USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1350 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 15 HIS : no HE2:sc= -2.84 K(o=-8.2,f=-7.2) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 160:sc= 0.02 (180deg=0) USER MOD Set 1.3: A 25 HIS : no HD1:sc= -3.36 K(o=-8.2,f=-7.2!) USER MOD Set 1.4: B 85 HIS : no HE2:sc= -2.05 K(o=-8.2,f=-13!) USER MOD Set 2.1: A 74 MET CE :methyl 158:sc= -0.692 (180deg=-2.5) USER MOD Set 2.2: B 74 MET CE :methyl 165:sc= -1.16 (180deg=-2.88) USER MOD Set 3.1: B 29 LYS NZ :NH3+ -147:sc= -0.0831 (180deg=0) USER MOD Set 3.2: B 50 GLN : amide:sc= -0.977 K(o=-1.1,f=0.59) USER MOD Set 4.1: A 85 HIS : no HE2:sc= -1.69 K(o=-7.6,f=-13!) USER MOD Set 4.2: B 15 HIS : no HE2:sc= -2.64 K(o=-7.6,f=-6.7) USER MOD Set 4.3: B 24 LYS NZ :NH3+ 168:sc= 0.0245 (180deg=0) USER MOD Set 4.4: B 25 HIS : no HD1:sc= -3.28 K(o=-7.6,f=-6.7!) USER MOD Set 5.1: B 17 TYR OH : rot 30:sc= -1.25 USER MOD Set 5.2: B 38 ASN : amide:sc= -2.03 K(o=-3.3,f=-4!) USER MOD Set 6.1: A 29 LYS NZ :NH3+ -145:sc= -0.206 (180deg=0) USER MOD Set 6.2: A 50 GLN : amide:sc= -0.952 K(o=-1.2,f=0.73) USER MOD Set 7.1: A 17 TYR OH : rot 30:sc= -1.39 USER MOD Set 7.2: A 38 ASN : amide:sc= -2.07 K(o=-3.5,f=-4.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -110:sc= -1.63 (180deg=-7.12!) USER MOD Single : A 16 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.1!) USER MOD Single : A 18 SER OG : rot -180:sc= 0.894 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= -1.98 (180deg=-4.43!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -4.21 K(o=-4.2,f=-5.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.607 K(o=-0.61,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.0611 (180deg=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 167:sc= -0.606 (180deg=-0.908) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 108:sc= 0.414 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -51:sc=-0.00995 USER MOD Single : A 79 MET CE :methyl -178:sc= -0.604 (180deg=-0.607) USER MOD Single : A 81 THR OG1 : rot 62:sc= -1.1! USER MOD Single : A 82 THR OG1 : rot 25:sc= -0.92 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -108:sc= -2.15 (180deg=-7.42!) USER MOD Single : B 16 GLN : amide:sc= -0.064 K(o=-0.064,f=-2.3!) USER MOD Single : B 18 SER OG : rot -168:sc= 1.19 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -105:sc= -1.81 (180deg=-4.27!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -3.92 K(o=-3.9,f=-5.8!) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-1.6!) USER MOD Single : B 48 LYS NZ :NH3+ -124:sc= -0.0237 (180deg=-0.436) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 169:sc= -0.729 (180deg=-0.954) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 103:sc= 0.454 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -51:sc= -0.11 USER MOD Single : B 79 MET CE :methyl -179:sc= -0.416 (180deg=-0.417) USER MOD Single : B 81 THR OG1 : rot 54:sc= -1.14 USER MOD Single : B 82 THR OG1 : rot 26:sc= -0.777 USER MOD Single : B 84 CYS SG : rot -9:sc= 0.0541 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.899 1.207 12.428 1.00 0.00 N ATOM 32 CA GLU A 2 -6.773 0.295 12.067 1.00 0.00 C ATOM 33 C GLU A 2 -6.044 0.850 10.837 1.00 0.00 C ATOM 34 O GLU A 2 -4.861 0.633 10.651 1.00 0.00 O ATOM 35 CB GLU A 2 -7.329 -1.096 11.748 1.00 0.00 C ATOM 36 CG GLU A 2 -7.848 -1.749 13.033 1.00 0.00 C ATOM 37 CD GLU A 2 -8.765 -2.921 12.678 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.467 -3.608 11.716 1.00 0.00 O ATOM 39 OE2 GLU A 2 -9.751 -3.109 13.372 1.00 0.00 O ATOM 0 HA GLU A 2 -6.076 0.225 12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.134 -1.018 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.552 -1.716 11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.012 -2.099 13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.391 -1.017 13.631 1.00 0.00 H new ATOM 46 N LEU A 3 -6.745 1.554 9.991 1.00 0.00 N ATOM 47 CA LEU A 3 -6.097 2.105 8.767 1.00 0.00 C ATOM 48 C LEU A 3 -5.182 3.287 9.139 1.00 0.00 C ATOM 49 O LEU A 3 -4.240 3.575 8.441 1.00 0.00 O ATOM 50 CB LEU A 3 -7.192 2.560 7.760 1.00 0.00 C ATOM 51 CG LEU A 3 -7.282 1.572 6.578 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.613 1.736 5.825 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.124 1.819 5.601 1.00 0.00 C ATOM 0 H LEU A 3 -7.736 1.771 10.094 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.486 1.331 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.156 2.621 8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.962 3.559 7.390 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.223 0.560 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.652 1.029 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.442 1.544 6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.689 2.752 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.194 1.118 4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.180 2.839 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.175 1.675 6.118 1.00 0.00 H new ATOM 65 N GLU A 4 -5.439 3.971 10.223 1.00 0.00 N ATOM 66 CA GLU A 4 -4.560 5.120 10.592 1.00 0.00 C ATOM 67 C GLU A 4 -3.240 4.594 11.156 1.00 0.00 C ATOM 68 O GLU A 4 -2.200 5.200 10.994 1.00 0.00 O ATOM 69 CB GLU A 4 -5.249 5.992 11.644 1.00 0.00 C ATOM 70 CG GLU A 4 -6.350 6.820 10.981 1.00 0.00 C ATOM 71 CD GLU A 4 -7.240 7.437 12.061 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.823 7.448 13.208 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.321 7.891 11.724 1.00 0.00 O ATOM 0 H GLU A 4 -6.211 3.787 10.863 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.367 5.718 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.673 5.366 12.429 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.521 6.650 12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.910 7.604 10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.945 6.191 10.319 1.00 0.00 H new ATOM 80 N LYS A 5 -3.269 3.468 11.805 1.00 0.00 N ATOM 81 CA LYS A 5 -2.009 2.904 12.365 1.00 0.00 C ATOM 82 C LYS A 5 -1.066 2.573 11.207 1.00 0.00 C ATOM 83 O LYS A 5 0.117 2.844 11.253 1.00 0.00 O ATOM 84 CB LYS A 5 -2.339 1.628 13.170 1.00 0.00 C ATOM 85 CG LYS A 5 -2.586 1.984 14.651 1.00 0.00 C ATOM 86 CD LYS A 5 -3.513 0.941 15.318 1.00 0.00 C ATOM 87 CE LYS A 5 -4.982 1.399 15.249 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.294 2.245 16.438 1.00 0.00 N ATOM 0 H LYS A 5 -4.108 2.913 11.973 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.529 3.624 13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.222 1.143 12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.517 0.916 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.636 2.026 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.035 2.975 14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.403 -0.022 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.219 0.798 16.358 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.156 1.962 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.643 0.533 15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.286 2.555 16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.143 1.693 17.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.671 3.078 16.445 1.00 0.00 H new ATOM 102 N ALA A 6 -1.589 1.995 10.170 1.00 0.00 N ATOM 103 CA ALA A 6 -0.733 1.645 9.001 1.00 0.00 C ATOM 104 C ALA A 6 -0.162 2.915 8.380 1.00 0.00 C ATOM 105 O ALA A 6 1.029 3.034 8.172 1.00 0.00 O ATOM 106 CB ALA A 6 -1.571 0.904 7.962 1.00 0.00 C ATOM 0 H ALA A 6 -2.574 1.747 10.077 1.00 0.00 H new ATOM 0 HA ALA A 6 0.086 1.008 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.946 0.647 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.975 -0.007 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.391 1.542 7.634 1.00 0.00 H new ATOM 112 N MET A 7 -0.995 3.860 8.079 1.00 0.00 N ATOM 113 CA MET A 7 -0.488 5.116 7.470 1.00 0.00 C ATOM 114 C MET A 7 0.640 5.676 8.330 1.00 0.00 C ATOM 115 O MET A 7 1.650 6.125 7.834 1.00 0.00 O ATOM 116 CB MET A 7 -1.608 6.150 7.415 1.00 0.00 C ATOM 117 CG MET A 7 -2.749 5.639 6.545 1.00 0.00 C ATOM 118 SD MET A 7 -4.174 6.739 6.745 1.00 0.00 S ATOM 119 CE MET A 7 -5.436 5.688 5.982 1.00 0.00 C ATOM 0 H MET A 7 -2.004 3.821 8.226 1.00 0.00 H new ATOM 0 HA MET A 7 -0.128 4.902 6.464 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.972 6.357 8.421 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.227 7.089 7.014 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.441 5.606 5.500 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.015 4.621 6.831 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.745 6.122 5.031 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.026 4.693 5.810 1.00 0.00 H new ATOM 0 HE3 MET A 7 -6.298 5.615 6.645 1.00 0.00 H new ATOM 129 N VAL A 8 0.468 5.666 9.618 1.00 0.00 N ATOM 130 CA VAL A 8 1.527 6.219 10.508 1.00 0.00 C ATOM 131 C VAL A 8 2.735 5.283 10.516 1.00 0.00 C ATOM 132 O VAL A 8 3.862 5.702 10.332 1.00 0.00 O ATOM 133 CB VAL A 8 0.967 6.359 11.924 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.094 6.721 12.897 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.095 7.459 11.941 1.00 0.00 C ATOM 0 H VAL A 8 -0.356 5.301 10.095 1.00 0.00 H new ATOM 0 HA VAL A 8 1.841 7.197 10.142 1.00 0.00 H new ATOM 0 HB VAL A 8 0.521 5.413 12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.688 6.819 13.904 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.850 5.936 12.886 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.546 7.665 12.595 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.497 7.562 12.949 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.354 8.403 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.900 7.198 11.255 1.00 0.00 H new ATOM 145 N ALA A 9 2.506 4.024 10.731 1.00 0.00 N ATOM 146 CA ALA A 9 3.636 3.060 10.755 1.00 0.00 C ATOM 147 C ALA A 9 4.380 3.120 9.414 1.00 0.00 C ATOM 148 O ALA A 9 5.572 2.896 9.343 1.00 0.00 O ATOM 149 CB ALA A 9 3.090 1.644 11.001 1.00 0.00 C ATOM 0 H ALA A 9 1.584 3.618 10.892 1.00 0.00 H new ATOM 0 HA ALA A 9 4.329 3.316 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.916 0.933 11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.567 1.617 11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.399 1.376 10.201 1.00 0.00 H new ATOM 155 N LEU A 10 3.686 3.420 8.350 1.00 0.00 N ATOM 156 CA LEU A 10 4.354 3.490 7.017 1.00 0.00 C ATOM 157 C LEU A 10 5.077 4.834 6.854 1.00 0.00 C ATOM 158 O LEU A 10 6.238 4.876 6.532 1.00 0.00 O ATOM 159 CB LEU A 10 3.289 3.315 5.917 1.00 0.00 C ATOM 160 CG LEU A 10 3.104 1.813 5.595 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.681 1.550 5.093 1.00 0.00 C ATOM 162 CD2 LEU A 10 4.111 1.380 4.517 1.00 0.00 C ATOM 0 H LEU A 10 2.686 3.620 8.345 1.00 0.00 H new ATOM 0 HA LEU A 10 5.096 2.695 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.342 3.745 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.590 3.854 5.019 1.00 0.00 H new ATOM 0 HG LEU A 10 3.275 1.239 6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.564 0.489 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.965 1.840 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.500 2.133 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.975 0.321 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.948 1.964 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.126 1.547 4.879 1.00 0.00 H new ATOM 174 N ILE A 11 4.396 5.926 7.067 1.00 0.00 N ATOM 175 CA ILE A 11 5.040 7.267 6.904 1.00 0.00 C ATOM 176 C ILE A 11 6.411 7.263 7.586 1.00 0.00 C ATOM 177 O ILE A 11 7.321 7.953 7.173 1.00 0.00 O ATOM 178 CB ILE A 11 4.147 8.347 7.540 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.956 8.607 6.614 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.942 9.655 7.739 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.925 9.483 7.327 1.00 0.00 C ATOM 0 H ILE A 11 3.416 5.951 7.349 1.00 0.00 H new ATOM 0 HA ILE A 11 5.166 7.483 5.843 1.00 0.00 H new ATOM 0 HB ILE A 11 3.800 8.002 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.294 9.098 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.501 7.662 6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.296 10.408 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.793 9.468 8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.299 10.014 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.080 9.664 6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.577 8.976 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.382 10.434 7.600 1.00 0.00 H new ATOM 193 N ASP A 12 6.566 6.497 8.625 1.00 0.00 N ATOM 194 CA ASP A 12 7.879 6.464 9.325 1.00 0.00 C ATOM 195 C ASP A 12 8.875 5.639 8.511 1.00 0.00 C ATOM 196 O ASP A 12 9.982 6.068 8.253 1.00 0.00 O ATOM 197 CB ASP A 12 7.704 5.850 10.716 1.00 0.00 C ATOM 198 CG ASP A 12 6.963 6.840 11.619 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.859 7.996 11.239 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.515 6.429 12.676 1.00 0.00 O ATOM 0 H ASP A 12 5.845 5.894 9.020 1.00 0.00 H new ATOM 0 HA ASP A 12 8.260 7.480 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.146 4.916 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.677 5.608 11.144 1.00 0.00 H new ATOM 205 N VAL A 13 8.493 4.465 8.094 1.00 0.00 N ATOM 206 CA VAL A 13 9.420 3.624 7.283 1.00 0.00 C ATOM 207 C VAL A 13 9.417 4.129 5.838 1.00 0.00 C ATOM 208 O VAL A 13 10.375 3.968 5.110 1.00 0.00 O ATOM 209 CB VAL A 13 8.976 2.156 7.327 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.109 1.254 6.840 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.628 1.770 8.762 1.00 0.00 C ATOM 0 H VAL A 13 7.580 4.050 8.279 1.00 0.00 H new ATOM 0 HA VAL A 13 10.428 3.694 7.693 1.00 0.00 H new ATOM 0 HB VAL A 13 8.105 2.033 6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.786 0.214 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.371 1.519 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.980 1.385 7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.313 0.727 8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.504 1.903 9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.818 2.404 9.123 1.00 0.00 H new ATOM 221 N PHE A 14 8.341 4.736 5.420 1.00 0.00 N ATOM 222 CA PHE A 14 8.281 5.244 4.021 1.00 0.00 C ATOM 223 C PHE A 14 9.213 6.457 3.875 1.00 0.00 C ATOM 224 O PHE A 14 10.056 6.501 3.000 1.00 0.00 O ATOM 225 CB PHE A 14 6.827 5.628 3.679 1.00 0.00 C ATOM 226 CG PHE A 14 6.787 6.634 2.545 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.330 6.299 1.303 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.216 7.899 2.742 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.302 7.225 0.255 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.189 8.823 1.695 1.00 0.00 C ATOM 231 CZ PHE A 14 6.733 8.488 0.451 1.00 0.00 C ATOM 0 H PHE A 14 7.506 4.901 5.982 1.00 0.00 H new ATOM 0 HA PHE A 14 8.610 4.469 3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.267 4.736 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.340 6.047 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.772 5.325 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.797 8.159 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.720 6.965 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.748 9.797 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.714 9.204 -0.358 1.00 0.00 H new ATOM 241 N HIS A 15 9.055 7.445 4.712 1.00 0.00 N ATOM 242 CA HIS A 15 9.912 8.659 4.604 1.00 0.00 C ATOM 243 C HIS A 15 11.349 8.350 5.041 1.00 0.00 C ATOM 244 O HIS A 15 12.293 8.934 4.543 1.00 0.00 O ATOM 245 CB HIS A 15 9.330 9.768 5.489 1.00 0.00 C ATOM 246 CG HIS A 15 9.917 11.099 5.101 1.00 0.00 C ATOM 247 ND1 HIS A 15 10.295 12.041 6.045 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.194 11.665 3.879 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.774 13.109 5.386 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.735 12.932 4.064 1.00 0.00 N ATOM 0 H HIS A 15 8.369 7.464 5.467 1.00 0.00 H new ATOM 0 HA HIS A 15 9.932 8.985 3.564 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.245 9.796 5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.545 9.558 6.537 1.00 0.00 H new ATOM 0 HD1 HIS A 15 10.222 11.941 7.058 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.018 11.197 2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.145 14.002 5.867 1.00 0.00 H new ATOM 258 N GLN A 16 11.533 7.446 5.964 1.00 0.00 N ATOM 259 CA GLN A 16 12.918 7.120 6.420 1.00 0.00 C ATOM 260 C GLN A 16 13.694 6.427 5.295 1.00 0.00 C ATOM 261 O GLN A 16 14.877 6.647 5.109 1.00 0.00 O ATOM 262 CB GLN A 16 12.845 6.188 7.633 1.00 0.00 C ATOM 263 CG GLN A 16 12.432 6.982 8.879 1.00 0.00 C ATOM 264 CD GLN A 16 13.641 7.734 9.448 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.752 7.556 8.991 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.469 8.569 10.436 1.00 0.00 N ATOM 0 H GLN A 16 10.789 6.920 6.422 1.00 0.00 H new ATOM 0 HA GLN A 16 13.431 8.043 6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.127 5.389 7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.813 5.715 7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.641 7.688 8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.026 6.307 9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.536 8.719 10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.267 9.072 10.824 1.00 0.00 H new ATOM 275 N TYR A 17 13.034 5.596 4.532 1.00 0.00 N ATOM 276 CA TYR A 17 13.728 4.887 3.413 1.00 0.00 C ATOM 277 C TYR A 17 13.547 5.681 2.124 1.00 0.00 C ATOM 278 O TYR A 17 14.511 6.083 1.502 1.00 0.00 O ATOM 279 CB TYR A 17 13.158 3.469 3.270 1.00 0.00 C ATOM 280 CG TYR A 17 13.775 2.586 4.335 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.302 2.643 5.653 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.833 1.725 4.011 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.886 1.844 6.644 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.415 0.924 5.004 1.00 0.00 C ATOM 285 CZ TYR A 17 14.940 0.984 6.320 1.00 0.00 C ATOM 286 OH TYR A 17 15.514 0.197 7.299 1.00 0.00 O ATOM 0 H TYR A 17 12.043 5.376 4.634 1.00 0.00 H new ATOM 0 HA TYR A 17 14.794 4.808 3.626 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.073 3.486 3.375 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.376 3.073 2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.486 3.304 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.200 1.679 2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.522 1.892 7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.230 0.261 4.754 1.00 0.00 H new ATOM 0 HH TYR A 17 14.843 -0.020 7.979 1.00 0.00 H new ATOM 296 N SER A 18 12.338 5.944 1.718 1.00 0.00 N ATOM 297 CA SER A 18 12.150 6.743 0.478 1.00 0.00 C ATOM 298 C SER A 18 12.960 8.036 0.613 1.00 0.00 C ATOM 299 O SER A 18 13.319 8.667 -0.362 1.00 0.00 O ATOM 300 CB SER A 18 10.673 7.088 0.302 1.00 0.00 C ATOM 301 OG SER A 18 9.901 5.904 0.416 1.00 0.00 O ATOM 0 H SER A 18 11.482 5.645 2.184 1.00 0.00 H new ATOM 0 HA SER A 18 12.485 6.171 -0.388 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.364 7.812 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.509 7.551 -0.671 1.00 0.00 H new ATOM 0 HG SER A 18 8.952 6.121 0.305 1.00 0.00 H new ATOM 307 N GLY A 19 13.237 8.438 1.831 1.00 0.00 N ATOM 308 CA GLY A 19 14.012 9.696 2.069 1.00 0.00 C ATOM 309 C GLY A 19 15.480 9.381 2.391 1.00 0.00 C ATOM 310 O GLY A 19 16.289 10.274 2.544 1.00 0.00 O ATOM 0 H GLY A 19 12.956 7.943 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.958 10.334 1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.566 10.253 2.893 1.00 0.00 H new ATOM 314 N ARG A 20 15.845 8.130 2.480 1.00 0.00 N ATOM 315 CA ARG A 20 17.271 7.794 2.773 1.00 0.00 C ATOM 316 C ARG A 20 18.155 8.475 1.732 1.00 0.00 C ATOM 317 O ARG A 20 19.237 8.946 2.027 1.00 0.00 O ATOM 318 CB ARG A 20 17.452 6.271 2.686 1.00 0.00 C ATOM 319 CG ARG A 20 18.910 5.858 2.961 1.00 0.00 C ATOM 320 CD ARG A 20 19.138 4.433 2.447 1.00 0.00 C ATOM 321 NE ARG A 20 20.531 4.010 2.764 1.00 0.00 N ATOM 322 CZ ARG A 20 20.825 3.579 3.957 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.893 3.489 4.866 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.051 3.239 4.241 1.00 0.00 N ATOM 0 H ARG A 20 15.223 7.330 2.364 1.00 0.00 H new ATOM 0 HA ARG A 20 17.546 8.136 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.793 5.784 3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.155 5.924 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.595 6.548 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.119 5.909 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.425 3.750 2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.969 4.391 1.371 1.00 0.00 H new ATOM 0 HE ARG A 20 21.254 4.058 2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.934 3.756 4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.123 3.151 5.801 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.778 3.311 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.283 2.901 5.175 1.00 0.00 H new ATOM 338 N GLU A 21 17.703 8.524 0.515 1.00 0.00 N ATOM 339 CA GLU A 21 18.516 9.171 -0.552 1.00 0.00 C ATOM 340 C GLU A 21 17.681 9.314 -1.821 1.00 0.00 C ATOM 341 O GLU A 21 16.573 8.820 -1.907 1.00 0.00 O ATOM 342 CB GLU A 21 19.749 8.315 -0.837 1.00 0.00 C ATOM 343 CG GLU A 21 19.354 6.841 -0.831 1.00 0.00 C ATOM 344 CD GLU A 21 20.531 6.001 -1.322 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.610 6.555 -1.461 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.337 4.819 -1.552 1.00 0.00 O ATOM 0 H GLU A 21 16.806 8.145 0.210 1.00 0.00 H new ATOM 0 HA GLU A 21 18.830 10.161 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.177 8.584 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.516 8.501 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.067 6.534 0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.487 6.682 -1.472 1.00 0.00 H new ATOM 353 N GLY A 22 18.208 9.991 -2.804 1.00 0.00 N ATOM 354 CA GLY A 22 17.461 