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.304 8.524 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.655 9.687 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.321 10.125 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.410 8.960 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.157 7.414 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.905 6.686 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.465 6.221 -3.028 1.00 0.00 H new ATOM 1778 N LEU A 116 -7.350 8.245 -3.152 1.00 0.00 N ATOM 1779 CA LEU A 116 -8.476 9.125 -3.586 1.00 0.00 C ATOM 1780 C LEU A 116 -9.708 8.931 -2.695 1.00 0.00 C ATOM 1781 O LEU A 116 -10.599 9.755 -2.672 1.00 0.00 O ATOM 1782 CB LEU A 116 -8.767 8.673 -5.024 1.00 0.00 C ATOM 1783 CG LEU A 116 -10.129 9.197 -5.494 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.944 10.548 -6.181 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -10.738 8.200 -6.484 1.00 0.00 C ATOM 0 H LEU A 116 -7.244 7.384 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.225 10.184 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.983 9.035 -5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.753 7.584 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.793 9.314 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.912 10.922 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.505 11.256 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.283 10.432 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.707 8.568 -6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.074 8.087 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.867 7.234 -5.995 1.00 0.00 H new ATOM 1797 N VAL A 117 -9.788 7.847 -1.985 1.00 0.00 N ATOM 1798 CA VAL A 117 -10.993 7.617 -1.139 1.00 0.00 C ATOM 1799 C VAL A 117 -10.836 8.178 0.280 1.00 0.00 C ATOM 1800 O VAL A 117 -11.809 8.341 0.988 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.147 6.110 -1.093 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -12.320 5.755 -0.189 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -11.412 5.576 -2.501 1.00 0.00 C ATOM 0 H VAL A 117 -9.080 7.114 -1.951 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.862 8.126 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.232 5.662 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.436 4.672 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.133 6.135 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.232 6.204 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.522 4.492 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.327 6.021 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.576 5.834 -3.151 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.644 8.464 0.723 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.502 8.994 2.112 1.00 0.00 C ATOM 1815 C GLN A 118 -9.020 10.454 2.106 1.00 0.00 C ATOM 1816 O GLN A 118 -8.182 10.843 2.894 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.485 8.069 2.796 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.061 8.466 2.405 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.104 7.318 2.725 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -5.532 7.269 3.797 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -5.905 6.387 1.835 1.00 0.00 N ATOM 0 H GLN A 118 -8.776 8.358 0.198 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.455 9.002 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.602 8.126 3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.673 7.034 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.018 8.704 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.761 9.364 2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.386 6.430 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.269 5.616 2.037 1.00 0.00 H new ATOM 1830 N ILE A 119 -9.558 11.270 1.235 1.00 0.00 N ATOM 1831 CA ILE A 119 -9.136 12.707 1.200 1.00 0.00 C ATOM 1832 C ILE A 119 -10.307 13.606 1.626 1.00 0.00 C ATOM 1833 O ILE A 119 -10.156 14.797 1.814 1.00 0.00 O ATOM 1834 CB ILE A 119 -8.707 12.998 -0.257 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -9.898 13.518 -1.081 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -8.157 11.728 -0.913 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -10.965 12.430 -1.203 1.00 0.00 C ATOM 0 H ILE A 119 -10.267 11.007 0.550 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.314 12.906 1.888 1.00 0.00 H new ATOM 0 HB ILE A 119 -7.929 13.761 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -10.322 14.402 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.560 13.820 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.859 