USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 614 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 61 CYS SG : rot -162:sc= -1.84 USER MOD Set 1.2: A 63 HIS : no HD1:sc= -2 K(o=-1.8,f=-3.2) USER MOD Set 1.3: A 85 CYS SG : rot 28:sc= 0.0862 USER MOD Set 1.4: A 88 CYS SG : rot -49:sc= 1.84 USER MOD Set 1.5: A 90 THR OG1 : rot 124:sc= 1.23 USER MOD Set 1.6: A 92 TYR OH : rot -15:sc= -1.15 USER MOD Set 2.1: A 84 GLN :FLIP amide:sc= -0.936 F(o=-2,f=-0.93) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -121:sc= 0.0102 (180deg=-1.31!) USER MOD Set 3.1: A 28 CYS SG : rot 120:sc= 0.452 USER MOD Set 3.2: A 31 CYS SG : rot -73:sc= -0.0032 USER MOD Set 3.3: A 39 SER OG : rot 83:sc= 1.24 USER MOD Set 3.4: A 66 HIS : no HE2:sc= -2.96! C(o=-1.8!,f=-8.5!) USER MOD Set 3.5: A 69 CYS SG : rot 170:sc= -0.497 USER MOD Set 4.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 17 THR OG1 : rot -56:sc= 0.452 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0105) USER MOD Single : A 32 MET CE :methyl -135:sc= -0.254 (180deg=-1.18) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc=-0.00388 (180deg=-0.304) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -93:sc= 0.108 USER MOD Single : A 44 MET CE :methyl 172:sc= -2.89! (180deg=-3.2!) USER MOD Single : A 45 THR OG1 : rot -150:sc=-0.00784 USER MOD Single : A 47 SER OG : rot -70:sc= -0.637 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -148:sc= -0.651 (180deg=-2.37!) USER MOD Single : A 74 TYR OH : rot 141:sc= 0.0387 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -4.123 7.944 -1.052 1.00 0.00 N ATOM 67 CA GLU A 8 -3.012 7.391 -1.817 1.00 0.00 C ATOM 68 C GLU A 8 -3.128 5.873 -1.925 1.00 0.00 C ATOM 69 O GLU A 8 -3.669 5.203 -1.045 1.00 0.00 O ATOM 70 CB GLU A 8 -1.679 7.767 -1.167 1.00 0.00 C ATOM 71 CG GLU A 8 -1.427 9.264 -1.118 1.00 0.00 C ATOM 72 CD GLU A 8 0.007 9.603 -0.758 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.655 8.784 -0.072 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.480 10.686 -1.160 1.00 0.00 O ATOM 0 HA GLU A 8 -3.050 7.813 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.654 7.369 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.869 7.288 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.667 9.701 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.098 9.718 -0.389 1.00 0.00 H new ATOM 81 N PRO A 9 -2.607 5.317 -3.029 1.00 0.00 N ATOM 82 CA PRO A 9 -2.640 3.873 -3.278 1.00 0.00 C ATOM 83 C PRO A 9 -1.720 3.101 -2.338 1.00 0.00 C ATOM 84 O PRO A 9 -2.038 1.989 -1.920 1.00 0.00 O ATOM 85 CB PRO A 9 -2.150 3.752 -4.724 1.00 0.00 C ATOM 86 CG PRO A 9 -1.319 4.968 -4.945 1.00 0.00 C ATOM 87 CD PRO A 9 -1.947 6.055 -4.118 1.00 0.00 C ATOM 0 HA PRO A 9 -3.632 3.453 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.567 2.842 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.985 3.711 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.286 4.795 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.301 5.242 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.201 6.752 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.661 6.639 -4.698 1.00 0.00 H new ATOM 95 N GLU A 10 -0.579 3.700 -2.010 1.00 0.00 N ATOM 96 CA GLU A 10 0.386 3.067 -1.118 1.00 0.00 C ATOM 97 C GLU A 10 -0.303 2.519 0.128 1.00 0.00 C ATOM 98 O GLU A 10 -0.143 1.349 0.473 1.00 0.00 O ATOM 99 CB GLU A 10 1.473 4.066 -0.716 1.00 0.00 C ATOM 100 CG GLU A 10 2.619 4.151 -1.711 1.00 0.00 C ATOM 101 CD GLU A 10 3.785 4.967 -1.188 1.00 0.00 C ATOM 102 OE1 GLU A 10 3.939 5.057 0.049 1.00 0.00 O ATOM 103 OE2 GLU A 10 4.544 5.515 -2.014 1.00 0.00 O ATOM 0 H GLU A 10 -0.301 4.621 -2.348 1.00 0.00 H new ATOM 0 HA GLU A 10 0.846 2.236 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.025 5.053 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.870 3.785 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.963 3.145 -1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.258 4.594 -2.639 1.00 0.00 H new ATOM 110 N GLN A 11 -1.068 3.374 0.799 1.00 0.00 N ATOM 111 CA GLN A 11 -1.780 2.976 2.008 1.00 0.00 C ATOM 112 C GLN A 11 -2.885 1.976 1.684 1.00 0.00 C ATOM 113 O GLN A 11 -3.053 0.974 2.380 1.00 0.00 O ATOM 114 CB GLN A 11 -2.373 4.203 2.703 1.00 0.00 C ATOM 115 CG GLN A 11 -3.249 5.051 1.795 1.00 0.00 C ATOM 116 CD GLN A 11 -3.788 6.286 2.492 1.00 0.00 C ATOM 117 OE1 GLN A 11 -3.268 7.388 2.317 1.00 0.00 O ATOM 118 NE2 GLN A 11 -4.835 6.106 3.288 1.00 0.00 N ATOM 0 H GLN A 11 -1.211 4.346 0.526 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.067 2.497 2.679 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.962 3.876 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.561 4.819 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.673 5.354 0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.083 4.449 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.234 5.174 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.241 6.899 3.784 1.00 0.00 H new ATOM 127 N VAL A 12 -3.636 2.254 0.624 1.00 0.00 N ATOM 128 CA VAL A 12 -4.725 1.378 0.207 1.00 0.00 C ATOM 129 C VAL A 12 -4.271 -0.076 0.154 1.00 0.00 C ATOM 130 O VAL A 12 -5.032 -0.987 0.484 1.00 0.00 O ATOM 131 CB VAL A 12 -5.275 1.784 -1.173 1.00 0.00 C ATOM 132 CG1 VAL A 12 -6.347 0.806 -1.629 1.00 0.00 C ATOM 133 CG2 VAL A 12 -5.818 3.204 -1.134 1.00 0.00 C ATOM 0 H VAL A 12 -3.511 3.079 0.038 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.516 1.481 0.949 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.458 1.753 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.724 1.109 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.921 -0.195 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.166 0.802 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.202 3.474 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.622 3.266 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.019 3.891 -0.856 1.00 0.00 H new ATOM 143 N ILE A 13 -3.027 -0.287 -0.262 1.00 0.00 N ATOM 144 CA ILE A 13 -2.471 -1.631 -0.356 1.00 0.00 C ATOM 145 C ILE A 13 -2.309 -2.257 1.025 1.00 0.00 C ATOM 146 O ILE A 13 -2.911 -3.288 1.325 1.00 0.00 O ATOM 147 CB ILE A 13 -1.106 -1.626 -1.069 1.00 0.00 C ATOM 148 CG1 ILE A 13 -1.256 -1.117 -2.504 1.00 0.00 C ATOM 149 CG2 ILE A 13 -0.498 -3.021 -1.058 1.00 0.00 C ATOM 150 CD1 ILE A 13 -2.093 -2.022 -3.382 1.00 0.00 C ATOM 0 H ILE A 13 -2.385 0.456 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.175 -2.224 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.436 -0.953 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.707 -0.125 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.266 -1.008 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.466 -3.002 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.359 -3.349 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.165 -3.713 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.157 -1.599 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.631 -3.008 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.095 -2.112 -2.962 1.00 0.00 H new ATOM 162 N ARG A 14 -1.492 -1.626 1.862 1.00 0.00 N ATOM 163 CA ARG A 14 -1.251 -2.121 3.212 1.00 0.00 C ATOM 164 C ARG A 14 -2.557 -2.224 3.995 1.00 0.00 C ATOM 165 O ARG A 14 -2.695 -3.064 4.885 1.00 0.00 O ATOM 166 CB ARG A 14 -0.275 -1.202 3.949 1.00 0.00 C ATOM 167 CG ARG A 14 1.183 -1.459 3.603 1.00 0.00 C ATOM 168 CD ARG A 14 1.781 -2.544 4.486 1.00 0.00 C ATOM 169 NE ARG A 14 3.241 -2.489 4.507 1.00 0.00 N ATOM 170 CZ ARG A 14 3.931 -1.507 5.078 1.00 0.00 C ATOM 171 NH1 ARG A 14 3.297 -0.505 5.671 1.00 0.00 N ATOM 172 NH2 ARG A 14 5.257 -1.528 5.056 1.00 0.00 N ATOM 0 H ARG A 14 -0.986 -0.771 1.629 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.814 -3.117 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.518 -0.166 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.412 -1.327 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.264 -1.754 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.754 -0.538 3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.399 -2.436 5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.460 -3.522 4.127 1.00 0.00 H new ATOM 0 HE ARG A 14 3.759 -3.245 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.277 -0.487 5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.829 0.247 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.747 -2.298 4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.786 -0.774 5.494 1.00 0.00 H new ATOM 186 N LYS A 15 -3.512 -1.365 3.657 1.00 0.00 N ATOM 187 CA LYS A 15 -4.808 -1.359 4.326 1.00 0.00 C ATOM 188 C LYS A 15 -5.532 -2.686 4.122 1.00 0.00 C ATOM 189 O LYS A 15 -6.265 -3.146 4.998 1.00 0.00 O ATOM 190 CB LYS A 15 -5.671 -0.209 3.801 1.00 0.00 C ATOM 191 CG LYS A 15 -7.112 -0.265 4.276 1.00 0.00 C ATOM 192 CD LYS A 15 -8.065 0.296 3.233 1.00 0.00 C ATOM 193 CE LYS A 15 -8.286 1.788 3.425 1.00 0.00 C ATOM 194 NZ LYS A 15 -8.563 2.478 2.134 1.00 0.00 N ATOM 0 H LYS A 15 -3.413 -0.663 2.923 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.637 -1.219 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.230 0.737 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.656 -0.222 2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.382 -1.297 4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.213 0.299 5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.664 0.112 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.020 -0.225 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.120 1.947 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.405 2.229 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.708 3.493 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.756 2.348 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.419 2.075 1.702 1.00 0.00 H new ATOM 208 N TYR A 16 -5.321 -3.297 2.962 1.00 0.00 N ATOM 209 CA TYR A 16 -5.955 -4.571 2.643 1.00 0.00 C ATOM 210 C TYR A 16 -4.981 -5.729 2.843 1.00 0.00 C ATOM 211 O TYR A 16 -5.390 -6.869 3.066 1.00 0.00 O ATOM 212 CB TYR A 16 -6.465 -4.564 1.201 1.00 0.00 C ATOM 213 CG TYR A 16 -7.451 -3.454 0.914 1.00 0.00 C ATOM 214 CD1 TYR A 16 -8.457 -3.139 1.819 1.00 0.00 C ATOM 215 CD2 TYR A 16 -7.377 -2.720 -0.264 1.00 0.00 C ATOM 216 CE1 TYR A 16 -9.360 -2.127 1.560 1.00 0.00 C ATOM 217 CE2 TYR A 16 -8.275 -1.705 -0.530 1.00 0.00 C ATOM 218 CZ TYR A 16 -9.265 -1.412 0.384 1.00 0.00 C ATOM 219 OH TYR A 16 -10.162 -0.402 0.123 1.00 0.00 O ATOM 0 H TYR A 16 -4.716 -2.931 2.227 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.799 -4.707 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.616 -4.468 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.937 -5.523 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.534 -3.696 2.741 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.604 -2.947 -0.983 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.137 -1.896 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.202 -1.143 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.956 0.002 -0.746 1.00 0.00 H new ATOM 229 N THR A 17 -3.689 -5.428 2.763 1.00 0.00 N ATOM 230 CA THR A 17 -2.656 -6.441 2.935 1.00 0.00 C ATOM 231 C THR A 17 -1.761 -6.118 4.126 1.00 0.00 C ATOM 232 O THR A 17 -1.320 -4.981 4.291 1.00 0.00 O ATOM 233 CB THR A 17 -1.783 -6.574 1.673 1.00 0.00 C ATOM 234 OG1 THR A 17 -1.065 -5.356 1.443 1.00 0.00 O ATOM 235 CG2 THR A 17 -2.637 -6.902 0.457 1.00 0.00 C ATOM 0 H THR A 17 -3.333 -4.490 2.580 1.00 0.00 H new ATOM 0 HA THR A 17 -3.168 -7.386 3.115 1.00 0.00 H new ATOM 0 HB THR A 17 -1.076 -7.388 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.698 -4.610 1.380 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.999 -6.991 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.160 -7.844 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.365 -6.106 0.298 1.00 0.00 H new ATOM 243 N GLU A 18 -1.496 -7.125 4.952 1.00 0.00 N ATOM 244 CA GLU A 18 -0.653 -6.946 6.129 1.00 0.00 C ATOM 245 C GLU A 18 0.730 -7.549 5.903 1.00 0.00 C ATOM 246 O GLU A 18 0.858 -8.728 5.578 1.00 0.00 O ATOM 247 CB GLU A 18 -1.307 -7.586 7.355 1.00 0.00 C ATOM 248 CG GLU A 18 -0.736 -7.096 8.675 1.00 0.00 C ATOM 249 CD GLU A 18 0.581 -7.762 9.024 1.00 0.00 C ATOM 250 OE1 GLU A 18 0.829 -8.882 8.530 1.00 0.00 O ATOM 251 OE2 GLU A 18 1.363 -7.163 9.791 1.00 0.00 O ATOM 0 H GLU A 18 -1.852 -8.073 4.828 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.540 -5.876 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.377 -7.381 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.188 -8.668 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.591 -6.017 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.457 -7.285 9.471 1.00 0.00 H new ATOM 258 N GLU A 19 1.762 -6.729 6.078 1.00 0.00 N ATOM 259 CA GLU A 19 3.136 -7.181 5.893 1.00 0.00 C ATOM 260 C GLU A 19 3.491 -8.270 6.901 1.00 0.00 C ATOM 261 O GLU A 19 3.163 -8.168 8.084 1.00 0.00 O ATOM 262 CB GLU A 19 4.106 -6.006 6.031 1.00 0.00 C ATOM 263 CG GLU A 19 5.560 -6.388 5.808 1.00 0.00 C ATOM 264 CD GLU A 19 6.524 -5.451 6.510 1.00 0.00 C ATOM 265 OE1 GLU A 19 6.645 -5.546 7.749 1.00 0.00 O ATOM 266 OE2 GLU A 19 7.156 -4.623 5.821 1.00 0.00 O ATOM 0 H GLU A 19 1.673 -5.749 6.347 1.00 0.00 H new ATOM 0 HA GLU A 19 3.222 -7.597 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.829 -5.231 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.001 -5.574 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.723 -7.405 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.772 -6.387 4.739 1.00 0.00 H new ATOM 273 N LEU A 20 4.164 -9.312 6.425 1.00 0.00 N ATOM 274 CA LEU A 20 4.564 -10.421 7.284 1.00 0.00 C ATOM 275 C LEU A 20 6.060 -10.371 7.576 1.00 0.00 C ATOM 276 O LEU A 20 6.872 -10.140 6.680 1.00 0.00 O ATOM 277 CB LEU A 20 4.206 -11.756 6.627 1.00 0.00 C ATOM 278 CG LEU A 20 2.818 -11.840 5.991 1.00 0.00 C ATOM 279 CD1 LEU A 20 2.614 -13.194 5.331 1.00 0.00 C ATOM 280 CD2 LEU A 20 1.738 -11.584 7.032 1.00 0.00 C ATOM 0 H LEU A 20 4.444 -9.412 5.449 1.00 0.00 H new ATOM 0 HA LEU A 20 4.025 -10.331 8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.949 -11.971 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.288 -12.541 7.378 1.00 0.00 H new ATOM 0 HG LEU A 20 2.744 -11.070 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.621 -13.235 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.367 -13.338 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.708 -13.981 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.757 -11.648 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.811 -12.331 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.872 -10.590 7.458 1.00 0.00 H new ATOM 292 N LYS A 21 6.419 -10.591 8.837 1.00 0.00 N ATOM 293 CA LYS A 21 7.818 -10.575 9.248 1.00 0.00 C ATOM 294 C LYS A 21 8.701 -11.249 8.203 1.00 0.00 C ATOM 295 O LYS A 21 9.815 -10.799 7.934 1.00 0.00 O ATOM 296 CB LYS A 21 7.982 -11.277 10.598 1.00 0.00 C ATOM 297 CG LYS A 21 7.224 -10.604 11.730 1.00 0.00 C ATOM 298 CD LYS A 21 7.398 -11.353 13.040 1.00 0.00 C ATOM 299 CE LYS A 21 6.460 -12.546 13.131 1.00 0.00 C ATOM 300 NZ LYS A 21 5.067 -12.132 13.457 1.00 0.00 N ATOM 0 H LYS A 21 5.760 -10.782 9.592 1.00 0.00 H new ATOM 0 HA LYS A 21 8.130 -9.535 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.640 -12.308 10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.041 -11.314 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.576 -9.579 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.165 -10.550 11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.430 -11.693 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.210 -10.677 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.466 -13.086 12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.822 -13.235 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.481 -12.977 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.070 -11.552 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.676 -11.578 12.669 1.00 0.00 H new ATOM 314 N VAL A 22 8.196 -12.329 7.615 1.00 0.00 N ATOM 315 CA VAL A 22 8.938 -13.062 6.597 1.00 0.00 C ATOM 316 C VAL A 22 8.008 -13.580 5.506 1.00 0.00 C ATOM 317 O VAL A 22 6.973 -14.182 5.792 1.00 0.00 O ATOM 318 CB VAL A 22 9.705 -14.250 