10.189 -4.081 1.00 0.00 C ATOM 355 C GLY A 22 16.888 11.597 -4.105 1.00 0.00 C ATOM 356 O GLY A 22 17.092 12.376 -3.195 1.00 0.00 O ATOM 0 H GLY A 22 19.133 10.420 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.124 10.038 -4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.660 9.455 -4.166 1.00 0.00 H new ATOM 360 N ASP A 23 16.155 11.932 -5.128 1.00 0.00 N ATOM 361 CA ASP A 23 15.561 13.290 -5.183 1.00 0.00 C ATOM 362 C ASP A 23 14.827 13.553 -3.868 1.00 0.00 C ATOM 363 O ASP A 23 15.138 14.483 -3.155 1.00 0.00 O ATOM 364 CB ASP A 23 14.568 13.371 -6.344 1.00 0.00 C ATOM 365 CG ASP A 23 14.143 14.825 -6.542 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.009 15.522 -5.550 1.00 0.00 O ATOM 367 OD2 ASP A 23 13.959 15.219 -7.682 1.00 0.00 O ATOM 0 H ASP A 23 15.944 11.328 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 23 16.345 14.033 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.024 12.986 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.697 12.750 -6.137 1.00 0.00 H new ATOM 372 N LYS A 24 13.864 12.730 -3.541 1.00 0.00 N ATOM 373 CA LYS A 24 13.105 12.909 -2.266 1.00 0.00 C ATOM 374 C LYS A 24 11.881 11.980 -2.285 1.00 0.00 C ATOM 375 O LYS A 24 11.255 11.775 -3.305 1.00 0.00 O ATOM 376 CB LYS A 24 12.646 14.390 -2.122 1.00 0.00 C ATOM 377 CG LYS A 24 13.434 15.117 -1.004 1.00 0.00 C ATOM 378 CD LYS A 24 12.759 14.886 0.359 1.00 0.00 C ATOM 379 CE LYS A 24 13.771 15.117 1.488 1.00 0.00 C ATOM 380 NZ LYS A 24 13.081 15.022 2.804 1.00 0.00 N ATOM 0 H LYS A 24 13.568 11.935 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 24 13.744 12.660 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.789 14.911 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.580 14.422 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.461 14.751 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.482 16.185 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.912 15.562 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.366 13.871 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.570 14.378 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.235 16.097 1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.781 14.839 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.588 15.916 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.391 14.244 2.779 1.00 0.00 H new ATOM 394 N HIS A 25 11.529 11.446 -1.150 1.00 0.00 N ATOM 395 CA HIS A 25 10.334 10.557 -1.059 1.00 0.00 C ATOM 396 C HIS A 25 10.242 9.596 -2.249 1.00 0.00 C ATOM 397 O HIS A 25 9.183 9.431 -2.820 1.00 0.00 O ATOM 398 CB HIS A 25 9.062 11.422 -1.010 1.00 0.00 C ATOM 399 CG HIS A 25 9.337 12.722 -0.306 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.690 12.786 1.035 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.298 14.024 -0.745 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.847 14.087 1.350 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.617 14.878 0.301 1.00 0.00 N ATOM 0 H HIS A 25 12.024 11.588 -0.269 1.00 0.00 H new ATOM 0 HA HIS A 25 10.430 9.960 -0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.709 11.617 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.268 10.883 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.056 14.335 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.125 14.445 2.330 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.665 15.896 0.274 1.00 0.00 H new ATOM 411 N LYS A 26 11.310 8.935 -2.622 1.00 0.00 N ATOM 412 CA LYS A 26 11.239 7.965 -3.757 1.00 0.00 C ATOM 413 C LYS A 26 12.056 6.734 -3.363 1.00 0.00 C ATOM 414 O LYS A 26 13.009 6.826 -2.612 1.00 0.00 O ATOM 415 CB LYS A 26 11.806 8.609 -5.025 1.00 0.00 C ATOM 416 CG LYS A 26 10.733 9.511 -5.654 1.00 0.00 C ATOM 417 CD LYS A 26 11.321 10.300 -6.827 1.00 0.00 C ATOM 418 CE LYS A 26 11.972 9.345 -7.834 1.00 0.00 C ATOM 419 NZ LYS A 26 12.019 9.996 -9.171 1.00 0.00 N ATOM 0 H LYS A 26 12.229 9.026 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 26 10.207 7.678 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.695 9.193 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.112 7.839 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.895 8.905 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.342 10.199 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.536 10.877 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.060 11.013 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.979 9.086 -7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.406 8.415 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.460 9.350 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.052 10.222 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.577 10.871 -9.111 1.00 0.00 H new ATOM 433 N LEU A 27 11.657 5.575 -3.812 1.00 0.00 N ATOM 434 CA LEU A 27 12.369 4.316 -3.415 1.00 0.00 C ATOM 435 C LEU A 27 13.382 3.860 -4.482 1.00 0.00 C ATOM 436 O LEU A 27 13.045 3.612 -5.623 1.00 0.00 O ATOM 437 CB LEU A 27 11.294 3.218 -3.204 1.00 0.00 C ATOM 438 CG LEU A 27 11.574 2.327 -1.968 1.00 0.00 C ATOM 439 CD1 LEU A 27 12.819 1.458 -2.186 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.698 3.180 -0.684 1.00 0.00 C ATOM 0 H LEU A 27 10.865 5.441 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 27 12.936 4.499 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.318 3.690 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.244 2.590 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 27 10.724 1.657 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.992 0.843 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.666 0.815 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.684 2.098 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.894 2.529 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.519 3.889 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.768 3.724 -0.518 1.00 0.00 H new ATOM 452 N LYS A 28 14.613 3.681 -4.063 1.00 0.00 N ATOM 453 CA LYS A 28 15.682 3.161 -4.975 1.00 0.00 C ATOM 454 C LYS A 28 16.042 1.741 -4.517 1.00 0.00 C ATOM 455 O LYS A 28 15.784 1.364 -3.391 1.00 0.00 O ATOM 456 CB LYS A 28 16.930 4.057 -4.903 1.00 0.00 C ATOM 457 CG LYS A 28 16.509 5.516 -4.705 1.00 0.00 C ATOM 458 CD LYS A 28 17.642 6.456 -5.136 1.00 0.00 C ATOM 459 CE LYS A 28 18.983 6.018 -4.530 1.00 0.00 C ATOM 460 NZ LYS A 28 19.597 4.965 -5.387 1.00 0.00 N ATOM 0 H LYS A 28 14.927 3.877 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 28 15.323 3.156 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.571 3.739 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.514 3.958 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.611 5.726 -5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.259 5.691 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.717 6.466 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.413 7.475 -4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.654 6.873 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.830 5.637 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.620 5.135 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.434 4.031 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.167 4.993 -6.333 1.00 0.00 H new ATOM 474 N LYS A 29 16.631 0.948 -5.368 1.00 0.00 N ATOM 475 CA LYS A 29 16.993 -0.442 -4.955 1.00 0.00 C ATOM 476 C LYS A 29 17.774 -0.402 -3.633 1.00 0.00 C ATOM 477 O LYS A 29 17.566 -1.219 -2.755 1.00 0.00 O ATOM 478 CB LYS A 29 17.856 -1.097 -6.039 1.00 0.00 C ATOM 479 CG LYS A 29 16.998 -1.382 -7.278 1.00 0.00 C ATOM 480 CD LYS A 29 17.780 -2.267 -8.254 1.00 0.00 C ATOM 481 CE LYS A 29 19.029 -1.526 -8.742 1.00 0.00 C ATOM 482 NZ LYS A 29 19.514 -2.145 -10.008 1.00 0.00 N ATOM 0 H LYS A 29 16.877 1.197 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 29 16.081 -1.023 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.686 -0.442 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.289 -2.024 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.072 -1.877 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.720 -0.446 -7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.066 -3.198 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.150 -2.533 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.799 -0.473 -8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.809 -1.568 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.553 -2.110 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.200 -3.135 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.128 -1.622 -10.820 1.00 0.00 H new ATOM 496 N SER A 30 18.668 0.537 -3.486 1.00 0.00 N ATOM 497 CA SER A 30 19.461 0.630 -2.223 1.00 0.00 C ATOM 498 C SER A 30 18.514 0.710 -1.027 1.00 0.00 C ATOM 499 O SER A 30 18.892 0.440 0.089 1.00 0.00 O ATOM 500 CB SER A 30 20.322 1.895 -2.255 1.00 0.00 C ATOM 501 OG SER A 30 21.410 1.702 -3.148 1.00 0.00 O ATOM 0 H SER A 30 18.885 1.246 -4.186 1.00 0.00 H new ATOM 0 HA SER A 30 20.096 -0.252 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.723 2.748 -2.573 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.693 2.121 -1.255 1.00 0.00 H new ATOM 0 HG SER A 30 21.962 2.512 -3.171 1.00 0.00 H new ATOM 507 N GLU A 31 17.280 1.056 -1.268 1.00 0.00 N ATOM 508 CA GLU A 31 16.288 1.135 -0.165 1.00 0.00 C ATOM 509 C GLU A 31 15.404 -0.101 -0.220 1.00 0.00 C ATOM 510 O GLU A 31 14.998 -0.619 0.789 1.00 0.00 O ATOM 511 CB GLU A 31 15.475 2.414 -0.327 1.00 0.00 C ATOM 512 CG GLU A 31 16.350 3.615 0.045 1.00 0.00 C ATOM 513 CD GLU A 31 15.716 4.901 -0.488 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.550 4.858 -0.845 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.407 5.904 -0.531 1.00 0.00 O ATOM 0 H GLU A 31 16.915 1.289 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 31 16.779 1.165 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.124 2.509 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.591 2.381 0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.461 3.675 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.350 3.491 -0.371 1.00 0.00 H new ATOM 522 N LEU A 32 15.124 -0.591 -1.394 1.00 0.00 N ATOM 523 CA LEU A 32 14.271 -1.809 -1.502 1.00 0.00 C ATOM 524 C LEU A 32 15.049 -3.014 -0.967 1.00 0.00 C ATOM 525 O LEU A 32 14.561 -3.767 -0.149 1.00 0.00 O ATOM 526 CB LEU A 32 13.868 -2.026 -2.982 1.00 0.00 C ATOM 527 CG LEU A 32 12.406 -2.495 -3.089 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.986 -2.553 -4.569 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.266 -3.882 -2.456 1.00 0.00 C ATOM 0 H LEU A 32 15.447 -0.204 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 32 13.363 -1.687 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.998 -1.098 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.526 -2.766 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 32 11.761 -1.792 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.950 -2.885 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.081 -1.562 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.629 -3.253 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.230 -4.214 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.912 -4.587 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.555 -3.834 -1.406 1.00 0.00 H new ATOM 541 N LYS A 33 16.255 -3.193 -1.409 1.00 0.00 N ATOM 542 CA LYS A 33 17.062 -4.327 -0.919 1.00 0.00 C ATOM 543 C LYS A 33 17.441 -4.053 0.540 1.00 0.00 C ATOM 544 O LYS A 33 17.497 -4.950 1.357 1.00 0.00 O ATOM 545 CB LYS A 33 18.302 -4.414 -1.810 1.00 0.00 C ATOM 546 CG LYS A 33 19.230 -5.580 -1.387 1.00 0.00 C ATOM 547 CD LYS A 33 20.701 -5.156 -1.560 1.00 0.00 C ATOM 548 CE LYS A 33 21.186 -4.425 -0.301 1.00 0.00 C ATOM 549 NZ LYS A 33 22.627 -4.075 -0.455 1.00 0.00 N ATOM 0 H LYS A 33 16.718 -2.596 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 33 16.520 -5.272 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.996 -4.550 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.852 -3.474 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.039 -5.853 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.021 -6.462 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.322 -6.033 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.801 -4.506 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.596 -3.522 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.046 -5.057 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.957 -3.579 0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.183 -4.944 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.748 -3.457 -1.283 1.00 0.00 H new ATOM 563 N GLU A 34 17.712 -2.819 0.867 1.00 0.00 N ATOM 564 CA GLU A 34 18.098 -2.499 2.275 1.00 0.00 C ATOM 565 C GLU A 34 16.857 -2.491 3.163 1.00 0.00 C ATOM 566 O GLU A 34 16.914 -2.831 4.328 1.00 0.00 O ATOM 567 CB GLU A 34 18.780 -1.132 2.346 1.00 0.00 C ATOM 568 CG GLU A 34 19.299 -0.889 3.766 1.00 0.00 C ATOM 569 CD GLU A 34 19.926 0.503 3.850 1.00 0.00 C ATOM 570 OE1 GLU A 34 19.381 1.415 3.249 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.939 0.635 4.517 1.00 0.00 O ATOM 0 H GLU A 34 17.684 -2.024 0.229 1.00 0.00 H new ATOM 0 HA GLU A 34 18.794 -3.261 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.605 -1.089 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.076 -0.348 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.482 -0.975 4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.036 -1.648 4.030 1.00 0.00 H new ATOM 578 N LEU A 35 15.732 -2.110 2.632 1.00 0.00 N ATOM 579 CA LEU A 35 14.505 -2.094 3.467 1.00 0.00 C ATOM 580 C LEU A 35 14.044 -3.535 3.689 1.00 0.00 C ATOM 581 O LEU A 35 13.513 -3.877 4.728 1.00 0.00 O ATOM 582 CB LEU A 35 13.408 -1.294 2.757 1.00 0.00 C ATOM 583 CG LEU A 35 12.100 -1.357 3.554 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.317 -0.835 4.979 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.053 -0.491 2.854 1.00 0.00 C ATOM 0 H LEU A 35 15.610 -1.812 1.664 1.00 0.00 H new ATOM 0 HA LEU A 35 14.713 -1.624 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.722 -0.256 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.250 -1.692 1.755 1.00 0.00 H new ATOM 0 HG LEU A 35 11.762 -2.392 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.379 -0.886 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.068 -1.446 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.659 0.199 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.118 -0.528 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.406 0.539 2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.888 -0.865 1.844 1.00 0.00 H new ATOM 597 N ILE A 36 14.248 -4.384 2.718 1.00 0.00 N ATOM 598 CA ILE A 36 13.829 -5.804 2.869 1.00 0.00 C ATOM 599 C ILE A 36 14.739 -6.487 3.893 1.00 0.00 C ATOM 600 O ILE A 36 14.307 -7.308 4.675 1.00 0.00 O ATOM 601 CB ILE A 36 13.940 -6.510 1.508 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.782 -6.062 0.614 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.873 -8.030 1.688 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.027 -6.531 -0.821 1.00 0.00 C ATOM 0 H ILE A 36 14.687 -4.154 1.827 1.00 0.00 H new ATOM 0 HA ILE A 36 12.797 -5.857 3.215 1.00 0.00 H new ATOM 0 HB ILE A 36 14.894 -6.248 1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.843 -6.473 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.688 -4.976 0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.953 -8.515 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.694 -8.357 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.924 -8.300 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.200 -6.210 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.957 -6.099 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.099 -7.618 -0.841 1.00 0.00 H new ATOM 616 N ASN A 37 15.998 -6.155 3.885 1.00 0.00 N ATOM 617 CA ASN A 37 16.944 -6.784 4.848 1.00 0.00 C ATOM 618 C ASN A 37 16.797 -6.131 6.230 1.00 0.00 C ATOM 619 O ASN A 37 17.177 -6.694 7.237 1.00 0.00 O ATOM 620 CB ASN A 37 18.378 -6.605 4.338 1.00 0.00 C ATOM 621 CG ASN A 37 18.442 -6.988 2.857 1.00 0.00 C ATOM 622 OD1 ASN A 37 17.574 -7.677 2.359 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.437 -6.564 2.125 1.00 0.00 N ATOM 0 H ASN A 37 16.415 -5.473 3.251 1.00 0.00 H new ATOM 0 HA ASN A 37 16.718 -7.847 4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.697 -5.571 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.062 -7.227 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 37 19.485 -6.811 1.137 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.166 -5.985 2.542 1.00 0.00 H new ATOM 630 N ASN A 38 16.288 -4.928 6.283 1.00 0.00 N ATOM 631 CA ASN A 38 16.155 -4.227 7.605 1.00 0.00 C ATOM 632 C ASN A 38 14.787 -4.479 8.254 1.00 0.00 C ATOM 633 O ASN A 38 14.708 -4.713 9.443 1.00 0.00 O ATOM 634 CB ASN A 38 16.340 -2.721 7.396 1.00 0.00 C ATOM 635 CG ASN A 38 16.548 -2.036 8.748 1.00 0.00 C ATOM 636 OD1 ASN A 38 15.979 -2.442 9.743 1.00 0.00 O ATOM 637 ND2 ASN A 38 17.344 -1.002 8.826 1.00 0.00 N ATOM 0 H ASN A 38 15.959 -4.399 5.476 1.00 0.00 H new ATOM 0 HA ASN A 38 16.921 -4.623 8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.197 -2.536 6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.466 -2.303 6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.488 -0.536 9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.821 -0.662 7.991 1.00 0.00 H new ATOM 644 N GLU A 39 13.710 -4.413 7.508 1.00 0.00 N ATOM 645 CA GLU A 39 12.349 -4.628 8.116 1.00 0.00 C ATOM 646 C GLU A 39 11.743 -5.949 7.639 1.00 0.00 C ATOM 647 O GLU A 39 11.456 -6.828 8.426 1.00 0.00 O ATOM 648 CB GLU A 39 11.429 -3.479 7.703 1.00 0.00 C ATOM 649 CG GLU A 39 11.967 -2.160 8.259 1.00 0.00 C ATOM 650 CD GLU A 39 11.819 -2.139 9.781 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.695 -2.040 10.244 1.00 0.00 O ATOM 652 OE2 GLU A 39 12.830 -2.216 10.459 1.00 0.00 O ATOM 0 H GLU A 39 13.710 -4.220 6.506 1.00 0.00 H new ATOM 0 HA GLU A 39 12.453 -4.662 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.363 -3.426 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.420 -3.657 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.015 -2.040 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.425 -1.322 7.820 1.00 0.00 H new ATOM 659 N LEU A 40 11.522 -6.095 6.362 1.00 0.00 N ATOM 660 CA LEU A 40 10.909 -7.361 5.867 1.00 0.00 C ATOM 661 C LEU A 40 11.941 -8.490 5.881 1.00 0.00 C ATOM 662 O LEU A 40 11.884 -9.401 5.083 1.00 0.00 O ATOM 663 CB LEU A 40 10.350 -7.158 4.448 1.00 0.00 C ATOM 664 CG LEU A 40 9.799 -5.727 4.290 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.202 -5.580 2.886 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.717 -5.431 5.359 1.00 0.00 C ATOM 0 H LEU A 40 11.736 -5.401 5.646 1.00 0.00 H new ATOM 0 HA LEU A 40 10.087 -7.637 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.134 -7.337 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.559 -7.883 4.254 1.00 0.00 H new ATOM 0 HG LEU A 40 10.611 -5.014 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.809 -4.571 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.976 -5.762 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.396 -6.302 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.343 -4.416 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.894 -6.137 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.151 -5.531 6.354 1.00 0.00 H new ATOM 678 N SER A 41 12.866 -8.461 6.803 1.00 0.00 N ATOM 679 CA SER A 41 13.865 -9.563 6.876 1.00 0.00 C ATOM 680 C SER A 41 13.271 -10.706 7.701 1.00 0.00 C ATOM 681 O SER A 41 13.714 -11.835 7.629 1.00 0.00 O ATOM 682 CB SER A 41 15.131 -9.062 7.561 1.00 0.00 C ATOM 683 OG SER A 41 15.984 -10.166 7.829 1.00 0.00 O ATOM 0 H SER A 41 12.972 -7.727 7.503 1.00 0.00 H new ATOM 0 HA SER A 41 14.109 -9.907 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.641 -8.339 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.878 -8.548 8.489 1.00 0.00 H new ATOM 0 HG SER A 41 16.801 -9.849 8.268 1.00 0.00 H new ATOM 689 N HIS A 42 12.265 -10.418 8.491 1.00 0.00 N ATOM 690 CA HIS A 42 11.632 -11.479 9.329 1.00 0.00 C ATOM 691 C HIS A 42 10.476 -12.117 8.560 1.00 0.00 C ATOM 692 O HIS A 42 10.062 -13.222 8.850 1.00 0.00 O ATOM 693 CB HIS A 42 11.095 -10.854 10.618 1.00 0.00 C ATOM 694 CG HIS A 42 12.244 -10.460 11.505 1.00 0.00 C ATOM 695 ND1 HIS A 42 13.427 -9.939 10.997 1.00 0.00 N ATOM 696 CD2 HIS A 42 12.405 -10.500 12.868 1.00 0.00 C ATOM 697 CE1 HIS A 42 14.239 -9.688 12.041 1.00 0.00 C ATOM 698 NE2 HIS A 42 13.664 -10.012 13.200 1.00 0.00 N ATOM 0 H HIS A 42 11.855 -9.489 8.590 1.00 0.00 H new ATOM 0 HA HIS A 42 12.374 -12.240 9.570 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.487 -9.980 10.384 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.449 -11.563 11.136 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.668 -10.855 13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.233 -9.275 11.951 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.064 -9.921 14.134 1.00 0.00 H new ATOM 707 N PHE A 43 9.955 -11.426 7.578 1.00 0.00 N ATOM 708 CA PHE A 43 8.820 -11.977 6.771 1.00 0.00 C ATOM 709 C PHE A 43 9.336 -12.330 5.374 1.00 0.00 C ATOM 710 O PHE A 43 8.887 -13.277 4.762 1.00 0.00 O ATOM 711 CB PHE A 43 7.711 -10.916 6.671 1.00 0.00 C ATOM 712 CG PHE A 43 6.892 -10.924 7.947 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.484 -10.550 9.159 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.547 -11.316 7.918 1.00 0.00 C ATOM 715 CE1 PHE A 43 6.734 -10.567 10.341 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.796 -11.333 9.100 1.00 0.00 C ATOM 717 CZ PHE A 43 5.390 -10.959 10.312 1.00 0.00 C ATOM 0 H PHE A 43 10.268 -10.497 7.297 1.00 0.00 H new ATOM 0 HA PHE A 43 8.416 -12.871 7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.148 -9.930 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.071 -11.122 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.521 -10.248 9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.089 -11.605 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.192 -10.278 11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.759 -11.634 9.077 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.812 -10.973 11.224 1.00 0.00 H new ATOM 727 N LEU A 44 10.292 -11.580 4.877 1.00 0.00 N ATOM 728 CA LEU A 44 10.876 -11.865 3.523 1.00 0.00 C ATOM 729 C LEU A 44 12.344 -12.299 3.697 1.00 0.00 C ATOM 730 O LEU A 44 13.119 -11.641 4.360 1.00 0.00 O ATOM 731 CB LEU A 44 10.789 -10.579 2.660 1.00 0.00 C ATOM 732 CG LEU A 44 9.791 -10.748 1.502 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.362 -10.836 2.051 1.00 0.00 C ATOM 734 CD2 LEU A 44 9.900 -9.533 0.574 1.00 0.00 C ATOM 0 H LEU A 44 10.697 -10.775 5.355 1.00 0.00 H new ATOM 0 HA LEU A 44 10.325 -12.664 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.485 -9.739 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.775 -10.339 2.261 1.00 0.00 H new ATOM 0 HG LEU A 44 10.020 -11.663 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.661 -10.956 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.282 -11.692 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.126 -9.923 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.197 -9.641 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.667 -8.626 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.914 -9.466 0.180 1.00 0.00 H new ATOM 746 N GLU A 45 12.730 -13.401 3.111 1.00 0.00 N ATOM 747 CA GLU A 45 14.145 -13.861 3.255 1.00 0.00 C ATOM 748 C GLU A 45 15.101 -12.720 2.887 1.00 0.00 C ATOM 749 O GLU A 45 14.862 -11.978 1.955 1.00 0.00 O ATOM 750 CB GLU A 45 14.394 -15.059 2.329 1.00 0.00 C ATOM 751 CG GLU A 45 13.774 -14.797 0.954 1.00 0.00 C ATOM 752 CD GLU A 45 14.133 -15.948 0.010 1.00 0.00 C ATOM 753 OE1 GLU A 45 15.174 -16.552 0.216 1.00 0.00 O ATOM 754 OE2 GLU A 45 13.361 -16.208 -0.898 1.00 0.00 O ATOM 0 H GLU A 45 12.132 -14.000 2.542 1.00 0.00 H new ATOM 0 HA GLU A 45 14.322 -14.159 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.465 -15.233 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.964 -15.961 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.691 -14.707 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.140 -13.853 0.551 1.00 0.00 H new ATOM 761 N GLU A 46 16.188 -12.573 3.602 1.00 0.00 N ATOM 762 CA GLU A 46 17.147 -11.476 3.272 1.00 0.00 C ATOM 763 C GLU A 46 17.714 -11.703 1.869 1.00 0.00 C ATOM 764 O GLU A 46 18.570 -12.542 1.667 1.00 0.00 O ATOM 765 CB GLU A 46 18.295 -11.457 4.291 1.00 0.00 C ATOM 766 CG GLU A 46 19.195 -10.248 4.015 1.00 0.00 C ATOM 767 CD GLU A 46 20.185 -10.049 5.168 1.00 0.00 C ATOM 768 OE1 GLU A 46 19.821 -9.385 6.124 1.00 0.00 O ATOM 769 OE2 GLU A 46 21.290 -10.557 5.070 1.00 0.00 O ATOM 0 H GLU A 46 16.451 -13.160 4.394 1.00 0.00 H new ATOM 0 HA GLU A 46 16.624 -10.520 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.897 -11.405 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.873 -12.379 4.223 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.738 -10.396 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.586 -9.353 3.891 1.00 0.00 H new ATOM 776 N ILE A 47 17.248 -10.965 0.895 1.00 0.00 N ATOM 777 CA ILE A 47 17.773 -11.159 -0.485 1.00 0.00 C ATOM 778 C ILE A 47 19.248 -10.757 -0.537 1.00 0.00 C ATOM 779 O ILE A 47 19.635 -9.709 -0.061 1.00 0.00 O ATOM 780 CB ILE A 47 16.970 -10.316 -1.495 1.00 0.00 C ATOM 781 CG1 ILE A 47 17.314 -8.820 -1.351 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.473 -10.516 -1.256 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.355 -7.979 -2.205 1.00 0.00 C ATOM 0 H ILE A 47 16.534 -10.244 0.995 1.00 0.00 H new ATOM 0 HA ILE A 47 17.671 -12.211 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 47 17.231 -10.642 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 47 17.242 -8.520 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.343 -8.643 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.907 -9.919 -1.971 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.222 -11.569 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 47 15.221 -10.203 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.604 -6.923 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.449 -8.270 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.330 -8.146 -1.873 1.00 0.00 H new ATOM 795 N LYS A 48 20.069 -11.582 -1.130 1.00 0.00 N ATOM 796 CA LYS A 48 21.524 -11.266 -1.249 1.00 0.00 C ATOM 797 C LYS A 48 21.802 -10.864 -2.697 1.00 0.00 C ATOM 798 O LYS A 48 22.848 -10.340 -3.025 1.00 0.00 O ATOM 799 CB LYS A 48 22.335 -12.511 -0.894 1.00 0.00 C ATOM 800 CG LYS A 48 22.129 -12.831 0.586 1.00 0.00 C ATOM 801 CD LYS A 48 22.757 -14.188 0.910 1.00 0.00 C ATOM 802 CE LYS A 48 22.620 -14.469 2.407 1.00 0.00 C ATOM 803 NZ LYS A 48 23.452 -13.497 3.170 1.00 0.00 N ATOM 0 H LYS A 48 19.791 -12.472 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 48 21.801 -10.456 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.020 -13.354 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.392 -12.343 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.580 -12.054 1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.065 -12.846 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.267 -14.974 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.809 -14.192 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.576 -14.387 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.937 -15.488 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.667 -13.887 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.340 -13.322 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.932 -12.603 3.276 1.00 0.00 H new ATOM 817 N GLU A 49 20.852 -11.120 -3.565 1.00 0.00 N ATOM 818 CA GLU A 49 21.008 -10.777 -5.013 1.00 0.00 C ATOM 819 C GLU A 49 19.852 -9.871 -5.438 1.00 0.00 C ATOM 820 O GLU A 49 18.695 -10.220 -5.316 1.00 0.00 O ATOM 821 CB GLU A 49 20.973 -12.058 -5.854 1.00 0.00 C ATOM 822 CG GLU A 49 21.949 -13.092 -5.285 1.00 0.00 C ATOM 823 CD GLU A 49 21.713 -14.437 -5.973 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.052 -14.549 -7.140 1.00 0.00 O ATOM 825 OE2 GLU A 49 21.194 -15.329 -5.324 1.00 0.00 O ATOM 0 H GLU A 49 19.962 -11.559 -3.327 1.00 0.00 H new ATOM 0 HA GLU A 49 21.960 -10.268 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.963 -12.468 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.235 -11.830 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.977 -12.765 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.807 -13.190 -4.209 1.00 0.00 H new ATOM 832 N GLN A 50 20.158 -8.712 -5.936 1.00 0.00 N ATOM 833 CA GLN A 50 19.083 -7.779 -6.366 1.00 0.00 C ATOM 834 C GLN A 50 18.237 -8.431 -7.466 1.00 0.00 C ATOM 835 O GLN A 50 17.146 -7.992 -7.767 1.00 0.00 O ATOM 836 CB GLN A 50 19.726 -6.496 -6.901 1.00 0.00 C ATOM 837 CG GLN A 50 20.807 -6.848 -7.925 1.00 0.00 C ATOM 838 CD GLN A 50 21.459 -5.563 -8.437 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.643 -5.530 -8.700 1.00 0.00 O ATOM 840 NE2 GLN A 50 20.725 -4.495 -8.592 1.00 0.00 N ATOM 0 H GLN A 50 21.109 -8.367 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 50 18.439 -7.545 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 50 18.968 -5.863 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.161 -5.926 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.558 -7.494 -7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.370 -7.403 -8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.730 -4.524 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.147 -3.632 -8.935 1.00 0.00 H new ATOM 849 N GLU A 51 18.738 -9.464 -8.082 1.00 0.00 N ATOM 850 CA GLU A 51 17.983 -10.133 -9.178 1.00 0.00 C ATOM 851 C GLU A 51 16.514 -10.310 -8.810 1.00 0.00 C ATOM 852 O GLU A 51 15.640 -10.109 -9.633 1.00 0.00 O ATOM 853 CB GLU A 51 18.615 -11.498 -9.465 1.00 0.00 C ATOM 854 CG GLU A 51 18.000 -12.106 -10.727 1.00 0.00 C ATOM 855 CD GLU A 51 18.637 -13.475 -10.988 1.00 0.00 C ATOM 856 OE1 GLU A 51 18.165 -14.444 -10.415 1.00 0.00 O ATOM 857 OE2 GLU A 51 19.587 -13.528 -11.750 1.00 0.00 O ATOM 0 H GLU A 51 19.646 -9.877 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 51 18.032 -9.504 -10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.692 -11.390 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.459 -12.165 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.922 -12.210 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.163 -11.447 -11.580 1.00 0.00 H new ATOM 864 N VAL A 52 16.212 -10.658 -7.595 1.00 0.00 N ATOM 865 CA VAL A 52 14.781 -10.806 -7.224 1.00 0.00 C ATOM 866 C VAL A 52 14.211 -9.411 -7.080 1.00 0.00 C ATOM 867 O VAL A 52 13.088 -9.141 -7.460 1.00 0.00 O ATOM 868 CB VAL A 52 14.656 -11.604 -5.914 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.709 -11.123 -4.916 1.00 0.00 C ATOM 870 CG2 VAL A 52 13.258 -11.423 -5.304 1.00 0.00 C ATOM 0 H VAL A 52 16.884 -10.845 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 52 14.228 -11.356 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 52 14.811 -12.660 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.618 -11.690 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.704 -11.272 -5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.557 -10.064 -4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.188 -11.994 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.087 -10.367 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.505 -11.779 -6.008 1.00 0.00 H new ATOM 880 N VAL A 53 14.983 -8.508 -6.562 1.00 0.00 N ATOM 881 CA VAL A 53 14.487 -7.123 -6.430 1.00 0.00 C ATOM 882 C VAL A 53 14.265 -6.615 -7.854 1.00 0.00 C ATOM 883 O VAL A 53 13.452 -5.758 -8.105 1.00 0.00 O ATOM 884 CB VAL A 53 15.519 -6.270 -5.630 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.248 -5.256 -6.527 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.810 -5.495 -4.519 1.00 0.00 C ATOM 0 H VAL A 53 15.932 -8.669 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 53 13.552 -7.059 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 53 16.249 -6.965 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.957 -4.684 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.783 -5.786 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.521 -4.578 -6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.539 -4.903 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.062 -4.834 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.323 -6.195 -3.841 1.00 0.00 H new ATOM 896 N ASP A 54 14.971 -7.181 -8.796 1.00 0.00 N ATOM 897 CA ASP A 54 14.785 -6.764 -10.209 1.00 0.00 C ATOM 898 C ASP A 54 13.502 -7.416 -10.714 1.00 0.00 C ATOM 899 O ASP A 54 12.766 -6.852 -11.500 1.00 0.00 O ATOM 900 CB ASP A 54 15.980 -7.218 -11.055 1.00 0.00 C ATOM 901 CG ASP A 54 15.910 -6.555 -12.432 1.00 0.00 C ATOM 902 OD1 ASP A 54 15.140 -7.021 -13.255 1.00 0.00 O ATOM 903 OD2 ASP A 54 16.629 -5.591 -12.640 1.00 0.00 O ATOM 0 H ASP A 54 15.666 -7.912 -8.645 1.00 0.00 H new ATOM 0 HA ASP A 54 14.716 -5.679 -10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.913 -6.952 -10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.973 -8.303 -11.161 1.00 0.00 H new ATOM 908 N LYS A 55 13.223 -8.601 -10.244 1.00 0.00 N ATOM 909 CA LYS A 55 11.977 -9.302 -10.667 1.00 0.00 C ATOM 910 C LYS A 55 10.773 -8.651 -9.975 1.00 0.00 C ATOM 911 O LYS A 55 9.834 -8.221 -10.617 1.00 0.00 O ATOM 912 CB LYS A 55 12.053 -10.781 -10.260 1.00 0.00 C ATOM 913 CG LYS A 55 10.851 -11.568 -10.851 1.00 0.00 C ATOM 914 CD LYS A 55 10.293 -12.559 -9.813 1.00 0.00 C ATOM 915 CE LYS A 55 9.346 -11.834 -8.853 1.00 0.00 C ATOM 916 NZ LYS A 55 8.755 -12.819 -7.902 1.00 0.00 N ATOM 0 H LYS A 55 13.806 -9.115 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 55 11.869 -9.228 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.989 -11.214 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.053 -10.866 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.069 -10.873 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.166 -12.107 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.764 -13.367 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.112 -13.013 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.887 -11.062 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.556 -11.333 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.111 -12.328 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.226 -13.540 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.515 -13.277 -7.360 1.00 0.00 H new ATOM 930 N VAL A 56 10.799 -8.574 -8.670 1.00 0.00 N ATOM 931 CA VAL A 56 9.655 -7.946 -7.941 1.00 0.00 C ATOM 932 C VAL A 56 9.389 -6.569 -8.552 1.00 0.00 C ATOM 933 O VAL A 56 8.258 -6.189 -8.794 1.00 0.00 O ATOM 934 CB VAL A 56 9.980 -7.832 -6.434 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.833 -6.588 -6.150 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.675 -7.739 -5.631 1.00 0.00 C ATOM 0 H VAL A 56 11.557 -8.916 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 56 8.762 -8.563 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 56 10.541 -8.718 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.048 -6.530 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.768 -6.654 -6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.289 -5.695 -6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.906 -7.659 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.115 -6.859 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.076 -8.633 -5.805 1.00 0.00 H new ATOM 946 N MET A 57 10.429 -5.827 -8.820 1.00 0.00 N ATOM 947 CA MET A 57 10.249 -4.482 -9.431 1.00 0.00 C ATOM 948 C MET A 57 9.595 -4.652 -10.801 1.00 0.00 C ATOM 949 O MET A 57 8.885 -3.789 -11.273 1.00 0.00 O ATOM 950 CB MET A 57 11.614 -3.801 -9.579 1.00 0.00 C ATOM 951 CG MET A 57 12.184 -3.460 -8.191 1.00 0.00 C ATOM 952 SD MET A 57 11.585 -1.831 -7.678 1.00 0.00 S ATOM 953 CE MET A 57 13.072 -0.893 -8.105 1.00 0.00 C ATOM 0 H MET A 57 11.397 -6.096 -8.641 1.00 0.00 H new ATOM 0 HA MET A 57 9.615 -3.862 -8.798 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.301 -4.457 -10.112 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.514 -2.893 -10.174 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.882 -4.216 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.274 -3.466 -8.222 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.847 0.173 -8.087 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.859 -1.110 -7.383 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.407 -1.176 -9.103 1.00 0.00 H new ATOM 963 N GLU A 58 9.810 -5.775 -11.434 1.00 0.00 N ATOM 964 CA GLU A 58 9.180 -6.019 -12.762 1.00 0.00 C ATOM 965 C GLU A 58 7.673 -6.144 -12.557 1.00 0.00 C ATOM 966 O GLU A 58 6.880 -5.678 -13.351 1.00 0.00 O ATOM 967 CB GLU A 58 9.732 -7.323 -13.361 1.00 0.00 C ATOM 968 CG GLU A 58 9.493 -7.345 -14.875 1.00 0.00 C ATOM 969 CD GLU A 58 10.470 -6.389 -15.563 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.616 -6.769 -15.737 1.00 0.00 O ATOM 971 OE2 GLU A 58 10.055 -5.293 -15.902 1.00 0.00 O ATOM 0 H GLU A 58 10.396 -6.534 -11.087 1.00 0.00 H new ATOM 0 HA GLU A 58 9.400 -5.198 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.798 -7.407 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.247 -8.181 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.626 -8.356 -15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.466 -7.053 -15.096 1.00 0.00 H new ATOM 978 N THR A 59 7.283 -6.774 -11.487 1.00 0.00 N ATOM 979 CA THR A 59 5.835 -6.944 -11.198 1.00 0.00 C ATOM 980 C THR A 59 5.273 -5.663 -10.582 1.00 0.00 C ATOM 981 O THR A 59 4.097 -5.383 -10.693 1.00 0.00 O ATOM 982 CB THR A 59 5.656 -8.095 -10.212 1.00 0.00 C ATOM 983 OG1 THR A 59 6.207 -9.283 -10.769 1.00 0.00 O ATOM 984 CG2 THR A 59 4.167 -8.296 -9.927 1.00 0.00 C ATOM 0 H THR A 59 7.911 -7.182 -10.794 1.00 0.00 H new ATOM 0 HA THR A 59 5.304 -7.159 -12.125 1.00 0.00 H new ATOM 0 HB THR A 59 6.170 -7.863 -9.279 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.095 -10.023 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.039 -9.118 -9.223 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.752 -7.384 -9.499 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.647 -8.530 -10.856 1.00 0.00 H new ATOM 992 N LEU A 60 6.098 -4.889 -9.918 1.00 0.00 N ATOM 993 CA LEU A 60 5.592 -3.629 -9.273 1.00 0.00 C ATOM 994 C LEU A 60 5.886 -2.412 -10.158 1.00 0.00 C ATOM 995 O LEU A 60 5.032 -1.567 -10.344 1.00 0.00 O ATOM 996 CB LEU A 60 6.275 -3.453 -7.906 1.00 0.00 C ATOM 997 CG LEU A 60 5.481 -4.174 -6.802 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.116 -3.487 -6.570 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.273 -5.646 -7.187 1.00 0.00 C ATOM 0 H LEU A 60 7.094 -5.071 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 60 4.513 -3.707 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.290 -3.848 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.356 -2.392 -7.669 1.00 0.00 H new ATOM 0 HG LEU A 60 6.051 -4.122 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.572 -4.014 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.276 -2.452 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.535 -3.510 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.710 -6.151 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.719 -5.702 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.242 -6.131 -7.309 1.00 0.00 H new ATOM 1011 N ASP A 61 7.060 -2.298 -10.715 1.00 0.00 N ATOM 1012 CA ASP A 61 7.347 -1.119 -11.582 1.00 0.00 C ATOM 1013 C ASP A 61 6.299 -1.043 -12.682 1.00 0.00 C ATOM 1014 O ASP A 61 6.367 -1.728 -13.682 1.00 0.00 O ATOM 1015 CB ASP A 61 8.742 -1.285 -12.182 1.00 0.00 C ATOM 1016 CG ASP A 61 9.164 0.004 -12.879 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.438 0.973 -12.768 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.206 -0.002 -13.512 1.00 0.00 O ATOM 0 H ASP A 61 7.827 -2.963 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 61 7.312 -0.197 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.457 -1.536 -11.398 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.746 -2.111 -12.893 1.00 0.00 H new ATOM 1023 N GLU A 62 5.319 -0.208 -12.488 1.00 0.00 N ATOM 1024 CA GLU A 62 4.236 -0.064 -13.502 1.00 0.00 C ATOM 1025 C GLU A 62 4.633 1.022 -14.486 1.00 0.00 C ATOM 1026 O GLU A 62 4.417 0.906 -15.676 1.00 0.00 O ATOM 1027 CB GLU A 62 2.924 0.309 -12.809 1.00 0.00 C ATOM 1028 CG GLU A 62 3.093 1.631 -12.058 1.00 0.00 C ATOM 1029 CD GLU A 62 1.857 1.884 -11.193 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.851 1.439 -10.058 1.00 0.00 O ATOM 1031 OE2 GLU A 62 0.935 2.519 -11.681 1.00 0.00 O ATOM 0 H GLU A 62 5.220 0.386 -11.665 1.00 0.00 H new ATOM 0 HA GLU A 62 4.093 -1.006 -14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.125 0.398 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.631 -0.479 -12.115 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.986 1.596 -11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.230 2.449 -12.765 1.00 0.00 H new ATOM 1038 N ASP A 63 5.241 2.066 -14.010 1.00 0.00 N ATOM 1039 CA ASP A 63 5.677 3.131 -14.936 1.00 0.00 C ATOM 1040 C ASP A 63 6.922 2.617 -15.648 1.00 0.00 C ATOM 1041 O ASP A 63 7.450 3.251 -16.541 1.00 0.00 O ATOM 1042 CB ASP A 63 6.002 4.411 -14.156 1.00 0.00 C ATOM 1043 CG ASP A 63 6.734 4.055 -12.862 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.458 3.077 -12.867 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.560 4.771 -11.888 1.00 0.00 O ATOM 0 H ASP A 63 5.453 2.225 -13.025 1.00 0.00 H new ATOM 0 HA ASP A 63 4.891 3.371 -15.652 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.619 5.072 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.084 4.953 -13.928 1.00 0.00 H new ATOM 1050 N GLY A 64 7.398 1.456 -15.257 1.00 0.00 N ATOM 1051 CA GLY A 64 8.610 0.897 -15.916 1.00 0.00 C ATOM 1052 C GLY A 64 9.745 1.897 -15.758 1.00 0.00 C ATOM 1053 O GLY A 64 10.448 2.211 -16.698 1.00 0.00 O ATOM 0 H GLY A 64 6.999 0.880 -14.516 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.880 -0.058 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.415 0.708 -16.972 1.00 0.00 H new ATOM 1057 N ASP A 65 9.913 2.420 -14.571 1.00 0.00 N ATOM 1058 CA ASP A 65 10.984 3.433 -14.331 1.00 0.00 C ATOM 1059 C ASP A 65 12.147 2.800 -13.569 1.00 0.00 C ATOM 1060 O ASP A 65 13.158 3.430 -13.332 1.00 0.00 O ATOM 1061 CB ASP A 65 10.393 4.577 -13.507 1.00 0.00 C ATOM 1062 CG ASP A 65 9.944 4.042 -12.145 1.00 0.00 C ATOM 1063 OD1 ASP A 65 9.942 2.834 -11.976 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.607 4.850 -11.295 1.00 0.00 O ATOM 0 H ASP A 65 9.351 2.187 -13.752 1.00 0.00 H new ATOM 0 HA ASP A 65 11.356 3.807 -15.285 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.134 5.365 -13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.547 5.020 -14.033 1.00 0.00 H new ATOM 1069 N GLY A 66 12.017 1.566 -13.173 1.00 0.00 N ATOM 1070 CA GLY A 66 13.131 0.923 -12.419 1.00 0.00 C ATOM 1071 C GLY A 66 13.099 1.436 -10.983 1.00 0.00 C ATOM 1072 O GLY A 66 13.857 1.007 -10.137 1.00 0.00 O ATOM 0 H GLY A 66 11.199 0.979 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.025 -0.162 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.089 1.157 -12.884 1.00 0.00 H new ATOM 1076 N GLU A 67 12.205 2.352 -10.710 1.00 0.00 N ATOM 1077 CA GLU A 67 12.068 2.917 -9.333 1.00 0.00 C ATOM 1078 C GLU A 67 10.644 2.645 -8.849 1.00 0.00 C ATOM 1079 O GLU A 67 9.785 2.264 -9.621 1.00 0.00 O ATOM 1080 CB GLU A 67 12.325 4.425 -9.367 1.00 0.00 C ATOM 1081 CG GLU A 67 13.792 4.683 -9.728 1.00 0.00 C ATOM 1082 CD GLU A 67 14.005 6.174 -10.004 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.043 6.834 -10.354 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.130 6.628 -9.862 1.00 0.00 O ATOM 0 H GLU A 67 11.554 2.738 -11.394 1.00 0.00 H new ATOM 0 HA GLU A 67 12.790 2.455 -8.660 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.670 4.900 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.094 4.866 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.439 4.359 