11.948 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -7.292 11.374 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.928 10.957 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.804 12.807 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.540 11.558 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.313 12.148 -0.209 1.00 0.00 H new ATOM 1849 N SER A 120 -11.472 13.038 1.777 1.00 0.00 N ATOM 1850 CA SER A 120 -12.659 13.844 2.188 1.00 0.00 C ATOM 1851 C SER A 120 -13.800 12.906 2.591 1.00 0.00 C ATOM 1852 O SER A 120 -14.360 13.019 3.664 1.00 0.00 O ATOM 1853 CB SER A 120 -13.039 14.657 0.949 1.00 0.00 C ATOM 1854 OG SER A 120 -12.268 15.852 0.916 1.00 0.00 O ATOM 0 H SER A 120 -11.655 12.045 1.633 1.00 0.00 H new ATOM 0 HA SER A 120 -12.453 14.489 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.862 14.071 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.102 14.897 0.969 1.00 0.00 H new ATOM 0 HG SER A 120 -11.508 15.768 1.528 1.00 0.00 H new ATOM 1860 N LYS A 121 -14.148 11.983 1.734 1.00 0.00 N ATOM 1861 CA LYS A 121 -15.251 11.027 2.053 1.00 0.00 C ATOM 1862 C LYS A 121 -16.548 11.790 2.312 1.00 0.00 C ATOM 1863 O LYS A 121 -17.077 11.783 3.404 1.00 0.00 O ATOM 1864 CB LYS A 121 -14.800 10.284 3.309 1.00 0.00 C ATOM 1865 CG LYS A 121 -15.931 9.372 3.779 1.00 0.00 C ATOM 1866 CD LYS A 121 -15.664 7.940 3.310 1.00 0.00 C ATOM 1867 CE LYS A 121 -16.930 7.377 2.660 1.00 0.00 C ATOM 1868 NZ LYS A 121 -16.444 6.415 1.631 1.00 0.00 N ATOM 0 H LYS A 121 -13.713 11.849 0.821 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.445 10.338 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -13.906 9.697 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -14.538 10.994 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -16.007 9.401 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -16.884 9.724 3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.839 7.926 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.367 7.318 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -17.563 6.881 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.527 8.169 2.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -17.186 5.713 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.213 6.929 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.593 5.931 1.983 1.00 0.00 H new ATOM 1882 N GLU A 122 -17.047 12.438 1.294 1.00 0.00 N ATOM 1883 CA GLU A 122 -18.316 13.234 1.388 1.00 0.00 C ATOM 1884 C GLU A 122 -18.285 14.329 0.336 1.00 0.00 C ATOM 1885 O GLU A 122 -19.297 14.901 -0.015 1.00 0.00 O ATOM 1886 CB GLU A 122 -18.376 13.860 2.787 1.00 0.00 C ATOM 1887 CG GLU A 122 -17.038 14.522 3.124 1.00 0.00 C ATOM 1888 CD GLU A 122 -17.258 15.578 4.209 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -17.508 15.193 5.340 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -17.173 16.753 3.891 1.00 0.00 O ATOM 0 H GLU A 122 -16.616 12.451 0.369 1.00 0.00 H new ATOM 0 HA GLU A 122 -19.189 12.602 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -19.177 14.598 2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -18.608 13.094 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -16.325 13.773 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -16.612 14.982 2.233 1.00 0.00 H new ATOM 1897 N VAL A 123 -17.121 14.619 -0.160 1.00 0.00 N ATOM 1898 CA VAL A 123 -16.977 15.671 -1.189 1.00 0.00 C ATOM 1899 C VAL A 123 -17.910 16.849 -0.887 1.00 0.00 C ATOM 1900 O VAL A 123 -18.388 17.458 -1.829 1.00 0.00 O ATOM 1901 CB VAL A 123 -17.345 15.004 -2.517 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -16.486 13.753 -2.718 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -18.823 14.608 -2.506 1.00 0.00 C ATOM 0 H VAL A 123 -16.250 14.162 0.110 1.00 0.00 H new ATOM 0 HA VAL A 123 -15.965 16.076 -1.216 1.00 0.00 H new ATOM 0 HB VAL A 123 -17.165 15.706 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -16.749 13.279 -3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -15.433 14.033 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -16.664 13.054 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -19.080 14.134 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -19.007 13.910 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -19.437 15.498 -2.368 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 3.034 -8.138 -9.310 1.00 0.00 CA HETATM 1915 BE BEF A 202 0.180 -7.265 -8.453 1.00 0.00 BE HETATM 1916 F1 BEF A 202 0.093 -6.089 -9.345 1.00 0.00 F HETATM 1917 F2 BEF A 202 0.692 -7.671 -10.107 1.00 0.00 F HETATM 1918 F3 BEF A 202 1.461 -7.708 -8.315 1.00 0.00 F