7.208 1.00 0.00 C ATOM 319 CG1 VAL A 22 10.406 -15.050 6.121 1.00 0.00 C ATOM 320 CG2 VAL A 22 10.702 -13.761 8.248 1.00 0.00 C ATOM 0 H VAL A 22 7.276 -12.715 7.826 1.00 0.00 H new ATOM 0 HA VAL A 22 9.652 -12.363 6.161 1.00 0.00 H new ATOM 0 HB VAL A 22 8.989 -14.906 7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.942 -15.885 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.667 -15.432 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.112 -14.408 5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.235 -14.613 8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.415 -13.083 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.171 -13.236 9.042 1.00 0.00 H new ATOM 330 N ALA A 23 8.384 -13.343 4.253 1.00 0.00 N ATOM 331 CA ALA A 23 7.585 -13.788 3.118 1.00 0.00 C ATOM 332 C ALA A 23 7.156 -15.241 3.285 1.00 0.00 C ATOM 333 O ALA A 23 7.957 -16.117 3.613 1.00 0.00 O ATOM 334 CB ALA A 23 8.364 -13.611 1.823 1.00 0.00 C ATOM 0 H ALA A 23 9.237 -12.845 3.999 1.00 0.00 H new ATOM 0 HA ALA A 23 6.686 -13.174 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.756 -13.947 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.615 -12.559 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.280 -14.200 1.866 1.00 0.00 H new ATOM 340 N PRO A 24 5.861 -15.507 3.055 1.00 0.00 N ATOM 341 CA PRO A 24 5.296 -16.854 3.174 1.00 0.00 C ATOM 342 C PRO A 24 5.785 -17.787 2.071 1.00 0.00 C ATOM 343 O PRO A 24 6.558 -17.384 1.202 1.00 0.00 O ATOM 344 CB PRO A 24 3.789 -16.619 3.047 1.00 0.00 C ATOM 345 CG PRO A 24 3.667 -15.355 2.269 1.00 0.00 C ATOM 346 CD PRO A 24 4.850 -14.512 2.660 1.00 0.00 C ATOM 0 HA PRO A 24 5.588 -17.338 4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.301 -17.448 2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.319 -16.528 4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.667 -15.555 1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 24 2.731 -14.845 2.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.196 -13.895 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.609 -13.837 3.481 1.00 0.00 H new ATOM 354 N GLU A 25 5.329 -19.035 2.112 1.00 0.00 N ATOM 355 CA GLU A 25 5.721 -20.025 1.116 1.00 0.00 C ATOM 356 C GLU A 25 4.727 -20.054 -0.042 1.00 0.00 C ATOM 357 O GLU A 25 4.489 -21.101 -0.642 1.00 0.00 O ATOM 358 CB GLU A 25 5.819 -21.412 1.753 1.00 0.00 C ATOM 359 CG GLU A 25 6.887 -21.514 2.829 1.00 0.00 C ATOM 360 CD GLU A 25 6.811 -22.814 3.606 1.00 0.00 C ATOM 361 OE1 GLU A 25 5.815 -23.013 4.333 1.00 0.00 O ATOM 362 OE2 GLU A 25 7.747 -23.632 3.487 1.00 0.00 O ATOM 0 H GLU A 25 4.688 -19.384 2.824 1.00 0.00 H new ATOM 0 HA GLU A 25 6.699 -19.743 0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.853 -21.673 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.028 -22.146 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.871 -21.428 2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.784 -20.676 3.519 1.00 0.00 H new ATOM 369 N GLU A 26 4.150 -18.896 -0.349 1.00 0.00 N ATOM 370 CA GLU A 26 3.181 -18.789 -1.433 1.00 0.00 C ATOM 371 C GLU A 26 3.868 -18.401 -2.740 1.00 0.00 C ATOM 372 O GLU A 26 5.072 -18.149 -2.769 1.00 0.00 O ATOM 373 CB GLU A 26 2.104 -17.761 -1.085 1.00 0.00 C ATOM 374 CG GLU A 26 0.935 -18.343 -0.308 1.00 0.00 C ATOM 375 CD GLU A 26 0.437 -19.649 -0.895 1.00 0.00 C ATOM 376 OE1 GLU A 26 0.021 -19.651 -2.072 1.00 0.00 O ATOM 377 OE2 GLU A 26 0.464 -20.670 -0.176 1.00 0.00 O ATOM 0 H GLU A 26 4.337 -18.019 0.138 1.00 0.00 H new ATOM 0 HA GLU A 26 2.712 -19.764 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.555 -16.959 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.730 -17.313 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.236 -18.506 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.118 -17.621 -0.293 1.00 0.00 H new ATOM 384 N ASP A 27 3.092 -18.355 -3.817 1.00 0.00 N ATOM 385 CA ASP A 27 3.624 -17.997 -5.127 1.00 0.00 C ATOM 386 C ASP A 27 2.796 -16.886 -5.765 1.00 0.00 C ATOM 387 O ASP A 27 1.579 -17.010 -5.913 1.00 0.00 O ATOM 388 CB ASP A 27 3.649 -19.221 -6.043 1.00 0.00 C ATOM 389 CG ASP A 27 3.817 -20.517 -5.274 1.00 0.00 C ATOM 390 OD1 ASP A 27 4.900 -20.722 -4.687 1.00 0.00 O ATOM 391 OD2 ASP A 27 2.865 -21.325 -5.258 1.00 0.00 O ATOM 0 H ASP A 27 2.093 -18.561 -3.809 1.00 0.00 H new ATOM 0 HA ASP A 27 4.643 -17.634 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.723 -19.260 -6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.464 -19.119 -6.759 1.00 0.00 H new ATOM 396 N CYS A 28 3.462 -15.799 -6.140 1.00 0.00 N ATOM 397 CA CYS A 28 2.788 -14.664 -6.760 1.00 0.00 C ATOM 398 C CYS A 28 2.432 -14.970 -8.212 1.00 0.00 C ATOM 399 O CYS A 28 3.313 -15.175 -9.048 1.00 0.00 O ATOM 400 CB CYS A 28 3.674 -13.419 -6.692 1.00 0.00 C ATOM 401 SG CYS A 28 2.952 -11.948 -7.488 1.00 0.00 S ATOM 0 H CYS A 28 4.469 -15.680 -6.025 1.00 0.00 H new ATOM 0 HA CYS A 28 1.866 -14.476 -6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.880 -13.189 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.631 -13.641 -7.164 1.00 0.00 H new ATOM 0 HG CYS A 28 2.821 -10.999 -6.609 1.00 0.00 H new ATOM 406 N ILE A 29 1.136 -15.000 -8.504 1.00 0.00 N ATOM 407 CA ILE A 29 0.664 -15.280 -9.854 1.00 0.00 C ATOM 408 C ILE A 29 0.751 -14.038 -10.735 1.00 0.00 C ATOM 409 O ILE A 29 0.850 -14.138 -11.958 1.00 0.00 O ATOM 410 CB ILE A 29 -0.789 -15.791 -9.848 1.00 0.00 C ATOM 411 CG1 ILE A 29 -1.716 -14.750 -9.218 1.00 0.00 C ATOM 412 CG2 ILE A 29 -0.882 -17.113 -9.101 1.00 0.00 C ATOM 413 CD1 ILE A 29 -2.255 -13.742 -10.210 1.00 0.00 C ATOM 0 H ILE A 29 0.394 -14.834 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 29 1.312 -16.057 -10.260 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.105 -15.955 -10.878 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.552 -15.261 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.175 -14.222 -8.433 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.915 -17.461 -9.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.248 -17.852 -9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.550 -16.974 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.904 -13.035 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.426 -13.204 -10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.824 -14.260 -10.982 1.00 0.00 H new ATOM 425 N ILE A 30 0.715 -12.869 -10.105 1.00 0.00 N ATOM 426 CA ILE A 30 0.793 -11.607 -10.831 1.00 0.00 C ATOM 427 C ILE A 30 2.073 -11.526 -11.655 1.00 0.00 C ATOM 428 O ILE A 30 2.041 -11.194 -12.841 1.00 0.00 O ATOM 429 CB ILE A 30 0.734 -10.402 -9.874 1.00 0.00 C ATOM 430 CG1 ILE A 30 -0.674 -10.253 -9.293 1.00 0.00 C ATOM 431 CG2 ILE A 30 1.152 -9.131 -10.597 1.00 0.00 C ATOM 432 CD1 ILE A 30 -0.736 -9.341 -8.087 1.00 0.00 C ATOM 0 H ILE A 30 0.632 -12.769 -9.093 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.069 -11.573 -11.498 1.00 0.00 H new ATOM 0 HB ILE A 30 1.429 -10.575 -9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.338 -9.866 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.049 -11.238 -9.014 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.105 -8.288 -9.908 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.171 -9.241 -10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.479 -8.952 -11.436 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.763 -9.282 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.098 -9.738 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.391 -8.345 -8.366 1.00 0.00 H new ATOM 444 N CYS A 31 3.200 -11.832 -11.021 1.00 0.00 N ATOM 445 CA CYS A 31 4.492 -11.795 -11.694 1.00 0.00 C ATOM 446 C CYS A 31 5.013 -13.206 -11.950 1.00 0.00 C ATOM 447 O CYS A 31 5.997 -13.395 -12.663 1.00 0.00 O ATOM 448 CB CYS A 31 5.504 -11.009 -10.858 1.00 0.00 C ATOM 449 SG CYS A 31 5.857 -11.748 -9.231 1.00 0.00 S ATOM 0 H CYS A 31 3.244 -12.109 -10.040 1.00 0.00 H new ATOM 0 HA CYS A 31 4.359 -11.296 -12.654 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.436 -10.927 -11.418 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.130 -9.996 -10.712 1.00 0.00 H new ATOM 0 HG CYS A 