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.068 4.098 -10.606 1.00 0.00 H new ATOM 1091 N CYS A 68 10.390 2.815 -7.577 1.00 0.00 N ATOM 1092 CA CYS A 68 9.022 2.544 -7.031 1.00 0.00 C ATOM 1093 C CYS A 68 8.513 3.763 -6.253 1.00 0.00 C ATOM 1094 O CYS A 68 8.768 3.913 -5.076 1.00 0.00 O ATOM 1095 CB CYS A 68 9.095 1.322 -6.105 1.00 0.00 C ATOM 1096 SG CYS A 68 9.000 -0.189 -7.096 1.00 0.00 S ATOM 0 H CYS A 68 11.073 3.131 -6.888 1.00 0.00 H new ATOM 0 HA CYS A 68 8.331 2.346 -7.851 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.024 1.339 -5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.278 1.349 -5.384 1.00 0.00 H new ATOM 0 HG CYS A 68 10.166 -0.763 -7.125 1.00 0.00 H new ATOM 1102 N ASP A 69 7.806 4.643 -6.913 1.00 0.00 N ATOM 1103 CA ASP A 69 7.284 5.849 -6.210 1.00 0.00 C ATOM 1104 C ASP A 69 6.512 5.396 -4.968 1.00 0.00 C ATOM 1105 O ASP A 69 6.475 4.226 -4.653 1.00 0.00 O ATOM 1106 CB ASP A 69 6.353 6.642 -7.134 1.00 0.00 C ATOM 1107 CG ASP A 69 6.966 6.735 -8.534 1.00 0.00 C ATOM 1108 OD1 ASP A 69 8.049 6.207 -8.724 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.340 7.334 -9.393 1.00 0.00 O ATOM 0 H ASP A 69 7.569 4.578 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 69 8.116 6.491 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.378 6.157 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.191 7.642 -6.731 1.00 0.00 H new ATOM 1114 N PHE A 70 5.890 6.305 -4.264 1.00 0.00 N ATOM 1115 CA PHE A 70 5.121 5.919 -3.040 1.00 0.00 C ATOM 1116 C PHE A 70 3.863 5.125 -3.422 1.00 0.00 C ATOM 1117 O PHE A 70 3.359 4.335 -2.649 1.00 0.00 O ATOM 1118 CB PHE A 70 4.711 7.187 -2.268 1.00 0.00 C ATOM 1119 CG PHE A 70 4.470 8.327 -3.232 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.326 8.337 -4.037 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.396 9.375 -3.322 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.108 9.390 -4.932 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.179 10.427 -4.219 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.035 10.434 -5.024 1.00 0.00 C ATOM 0 H PHE A 70 5.880 7.301 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 70 5.755 5.293 -2.412 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.808 6.993 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.493 7.459 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.610 7.531 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.278 9.371 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.224 9.397 -5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.894 11.233 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.867 11.245 -5.717 1.00 0.00 H new ATOM 1134 N GLN A 71 3.327 5.369 -4.580 1.00 0.00 N ATOM 1135 CA GLN A 71 2.076 4.680 -4.990 1.00 0.00 C ATOM 1136 C GLN A 71 2.304 3.185 -5.224 1.00 0.00 C ATOM 1137 O GLN A 71 1.537 2.358 -4.759 1.00 0.00 O ATOM 1138 CB GLN A 71 1.538 5.336 -6.267 1.00 0.00 C ATOM 1139 CG GLN A 71 0.205 4.695 -6.645 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.367 5.384 -7.886 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -0.315 4.844 -8.974 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -0.916 6.562 -7.771 1.00 0.00 N ATOM 0 H GLN A 71 3.705 6.022 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 71 1.349 4.777 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.408 6.407 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.255 5.217 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.344 3.632 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.497 4.778 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.961 7.017 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.300 7.028 -8.593 1.00 0.00 H new ATOM 1151 N GLU A 72 3.349 2.805 -5.909 1.00 0.00 N ATOM 1152 CA GLU A 72 3.589 1.349 -6.132 1.00 0.00 C ATOM 1153 C GLU A 72 4.458 0.815 -4.997 1.00 0.00 C ATOM 1154 O GLU A 72 4.331 -0.319 -4.586 1.00 0.00 O ATOM 1155 CB GLU A 72 4.273 1.132 -7.489 1.00 0.00 C ATOM 1156 CG GLU A 72 5.688 1.771 -7.509 1.00 0.00 C ATOM 1157 CD GLU A 72 5.916 2.514 -8.832 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.760 1.894 -9.871 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.243 3.687 -8.781 1.00 0.00 O ATOM 0 H GLU A 72 4.041 3.432 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 72 2.641 0.811 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.350 0.064 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.663 1.566 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.795 2.462 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.446 0.998 -7.383 1.00 0.00 H new ATOM 1166 N PHE A 73 5.336 1.620 -4.473 1.00 0.00 N ATOM 1167 CA PHE A 73 6.189 1.136 -3.354 1.00 0.00 C ATOM 1168 C PHE A 73 5.293 0.540 -2.275 1.00 0.00 C ATOM 1169 O PHE A 73 5.552 -0.522 -1.753 1.00 0.00 O ATOM 1170 CB PHE A 73 6.997 2.297 -2.771 1.00 0.00 C ATOM 1171 CG PHE A 73 7.582 1.907 -1.430 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.383 0.765 -1.321 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.307 2.683 -0.296 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.912 0.402 -0.080 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.834 2.318 0.942 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.635 1.180 1.052 1.00 0.00 C ATOM 0 H PHE A 73 5.500 2.583 -4.767 1.00 0.00 H new ATOM 0 HA PHE A 73 6.881 0.379 -3.722 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.797 2.574 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.358 3.173 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.592 0.165 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.687 3.563 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.534 -0.477 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.622 2.916 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.042 0.899 2.012 1.00 0.00 H new ATOM 1186 N MET A 74 4.231 1.196 -1.936 1.00 0.00 N ATOM 1187 CA MET A 74 3.358 0.605 -0.910 1.00 0.00 C ATOM 1188 C MET A 74 2.775 -0.658 -1.524 1.00 0.00 C ATOM 1189 O MET A 74 2.667 -1.687 -0.886 1.00 0.00 O ATOM 1190 CB MET A 74 2.249 1.601 -0.528 1.00 0.00 C ATOM 1191 CG MET A 74 1.763 1.350 0.909 1.00 0.00 C ATOM 1192 SD MET A 74 0.924 2.831 1.527 1.00 0.00 S ATOM 1193 CE MET A 74 -0.412 1.994 2.412 1.00 0.00 C ATOM 0 H MET A 74 3.936 2.095 -2.316 1.00 0.00 H new ATOM 0 HA MET A 74 3.905 0.371 0.003 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.623 2.621 -0.618 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.413 1.506 -1.221 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.084 0.498 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.607 1.102 1.552 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.816 2.660 3.174 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.201 1.725 1.710 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.025 1.092 2.886 1.00 0.00 H new ATOM 1203 N ALA A 75 2.399 -0.578 -2.768 1.00 0.00 N ATOM 1204 CA ALA A 75 1.821 -1.783 -3.425 1.00 0.00 C ATOM 1205 C ALA A 75 2.775 -2.966 -3.234 1.00 0.00 C ATOM 1206 O ALA A 75 2.367 -4.109 -3.276 1.00 0.00 O ATOM 1207 CB ALA A 75 1.598 -1.520 -4.913 1.00 0.00 C ATOM 0 H ALA A 75 2.465 0.256 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 75 0.858 -2.016 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.175 -2.409 -5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.910 -0.684 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.550 -1.279 -5.387 1.00 0.00 H new ATOM 1213 N PHE A 76 4.037 -2.710 -3.000 1.00 0.00 N ATOM 1214 CA PHE A 76 4.977 -3.850 -2.787 1.00 0.00 C ATOM 1215 C PHE A 76 4.626 -4.498 -1.450 1.00 0.00 C ATOM 1216 O PHE A 76 4.406 -5.691 -1.373 1.00 0.00 O ATOM 1217 CB PHE A 76 6.440 -3.366 -2.794 1.00 0.00 C ATOM 1218 CG PHE A 76 7.360 -4.408 -2.180 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.305 -5.743 -2.602 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.275 -4.028 -1.186 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.161 -6.693 -2.029 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.127 -4.977 -0.615 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.072 -6.309 -1.036 1.00 0.00 C ATOM 0 H PHE A 76 4.451 -1.779 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 76 4.877 -4.575 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.753 -3.157 -3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.521 -2.432 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.604 -6.039 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.321 -2.999 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.119 -7.722 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.828 -4.681 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.732 -7.042 -0.596 1.00 0.00 H new ATOM 1233 N VAL A 77 4.546 -3.730 -0.396 1.00 0.00 N ATOM 1234 CA VAL A 77 4.179 -4.345 0.913 1.00 0.00 C ATOM 1235 C VAL A 77 2.815 -5.018 0.767 1.00 0.00 C ATOM 1236 O VAL A 77 2.523 -6.021 1.380 1.00 0.00 O ATOM 1237 CB VAL A 77 4.095 -3.275 1.999 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.650 -3.921 3.310 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.465 -2.643 2.199 1.00 0.00 C ATOM 0 H VAL A 77 4.715 -2.724 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 77 4.939 -5.073 1.196 1.00 0.00 H new ATOM 0 HB VAL A 77 3.378 -2.510 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.589 -3.160 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.671 -4.381 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.372 -4.683 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.404 -1.879 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.179 -3.410 2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.795 -2.187 1.266 1.00 0.00 H new ATOM 1249 N SER A 78 1.979 -4.480 -0.057 1.00 0.00 N ATOM 1250 CA SER A 78 0.648 -5.093 -0.263 1.00 0.00 C ATOM 1251 C SER A 78 0.858 -6.463 -0.891 1.00 0.00 C ATOM 1252 O SER A 78 0.096 -7.385 -0.686 1.00 0.00 O ATOM 1253 CB SER A 78 -0.159 -4.217 -1.213 1.00 0.00 C ATOM 1254 OG SER A 78 0.160 -4.571 -2.548 1.00 0.00 O ATOM 0 H SER A 78 2.158 -3.637 -0.602 1.00 0.00 H new ATOM 0 HA SER A 78 0.113 -5.187 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.226 -4.349 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.066 -3.165 -1.038 1.00 0.00 H new ATOM 0 HG SER A 78 1.133 -4.577 -2.661 1.00 0.00 H new ATOM 1260 N MET A 79 1.902 -6.596 -1.658 1.00 0.00 N ATOM 1261 CA MET A 79 2.186 -7.896 -2.312 1.00 0.00 C ATOM 1262 C MET A 79 2.774 -8.863 -1.289 1.00 0.00 C ATOM 1263 O MET A 79 2.541 -10.055 -1.348 1.00 0.00 O ATOM 1264 CB MET A 79 3.173 -7.695 -3.466 1.00 0.00 C ATOM 1265 CG MET A 79 3.421 -9.036 -4.188 1.00 0.00 C ATOM 1266 SD MET A 79 3.645 -8.733 -5.962 1.00 0.00 S ATOM 1267 CE MET A 79 5.451 -8.806 -5.999 1.00 0.00 C ATOM 0 H MET A 79 2.573 -5.855 -1.859 1.00 0.00 H new ATOM 0 HA MET A 79 1.259 -8.310 -2.708 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.779 -6.961 -4.169 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.114 -7.298 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.304 -9.525 -3.777 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.580 -9.710 -4.026 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.803 -8.606 -7.011 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.859 -8.058 -5.319 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.781 -9.797 -5.689 1.00 0.00 H new ATOM 1277 N VAL A 80 3.502 -8.364 -0.324 1.00 0.00 N ATOM 1278 CA VAL A 80 4.056 -9.271 0.720 1.00 0.00 C ATOM 1279 C VAL A 80 2.959 -9.435 1.752 1.00 0.00 C ATOM 1280 O VAL A 80 2.807 -10.478 2.355 1.00 0.00 O ATOM 1281 CB VAL A 80 5.355 -8.701 1.349 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.154 -7.956 0.280 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.051 -7.750 2.512 1.00 0.00 C ATOM 0 H VAL A 80 3.734 -7.377 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 80 4.343 -10.232 0.293 1.00 0.00 H new ATOM 0 HB VAL A 80 5.934 -9.538 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.067 -7.555 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.412 -8.643 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.554 -7.138 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.985 -7.372 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.449 -6.915 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.502 -8.286 3.286 1.00 0.00 H new ATOM 1293 N THR A 81 2.160 -8.413 1.937 1.00 0.00 N ATOM 1294 CA THR A 81 1.047 -8.533 2.906 1.00 0.00 C ATOM 1295 C THR A 81 0.039 -9.511 2.336 1.00 0.00 C ATOM 1296 O THR A 81 -0.559 -10.288 3.052 1.00 0.00 O ATOM 1297 CB THR A 81 0.352 -7.182 3.100 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.317 -6.186 3.388 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.657 -7.276 4.251 1.00 0.00 C ATOM 0 H THR A 81 2.235 -7.514 1.461 1.00 0.00 H new ATOM 0 HA THR A 81 1.437 -8.871 3.866 1.00 0.00 H new ATOM 0 HB THR A 81 -0.176 -6.916 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.932 -6.097 2.630 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.148 -6.312 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.404 -8.035 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.137 -7.548 5.169 1.00 0.00 H new ATOM 1307 N THR A 82 -0.177 -9.469 1.048 1.00 0.00 N ATOM 1308 CA THR A 82 -1.171 -10.394 0.446 1.00 0.00 C ATOM 1309 C THR A 82 -0.732 -11.841 0.680 1.00 0.00 C ATOM 1310 O THR A 82 -1.548 -12.703 0.938 1.00 0.00 O ATOM 1311 CB THR A 82 -1.276 -10.097 -1.051 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.025 -9.871 -1.566 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.149 -8.844 -1.276 1.00 0.00 C ATOM 0 H THR A 82 0.289 -8.839 0.395 1.00 0.00 H new ATOM 0 HA THR A 82 -2.148 -10.252 0.909 1.00 0.00 H new ATOM 0 HB THR A 82 -1.735 -10.943 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.684 -10.323 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.220 -8.637 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.147 -9.018 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.697 -7.990 -0.770 1.00 0.00 H new ATOM 1321 N ALA A 83 0.545 -12.127 0.615 1.00 0.00 N ATOM 1322 CA ALA A 83 0.991 -13.525 0.864 1.00 0.00 C ATOM 1323 C ALA A 83 0.748 -13.841 2.338 1.00 0.00 C ATOM 1324 O ALA A 83 0.206 -14.871 2.687 1.00 0.00 O ATOM 1325 CB ALA A 83 2.486 -13.657 0.550 1.00 0.00 C ATOM 0 H ALA A 83 1.287 -11.460 0.403 1.00 0.00 H new ATOM 0 HA ALA A 83 0.438 -14.217 0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.807 -14.682 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.662 -13.404 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.053 -12.979 1.188 1.00 0.00 H new ATOM 1331 N CYS A 84 1.133 -12.945 3.206 1.00 0.00 N ATOM 1332 CA CYS A 84 0.913 -13.178 4.657 1.00 0.00 C ATOM 1333 C CYS A 84 -0.564 -13.495 4.876 1.00 0.00 C ATOM 1334 O CYS A 84 -0.923 -14.331 5.680 1.00 0.00 O ATOM 1335 CB CYS A 84 1.284 -11.919 5.442 1.00 0.00 C ATOM 1336 SG CYS A 84 0.828 -12.133 7.179 1.00 0.00 S ATOM 0 H CYS A 84 1.590 -12.064 2.971 1.00 0.00 H new ATOM 0 HA CYS A 84 1.532 -14.007 5.000 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.354 -11.727 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.770 -11.053 5.024 1.00 0.00 H new ATOM 0 HG CYS A 84 1.146 -11.063 7.846 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.421 -12.834 4.148 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.878 -13.091 4.286 1.00 0.00 C ATOM 1344 C HIS A 85 -3.199 -14.431 3.633 1.00 0.00 C ATOM 1345 O HIS A 85 -4.125 -15.119 4.015 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.656 -11.982 3.580 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.132 -12.213 3.747 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.708 -12.444 4.987 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.164 -12.244 2.843 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.031 -12.600 4.795 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.363 -12.489 3.505 1.00 0.00 N ATOM 0 H HIS A 85 -1.171 -12.123 3.460 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.157 -13.113 5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.381 -11.012 3.993 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.399 -11.962 2.521 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.219 -12.488 5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.061 -12.100 1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.739 -12.792 5.588 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.432 -14.805 2.646 1.00 0.00 N ATOM 1360 CA GLU A 86 -2.677 -16.100 1.957 1.00 0.00 C ATOM 1361 C GLU A 86 -2.201 -17.252 2.847 1.00 0.00 C ATOM 1362 O GLU A 86 -2.917 -18.204 3.075 1.00 0.00 O ATOM 1363 CB GLU A 86 -1.920 -16.112 0.626 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.241 -17.391 -0.146 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.742 -17.250 -1.587 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -0.673 -16.688 -1.769 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -2.437 -17.701 -2.482 1.00 0.00 O ATOM 0 H GLU A 86 -1.644 -14.266 2.287 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.743 -16.222 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.197 -15.240 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.847 -16.047 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.767 -18.248 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.315 -17.575 -0.137 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.004 -17.170 3.361 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.500 -18.266 4.244 1.00 0.00 C ATOM 1376 C PHE A 87 -1.512 -18.504 5.371 1.00 0.00 C ATOM 1377 O PHE A 87 -1.949 -19.615 5.600 1.00 0.00 O ATOM 1378 CB PHE A 87 0.859 -17.872 4.843 1.00 0.00 C ATOM 1379 CG PHE A 87 1.959 -18.112 3.827 1.00 0.00 C ATOM 1380 CD1 PHE A 87 2.325 -19.421 3.493 1.00 0.00 C ATOM 1381 CD2 PHE A 87 2.610 -17.029 3.223 1.00 0.00 C ATOM 1382 CE1 PHE A 87 3.341 -19.648 2.557 1.00 0.00 C ATOM 1383 CE2 PHE A 87 3.627 -17.256 2.287 1.00 0.00 C ATOM 1384 CZ PHE A 87 3.992 -18.566 1.954 1.00 0.00 C ATOM 0 H PHE A 87 -0.355 -16.398 3.210 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.377 -19.178 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.846 -16.823 5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.051 -18.454 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.823 -20.257 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.328 -16.018 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.622 -20.659 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.130 -16.421 1.822 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.776 -18.741 1.232 1.00 0.00 H new ATOM 1394 N PHE A 88 -1.895 -17.471 6.076 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.884 -17.653 7.179 1.00 0.00 C ATOM 1396 C PHE A 88 -4.200 -18.170 6.596 1.00 0.00 C ATOM 1397 O PHE A 88 -4.633 -19.265 6.890 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.135 -16.315 7.883 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.862 -16.562 9.187 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.181 -17.136 10.267 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.216 -16.221 9.316 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.851 -17.371 11.474 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.884 -16.454 10.524 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.202 -17.029 11.602 1.00 0.00 C ATOM 0 H PHE A 88 -1.568 -16.515 5.937 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.490 -18.369 7.900 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.189 -15.808 8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.726 -15.660 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.138 -17.398 10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.743 -15.779 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.325 -17.816 12.306 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.926 -16.190 10.624 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.718 -17.209 12.533 1.00 0.00 H new ATOM 1494 N GLU B 2 7.861 -1.528 12.410 1.00 0.00 N ATOM 1495 CA GLU B 2 6.742 -0.605 12.071 1.00 0.00 C ATOM 1496 C GLU B 2 6.013 -1.121 10.823 1.00 0.00 C ATOM 1497 O GLU B 2 4.830 -0.898 10.639 1.00 0.00 O ATOM 1498 CB GLU B 2 7.305 0.791 11.797 1.00 0.00 C ATOM 1499 CG GLU B 2 7.837 1.392 13.100 1.00 0.00 C ATOM 1500 CD GLU B 2 8.740 2.589 12.787 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.439 3.305 11.846 1.00 0.00 O ATOM 1502 OE2 GLU B 2 9.719 2.766 13.493 1.00 0.00 O ATOM 0 HA GLU B 2 6.040 -0.558 12.904 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.104 0.734 11.058 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.529 1.432 11.379 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.007 1.706 13.732 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.395 0.640 13.657 1.00 0.00 H new ATOM 1509 N LEU B 3 6.716 -1.803 9.959 1.00 0.00 N ATOM 1510 CA LEU B 3 6.076 -2.323 8.715 1.00 0.00 C ATOM 1511 C LEU B 3 5.156 -3.512 9.046 1.00 0.00 C ATOM 1512 O LEU B 3 4.219 -3.781 8.332 1.00 0.00 O ATOM 1513 CB LEU B 3 7.183 -2.751 7.710 1.00 0.00 C ATOM 1514 CG LEU B 3 7.273 -1.744 6.540 1.00 0.00 C ATOM 1515 CD1 LEU B 3 8.606 -1.905 5.791 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.105 -1.974 5.560 1.00 0.00 C ATOM 0 H LEU B 3 7.707 -2.023 10.061 1.00 0.00 H new ATOM 0 HA LEU B 3 5.467 -1.539 8.264 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.144 -2.809 8.222 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.966 -3.747 7.324 1.00 0.00 H new ATOM 0 HG LEU B 3 7.216 -0.735 6.948 1.00 0.00 H new ATOM 0 HD11 LEU B 3 8.652 -1.188 4.971 1.00 0.00 H new ATOM 0 HD12 LEU B 3 9.433 -1.724 6.477 1.00 0.00 H new ATOM 0 HD13 LEU B 3 8.680 -2.917 5.393 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.174 -1.261 4.738 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.155 -2.989 5.166 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.159 -1.834 6.083 1.00 0.00 H new ATOM 1528 N GLU B 4 5.404 -4.223 10.114 1.00 0.00 N ATOM 1529 CA GLU B 4 4.522 -5.381 10.446 1.00 0.00 C ATOM 1530 C GLU B 4 3.202 -4.872 11.018 1.00 0.00 C ATOM 1531 O GLU B 4 2.164 -5.476 10.840 1.00 0.00 O ATOM 1532 CB GLU B 4 5.203 -6.282 11.478 1.00 0.00 C ATOM 1533 CG GLU B 4 6.309 -7.090 10.799 1.00 0.00 C ATOM 1534 CD GLU B 4 7.194 -7.740 11.866 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.774 -7.783 13.010 1.00 0.00 O ATOM 1536 OE2 GLU B 4 8.275 -8.187 11.519 1.00 0.00 O ATOM 0 H GLU B 4 6.171 -4.055 10.765 1.00 0.00 H new ATOM 0 HA GLU B 4 4.334 -5.953 9.537 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.621 -5.679 12.284 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.472 -6.953 11.929 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.873 -7.855 10.157 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.908 -6.441 10.160 1.00 0.00 H new ATOM 1543 N LYS B 5 3.229 -3.763 11.699 1.00 0.00 N ATOM 1544 CA LYS B 5 1.971 -3.218 12.272 1.00 0.00 C ATOM 1545 C LYS B 5 1.035 -2.857 11.121 1.00 0.00 C ATOM 1546 O LYS B 5 -0.147 -3.128 11.152 1.00 0.00 O ATOM 1547 CB LYS B 5 2.304 -1.962 13.110 1.00 0.00 C ATOM 1548 CG LYS B 5 2.543 -2.358 14.581 1.00 0.00 C ATOM 1549 CD LYS B 5 3.465 -1.330 15.287 1.00 0.00 C ATOM 1550 CE LYS B 5 4.932 -1.795 15.234 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.205 -2.692 16.395 1.00 0.00 N ATOM 0 H LYS B 5 4.067 -3.211 11.883 1.00 0.00 H new ATOM 0 HA LYS B 5 1.487 -3.953 12.916 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.190 -1.471 12.708 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.486 -1.245 13.046 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.589 -2.418 15.105 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.994 -3.349 14.626 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.369 -0.356 14.807 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.154 -1.206 16.324 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.126 -2.321 14.299 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.600 -0.934 15.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.195 -3.009 16.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.035 -2.175 17.281 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.575 -3.519 16.351 1.00 0.00 H new ATOM 1565 N ALA B 6 1.566 -2.248 10.104 1.00 0.00 N ATOM 1566 CA ALA B 6 0.718 -1.866 8.944 1.00 0.00 C ATOM 1567 C ALA B 6 0.148 -3.113 8.281 1.00 0.00 C ATOM 1568 O ALA B 6 -1.041 -3.217 8.050 1.00 0.00 O ATOM 1569 CB ALA B 6 1.559 -1.085 7.932 1.00 0.00 C ATOM 0 H ALA B 6 2.551 -1.997 10.024 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.105 -1.242 9.293 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.937 -0.805 7.082 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.954 -0.186 8.404 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.385 -1.707 7.588 1.00 0.00 H new ATOM 1575 N MET B 7 0.979 -4.057 7.969 1.00 0.00 N ATOM 1576 CA MET B 7 0.470 -5.287 7.319 1.00 0.00 C ATOM 1577 C MET B 7 -0.660 -5.868 8.156 1.00 0.00 C ATOM 1578 O MET B 7 -1.665 -6.308 7.643 1.00 0.00 O ATOM 1579 CB MET B 7 1.582 -6.331 7.221 1.00 0.00 C ATOM 1580 CG MET B 7 2.727 -5.792 6.372 1.00 0.00 C ATOM 1581 SD MET B 7 4.165 -6.874 6.571 1.00 0.00 S ATOM 1582 CE MET B 7 5.414 -5.806 5.809 1.00 0.00 C ATOM 0 H MET B 7 1.985 -4.032 8.135 1.00 0.00 H new ATOM 0 HA MET B 7 0.115 -5.034 6.320 1.00 0.00 H new ATOM 0 HB2 MET B 7 1.944 -6.583 8.218 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.193 -7.249 6.781 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.431 -5.748 5.324 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.975 -4.775 6.676 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.702 -6.217 4.841 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.002 -4.806 5.671 1.00 0.00 H new ATOM 0 HE3 MET B 7 6.290 -5.752 6.456 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.500 -5.888 9.445 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.570 -6.468 10.305 1.00 0.00 C ATOM 1594 C VAL B 8 -2.774 -5.529 10.336 1.00 0.00 C ATOM 1595 O VAL B 8 -3.901 -5.940 10.142 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.025 -6.667 11.722 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.164 -7.052 12.670 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.020 -7.783 11.703 1.00 0.00 C ATOM 0 H VAL B 8 0.317 -5.532 9.941 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.884 -7.430 9.899 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.571 -5.739 12.069 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.768 -7.192 13.676 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.912 -6.259 12.681 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.624 -7.980 12.329 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.413 -7.931 12.709 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.441 -8.707 11.354 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.834 -7.508 11.032 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.544 -4.276 10.582 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.679 -3.315 10.630 1.00 0.00 C ATOM 1610 C ALA B 9 -4.413 -3.336 9.281 1.00 0.00 C ATOM 1611 O ALA B 9 -5.603 -3.101 9.207 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.142 -1.903 10.942 1.00 0.00 C ATOM 0 H ALA B 9 -1.623 -3.873 10.752 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.380 -3.598 11.415 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.972 -1.198 10.978 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.632 -1.912 11.905 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.442 -1.600 10.164 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.710 -3.613 8.213 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.369 -3.643 6.875 1.00 0.00 C ATOM 1620 C LEU B 10 -5.095 -4.982 6.672 1.00 0.00 C ATOM 1621 O LEU B 10 -6.254 -5.014 6.343 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.295 -3.445 5.787 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.104 -1.936 5.502 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.675 -1.674 5.012 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -4.100 -1.487 4.423 1.00 0.00 C ATOM 0 H LEU B 10 -2.711 -3.819 8.210 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.106 -2.843 6.810 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.352 -3.885 6.111 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.591 -3.962 4.874 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.279 -1.375 6.420 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.548 -0.610 4.813 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.965 -1.988 5.777 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.495 -2.238 4.097 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.965 -0.424 4.223 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.925 -2.054 3.508 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.118 -1.664 4.771 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.415 -6.081 6.859 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.057 -7.419 6.659 1.00 0.00 C ATOM 1639 C ILE B 11 -6.431 -7.433 7.332 1.00 0.00 C ATOM 1640 O ILE B 11 -7.342 -8.108 6.894 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.162 -8.513 7.271 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.969 -8.751 6.340 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.951 -9.823 7.426 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.946 -9.663 7.022 1.00 0.00 C ATOM 0 H ILE B 11 -3.436 -6.113 7.144 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.180 -7.610 5.593 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.819 -8.190 8.254 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.309 -9.204 5.409 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.504 -7.800 6.080 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.306 -10.587 7.860 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.807 -9.657 8.080 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.300 -10.155 6.448 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.101 -9.827 6.353 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.595 -9.193 7.941 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.412 -10.619 7.259 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.586 -6.700 8.393 1.00 0.00 N ATOM 1657 CA ASP B 12 -7.903 -6.682 9.088 1.00 0.00 C ATOM 1658 C ASP B 12 -8.894 -5.834 8.292 1.00 0.00 C ATOM 1659 O ASP B 12 -10.003 -6.251 8.021 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.731 -6.104 10.493 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.002 -7.120 11.376 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.897 -8.265 10.967 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.562 -6.736 12.446 1.00 0.00 O ATOM 0 H ASP B 12 -5.863 -6.114 8.810 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.288 -7.699 9.164 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.166 -5.173 10.448 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.704 -5.866 10.922 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.508 -4.651 7.908 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.431 -3.784 7.124 1.00 0.00 C ATOM 1670 C VAL B 13 -9.426 -4.242 5.662 1.00 0.00 C ATOM 1671 O VAL B 13 -10.381 -4.056 4.935 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.982 -2.318 7.221 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.099 -1.403 6.721 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.667 -1.970 8.679 1.00 0.00 C ATOM 0 H VAL B 13 -7.592 -4.246 8.103 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.441 -3.865 7.526 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.091 -2.178 6.609 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.777 -0.364 6.791 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.328 -1.642 5.683 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.990 -1.549 7.332 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.349 -0.930 8.744 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.559 -2.116 9.289 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.869 -2.617 9.043 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.353 -4.842 5.232 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.282 -5.313 3.817 1.00 0.00 C ATOM 1686 C PHE B 14 -9.221 -6.514 3.636 1.00 0.00 C ATOM 1687 O PHE B 14 -10.068 -6.524 2.766 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.830 -5.704 3.485 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.788 -6.669 2.317 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.321 -6.292 1.082 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.217 -7.939 2.475 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.284 -7.183 0.004 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.181 -8.827 1.400 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.715 -8.452 0.164 1.00 0.00 C ATOM 0 H PHE B 14 -7.523 -5.028 5.795 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.595 -4.518 3.140 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.253 -4.811 3.246 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.363 -6.161 4.357 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.761 -5.313 0.959 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.805 -8.230 3.430 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.694 -6.892 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.740 -9.805 1.523 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.689 -9.141 -0.667 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.061 -7.531 4.435 1.00 0.00 N ATOM 1705 CA HIS B 15 -9.924 -8.738 4.289 1.00 0.00 C ATOM 1706 C HIS B 15 -11.363 -8.434 4.730 1.00 0.00 C ATOM 1707 O HIS B 15 -12.303 -9.003 4.213 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.349 -9.868 5.147 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.937 -11.188 4.723 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.359 -12.138 5.643 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.183 -11.731 3.485 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.834 -13.190 4.949 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.748 -12.992 3.632 1.00 0.00 N ATOM 0 H HIS B 15 -8.370 -7.580 5.184 1.00 0.00 H new ATOM 0 HA HIS B 15 -9.943 -9.037 3.241 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.264 -9.895 5.047 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.568 -9.684 6.199 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -10.317 -12.055 6.659 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.970 -11.251 2.541 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -11.235 -14.084 5.403 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.551 -7.557 5.679 1.00 0.00 N ATOM 1722 CA GLN B 16 -12.939 -7.246 6.137 1.00 0.00 C ATOM 1723 C GLN B 16 -13.706 -6.519 5.028 1.00 0.00 C ATOM 1724 O GLN B 16 -14.887 -6.732 4.829 1.00 0.00 O ATOM 1725 CB GLN B 16 -12.879 -6.352 7.379 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.456 -7.182 8.601 1.00 0.00 C ATOM 1727 CD GLN B 16 -13.666 -7.941 9.160 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.776 -7.763 8.697 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.494 -8.783 10.144 1.00 0.00 N ATOM 0 H GLN B 16 -10.809 -7.044 6.156 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.451 -8.178 6.377 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.171 -5.539 7.218 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.853 -5.897 7.557 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.672 -7.886 8.320 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.039 -6.530 9.368 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.562 -8.931 10.531 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.292 -9.292 10.525 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.042 -5.667 4.293 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.731 -4.927 3.191 1.00 0.00 C ATOM 1740 C TYR B 17 -13.542 -5.686 1.882 1.00 0.00 C ATOM 1741 O TYR B 17 -14.501 -6.066 1.241 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.157 -3.510 3.088 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.777 -2.654 4.174 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.309 -2.748 5.489 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.833 -1.786 3.866 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.895 -1.976 6.500 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.418 -1.011 4.877 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.949 -1.107 6.194 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.526 -0.348 7.192 1.00 0.00 O ATOM 0 H TYR B 17 -12.052 -5.450 4.407 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.798 -4.852 3.401 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.073 -3.533 3.198 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.369 -3.087 2.106 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.495 -3.417 5.725 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.196 -1.714 2.851 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.534 -2.051 7.515 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.230 -0.340 4.641 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.857 -0.150 7.881 1.00 0.00 H new ATOM 1759 N SER B 18 -12.330 -5.940 1.480 1.00 0.00 N ATOM 1760 CA SER B 18 -12.136 -6.704 0.218 1.00 0.00 C ATOM 1761 C SER B 18 -12.947 -8.000 0.310 1.00 0.00 C ATOM 1762 O SER B 18 -13.301 -8.603 -0.685 1.00 0.00 O ATOM 1763 CB SER B 18 -10.656 -7.047 0.041 1.00 0.00 C ATOM 1764 OG SER B 18 -9.881 -5.863 0.173 1.00 0.00 O ATOM 0 H SER B 18 -11.477 -5.657 1.962 1.00 0.00 H new ATOM 0 HA SER B 18 -12.466 -6.107 -0.632 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.349 -7.781 0.786 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.490 -7.497 -0.938 1.00 0.00 H new ATOM 0 HG SER B 18 -8.963 -6.038 -0.123 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.232 -8.434 1.516 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.011 -9.698 1.719 1.00 0.00 C ATOM 1772 C GLY B 19 -15.480 -9.388 2.040 1.00 0.00 C ATOM 1773 O GLY B 19 -16.290 -10.284 2.167 1.00 0.00 O ATOM 0 H GLY B 19 -12.955 -7.961 2.376 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.952 -10.315 0.822 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.571 -10.275 2.532 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.844 -8.139 2.164 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.274 -7.811 2.461 1.00 0.00 C ATOM 1779 C ARG B 20 -18.152 -8.465 1.397 1.00 0.00 C ATOM 1780 O ARG B 20 -19.235 -8.943 1.672 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.457 -6.285 2.424 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.921 -5.879 2.683 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.141 -4.443 2.196 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.529 -4.012 2.526 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.821 -3.626 3.738 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.888 -3.585 4.654 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.043 -3.273 4.034 1.00 0.00 N ATOM 0 H ARG B 20 -15.221 -7.336 2.074 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.554 -8.181 3.447 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.814 -5.823 3.173 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.140 -5.904 1.453 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.596 -6.559 2.164 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.149 -5.954 3.746 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.420 -3.774 2.666 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -18.977 -4.384 1.120 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.250 -4.019 1.805 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.932 -3.855 4.421 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.116 -3.283 5.601 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.769 -3.299 3.318 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.271 -2.971 4.981 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.691 -8.484 0.182 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.499 -9.102 -0.905 1.00 0.00 C ATOM 1803 C GLU B 21 -17.659 -9.203 -2.176 1.00 0.00 C ATOM 1804 O GLU B 21 -16.552 -8.707 -2.245 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.732 -8.239 -1.160 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.318 -6.770 -1.169 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.501 -5.908 -1.611 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.583 -6.452 -1.757 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.305 -4.718 -1.798 1.00 0.00 O ATOM 0 H GLU B 21 -16.792 -8.100 -0.108 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.811 -10.104 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.189 -8.507 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.480 -8.414 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.986 -6.469 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.475 -6.623 -1.844 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.178 -9.856 -3.182 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.423 -10.014 -4.462 1.00 0.00 C ATOM 1818 C GLY B 22 -16.856 -11.424 -4.525 1.00 0.00 C ATOM 1819 O GLY B 22 -17.074 -12.231 -3.642 1.00 0.00 O ATOM 0 H GLY B 22 -19.101 -10.291 -3.172 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.080 -9.833 -5.313 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.619 -9.281 -4.519 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.119 -11.731 -5.548 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.530 -13.090 -5.638 1.00 0.00 C ATOM 1825 C ASP B 23 -14.801 -13.392 -4.330 1.00 0.00 C ATOM 1826 O ASP B 23 -15.112 -14.343 -3.646 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.545 -13.144 -6.803 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.108 -14.590 -7.029 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -13.976 -15.309 -6.051 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.916 -14.957 -8.176 1.00 0.00 O ATOM 0 H ASP B 23 -15.899 -11.105 -6.322 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.314 -13.828 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -15.010 -12.747 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.678 -12.519 -6.590 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.842 -12.574 -3.974 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.089 -12.789 -2.701 1.00 0.00 C ATOM 1837 C LYS B 24 -11.861 -11.865 -2.688 1.00 0.00 C ATOM 1838 O LYS B 24 -11.229 -11.636 -3.700 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.639 -14.275 -2.588 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.437 -15.023 -1.494 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.768 -14.817 -0.123 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.788 -15.056 0.996 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.090 -15.084 2.312 1.00 0.00 N ATOM 0 H LYS B 24 -13.547 -11.761 -4.515 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.733 -12.558 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -12.778 -14.773 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.574 -14.318 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.463 -14.657 -1.466 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.484 -16.086 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.927 -15.501 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.368 -13.806 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -14.541 -14.268 0.989 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -14.311 -15.998 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.792 -15.042 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -12.540 -15.963 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -12.450 -14.267 2.383 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.514 -11.362 -1.537 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.318 -10.480 -1.415 1.00 0.00 C ATOM 1859 C HIS B 25 -10.221 -9.486 -2.577 1.00 0.00 C ATOM 1860 O HIS B 25 -9.159 -9.309 -3.140 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.046 -11.347 -1.384 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.329 -12.664 -0.717 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.668 -12.763 0.626 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -9.304 -13.951 -1.193 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -9.827 -14.071 0.906 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -9.617 -14.832 -0.167 1.00 0.00 N ATOM 0 H HIS B 25 -12.014 -11.526 -0.663 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.416 -9.910 -0.491 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.688 -11.515 -2.400 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.254 -10.823 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.076 -14.235 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.092 -14.455 1.880 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -9.674 -15.849 -0.223 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.284 -8.812 -2.932 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.206 -7.814 -4.041 1.00 0.00 C ATOM 1876 C LYS B 26 -12.022 -6.595 -3.620 1.00 0.00 C ATOM 1877 O LYS B 26 -12.976 -6.703 -2.878 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.765 -8.425 -5.329 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.677 -9.282 -5.990 1.00 0.00 C ATOM 1880 CD LYS B 26 -11.258 -10.047 -7.183 1.00 0.00 C ATOM 1881 CE LYS B 26 -11.919 -9.069 -8.159 1.00 0.00 C ATOM 1882 NZ LYS B 26 -11.991 -9.695 -9.508 1.00 0.00 N ATOM 0 H LYS B 26 -12.204 -8.909 -2.502 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.173 -7.523 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.641 -9.035 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.089 -7.637 -6.009 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.855 -8.647 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.266 -9.984 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.468 -10.602 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.989 -10.778 -6.836 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.919 -8.810 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.348 -8.142 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -12.439 -9.034 -10.