31 4.840 -11.566 -8.442 1.00 0.00 H new ATOM 454 N MET A 32 4.344 -14.193 -11.362 1.00 0.00 N ATOM 455 CA MET A 32 4.739 -15.587 -11.527 1.00 0.00 C ATOM 456 C MET A 32 6.141 -15.824 -10.975 1.00 0.00 C ATOM 457 O MET A 32 6.969 -16.469 -11.618 1.00 0.00 O ATOM 458 CB MET A 32 4.685 -15.983 -13.004 1.00 0.00 C ATOM 459 CG MET A 32 3.287 -16.327 -13.491 1.00 0.00 C ATOM 460 SD MET A 32 3.133 -16.231 -15.285 1.00 0.00 S ATOM 461 CE MET A 32 3.461 -14.492 -15.560 1.00 0.00 C ATOM 0 H MET A 32 3.527 -14.053 -10.768 1.00 0.00 H new ATOM 0 HA MET A 32 4.038 -16.206 -10.967 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.079 -15.164 -13.606 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.338 -16.840 -13.166 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.029 -17.333 -13.161 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.569 -15.647 -13.032 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.730 -14.090 -16.262 1.00 0.00 H new ATOM 0 HE2 MET A 32 3.390 -13.954 -14.615 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.463 -14.371 -15.971 1.00 0.00 H new ATOM 471 N GLU A 33 6.399 -15.299 -9.782 1.00 0.00 N ATOM 472 CA GLU A 33 7.702 -15.454 -9.146 1.00 0.00 C ATOM 473 C GLU A 33 7.548 -15.804 -7.669 1.00 0.00 C ATOM 474 O GLU A 33 6.519 -15.521 -7.055 1.00 0.00 O ATOM 475 CB GLU A 33 8.523 -14.171 -9.294 1.00 0.00 C ATOM 476 CG GLU A 33 9.069 -13.956 -10.696 1.00 0.00 C ATOM 477 CD GLU A 33 9.878 -15.138 -11.194 1.00 0.00 C ATOM 478 OE1 GLU A 33 10.498 -15.828 -10.358 1.00 0.00 O ATOM 479 OE2 GLU A 33 9.890 -15.373 -12.420 1.00 0.00 O ATOM 0 H GLU A 33 5.724 -14.763 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 33 8.225 -16.271 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.901 -13.318 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.354 -14.198 -8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.241 -13.773 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.694 -13.063 -10.706 1.00 0.00 H new ATOM 486 N LYS A 34 8.579 -16.423 -7.103 1.00 0.00 N ATOM 487 CA LYS A 34 8.561 -16.812 -5.698 1.00 0.00 C ATOM 488 C LYS A 34 8.720 -15.594 -4.793 1.00 0.00 C ATOM 489 O LYS A 34 9.670 -14.824 -4.934 1.00 0.00 O ATOM 490 CB LYS A 34 9.676 -17.821 -5.413 1.00 0.00 C ATOM 491 CG LYS A 34 9.324 -19.245 -5.809 1.00 0.00 C ATOM 492 CD LYS A 34 9.752 -19.548 -7.235 1.00 0.00 C ATOM 493 CE LYS A 34 11.128 -20.195 -7.279 1.00 0.00 C ATOM 494 NZ LYS A 34 12.218 -19.180 -7.281 1.00 0.00 N ATOM 0 H LYS A 34 9.438 -16.666 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 34 7.597 -17.275 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.576 -17.516 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.913 -17.797 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.808 -19.944 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.249 -19.396 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.023 -20.210 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.764 -18.626 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.247 -20.854 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.209 -20.817 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.118 -19.637 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.001 -18.439 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.297 -18.754 -6.336 1.00 0.00 H new ATOM 508 N LEU A 35 7.785 -15.427 -3.865 1.00 0.00 N ATOM 509 CA LEU A 35 7.821 -14.303 -2.936 1.00 0.00 C ATOM 510 C LEU A 35 9.221 -14.120 -2.358 1.00 0.00 C ATOM 511 O LEU A 35 9.633 -13.003 -2.046 1.00 0.00 O ATOM 512 CB LEU A 35 6.815 -14.518 -1.804 1.00 0.00 C ATOM 513 CG LEU A 35 5.374 -14.798 -2.232 1.00 0.00 C ATOM 514 CD1 LEU A 35 4.595 -15.443 -1.096 1.00 0.00 C ATOM 515 CD2 LEU A 35 4.693 -13.514 -2.685 1.00 0.00 C ATOM 0 H LEU A 35 6.992 -16.056 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 35 7.553 -13.401 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.160 -15.351 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.819 -13.633 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 35 5.394 -15.492 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.572 -15.635 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.070 -16.384 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.584 -14.773 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.668 -13.732 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.685 -12.797 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.237 -13.092 -3.530 1.00 0.00 H new ATOM 527 N ALA A 36 9.949 -15.224 -2.221 1.00 0.00 N ATOM 528 CA ALA A 36 11.304 -15.184 -1.686 1.00 0.00 C ATOM 529 C ALA A 36 12.163 -14.177 -2.442 1.00 0.00 C ATOM 530 O ALA A 36 12.940 -13.434 -1.841 1.00 0.00 O ATOM 531 CB ALA A 36 11.934 -16.568 -1.743 1.00 0.00 C ATOM 0 H ALA A 36 9.623 -16.157 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 36 11.249 -14.865 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.946 -16.524 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.338 -17.264 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.970 -16.909 -2.778 1.00 0.00 H new ATOM 537 N VAL A 37 12.020 -14.157 -3.763 1.00 0.00 N ATOM 538 CA VAL A 37 12.784 -13.240 -4.601 1.00 0.00 C ATOM 539 C VAL A 37 12.061 -11.907 -4.758 1.00 0.00 C ATOM 540 O VAL A 37 10.903 -11.767 -4.363 1.00 0.00 O ATOM 541 CB VAL A 37 13.042 -13.839 -5.997 1.00 0.00 C ATOM 542 CG1 VAL A 37 13.763 -15.173 -5.880 1.00 0.00 C ATOM 543 CG2 VAL A 37 11.735 -13.994 -6.760 1.00 0.00 C ATOM 0 H VAL A 37 11.382 -14.765 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 37 13.739 -13.075 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 37 13.682 -13.155 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.937 -15.581 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.718 -15.027 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.151 -15.868 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.936 -14.418 -7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.068 -14.657 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.263 -13.018 -6.875 1.00 0.00 H new ATOM 553 N ALA A 38 12.751 -10.930 -5.337 1.00 0.00 N ATOM 554 CA ALA A 38 12.173 -9.609 -5.549 1.00 0.00 C ATOM 555 C ALA A 38 10.892 -9.695 -6.371 1.00 0.00 C ATOM 556 O ALA A 38 10.507 -10.771 -6.827 1.00 0.00 O ATOM 557 CB ALA A 38 13.181 -8.696 -6.233 1.00 0.00 C ATOM 0 H ALA A 38 13.711 -11.029 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 38 11.921 -9.190 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.736 -7.713 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.068 -8.600 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.461 -9.121 -7.197 1.00 0.00 H new ATOM 563 N SER A 39 10.235 -8.554 -6.555 1.00 0.00 N ATOM 564 CA SER A 39 8.993 -8.501 -7.318 1.00 0.00 C ATOM 565 C SER A 39 9.277 -8.321 -8.806 1.00 0.00 C ATOM 566 O SER A 39 10.292 -7.741 -9.190 1.00 0.00 O ATOM 567 CB SER A 39 8.108 -7.360 -6.814 1.00 0.00 C ATOM 568 OG SER A 39 7.026 -7.125 -7.698 1.00 0.00 O ATOM 0 H SER A 39 10.542 -7.654 -6.186 1.00 0.00 H new ATOM 0 HA SER A 39 8.469 -9.446 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.726 -7.603 -5.823 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.703 -6.452 -6.713 1.00 0.00 H new ATOM 0 HG SER A 39 6.305 -7.762 -7.509 1.00 0.00 H new ATOM 574 N GLY A 40 8.372 -8.824 -9.640 1.00 0.00 N ATOM 575 CA GLY A 40 8.543 -8.709 -11.077 1.00 0.00 C ATOM 576 C GLY A 40 8.497 -7.271 -11.553 1.00 0.00 C ATOM 577 O GLY A 40 9.019 -6.945 -12.620 1.00 0.00 O ATOM 0 H GLY A 40 7.524 -9.309 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.497 -9.153 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.762 -9.280 -11.580 1.00 0.00 H new ATOM 581 N TYR A 41 7.870 -6.407 -10.762 1.00 0.00 N ATOM 582 CA TYR A 41 7.753 -4.996 -11.111 1.00 0.00 C ATOM 583 C TYR A 41 8.714 -4.149 -10.281 1.00 0.00 C ATOM 584 O TYR A 41 8.731 -2.923 -10.390 1.00 0.00 O ATOM 585 CB TYR A 41 6.317 -4.514 -10.900 1.00 0.00 C ATOM 586 CG TYR A 41 5.309 -5.209 -11.785 1.00 0.00 C ATOM 587 CD1 TYR A 41 4.747 -6.424 -11.411 1.00 0.00 C ATOM 588 CD2 TYR A 41 4.916 -4.652 -12.996 