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.031 -9.921 -9.838 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -12.553 -10.568 -9.456 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.620 -5.427 -4.039 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.328 -4.178 -3.610 1.00 0.00 C ATOM 1898 C LEU B 27 -13.333 -3.684 -4.670 1.00 0.00 C ATOM 1899 O LEU B 27 -12.989 -3.397 -5.800 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.241 -3.100 -3.350 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.537 -2.228 -2.105 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -12.780 -1.360 -2.323 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.678 -3.099 -0.838 1.00 0.00 C ATOM 0 H LEU B 27 -10.827 -5.279 -4.664 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.909 -4.380 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.275 -3.589 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.159 -2.456 -4.226 1.00 0.00 H new ATOM 0 HG LEU B 27 -10.689 -1.560 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.964 -0.758 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.620 -0.703 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.642 -2.000 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -11.886 -2.461 0.021 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.497 -3.806 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -10.751 -3.646 -0.668 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.571 -3.517 -4.255 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.632 -2.967 -5.156 1.00 0.00 C ATOM 1917 C LYS B 28 -15.991 -1.558 -4.660 1.00 0.00 C ATOM 1918 O LYS B 28 -15.740 -1.215 -3.523 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.883 -3.859 -5.115 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.475 -5.323 -4.935 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.609 -6.246 -5.400 1.00 0.00 C ATOM 1922 CE LYS B 28 -18.956 -5.813 -4.801 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.566 -4.756 -5.655 1.00 0.00 N ATOM 0 H LYS B 28 -14.892 -3.744 -3.314 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.267 -2.934 -6.182 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.533 -3.551 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.454 -3.742 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.570 -5.529 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.243 -5.518 -3.888 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.670 -6.232 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -17.390 -7.273 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.626 -6.670 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.811 -5.438 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.467 -3.832 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.083 -4.732 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -20.575 -4.965 -5.798 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.575 -0.742 -5.491 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.940 0.636 -5.040 1.00 0.00 C ATOM 1939 C LYS B 29 -17.727 0.560 -3.724 1.00 0.00 C ATOM 1940 O LYS B 29 -17.527 1.355 -2.827 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.797 1.316 -6.112 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.926 1.644 -7.332 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.699 2.555 -8.290 1.00 0.00 C ATOM 1944 CE LYS B 29 -18.958 1.840 -8.789 1.00 0.00 C ATOM 1945 NZ LYS B 29 -19.413 2.469 -10.063 1.00 0.00 N ATOM 0 H LYS B 29 -16.816 -0.964 -6.457 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.030 1.215 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.619 0.663 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.241 2.228 -5.713 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.006 2.134 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.638 0.725 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.973 3.481 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.067 2.829 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.750 0.782 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.746 1.901 -8.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.451 2.428 -10.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.104 3.462 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.002 1.957 -10.869 1.00 0.00 H new ATOM 1959 N SER B 30 -18.623 -0.385 -3.606 1.00 0.00 N ATOM 1960 CA SER B 30 -19.423 -0.507 -2.350 1.00 0.00 C ATOM 1961 C SER B 30 -18.483 -0.625 -1.152 1.00 0.00 C ATOM 1962 O SER B 30 -18.867 -0.386 -0.029 1.00 0.00 O ATOM 1963 CB SER B 30 -20.295 -1.763 -2.417 1.00 0.00 C ATOM 1964 OG SER B 30 -21.364 -1.547 -3.329 1.00 0.00 O ATOM 0 H SER B 30 -18.836 -1.077 -4.324 1.00 0.00 H new ATOM 0 HA SER B 30 -20.052 0.377 -2.242 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.698 -2.617 -2.735 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.688 -2.000 -1.428 1.00 0.00 H new ATOM 0 HG SER B 30 -21.923 -2.351 -3.375 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.246 -0.966 -1.396 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.259 -1.077 -0.290 1.00 0.00 C ATOM 1972 C GLU B 31 -15.376 0.162 -0.310 1.00 0.00 C ATOM 1973 O GLU B 31 -14.978 0.659 0.714 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.447 -2.356 -0.478 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.326 -3.565 -0.145 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.695 -4.836 -0.717 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.528 -4.786 -1.070 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.386 -5.836 -0.792 1.00 0.00 O ATOM 0 H GLU B 31 -16.877 -1.174 -2.324 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.753 -1.133 0.680 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.087 -2.425 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.569 -2.341 0.167 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.439 -3.658 0.935 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.325 -3.425 -0.559 1.00 0.00 H new ATOM 1985 N LEU B 32 -15.084 0.677 -1.469 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.232 1.899 -1.541 1.00 0.00 C ATOM 1987 C LEU B 32 -15.010 3.092 -0.979 1.00 0.00 C ATOM 1988 O LEU B 32 -14.523 3.821 -0.137 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.823 2.149 -3.014 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.361 2.624 -3.101 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.933 2.739 -4.575 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.224 3.985 -2.410 1.00 0.00 C ATOM 0 H LEU B 32 -15.396 0.308 -2.368 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.328 1.765 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.948 1.233 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.480 2.897 -3.457 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.717 1.900 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.898 3.076 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.023 1.766 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.575 3.457 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.189 4.322 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.871 4.710 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.514 3.892 -1.363 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.213 3.289 -1.427 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.021 4.413 -0.912 1.00 0.00 C ATOM 2006 C LYS B 33 -17.402 4.103 0.541 1.00 0.00 C ATOM 2007 O LYS B 33 -17.461 4.978 1.381 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.267 4.511 -1.794 1.00 0.00 C ATOM 2009 CG LYS B 33 -19.189 5.678 -1.356 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.664 5.261 -1.530 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.143 4.498 -0.287 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.597 4.193 -0.417 1.00 0.00 N ATOM 0 H LYS B 33 -16.672 2.713 -2.133 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.479 5.358 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.968 4.654 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.820 3.573 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.994 5.939 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.978 6.566 -1.952 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -21.284 6.144 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.772 4.635 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.576 3.574 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -20.965 5.093 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -22.920 3.676 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -23.131 5.081 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.755 3.609 -1.263 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.678 2.859 0.835 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.074 2.504 2.235 1.00 0.00 C ATOM 2028 C GLU B 34 -16.839 2.470 3.130 1.00 0.00 C ATOM 2029 O GLU B 34 -16.903 2.781 4.302 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.759 1.136 2.268 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.268 0.844 3.685 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.913 -0.542 3.719 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -19.373 -1.439 3.093 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.933 -0.685 4.372 1.00 0.00 O ATOM 0 H GLU B 34 -17.648 2.080 0.177 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.771 3.259 2.598 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.590 1.118 1.562 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.059 0.361 1.956 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.443 0.891 4.396 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.992 1.601 3.986 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.715 2.100 2.597 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.490 2.058 3.436 1.00 0.00 C ATOM 2043 C LEU B 35 -14.031 3.490 3.700 1.00 0.00 C ATOM 2044 O LEU B 35 -13.510 3.806 4.749 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.389 1.283 2.702 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.088 1.318 3.510 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.316 0.743 4.913 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -11.039 0.481 2.784 1.00 0.00 C ATOM 0 H LEU B 35 -15.590 1.826 1.623 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.701 1.558 4.381 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.702 0.250 2.548 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.225 1.717 1.716 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.750 2.350 3.606 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.383 0.774 5.475 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.071 1.335 5.430 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.656 -0.289 4.832 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.107 0.497 3.348 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.392 -0.547 2.694 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.868 0.894 1.790 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.228 4.360 2.750 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.809 5.777 2.934 1.00 0.00 C ATOM 2062 C ILE B 36 -14.720 6.435 3.973 1.00 0.00 C ATOM 2063 O ILE B 36 -14.288 7.231 4.783 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.918 6.509 1.584 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.733 6.108 0.700 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.910 8.033 1.791 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -12.977 6.584 -0.734 1.00 0.00 C ATOM 0 H ILE B 36 -14.662 4.150 1.851 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.778 5.827 3.284 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.856 6.229 1.104 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.813 6.546 1.087 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.603 5.026 0.717 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.988 8.532 0.825 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.755 8.320 2.417 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.981 8.329 2.278 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.133 6.298 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.887 6.125 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.085 7.669 -0.744 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.979 6.107 3.949 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.930 6.710 4.922 1.00 0.00 C ATOM 2081 C ASN B 37 -16.787 6.023 6.290 1.00 0.00 C ATOM 2082 O ASN B 37 -17.175 6.560 7.310 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.359 6.538 4.405 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.423 6.975 2.939 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -17.547 7.671 2.463 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.429 6.597 2.199 1.00 0.00 N ATOM 0 H ASN B 37 -16.393 5.444 3.294 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.707 7.771 5.034 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.670 5.498 4.500 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -19.049 7.133 5.004 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -19.480 6.885 1.222 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.164 6.013 2.598 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.276 4.819 6.317 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.153 4.084 7.619 1.00 0.00 C ATOM 2095 C ASN B 38 -14.789 4.315 8.282 1.00 0.00 C ATOM 2096 O ASN B 38 -14.716 4.516 9.479 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.342 2.584 7.376 1.00 0.00 C ATOM 2098 CG ASN B 38 -16.554 1.866 8.710 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -15.990 2.247 9.716 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -17.345 0.830 8.759 1.00 0.00 N ATOM 0 H ASN B 38 -15.939 4.312 5.499 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.923 4.466 8.289 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -17.198 2.417 6.723 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.469 2.176 6.867 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -17.490 0.340 9.642 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -17.819 0.510 7.914 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.707 4.271 7.540 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.351 4.470 8.165 1.00 0.00 C ATOM 2109 C GLU B 39 -11.740 5.796 7.719 1.00 0.00 C ATOM 2110 O GLU B 39 -11.459 6.658 8.527 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.427 3.327 7.739 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.003 1.999 8.230 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.850 1.909 9.750 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -10.725 1.791 10.208 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -12.862 1.963 10.430 1.00 0.00 O ATOM 0 H GLU B 39 -13.700 4.107 6.533 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.465 4.481 9.249 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.325 3.313 6.654 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.429 3.478 8.151 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.055 1.922 7.954 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.486 1.167 7.752 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.510 5.969 6.449 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.892 7.242 5.985 1.00 0.00 C ATOM 2124 C LEU B 40 -11.920 8.375 6.028 1.00 0.00 C ATOM 2125 O LEU B 40 -11.858 9.311 5.259 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.329 7.069 4.563 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.789 5.636 4.369 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.163 5.517 2.971 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.729 5.302 5.451 1.00 0.00 C ATOM 0 H LEU B 40 -11.721 5.291 5.717 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.069 7.501 6.652 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.109 7.273 3.829 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.531 7.792 4.390 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.613 4.929 4.465 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -8.780 4.507 2.829 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.919 5.728 2.215 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.345 6.232 2.876 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.360 4.288 5.298 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.899 6.005 5.377 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.182 5.378 6.440 1.00 0.00 H new ATOM 2141 N SER B 41 -12.854 8.323 6.943 1.00 0.00 N ATOM 2142 CA SER B 41 -13.849 9.427 7.043 1.00 0.00 C ATOM 2143 C SER B 41 -13.259 10.540 7.908 1.00 0.00 C ATOM 2144 O SER B 41 -13.696 11.673 7.862 1.00 0.00 O ATOM 2145 CB SER B 41 -15.128 8.909 7.692 1.00 0.00 C ATOM 2146 OG SER B 41 -15.974 10.008 7.997 1.00 0.00 O ATOM 0 H SER B 41 -12.969 7.569 7.620 1.00 0.00 H new ATOM 0 HA SER B 41 -14.081 9.806 6.048 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.637 8.218 7.020 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.891 8.354 8.600 1.00 0.00 H new ATOM 0 HG SER B 41 -16.799 9.680 8.413 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.261 10.228 8.697 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.634 11.266 9.566 1.00 0.00 C ATOM 2154 C HIS B 42 -10.472 11.921 8.819 1.00 0.00 C ATOM 2155 O HIS B 42 -10.065 13.021 9.137 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.107 10.610 10.841 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.260 10.194 11.709 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -13.440 9.688 11.181 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -12.430 10.193 13.073 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -14.259 9.408 12.210 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -13.691 9.698 13.381 1.00 0.00 N ATOM 0 H HIS B 42 -11.854 9.296 8.776 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.377 12.022 9.822 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.497 9.743 10.590 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.465 11.306 11.381 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.697 10.525 13.793 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -15.253 8.999 12.102 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.097 9.581 14.309 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.939 11.256 7.824 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.802 11.835 7.042 1.00 0.00 C ATOM 2172 C PHE B 43 -9.308 12.224 5.650 1.00 0.00 C ATOM 2173 O PHE B 43 -8.849 13.185 5.062 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.687 10.782 6.918 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.881 10.748 8.202 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.488 10.340 9.394 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.533 11.133 8.200 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -6.749 10.314 10.585 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.795 11.108 9.390 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.404 10.699 10.582 1.00 0.00 C ATOM 0 H PHE B 43 -10.244 10.332 7.518 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.407 12.717 7.546 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.119 9.801 6.721 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.039 11.020 6.075 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.527 10.045 9.397 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.063 11.449 7.280 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.218 9.997 11.505 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.756 11.404 9.388 1.00 0.00 H new ATOM 0 HZ PHE B 43 -4.835 10.681 11.500 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.269 11.495 5.130 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.844 11.815 3.781 1.00 0.00 C ATOM 2192 C LEU B 44 -12.313 12.242 3.962 1.00 0.00 C ATOM 2193 O LEU B 44 -13.090 11.559 4.599 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.744 10.555 2.882 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.745 10.771 1.736 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.319 10.863 2.285 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -9.832 9.587 0.773 1.00 0.00 C ATOM 0 H LEU B 44 -10.684 10.683 5.587 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.294 12.628 3.307 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.434 9.700 3.482 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.726 10.318 2.473 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.988 11.700 1.220 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.621 11.016 1.462 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.250 11.700 2.980 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.069 9.938 2.805 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.126 9.731 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.589 8.667 1.305 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.843 9.518 0.372 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.697 13.364 3.414 1.00 0.00 N ATOM 2210 CA GLU B 45 -14.111 13.822 3.566 1.00 0.00 C ATOM 2211 C GLU B 45 -15.067 12.695 3.150 1.00 0.00 C ATOM 2212 O GLU B 45 -14.816 11.976 2.205 1.00 0.00 O ATOM 2213 CB GLU B 45 -14.349 15.052 2.680 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.714 14.834 1.300 1.00 0.00 C ATOM 2215 CD GLU B 45 -14.081 15.999 0.372 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -15.127 16.591 0.582 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -13.310 16.278 -0.531 1.00 0.00 O ATOM 0 H GLU B 45 -12.096 13.982 2.869 1.00 0.00 H new ATOM 0 HA GLU B 45 -14.296 14.084 4.608 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -15.419 15.232 2.573 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -13.922 15.938 3.150 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.631 14.760 1.395 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -14.062 13.893 0.873 1.00 0.00 H new ATOM 2224 N GLU B 46 -16.163 12.530 3.851 1.00 0.00 N ATOM 2225 CA GLU B 46 -17.123 11.445 3.482 1.00 0.00 C ATOM 2226 C GLU B 46 -17.680 11.711 2.082 1.00 0.00 C ATOM 2227 O GLU B 46 -18.532 12.558 1.895 1.00 0.00 O ATOM 2228 CB GLU B 46 -18.285 11.406 4.487 1.00 0.00 C ATOM 2229 CG GLU B 46 -19.181 10.202 4.174 1.00 0.00 C ATOM 2230 CD GLU B 46 -20.168 9.969 5.323 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -19.805 9.279 6.262 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -21.274 10.477 5.240 1.00 0.00 O ATOM 0 H GLU B 46 -16.432 13.095 4.656 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.600 10.489 3.498 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -17.900 11.333 5.504 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.862 12.329 4.430 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -19.725 10.375 3.246 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -18.569 9.313 4.023 1.00 0.00 H new ATOM 2239 N ILE B 47 -17.209 10.999 1.091 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.726 11.231 -0.285 1.00 0.00 C ATOM 2241 C ILE B 47 -19.201 10.832 -0.358 1.00 0.00 C ATOM 2242 O ILE B 47 -19.589 9.768 0.079 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.921 10.415 -1.314 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -17.267 8.915 -1.210 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.421 10.607 -1.077 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.286 8.080 -2.050 1.00 0.00 C ATOM 0 H ILE B 47 -16.496 10.275 1.176 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.621 12.290 -0.519 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.182 10.770 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.226 8.597 -0.168 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -18.287 8.746 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.860 10.026 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.169 11.662 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -15.165 10.269 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.543 7.024 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.348 8.387 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.271 8.236 -1.686 1.00 0.00 H new ATOM 2258 N LYS B 48 -20.021 11.678 -0.924 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.475 11.363 -1.061 1.00 0.00 C ATOM 2260 C LYS B 48 -21.746 11.000 -2.521 1.00 0.00 C ATOM 2261 O LYS B 48 -22.793 10.492 -2.866 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.296 12.593 -0.672 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.087 12.882 0.813 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.728 14.220 1.175 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.581 14.455 2.677 1.00 0.00 C ATOM 2266 NZ LYS B 48 -23.445 13.491 3.416 1.00 0.00 N ATOM 0 H LYS B 48 -19.743 12.584 -1.301 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.751 10.533 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.992 13.453 -1.269 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.353 12.420 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.525 12.084 1.413 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -21.022 12.905 1.042 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.251 15.028 0.620 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.782 14.220 0.896 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.540 14.330 2.976 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.863 15.478 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -24.092 14.013 4.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -23.997 12.929 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -22.849 12.858 3.986 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.792 11.275 -3.376 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.943 10.973 -4.835 1.00 0.00 C ATOM 2282 C GLU B 49 -19.787 10.079 -5.284 1.00 0.00 C ATOM 2283 O GLU B 49 -18.631 10.428 -5.155 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.910 12.279 -5.644 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.875 13.304 -5.039 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.637 14.666 -5.694 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.969 14.808 -6.860 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -21.122 15.543 -5.020 1.00 0.00 O ATOM 0 H GLU B 49 -19.901 11.702 -3.121 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.894 10.468 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.898 12.684 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -21.183 12.080 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.906 12.987 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.723 13.373 -3.962 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.090 8.930 -5.807 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.014 8.011 -6.260 1.00 0.00 C ATOM 2297 C GLN B 50 -18.157 8.696 -7.338 1.00 0.00 C ATOM 2298 O GLN B 50 -17.063 8.266 -7.640 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.651 6.747 -6.838 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.733 7.129 -7.852 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.382 5.856 -8.397 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.565 5.832 -8.672 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -20.651 4.787 -8.559 1.00 0.00 N ATOM 0 H GLN B 50 -21.040 8.585 -5.942 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.377 7.752 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -18.890 6.132 -7.319 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.085 6.149 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.485 7.761 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.297 7.707 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -19.658 4.808 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -21.073 3.930 -8.917 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.657 9.744 -7.933 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.896 10.444 -9.004 1.00 0.00 C ATOM 2314 C GLU B 51 -16.428 10.609 -8.624 1.00 0.00 C ATOM 2315 O GLU B 51 -15.550 10.426 -9.447 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.532 11.813 -9.259 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.916 12.454 -10.502 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.540 13.834 -10.719 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -18.062 14.782 -10.116 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -19.484 13.921 -11.484 1.00 0.00 O ATOM 0 H GLU B 51 -19.569 10.148 -7.720 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.936 9.842 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.608 11.704 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.382 12.459 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.836 12.545 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -18.088 11.823 -11.374 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.133 10.920 -7.401 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.704 11.053 -7.017 1.00 0.00 C ATOM 2329 C VAL B 52 -14.140 9.654 -6.905 1.00 0.00 C ATOM 2330 O VAL B 52 -13.017 9.391 -7.286 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.585 11.823 -5.687 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.661 11.343 -4.713 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -13.201 11.606 -5.057 1.00 0.00 C ATOM 0 H VAL B 52 -16.809 11.087 -6.655 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.143 11.618 -7.761 1.00 0.00 H new ATOM 0 HB VAL B 52 -14.718 12.885 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.573 11.890 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.647 11.519 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.532 10.277 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -13.138 12.158 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -13.052 10.544 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -12.430 11.962 -5.740 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.916 8.739 -6.411 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.418 7.352 -6.317 1.00 0.00 C ATOM 2345 C VAL B 53 -14.187 6.886 -7.756 1.00 0.00 C ATOM 2346 O VAL B 53 -13.368 6.038 -8.028 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.449 6.473 -5.550 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.159 5.482 -6.483 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.746 5.668 -4.452 1.00 0.00 C ATOM 0 H VAL B 53 -15.866 8.892 -6.071 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.487 7.275 -5.756 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.186 7.152 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.870 4.888 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.689 6.031 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.422 4.823 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.478 5.058 -3.923 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.991 5.022 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.268 6.351 -3.750 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.892 7.474 -8.685 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.694 7.095 -10.107 1.00 0.00 C ATOM 2361 C ASP B 54 -13.407 7.759 -10.586 1.00 0.00 C ATOM 2362 O ASP B 54 -12.671 7.219 -11.388 1.00 0.00 O ATOM 2363 CB ASP B 54 -15.878 7.584 -10.947 1.00 0.00 C ATOM 2364 CG ASP B 54 -15.812 6.951 -12.338 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -15.039 7.434 -13.150 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.534 5.995 -12.569 1.00 0.00 O ATOM 0 H ASP B 54 -15.592 8.197 -8.519 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.627 6.012 -10.209 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.817 7.320 -10.460 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.856 8.671 -11.029 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.127 8.927 -10.077 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.879 9.637 -10.476 1.00 0.00 C ATOM 2373 C LYS B 55 -10.679 8.967 -9.798 1.00 0.00 C ATOM 2374 O LYS B 55 -9.739 8.552 -10.448 1.00 0.00 O ATOM 2375 CB LYS B 55 -11.961 11.103 -10.028 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.764 11.910 -10.601 1.00 0.00 C ATOM 2377 CD LYS B 55 -10.206 12.872 -9.538 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.254 12.122 -8.603 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.679 13.077 -7.615 1.00 0.00 N ATOM 0 H LYS B 55 -13.709 9.421 -9.401 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.762 9.592 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.900 11.542 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.958 11.158 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.981 11.227 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.084 12.473 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.681 13.696 -10.021 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -11.024 13.308 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -9.787 11.324 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.456 11.652 -9.178 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -8.032 12.570 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.157 13.823 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.446 13.505 -7.059 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.709 8.856 -8.495 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.571 8.208 -7.775 1.00 0.00 C ATOM 2395 C VAL B 56 -9.304 6.851 -8.429 1.00 0.00 C ATOM 2396 O VAL B 56 -8.175 6.480 -8.687 1.00 0.00 O ATOM 2397 CB VAL B 56 -9.919 8.047 -6.276 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.757 6.783 -6.042 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.627 7.945 -5.452 1.00 0.00 C ATOM 0 H VAL B 56 -11.469 9.185 -7.900 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.674 8.824 -7.841 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.496 8.918 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.989 6.692 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.684 6.850 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.194 5.908 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -8.876 7.832 -4.397 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.051 7.081 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.035 8.850 -5.590 1.00 0.00 H new ATOM 2409 N MET B 57 -10.345 6.118 -8.712 1.00 0.00 N ATOM 2410 CA MET B 57 -10.171 4.794 -9.361 1.00 0.00 C ATOM 2411 C MET B 57 -9.514 4.999 -10.726 1.00 0.00 C ATOM 2412 O MET B 57 -8.805 4.146 -11.221 1.00 0.00 O ATOM 2413 CB MET B 57 -11.541 4.129 -9.524 1.00 0.00 C ATOM 2414 CG MET B 57 -12.100 3.742 -8.143 1.00 0.00 C ATOM 2415 SD MET B 57 -11.521 2.086 -7.696 1.00 0.00 S ATOM 2416 CE MET B 57 -13.003 1.182 -8.211 1.00 0.00 C ATOM 0 H MET B 57 -11.311 6.382 -8.520 1.00 0.00 H new ATOM 0 HA MET B 57 -9.538 4.151 -8.750 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.228 4.809 -10.027 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.453 3.243 -10.152 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.778 4.465 -7.394 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.190 3.765 -8.161 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.796 0.112 -8.207 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.818 1.397 -7.520 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.288 1.493 -9.216 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.724 6.141 -11.325 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.091 6.419 -12.646 1.00 0.00 C ATOM 2428 C GLU B 58 -7.584 6.535 -12.433 1.00 0.00 C ATOM 2429 O GLU B 58 -6.788 6.088 -13.238 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.640 7.738 -13.209 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.392 7.808 -14.719 1.00 0.00 C ATOM 2432 CD GLU B 58 -10.357 6.868 -15.445 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -11.501 7.250 -15.626 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -9.934 5.783 -15.812 1.00 0.00 O ATOM 0 H GLU B 58 -10.306 6.893 -10.956 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.311 5.618 -13.351 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.708 7.814 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.160 8.582 -12.714 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.529 8.830 -15.073 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.362 7.530 -14.941 1.00 0.00 H new ATOM 2441 N THR B 59 -7.195 7.133 -11.345 1.00 0.00 N ATOM 2442 CA THR B 59 -5.750 7.290 -11.052 1.00 0.00 C ATOM 2443 C THR B 59 -5.190 5.992 -10.470 1.00 0.00 C ATOM 2444 O THR B 59 -4.015 5.712 -10.590 1.00 0.00 O ATOM 2445 CB THR B 59 -5.564 8.413 -10.034 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.109 9.619 -10.554 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.073 8.602 -9.754 1.00 0.00 C ATOM 0 H THR B 59 -7.823 7.522 -10.642 1.00 0.00 H new ATOM 0 HA THR B 59 -5.222 7.529 -11.975 1.00 0.00 H new ATOM 0 HB THR B 59 -6.077 8.155 -9.108 1.00 0.00 H new ATOM 0 HG1 THR B 59 -5.991 10.340 -9.900 1.00 0.00 H new ATOM 0 HG21 THR B 59 -3.938 9.403 -9.027 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.658 7.677 -9.355 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.559 8.861 -10.680 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.015 5.204 -9.821 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.513 3.928 -9.210 1.00 0.00 C ATOM 2457 C LEU B 60 -5.801 2.737 -10.130 1.00 0.00 C ATOM 2458 O LEU B 60 -4.947 1.895 -10.331 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.196 3.705 -7.850 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.401 4.385 -6.728 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.018 3.713 -6.540 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.223 5.873 -7.053 1.00 0.00 C ATOM 0 H LEU B 60 -7.010 5.387 -9.688 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.435 4.009 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.210 4.103 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.278 2.637 -7.649 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.957 4.279 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.476 4.215 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.156 2.663 -6.283 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.448 3.788 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.658 6.355 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.683 5.978 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.201 6.346 -7.141 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.969 2.638 -10.698 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.254 1.483 -11.597 1.00 0.00 C ATOM 2476 C ASP B 61 -6.201 1.435 -12.696 1.00 0.00 C ATOM 2477 O ASP B 61 -6.265 2.149 -13.676 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.649 1.663 -12.193 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.072 0.396 -12.930 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.348 -0.578 -12.847 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.113 0.422 -13.565 1.00 0.00 O ATOM 0 H ASP B 61 -7.735 3.301 -10.581 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.221 0.545 -11.043 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.364 1.889 -11.402 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.653 2.510 -12.879 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.223 0.589 -12.524 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.139 0.469 -13.538 1.00 0.00 C ATOM 2488 C GLU B 62 -4.535 -0.588 -14.552 1.00 0.00 C ATOM 2489 O GLU B 62 -4.320 -0.439 -15.741 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.825 0.070 -12.861 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.994 -1.278 -12.161 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.777 -1.546 -11.274 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.794 -1.121 -10.129 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -0.846 -2.171 -11.755 1.00 0.00 O ATOM 0 H GLU B 62 -5.128 -0.029 -11.718 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.996 1.428 -14.036 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.027 0.009 -13.601 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.531 0.831 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.903 -1.276 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -3.102 -2.073 -12.899 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.142 -1.645 -14.105 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.576 -2.680 -15.065 1.00 0.00 C ATOM 2503 C ASP B 63 -6.819 -2.144 -15.765 1.00 0.00 C ATOM 2504 O ASP B 63 -7.338 -2.746 -16.684 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.904 -3.980 -14.324 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.646 -3.659 -13.026 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.371 -2.682 -13.010 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.477 -4.398 -12.071 1.00 0.00 O ATOM 0 H ASP B 63 -5.354 -1.834 -13.125 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.789 -2.898 -15.787 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.516 -4.625 -14.954 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.987 -4.526 -14.105 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.298 -0.997 -15.336 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.506 -0.418 -15.987 1.00 0.00 C ATOM 2515 C GLY B 64 -9.645 -1.418 -15.864 1.00 0.00 C ATOM 2516 O GLY B 64 -10.346 -1.699 -16.817 1.00 0.00 O ATOM 0 H GLY B 64 -6.906 -0.447 -14.572 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.777 0.525 -15.513 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.304 -0.201 -17.036 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.816 -1.978 -14.695 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.894 -2.992 -14.490 1.00 0.00 C ATOM 2522 C ASP B 65 -12.056 -2.372 -13.717 1.00 0.00 C ATOM 2523 O ASP B 65 -13.070 -3.004 -13.498 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.318 -4.163 -13.691 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.864 -3.661 -12.320 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.858 -2.457 -12.126 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.528 -4.489 -11.489 1.00 0.00 O ATOM 0 H ASP B 65 -9.253 -1.776 -13.869 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.260 -3.338 -15.457 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.069 -4.944 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.478 -4.606 -14.226 1.00 0.00 H new ATOM 2532 N GLY B 66 -11.923 -1.146 -13.289 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.035 -0.514 -12.521 1.00 0.00 C ATOM 2534 C GLY B 66 -13.016 -1.075 -11.102 1.00 0.00 C ATOM 2535 O GLY B 66 -13.790 -0.682 -10.249 1.00 0.00 O ATOM 0 H GLY B 66 -11.102 -0.559 -13.435 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.916 0.569 -12.503 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.992 -0.722 -12.999 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.119 -1.992 -10.854 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.992 -2.611 -9.502 1.00 0.00 C ATOM 2541 C GLU B 67 -10.574 -2.354 -8.996 1.00 0.00 C ATOM 2542 O GLU B 67 -9.710 -1.946 -9.748 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.243 -4.117 -9.608 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.718 -4.361 -9.936 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.934 -5.842 -10.255 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -12.969 -6.496 -10.615 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.059 -6.295 -10.132 1.00 0.00 O ATOM 0 H GLU B 67 -11.457 -2.345 -11.545 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.719 -2.182 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.610 -4.549 -10.383 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.981 -4.608 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.342 -4.065 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.018 -3.748 -10.786 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.327 -2.565 -7.728 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.962 -2.310 -7.165 1.00 0.00 C ATOM 2556 C CYS B 68 -8.459 -3.551 -6.415 1.00 0.00 C ATOM 2557 O CYS B 68 -8.718 -3.725 -5.240 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.038 -1.113 -6.207 1.00 0.00 C ATOM 2559 SG CYS B 68 -8.918 0.427 -7.151 1.00 0.00 S ATOM 0 H CYS B 68 -11.013 -2.904 -7.054 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.266 -2.091 -7.975 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.975 -1.138 -5.650 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.231 -1.167 -5.476 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.099 0.958 -7.268 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.748 -4.414 -7.092 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.227 -5.639 -6.419 1.00 0.00 C ATOM 2567 C ASP B 69 -6.461 -5.220 -5.160 1.00 0.00 C ATOM 2568 O ASP B 69 -6.430 -4.059 -4.812 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.288 -6.395 -7.363 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.901 -6.459 -8.766 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -7.985 -5.928 -8.943 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.277 -7.040 -9.638 1.00 0.00 O ATOM 0 H ASP B 69 -7.506 -4.324 -8.079 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.058 -6.292 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.319 -5.897 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.113 -7.403 -6.986 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.843 -6.146 -4.476 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.083 -5.794 -3.238 1.00 0.00 C ATOM 2579 C PHE B 70 -3.824 -4.992 -3.593 1.00 0.00 C ATOM 2580 O PHE B 70 -3.326 -4.214 -2.803 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.676 -7.085 -2.498 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.436 -8.198 -3.495 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.285 -8.192 -4.288 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.372 -9.231 -3.629 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.069 -9.216 -5.217 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.157 -10.255 -4.559 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.006 -10.247 -5.353 1.00 0.00 C ATOM 0 H PHE B 70 -5.831 -7.136 -4.722 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.720 -5.186 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.774 -6.909 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.459 -7.375 -1.798 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.562 -7.397 -4.184 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.260 -9.238 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.179 -9.211 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.880 -11.051 -4.663 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.840 -11.036 -6.071 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.278 -5.210 -4.753 1.00 0.00 N ATOM 2598 CA GLN B 71 -2.025 -4.513 -5.139 1.00 0.00 C ATOM 2599 C GLN B 71 -2.250 -3.011 -5.329 1.00 0.00 C ATOM 2600 O GLN B 71 -1.483 -2.198 -4.839 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.484 -5.132 -6.430 1.00 0.00 C ATOM 2602 CG GLN B 71 -0.154 -4.475 -6.788 1.00 0.00 C ATOM 2603 CD GLN B 71 0.429 -5.139 -8.036 1.00 0.00 C ATOM 2604 OE1 GLN B 71 0.382 -4.579 -9.113 1.00 0.00 O ATOM 2605 NE2 GLN B 71 0.977 -6.319 -7.936 1.00 0.00 N ATOM 0 H GLN B 71 -3.650 -5.848 -5.457 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.300 -4.635 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -1.349 -6.206 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.200 -4.994 -7.240 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.300 -3.409 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.544 -4.567 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.016 -6.788 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.366 -6.772 -8.763 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.293 -2.611 -6.005 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.530 -1.150 -6.187 1.00 0.00 C ATOM 2616 C GLU B 72 -4.405 -0.644 -5.045 1.00 0.00 C ATOM 2617 O GLU B 72 -4.279 0.480 -4.604 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.205 -0.894 -7.542 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.622 -1.526 -7.590 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.844 -2.228 -8.937 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.680 -1.577 -9.956 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.173 -3.402 -8.922 1.00 0.00 O ATOM 0 H GLU B 72 -3.985 -3.225 -6.435 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.580 -0.615 -6.174 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -4.276 0.179 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.591 -1.309 -8.341 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.737 -2.241 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.378 -0.754 -7.445 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.290 -1.462 -4.548 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.150 -1.005 -3.424 1.00 0.00 C ATOM 2631 C PHE B 73 -5.257 -0.442 -2.324 1.00 0.00 C ATOM 2632 O PHE B 73 -5.517 0.607 -1.773 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.973 -2.177 -2.877 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.557 -1.823 -1.528 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.336 -0.671 -1.384 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.306 -2.644 -0.419 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.867 -0.341 -0.134 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.834 -2.312 0.828 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.614 -1.162 0.971 1.00 0.00 C ATOM 0 H PHE B 73 -5.453 -2.417 -4.868 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.837 -0.236 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.774 -2.425 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.343 -3.062 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.527 -0.037 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.704 -3.533 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.472 0.547 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.640 -2.943 1.683 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.023 -0.906 1.937 1.00 0.00 H new ATOM 2649 N MET B 74 -4.197 -1.108 -2.000 1.00 0.00 N ATOM 2650 CA MET B 74 -3.323 -0.546 -0.952 1.00 0.00 C ATOM 2651 C MET B 74 -2.736 0.733 -1.527 1.00 0.00 C ATOM 2652 O MET B 74 -2.626 1.743 -0.861 1.00 0.00 O ATOM 2653 CB MET B 74 -2.221 -1.554 -0.593 1.00 0.00 C ATOM 2654 CG MET B 74 -1.726 -1.331 0.843 1.00 0.00 C ATOM 2655 SD MET B 74 -0.895 -2.832 1.426 1.00 0.00 S ATOM 2656 CE MET B 74 0.420 -2.029 2.370 1.00 0.00 C ATOM 0 H MET B 74 -3.902 -1.997 -2.404 1.00 0.00 H new ATOM 0 HA MET B 74 -3.872 -0.336 -0.034 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.603 -2.570 -0.697 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.389 -1.453 -1.289 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.040 -0.485 0.877 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.564 -1.088 1.496 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.892 -2.758 3.029 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.164 -1.624 1.685 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.002 -1.220 2.967 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.353 0.685 -2.774 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.767 1.908 -3.394 1.00 0.00 C ATOM 2668 C ALA B 75 -2.723 3.084 -3.178 1.00 0.00 C ATOM 2669 O ALA B 75 -2.320 4.231 -3.186 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.539 1.684 -4.890 1.00 0.00 C ATOM 0 H ALA B 75 -2.418 -0.132 -3.381 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.806 2.127 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.111 2.584 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.854 0.849 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.490 1.460 -5.373 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.987 2.820 -2.963 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.928 3.956 -2.728 1.00 0.00 C ATOM 2678 C PHE B 76 -4.584 4.572 -1.374 1.00 0.00 C ATOM 2679 O PHE B 76 -4.357 5.758 -1.271 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.395 3.479 -2.764 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.311 4.506 -2.119 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.244 5.854 -2.499 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.228 4.106 -1.138 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.093 6.795 -1.901 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.074 5.045 -0.540 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.008 6.389 -0.920 1.00 0.00 C ATOM 0 H PHE B 76 -4.401 1.888 -2.940 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.821 4.700 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.702 3.308 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.485 2.526 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.537 6.167 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.282 3.069 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.042 7.833 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.779 4.732 0.216 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.662 7.114 -0.458 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.512 3.777 -0.337 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.149 4.354 0.991 1.00 0.00 C ATOM 2698 C VAL B 77 -2.783 5.028 0.869 1.00 0.00 C ATOM 2699 O VAL B 77 -2.492 6.013 1.512 1.00 0.00 O ATOM 2700 CB VAL B 77 -4.068 3.260 2.053 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.651 3.891 3.379 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.433 2.602 2.224 1.00 0.00 C ATOM 0 H VAL B 77 -4.685 2.772 -0.350 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.913 5.072 1.288 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.341 2.508 1.746 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.590 3.119 4.146 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.677 4.367 3.265 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.388 4.638 3.674 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.369 1.822 2.983 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.162 3.351 2.534 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.746 2.162 1.277 1.00 0.00 H new ATOM 2712 N SER B 78 -1.942 4.513 0.036 1.00 0.00 N ATOM 2713 CA SER B 78 -0.610 5.134 -0.141 1.00 0.00 C ATOM 2714 C SER B 78 -0.818 6.521 -0.726 1.00 0.00 C ATOM 2715 O SER B 78 -0.060 7.435 -0.485 1.00 0.00 O ATOM 2716 CB SER B 78 0.214 4.300 -1.110 1.00 0.00 C ATOM 2717 OG SER B 78 -0.124 4.666 -2.441 1.00 0.00 O ATOM 0 H SER B 78 -2.117 3.685 -0.534 1.00 0.00 H new ATOM 0 HA SER B 78 -0.087 5.192 0.813 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.278 4.461 -0.934 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.021 3.239 -0.951 1.00 0.00 H new ATOM 0 HG SER B 78 -1.098 4.641 -2.550 1.00 0.00 H new ATOM 2723 N MET B 79 -1.853 6.675 -1.498 1.00 0.00 N ATOM 2724 CA MET B 79 -2.135 7.993 -2.114 1.00 0.00 C ATOM 2725 C MET B 79 -2.727 8.933 -1.067 1.00 0.00 C ATOM 2726 O MET B 79 -2.492 10.126 -1.094 1.00 0.00 O ATOM 2727 CB MET B 79 -3.117 7.828 -3.278 1.00 0.00 C ATOM 2728 CG MET B 79 -3.355 9.188 -3.965 1.00 0.00 C ATOM 2729 SD MET B 79 -3.572 8.934 -5.749 1.00 0.00 S ATOM 2730 CE MET B 79 -5.377 9.031 -5.792 1.00 0.00 C ATOM 0 H MET B 79 -2.519 5.938 -1.729 1.00 0.00 H new ATOM 0 HA MET B 79 -1.205 8.416 -2.493 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.722 7.112 -3.999 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.062 7.425 -2.913 1.00 0.00 H new ATOM 0 HG2 MET B 79 -4.238 9.670 -3.545 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.511 9.853 -3.781 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.725 8.880 -6.814 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.798 8.260 -5.147 1.00 0.00 H new ATOM 0 HE3 MET B 79 -5.697 10.012 -5.441 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.460 8.409 -0.118 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.018 9.285 0.949 1.00 0.00 C ATOM 2742 C VAL B 80 -2.922 9.425 1.985 1.00 0.00 C ATOM 2743 O VAL B 80 -2.767 10.453 2.614 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.312 8.693 1.568 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.113 7.961 0.493 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.005 7.721 2.713 1.00 0.00 C ATOM 0 H VAL B 80 -3.694 7.419 -0.038 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.310 10.254 0.544 1.00 0.00 H new ATOM 0 HB VAL B 80 -5.891 9.524 1.972 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.020 7.548 0.934 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.380 8.659 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.511 7.153 0.077 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -5.938 7.330 3.118 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.398 6.897 2.338 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.460 8.245 3.498 1.00 0.00 H new ATOM 2756 N THR B 81 -2.133 8.392 2.151 1.00 0.00 N ATOM 2757 CA THR B 81 -1.024 8.480 3.126 1.00 0.00 C ATOM 2758 C THR B 81 -0.012 9.472 2.591 1.00 0.00 C ATOM 2759 O THR B 81 0.584 10.228 3.330 1.00 0.00 O ATOM 2760 CB THR B 81 -0.341 7.120 3.282 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.312 6.121 3.547 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.666 7.182 4.432 1.00 0.00 C ATOM 0 H THR B 81 -2.214 7.504 1.655 1.00 0.00 H new ATOM 0 HA THR B 81 -1.412 8.793 4.095 1.00 0.00 H new ATOM 0 HB THR B 81 0.181 6.871 2.358 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.004 6.145 2.853 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.152 6.213 4.543 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.417 7.942 4.217 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.147 7.435 5.357 1.00 0.00 H new ATOM 2770 N THR B 82 0.207 9.471 1.301 1.00 0.00 N ATOM 2771 CA THR B 82 1.202 10.411 0.729 1.00 0.00 C ATOM 2772 C THR B 82 0.763 11.850 0.993 1.00 0.00 C ATOM 2773 O THR B 82 1.578 12.704 1.280 1.00 0.00 O ATOM 2774 CB THR B 82 1.323 10.147 -0.774 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.028 9.959 -1.318 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.173 8.883 -1.011 1.00 0.00 C ATOM 0 H THR B 82 -0.259 8.863 0.628 1.00 0.00 H new ATOM 0 HA THR B 82 2.175 10.261 1.197 1.00 0.00 H new ATOM 0 HB THR B 82 1.804 10.997 -1.258 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.630 10.431 -0.767 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.258 8.697 -2.082 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.167 9.028 -0.588 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.696 8.029 -0.531 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.512 12.143 0.928 1.00 0.00 N ATOM 2785 CA ALA B 83 -0.948 13.537 1.213 1.00 0.00 C ATOM 2786 C ALA B 83 -0.715 13.807 2.697 1.00 0.00 C ATOM 2787 O ALA B 83 -0.167 14.821 3.079 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.435 13.706 0.888 1.00 0.00 C ATOM 0 H ALA B 83 -1.257 11.486 0.694 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.381 14.238 0.600 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.740 14.730 1.101 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.604 13.489 -0.167 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.021 13.019 1.498 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.112 12.891 3.538 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.897 13.082 4.998 1.00 0.00 C ATOM 2796 C CYS B 84 0.582 13.386 5.229 1.00 0.00 C ATOM 2797 O CYS B 84 0.943 14.197 6.058 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.278 11.801 5.745 1.00 0.00 C ATOM 2799 SG CYS B 84 -0.800 11.956 7.483 1.00 0.00 S ATOM 0 H CYS B 84 -1.575 12.021 3.276 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.513 13.903 5.365 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -2.351 11.626 5.665 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.780 10.942 5.294 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.087 13.031 7.643 1.00 0.00 H new ATOM 2805 N HIS B 85 1.439 12.745 4.485 1.00 0.00 N ATOM 2806 CA HIS B 85 2.897 12.996 4.638 1.00 0.00 C ATOM 2807 C HIS B 85 3.226 14.354 4.025 1.00 0.00 C ATOM 2808 O HIS B 85 4.151 15.030 4.434 1.00 0.00 O ATOM 2809 CB HIS B 85 3.680 11.906 3.905 1.00 0.00 C ATOM 2810 CG HIS B 85 5.155 12.127 4.098 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.720 12.316 5.347 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.191 12.192 3.202 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.044 12.483 5.171 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.386 12.418 3.881 1.00 0.00 N ATOM 0 H HIS B 85 1.191 12.056 3.775 1.00 0.00 H new ATOM 0 HA HIS B 85 3.168 12.987 5.694 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.397 10.924 4.284 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.436 11.921 2.843 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.224 12.327 6.238 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.095 12.084 2.132 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.745 12.649 5.975 1.00 0.00 H new ATOM 2822 N GLU B 86 2.465 14.757 3.045 1.00 0.00 N ATOM 2823 CA GLU B 86 2.714 16.072 2.390 1.00 0.00 C ATOM 2824 C GLU B 86 2.240 17.197 3.313 1.00 0.00 C ATOM 2825 O GLU B 86 2.957 18.143 3.571 1.00 0.00 O ATOM 2826 CB GLU B 86 1.949 16.128 1.067 1.00 0.00 C ATOM 2827 CG GLU B 86 2.266 17.433 0.334 1.00 0.00 C ATOM 2828 CD GLU B 86 1.801 17.320 -1.121 1.00 0.00 C ATOM 2829 OE1 GLU B 86 0.741 16.760 -1.338 1.00 0.00 O ATOM 2830 OE2 GLU B 86 2.513 17.794 -1.990 1.00 0.00 O ATOM 0 H GLU B 86 1.678 14.229 2.668 1.00 0.00 H new ATOM 0 HA GLU B 86 3.780 16.193 2.196 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.221 15.276 0.444 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.877 16.057 1.254 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.767 18.269 0.824 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.337 17.634 0.371 1.00 0.00 H new ATOM 2837 N PHE B 87 1.041 17.098 3.818 1.00 0.00 N ATOM 2838 CA PHE B 87 0.527 18.161 4.731 1.00 0.00 C ATOM 2839 C PHE B 87 1.532 18.373 5.872 1.00 0.00 C ATOM 2840 O PHE B 87 1.958 19.479 6.135 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.836 17.736 5.302 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.926 18.021 4.292 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -2.290 19.345 4.014 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -2.571 16.966 3.635 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -3.296 19.611 3.079 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -3.575 17.234 2.699 1.00 0.00 C ATOM 2847 CZ PHE B 87 -3.938 18.556 2.421 1.00 0.00 C ATOM 0 H PHE B 87 0.395 16.329 3.639 1.00 0.00 H new ATOM 0 HA PHE B 87 0.404 19.093 4.180 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.823 16.674 5.547 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.036 18.274 6.229 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.794 20.160 4.521 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.293 15.945 3.851 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -3.577 20.631 2.865 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -4.070 16.420 2.191 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.714 18.762 1.699 1.00 0.00 H new ATOM 2857 N PHE B 88 1.919 17.323 6.548 1.00 0.00 N ATOM 2858 CA PHE B 88 2.899 17.475 7.664 1.00 0.00 C ATOM 2859 C PHE B 88 4.220 18.008 7.103 1.00 0.00 C ATOM 2860 O PHE B 88 4.649 19.097 7.427 1.00 0.00 O ATOM 2861 CB PHE B 88 3.142 16.118 8.333 1.00 0.00 C ATOM 2862 CG PHE B 88 3.866 16.329 9.644 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.189 16.892 10.732 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.214 15.962 9.774 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.856 17.089 11.946 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.879 16.158 10.989 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.201 16.722 12.075 1.00 0.00 C ATOM 0 H PHE B 88 1.600 16.369 6.376 1.00 0.00 H new ATOM 0 HA PHE B 88 2.501 18.172 8.402 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.193 15.610 8.506 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.732 15.477 7.678 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.151 17.175 10.634 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.738 15.528 8.936 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.333 17.525 12.784 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.916 15.874 11.089 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.715 16.874 13.013 1.00 0.00 H new