1.00 0.00 C ATOM 589 CE1 TYR A 41 3.826 -7.064 -12.217 1.00 0.00 C ATOM 590 CE2 TYR A 41 3.994 -5.283 -13.808 1.00 0.00 C ATOM 591 CZ TYR A 41 3.452 -6.489 -13.414 1.00 0.00 C ATOM 592 OH TYR A 41 2.533 -7.122 -14.220 1.00 0.00 O ATOM 0 H TYR A 41 7.435 -6.659 -9.875 1.00 0.00 H new ATOM 0 HA TYR A 41 8.015 -4.885 -12.163 1.00 0.00 H new ATOM 0 HB2 TYR A 41 6.040 -4.669 -9.857 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.272 -3.441 -11.086 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.036 -6.876 -10.473 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.339 -3.709 -13.308 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.401 -8.009 -11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.699 -4.835 -14.746 1.00 0.00 H new ATOM 0 HH TYR A 41 2.379 -6.585 -15.025 1.00 0.00 H new ATOM 602 N SER A 42 9.512 -4.813 -9.451 1.00 0.00 N ATOM 603 CA SER A 42 10.474 -4.123 -8.600 1.00 0.00 C ATOM 604 C SER A 42 11.115 -2.954 -9.341 1.00 0.00 C ATOM 605 O SER A 42 11.536 -1.972 -8.729 1.00 0.00 O ATOM 606 CB SER A 42 11.555 -5.095 -8.124 1.00 0.00 C ATOM 607 OG SER A 42 12.360 -5.531 -9.206 1.00 0.00 O ATOM 0 H SER A 42 9.511 -5.828 -9.350 1.00 0.00 H new ATOM 0 HA SER A 42 9.940 -3.732 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.180 -4.610 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.089 -5.955 -7.643 1.00 0.00 H new ATOM 0 HG SER A 42 11.996 -6.365 -9.570 1.00 0.00 H new ATOM 613 N ASP A 43 11.185 -3.067 -10.663 1.00 0.00 N ATOM 614 CA ASP A 43 11.773 -2.019 -11.490 1.00 0.00 C ATOM 615 C ASP A 43 10.698 -1.074 -12.015 1.00 0.00 C ATOM 616 O ASP A 43 10.824 0.146 -11.908 1.00 0.00 O ATOM 617 CB ASP A 43 12.544 -2.635 -12.658 1.00 0.00 C ATOM 618 CG ASP A 43 13.132 -1.586 -13.581 1.00 0.00 C ATOM 619 OD1 ASP A 43 13.865 -0.705 -13.086 1.00 0.00 O ATOM 620 OD2 ASP A 43 12.858 -1.645 -14.799 1.00 0.00 O ATOM 0 H ASP A 43 10.842 -3.873 -11.185 1.00 0.00 H new ATOM 0 HA ASP A 43 12.463 -1.446 -10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.346 -3.263 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.878 -3.284 -13.227 1.00 0.00 H new ATOM 625 N MET A 44 9.641 -1.645 -12.584 1.00 0.00 N ATOM 626 CA MET A 44 8.544 -0.852 -13.126 1.00 0.00 C ATOM 627 C MET A 44 8.126 0.240 -12.145 1.00 0.00 C ATOM 628 O MET A 44 7.832 1.368 -12.544 1.00 0.00 O ATOM 629 CB MET A 44 7.348 -1.750 -13.447 1.00 0.00 C ATOM 630 CG MET A 44 6.338 -1.105 -14.383 1.00 0.00 C ATOM 631 SD MET A 44 5.149 -0.066 -13.512 1.00 0.00 S ATOM 632 CE MET A 44 3.806 -1.225 -13.263 1.00 0.00 C ATOM 0 H MET A 44 9.521 -2.653 -12.682 1.00 0.00 H new ATOM 0 HA MET A 44 8.890 -0.378 -14.044 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.709 -2.675 -13.897 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.848 -2.021 -12.517 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.866 -0.504 -15.123 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.804 -1.884 -14.927 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.054 -0.776 -12.614 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.355 -1.472 -14.224 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.190 -2.133 -12.799 1.00 0.00 H new ATOM 642 N THR A 45 8.101 -0.102 -10.861 1.00 0.00 N ATOM 643 CA THR A 45 7.717 0.848 -9.824 1.00 0.00 C ATOM 644 C THR A 45 8.903 1.197 -8.933 1.00 0.00 C ATOM 645 O THR A 45 9.824 0.397 -8.767 1.00 0.00 O ATOM 646 CB THR A 45 6.577 0.294 -8.949 1.00 0.00 C ATOM 647 OG1 THR A 45 6.225 1.249 -7.941 1.00 0.00 O ATOM 648 CG2 THR A 45 6.986 -1.016 -8.293 1.00 0.00 C ATOM 0 H THR A 45 8.342 -1.030 -10.514 1.00 0.00 H new ATOM 0 HA THR A 45 7.370 1.748 -10.332 1.00 0.00 H new ATOM 0 HB THR A 45 5.715 0.107 -9.589 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.895 0.780 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.165 -1.388 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.225 -1.749 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.861 -0.851 -7.665 1.00 0.00 H new ATOM 656 N ASP A 46 8.874 2.396 -8.361 1.00 0.00 N ATOM 657 CA ASP A 46 9.947 2.851 -7.484 1.00 0.00 C ATOM 658 C ASP A 46 9.393 3.297 -6.135 1.00 0.00 C ATOM 659 O ASP A 46 9.898 4.242 -5.527 1.00 0.00 O ATOM 660 CB ASP A 46 10.718 3.998 -8.138 1.00 0.00 C ATOM 661 CG ASP A 46 11.836 4.520 -7.258 1.00 0.00 C ATOM 662 OD1 ASP A 46 12.459 3.707 -6.545 1.00 0.00 O ATOM 663 OD2 ASP A 46 12.089 5.743 -7.284 1.00 0.00 O ATOM 0 H ASP A 46 8.119 3.070 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 46 10.627 2.015 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.135 3.658 -9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.029 4.811 -8.366 1.00 0.00 H new ATOM 668 N SER A 47 8.352 2.613 -5.672 1.00 0.00 N ATOM 669 CA SER A 47 7.726 2.943 -4.397 1.00 0.00 C ATOM 670 C SER A 47 8.779 3.296 -3.350 1.00 0.00 C ATOM 671 O SER A 47 9.859 2.707 -3.315 1.00 0.00 O ATOM 672 CB SER A 47 6.875 1.771 -3.904 1.00 0.00 C ATOM 673 OG SER A 47 7.681 0.772 -3.304 1.00 0.00 O ATOM 0 H SER A 47 7.924 1.827 -6.161 1.00 0.00 H new ATOM 0 HA SER A 47 7.084 3.811 -4.550 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.139 2.129 -3.184 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.321 1.343 -4.740 1.00 0.00 H new ATOM 0 HG SER A 47 8.214 0.324 -3.994 1.00 0.00 H new ATOM 679 N LYS A 48 8.455 4.263 -2.499 1.00 0.00 N ATOM 680 CA LYS A 48 9.370 4.697 -1.449 1.00 0.00 C ATOM 681 C LYS A 48 9.104 3.944 -0.150 1.00 0.00 C ATOM 682 O LYS A 48 10.033 3.476 0.509 1.00 0.00 O ATOM 683 CB LYS A 48 9.233 6.203 -1.215 1.00 0.00 C ATOM 684 CG LYS A 48 10.141 6.733 -0.119 1.00 0.00 C ATOM 685 CD LYS A 48 10.447 8.209 -0.313 1.00 0.00 C ATOM 686 CE LYS A 48 10.926 8.854 0.978 1.00 0.00 C ATOM 687 NZ LYS A 48 9.788 9.272 1.844 1.00 0.00 N ATOM 0 H LYS A 48 7.565 4.762 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 48 10.387 4.477 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.454 6.728 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.198 6.430 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.667 6.583 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.072 6.166 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.209 8.325 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.554 8.723 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.558 8.152 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.542 9.722 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.156 9.707 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.199 9.961 1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.214 8.440 2.089 1.00 0.00 H new ATOM 701 N ALA A 49 7.831 3.829 0.212 1.00 0.00 N ATOM 702 CA ALA A 49 7.443 3.130 1.431 1.00 0.00 C ATOM 703 C ALA A 49 7.391 1.623 1.206 1.00 0.00 C ATOM 704 O ALA A 49 7.961 0.849 1.977 1.00 0.00 O ATOM 705 CB ALA A 49 6.097 3.638 1.926 1.00 0.00 C ATOM 0 H ALA A 49 7.050 4.211 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 49 8.197 3.332 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.820 3.107 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.166 4.706 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.340 3.466 1.161 1.00 0.00 H new ATOM 711 N LEU A 50 6.704 1.211 0.146 1.00 0.00 N ATOM 712 CA LEU A 50 6.577 -0.205 -0.181 1.00 0.00 C ATOM 713 C LEU A 50 7.912 -0.778 -0.648 1.00 0.00 C ATOM 714 O LEU A 50 8.908 -0.063 -0.738 1.00 0.00 O ATOM 715 CB LEU A 50 5.516 -0.406 -1.264 1.00 0.00 C ATOM 716 CG LEU A 50 4.085 -0.027 -0.881 1.00 0.00 C ATOM 717 CD1 LEU A 50 3.166 -0.123 -2.088 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.582 -0.915 0.248 1.00 0.00 C ATOM 0 H LEU A 50 6.226 1.838 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 50 6.271 -0.735 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.803 0.178 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.525 -1.454 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 50 4.084 1.005 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.152 0.150 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.515 0.556 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.171 -1.144 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.562 -0.631 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.598 -1.956 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.225 -0.794 1.120 1.00 0.00 H new ATOM 730 N GLY A 51 7.922 -2.074 -0.945 1.00 0.00 N ATOM 731 CA GLY A 51 9.139 -2.721 -1.402 1.00 0.00 C ATOM 732 C GLY A 51 8.861 -3.936 -2.264 1.00 0.00 C ATOM 733 O GLY A 51 7.852 -4.622 -2.101 1.00 0.00 O ATOM 0 H GLY A 51 7.110 -2.687 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.736 -2.006 -1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.734 -3.020 -0.539 1.00 0.00 H new ATOM 737 N PRO A 52 9.770 -4.216 -3.210 1.00 0.00 N ATOM 738 CA PRO A 52 9.640 -5.356 -4.121 1.00 0.00 C ATOM 739 C PRO A 52 9.825 -6.692 -3.409 1.00 0.00 C ATOM 740 O PRO A 52 9.172 -7.680 -3.743 1.00 0.00 O ATOM 741 CB PRO A 52 10.763 -5.130 -5.136 1.00 0.00 C ATOM 742 CG PRO A 52 11.774 -4.315 -4.406 1.00 0.00 C ATOM 743 CD PRO A 52 10.997 -3.440 -3.461 1.00 0.00 C ATOM 0 HA PRO A 52 8.647 -5.408 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.186 -6.075 -5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 52 10.398 -4.609 -6.021 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.471 -4.953 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.364 -3.714 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.550 -3.253 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.775 -2.469 -3.903 1.00 0.00 H new ATOM 751 N MET A 53 10.720 -6.714 -2.426 1.00 0.00 N ATOM 752 CA MET A 53 10.990 -7.928 -1.666 1.00 0.00 C ATOM 753 C MET A 53 9.900 -8.172 -0.627 1.00 0.00 C ATOM 754 O MET A 53 9.435 -9.299 -0.453 1.00 0.00 O ATOM 755 CB MET A 53 12.353 -7.834 -0.979 1.00 0.00 C ATOM 756 CG MET A 53 13.521 -8.137 -1.904 1.00 0.00 C ATOM 757 SD MET A 53 14.909 -8.902 -1.042 1.00 0.00 S ATOM 758 CE MET A 53 14.784 -10.589 -1.630 1.00 0.00 C ATOM 0 H MET A 53 11.270 -5.905 -2.138 1.00 0.00 H new ATOM 0 HA MET A 53 11.000 -8.767 -2.362 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.476 -6.832 -0.568 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.376 -8.528 -0.139 1.00 0.00 H new ATOM 0 HG2 MET A 53 13.185 -8.798 -2.703 1.00 0.00 H new ATOM 0 HG3 MET A 53 13.856 -7.213 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 53 15.577 -11.189 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 53 13.815 -11.002 -1.348 1.00 0.00 H new ATOM 0 HE3 MET A 53 14.883 -10.604 -2.715 1.00 0.00 H new ATOM 768 N VAL A 54 9.497 -7.110 0.063 1.00 0.00 N ATOM 769 CA VAL A 54 8.461 -7.209 1.084 1.00 0.00 C ATOM 770 C VAL A 54 7.201 -7.860 0.528 1.00 0.00 C ATOM 771 O VAL A 54 6.836 -7.646 -0.629 1.00 0.00 O ATOM 772 CB VAL A 54 8.101 -5.824 1.654 1.00 0.00 C ATOM 773 CG1 VAL A 54 7.531 -4.929 0.564 1.00 0.00 C ATOM 774 CG2 VAL A 54 7.120 -5.962 2.809 1.00 0.00 C ATOM 0 H VAL A 54 9.873 -6.171 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 54 8.864 -7.830 1.884 1.00 0.00 H new ATOM 0 HB VAL A 54 9.011 -5.359 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.283 -3.955 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.270 -4.804 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.631 -5.386 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.877 -4.974 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.210 -6.447 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.570 -6.564 3.599 1.00 0.00 H new ATOM 784 N VAL A 55 6.537 -8.658 1.359 1.00 0.00 N ATOM 785 CA VAL A 55 5.315 -9.341 0.950 1.00 0.00 C ATOM 786 C VAL A 55 4.258 -9.278 2.047 1.00 0.00 C ATOM 787 O VAL A 55 4.577 -9.319 3.235 1.00 0.00 O ATOM 788 CB VAL A 55 5.587 -10.816 0.598 1.00 0.00 C ATOM 789 CG1 VAL A 55 4.315 -11.492 0.112 1.00 0.00 C ATOM 790 CG2 VAL A 55 6.689 -10.919 -0.446 1.00 0.00 C ATOM 0 H VAL A 55 6.825 -8.847 2.319 1.00 0.00 H new ATOM 0 HA VAL A 55 4.946 -8.826 0.063 1.00 0.00 H new ATOM 0 HB VAL A 55 5.922 -11.331 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.527 -12.533 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.558 -11.449 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.947 -10.979 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.869 -11.968 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.385 -10.389 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.604 -10.474 -0.055 1.00 0.00 H new ATOM 800 N GLY A 56 2.996 -9.179 1.640 1.00 0.00 N ATOM 801 CA GLY A 56 1.910 -9.113 2.601 1.00 0.00 C ATOM 802 C GLY A 56 0.737 -9.991 2.211 1.00 0.00 C ATOM 803 O GLY A 56 0.572 -10.333 1.041 1.00 0.00 O ATOM 0 H GLY A 56 2.706 -9.143 0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.277 -9.417 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.572 -8.081 2.693 1.00 0.00 H new ATOM 807 N ARG A 57 -0.078 -10.357 3.195 1.00 0.00 N ATOM 808 CA ARG A 57 -1.240 -11.203 2.950 1.00 0.00 C ATOM 809 C ARG A 57 -2.534 -10.422 3.157 1.00 0.00 C ATOM 810 O ARG A 57 -2.725 -9.778 4.190 1.00 0.00 O ATOM 811 CB ARG A 57 -1.213 -12.422 3.873 1.00 0.00 C ATOM 812 CG ARG A 57 -0.533 -13.635 3.260 1.00 0.00 C ATOM 813 CD ARG A 57 -0.860 -14.905 4.030 1.00 0.00 C ATOM 814 NE ARG A 57 -0.135 -16.062 3.511 1.00 0.00 N ATOM 815 CZ ARG A 57 -0.547 -17.316 3.661 1.00 0.00 C ATOM 816 NH1 ARG A 57 -1.674 -17.573 4.310 1.00 0.00 N ATOM 817 NH2 ARG A 57 0.167 -18.315 3.160 1.00 0.00 N ATOM 0 H ARG A 57 0.045 -10.081 4.169 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.202 -11.540 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.699 -12.156 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.236 -12.686 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.849 -13.745 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.546 -13.482 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.613 -14.765 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.932 -15.095 3.977 1.00 0.00 H new ATOM 0 HE ARG A 57 0.736 -15.898 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.227 -16.807 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.989 -18.537 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.034 -18.121 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.151 -19.277 3.276 1.00 0.00 H new ATOM 831 N LEU A 58 -3.420 -10.483 2.169 1.00 0.00 N ATOM 832 CA LEU A 58 -4.697 -9.781 2.243 1.00 0.00 C ATOM 833 C LEU A 58 -5.465 -10.177 3.500 1.00 0.00 C ATOM 834 O LEU A 58 -5.228 -11.239 4.077 1.00 0.00 O ATOM 835 CB LEU A 58 -5.539 -10.082 1.002 1.00 0.00 C ATOM 836 CG LEU A 58 -4.991 -9.556 -0.325 1.00 0.00 C ATOM 837 CD1 LEU A 58 -5.302 -10.526 -1.454 1.00 0.00 C ATOM 838 CD2 LEU A 58 -5.563 -8.179 -0.630 1.00 0.00 C ATOM 0 H LEU A 58 -3.278 -11.011 1.308 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.493 -8.711 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.657 -11.163 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.534 -9.664 1.153 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.908 -9.467 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.904 -10.134 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.844 -11.492 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.382 -10.648 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.162 -7.820 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.649 -8.243 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.288 -7.486 0.166 1.00 0.00 H new ATOM 850 N THR A 59 -6.388 -9.317 3.919 1.00 0.00 N ATOM 851 CA THR A 59 -7.191 -9.577 5.107 1.00 0.00 C ATOM 852 C THR A 59 -8.570 -10.110 4.733 1.00 0.00 C ATOM 853 O THR A 59 -9.415 -10.339 5.599 1.00 0.00 O ATOM 854 CB THR A 59 -7.359 -8.306 5.961 1.00 0.00 C ATOM 855 OG1 THR A 59 -8.019 -7.289 5.200 1.00 0.00 O ATOM 856 CG2 THR A 59 -6.010 -7.794 6.440 1.00 0.00 C ATOM 0 H THR A 59 -6.598 -8.434 3.453 1.00 0.00 H new ATOM 0 HA THR A 59 -6.659 -10.329 5.689 1.00 0.00 H new ATOM 0 HB THR A 59 -7.964 -8.557 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 59 -8.124 -6.485 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.154 -6.896 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.523 -8.560 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.384 -7.558 5.579 1.00 0.00 H new ATOM 864 N LYS A 60 -8.791 -10.308 3.438 1.00 0.00 N ATOM 865 CA LYS A 60 -10.066 -10.816 2.948 1.00 0.00 C ATOM 866 C LYS A 60 -9.976 -12.308 2.640 1.00 0.00 C ATOM 867 O LYS A 60 -10.538 -13.135 3.358 1.00 0.00 O ATOM 868 CB LYS A 60 -10.496 -10.052 1.693 1.00 0.00 C ATOM 869 CG LYS A 60 -11.328 -8.816 1.990 1.00 0.00 C ATOM 870 CD LYS A 60 -12.088 -8.348 0.760 1.00 0.00 C ATOM 871 CE LYS A 60 -13.424 -9.063 0.625 1.00 0.00 C ATOM 872 NZ LYS A 60 -14.480 -8.427 1.461 1.00 0.00 N ATOM 0 H LYS A 60 -8.102 -10.124 2.708 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.811 -10.668 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.607 -9.756 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.069 -10.720 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.032 -9.034 2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.679 -8.015 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.254 -7.272 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.486 -8.528 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.735 -9.057 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.309 -10.107 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.375 -8.943 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.195 -8.455 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.608 -7.438 1.165 1.00 0.00 H new ATOM 886 N CYS A 61 -9.263 -12.644 1.570 1.00 0.00 N ATOM 887 CA CYS A 61 -9.098 -14.036 1.168 1.00 0.00 C ATOM 888 C CYS A 61 -7.827 -14.629 1.771 1.00 0.00 C ATOM 889 O CYS A 61 -7.577 -15.829 1.661 1.00 0.00 O ATOM 890 CB CYS A 61 -9.051 -14.146 -0.357 1.00 0.00 C ATOM 891 SG CYS A 61 -7.665 -13.248 -1.125 1.00 0.00 S ATOM 0 H CYS A 61 -8.790 -11.972 0.966 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.954 -14.600 1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.985 -15.198 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.987 -13.767 -0.767 1.00 0.00 H new ATOM 0 HG CYS A 61 -7.912 -13.067 -2.389 1.00 0.00 H new ATOM 896 N SER A 62 -7.028 -13.778 2.408 1.00 0.00 N ATOM 897 CA SER A 62 -5.782 -14.217 3.025 1.00 0.00 C ATOM 898 C SER A 62 -4.832 -14.794 1.980 1.00 0.00 C ATOM 899 O SER A 62 -4.271 -15.875 2.164 1.00 0.00 O ATOM 900 CB SER A 62 -6.064 -15.261 4.108 1.00 0.00 C ATOM 901 OG SER A 62 -6.661 -14.666 5.247 1.00 0.00 O ATOM 0 H SER A 62 -7.221 -12.782 2.510 1.00 0.00 H new ATOM 0 HA SER A 62 -5.307 -13.349 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.722 -16.033 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.134 -15.752 4.395 1.00 0.00 H new ATOM 0 HG SER A 62 -6.833 -15.354 5.923 1.00 0.00 H new ATOM 907 N HIS A 63 -4.656 -14.066 0.882 1.00 0.00 N ATOM 908 CA HIS A 63 -3.774 -14.504 -0.193 1.00 0.00 C ATOM 909 C HIS A 63 -2.498 -13.669 -0.223 1.00 0.00 C ATOM 910 O HIS A 63 -2.547 -12.448 -0.368 1.00 0.00 O ATOM 911 CB HIS A 63 -4.491 -14.410 -1.540 1.00 0.00 C ATOM 912 CG HIS A 63 -5.554 -15.448 -1.727 1.00 0.00 C ATOM 913 ND1 HIS A 63 -6.277 -15.585 -2.893 1.00 0.00 N ATOM 914 CD2 HIS A 63 -6.015 -16.404 -0.886 1.00 0.00 C ATOM 915 CE1 HIS A 63 -7.137 -16.578 -2.762 1.00 0.00 C ATOM 916 NE2 HIS A 63 -6.998 -17.093 -1.554 1.00 0.00 N ATOM 0 H HIS A 63 -5.113 -13.170 0.714 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.503 -15.543 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.940 -13.421 -1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.757 -14.505 -2.340 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.674 -16.590 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.835 -16.912 -3.515 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.534 -17.875 -1.178 1.00 0.00 H new ATOM 924 N ALA A 64 -1.356 -14.335 -0.085 1.00 0.00 N ATOM 925 CA ALA A 64 -0.068 -13.655 -0.097 1.00 0.00 C ATOM 926 C ALA A 64 0.229 -13.066 -1.473 1.00 0.00 C ATOM 927 O ALA A 64 0.020 -13.717 -2.496 1.00 0.00 O ATOM 928 CB ALA A 64 1.039 -14.612 0.318 1.00 0.00 C ATOM 0 H ALA A 64 -1.298 -15.346 0.037 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.112 -12.835 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.996 -14.090 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.842 -14.982 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.074 -15.451 -0.377 1.00 0.00 H new ATOM 934 N PHE A 65 0.715 -11.829 -1.489 1.00 0.00 N ATOM 935 CA PHE A 65 1.038 -11.152 -2.739 1.00 0.00 C ATOM 936 C PHE A 65 2.073 -10.054 -2.511 1.00 0.00 C ATOM 937 O PHE A 65 2.070 -9.388 -1.475 1.00 0.00 O ATOM 938 CB PHE A 65 -0.226 -10.555 -3.362 1.00 0.00 C ATOM 939 CG PHE A 65 -0.899 -11.469 -4.345 1.00 0.00 C ATOM 940 CD1 PHE A 65 -0.411 -11.601 -5.635 1.00 0.00 C ATOM 941 CD2 PHE A 65 -2.020 -12.197 -3.979 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.027 -12.442 -6.542 1.00 0.00 C ATOM 943 CE2 PHE A 65 -2.640 -13.040 -4.882 1.00 0.00 C ATOM 944 CZ PHE A 65 -2.144 -13.162 -6.165 1.00 0.00 C ATOM 0 H PHE A 65 0.894 -11.276 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 65 1.459 -11.888 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.930 -10.307 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.031 -9.622 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.461 -11.040 -5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.413 -12.105 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.636 -12.536 -7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.512 -13.603 -4.584 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.628 -13.819 -6.872 1.00 0.00 H new ATOM 954 N HIS A 66 2.959 -9.872 -3.486 1.00 0.00 N ATOM 955 CA HIS A 66 4.000 -8.855 -3.392 1.00 0.00 C ATOM 956 C HIS A 66 3.393 -7.475 -3.160 1.00 0.00 C ATOM 957 O HIS A 66 2.880 -6.847 -4.087 1.00 0.00 O ATOM 958 CB HIS A 66 4.848 -8.845 -4.665 1.00 0.00 C ATOM 959 CG HIS A 66 5.795 -10.000 -4.763 1.00 0.00 C ATOM 960 ND1 HIS A 66 5.521 -11.139 -5.491 1.00 0.00 N ATOM 961 CD2 HIS A 66 7.021 -10.189 -4.221 1.00 0.00 C ATOM 962 CE1 HIS A 66 6.536 -11.978 -5.391 1.00 0.00 C ATOM 963 NE2 HIS A 66 7.460 -11.425 -4.626 1.00 0.00 N ATOM 0 H HIS A 66 2.976 -10.415 -4.349 1.00 0.00 H new ATOM 0 HA HIS A 66 4.637 -9.099 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.187 -8.853 -5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.416 -7.916 -4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.667 -11.307 -6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.555 -9.496 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.600 -12.951 -5.856 1.00 0.00 H new ATOM 971 N LEU A 67 3.454 -7.008 -1.918 1.00 0.00 N ATOM 972 CA LEU A 67 2.910 -5.702 -1.563 1.00 0.00 C ATOM 973 C LEU A 67 3.147 -4.692 -2.681 1.00 0.00 C ATOM 974 O LEU A 67 2.384 -3.739 -2.843 1.00 0.00 O ATOM 975 CB LEU A 67 3.542 -5.200 -0.263 1.00 0.00 C ATOM 976 CG LEU A 67 3.247 -6.027 0.989 1.00 0.00 C ATOM 977 CD1 LEU A 67 3.863 -5.373 2.217 1.00 0.00 C ATOM 978 CD2 LEU A 67 1.747 -6.202 1.172 1.00 0.00 C ATOM 0 H LEU A 67 3.875 -7.515 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 67 1.835 -5.810 -1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.623 -5.158 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.203 -4.179 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 67 3.694 -7.013 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.643 -5.975 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.943 -5.300 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.445 -4.375 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.556 -6.793 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.277 -5.224 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.332 -6.714 0.304 1.00 0.00 H new ATOM 990 N LEU A 68 4.208 -4.907 -3.450 1.00 0.00 N ATOM 991 CA LEU A 68 4.545 -4.016 -4.555 1.00 0.00 C ATOM 992 C LEU A 68 3.685 -4.317 -5.779 1.00 0.00 C ATOM 993 O LEU A 68 2.996 -3.438 -6.298 1.00 0.00 O ATOM 994 CB LEU A 68 6.026 -4.153 -4.913 1.00 0.00 C ATOM 995 CG LEU A 68 6.592 -3.085 -5.850 1.00 0.00 C ATOM 996 CD1 LEU A 68 6.961 -1.832 -5.071 1.00 0.00 C ATOM 997 CD2 LEU A 68 7.800 -3.622 -6.603 1.00 0.00 C ATOM 0 H LEU A 68 4.850 -5.690 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 68 4.347 -2.992 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.605 -4.141 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.179 -5.129 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 68 5.823 -2.823 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.362 -1.084 -5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.073 -1.435 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.713 -2.078 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.189 -2.849 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.572 -3.913 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.505 -4.490 -7.193 1.00 0.00 H new ATOM 1009 N CYS A 69 3.728 -5.565 -6.234 1.00 0.00 N ATOM 1010 CA CYS A 69 2.952 -5.983 -7.395 1.00 0.00 C ATOM 1011 C CYS A 69 1.534 -5.422 -7.332 1.00 0.00 C ATOM 1012 O CYS A 69 1.026 -4.878 -8.313 1.00 0.00 O ATOM 1013 CB CYS A 69 2.904 -7.510 -7.479 1.00 0.00 C ATOM 1014 SG CYS A 69 4.450 -8.270 -8.072 1.00 0.00 S ATOM 0 H CYS A 69 4.292 -6.305 -5.816 1.00 0.00 H new ATOM 0 HA CYS A 69 3.440 -5.591 -8.287 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.670 -7.910 -6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.090 -7.801 -8.143 1.00 0.00 H new ATOM 0 HG CYS A 69 4.391 -9.558 -7.908 1.00 0.00 H new ATOM 1019 N LEU A 70 0.901 -5.558 -6.172 1.00 0.00 N ATOM 1020 CA LEU A 70 -0.459 -5.065 -5.980 1.00 0.00 C ATOM 1021 C LEU A 70 -0.548 -3.576 -6.299 1.00 0.00 C ATOM 1022 O LEU A 70 -1.556 -3.101 -6.824 1.00 0.00 O ATOM 1023 CB LEU A 70 -0.916 -5.319 -4.543 1.00 0.00 C ATOM 1024 CG LEU A 70 -0.964 -6.782 -4.102 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -0.989 -6.882 -2.585 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -2.173 -7.481 -4.705 1.00 0.00 C ATOM 0 H LEU A 70 1.307 -6.005 -5.350 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.115 -5.604 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.249 -4.779 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.910 -4.890 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.064 -7.280 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.023 -7.931 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.092 -6.419 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.870 -6.368 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.191 -8.521 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.084 -6.982 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.111 -7.441 -5.793 1.00 0.00 H new ATOM 1038 N LEU A 71 0.514 -2.843 -5.980 1.00 0.00 N ATOM 1039 CA LEU A 71 0.557 -1.407 -6.234 1.00 0.00 C ATOM 1040 C LEU A 71 0.823 -1.123 -7.709 1.00 0.00 C ATOM 1041 O LEU A 71 0.203 -0.242 -8.303 1.00 0.00 O ATOM 1042 CB LEU A 71 1.637 -0.750 -5.374 1.00 0.00 C ATOM 1043 CG LEU A 71 1.827 0.755 -5.569 1.00 0.00 C ATOM 1044 CD1 LEU A 71 0.950 1.534 -4.600 1.00 0.00 C ATOM 1045 CD2 LEU A 71 3.290 1.136 -5.391 1.00 0.00 C ATOM 0 H LEU A 71 1.356 -3.220 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.414 -0.987 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.400 -0.933 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.586 -1.245 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 71 1.527 1.011 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.099 2.603 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.096 1.284 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.219 1.274 -3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.406 2.210 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.617 0.866 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.896 0.605 -6.125 1.00 0.00 H new ATOM 1057 N ALA A 72 1.747 -1.878 -8.294 1.00 0.00 N ATOM 1058 CA ALA A 72 2.092 -1.710 -9.701 1.00 0.00 C ATOM 1059 C ALA A 72 0.868 -1.896 -10.591 1.00 0.00 C ATOM 1060 O ALA A 72 0.614 -1.093 -11.488 1.00 0.00 O ATOM 1061 CB ALA A 72 3.189 -2.688 -10.096 1.00 0.00 C ATOM 0 H ALA A 72 2.270 -2.612 -7.816 1.00 0.00 H new ATOM 0 HA ALA A 72 2.460 -0.694 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.436 -2.551 -11.149 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.075 -2.506 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.842 -3.709 -9.934 1.00 0.00 H new ATOM 1067 N MET A 73 0.114 -2.961 -10.339 1.00 0.00 N ATOM 1068 CA MET A 73 -1.083 -3.251 -11.118 1.00 0.00 C ATOM 1069 C MET A 73 -2.194 -2.255 -10.801 1.00 0.00 C ATOM 1070 O MET A 73 -2.862 -1.748 -11.702 1.00 0.00 O ATOM 1071 CB MET A 73 -1.566 -4.676 -10.840 1.00 0.00 C ATOM 1072 CG MET A 73 -2.699 -5.123 -11.749 1.00 0.00 C ATOM 1073 SD MET A 73 -4.325 -4.714 -11.085 1.00 0.00 S ATOM 1074 CE MET A 73 -4.203 -5.410 -9.440 1.00 0.00 C ATOM 0 H MET A 73 0.311 -3.637 -9.601 1.00 0.00 H new ATOM 0 HA MET A 73 -0.829 -3.160 -12.174 1.00 0.00 H new ATOM 0 HB2 MET A 73 -0.728 -5.363 -10.953 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.895 -4.743 -9.803 1.00 0.00 H new ATOM 0 HG2 MET A 73 -2.582 -4.655 -12.726 1.00 0.00 H new ATOM 0 HG3 MET A 73 -2.634 -6.200 -11.902 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.185 -5.758 -9.119 1.00 0.00 H new ATOM 0 HE2 MET A 73 -3.506 -6.248 -9.450 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.844 -4.648 -8.748 1.00 0.00 H new ATOM 1084 N TYR A 74 -2.386 -1.980 -9.516 1.00 0.00 N ATOM 1085 CA TYR A 74 -3.417 -1.046 -9.080 1.00 0.00 C ATOM 1086 C TYR A 74 -3.298 0.282 -9.821 1.00 0.00 C ATOM 1087 O TYR A 74 -4.298 0.955 -10.078 1.00 0.00 O ATOM 1088 CB TYR A 74 -3.318 -0.811 -7.572 1.00 0.00 C ATOM 1089 CG TYR A 74 -4.090 0.398 -7.095 1.00 0.00 C ATOM 1090 CD1 TYR A 74 -3.706 1.682 -7.463 1.00 0.00 C ATOM 1091 CD2 TYR A 74 -5.205 0.257 -6.277 1.00 0.00 C ATOM 1092 CE1 TYR A 74 -4.408 2.789 -7.029 1.00 0.00 C ATOM 1093 CE2 TYR A 74 -5.914 1.359 -5.840 1.00 0.00 C ATOM 1094 CZ TYR A 74 -5.511 2.623 -6.218 1.00 0.00 C ATOM 1095 OH TYR A 74 -6.214 3.724 -5.784 1.00 0.00 O ATOM 0 H TYR A 74 -1.841 -2.391 -8.758 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.388 -1.484 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.685 -1.695 -7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.269 -0.693 -7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.844 1.816 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.522 -0.731 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.095 3.780 -7.323 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.779 1.232 -5.206 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.173 3.523 -5.790 1.00 0.00 H new ATOM 1105 N CYS A 75 -2.069 0.653 -10.163 1.00 0.00 N ATOM 1106 CA CYS A 75 -1.817 1.901 -10.875 1.00 0.00 C ATOM 1107 C CYS A 75 -2.378 1.841 -12.292 1.00 0.00 C ATOM 1108 O CYS A 75 -3.170 2.692 -12.694 1.00 0.00 O ATOM 1109 CB CYS A 75 -0.317 2.194 -10.919 1.00 0.00 C ATOM 1110 SG CYS A 75 0.185 3.277 -12.277 1.00 0.00 S ATOM 0 H CYS A 75 -1.232 0.108 -9.959 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.321 2.705 -10.338 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.019 2.651 -9.975 1.00 0.00 H new ATOM 0 HB3 CYS A 75 0.224 1.251 -11.001 1.00 0.00 H new ATOM 0 HG CYS A 75 1.470 3.467 -12.228 1.00 0.00 H new ATOM 1185 N GLY A 81 -9.544 4.019 -5.453 1.00 0.00 N ATOM 1186 CA GLY A 81 -9.400 3.726 -4.039 1.00 0.00 C ATOM 1187 C GLY A 81 -9.845 2.320 -3.690 1.00 0.00 C ATOM 1188 O GLY A 81 -10.576 2.116 -2.720 1.00 0.00 O ATOM 0 HA2 GLY A 81 -8.358 3.856 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.984 4.443 -3.461 1.00 0.00 H new ATOM 1192 N SER A 82 -9.404 1.348 -4.481 1.00 0.00 N ATOM 1193 CA SER A 82 -9.766 -0.047 -4.254 1.00 0.00 C ATOM 1194 C SER A 82 -8.717 -0.984 -4.845 1.00 0.00 C ATOM 1195 O SER A 82 -8.038 -0.642 -5.814 1.00 0.00 O ATOM 1196 CB SER A 82 -11.136 -0.346 -4.865 1.00 0.00 C ATOM 1197 OG SER A 82 -11.150 -0.059 -6.252 1.00 0.00 O ATOM 0 H SER A 82 -8.795 1.500 -5.285 1.00 0.00 H new ATOM 0 HA SER A 82 -9.812 -0.214 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.388 -1.394 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.900 0.246 -4.360 1.00 0.00 H new ATOM 0 HG SER A 82 -12.036 -0.260 -6.619 1.00 0.00 H new ATOM 1203 N LEU A 83 -8.590 -2.167 -4.254 1.00 0.00 N ATOM 1204 CA LEU A 83 -7.624 -3.155 -4.721 1.00 0.00 C ATOM 1205 C LEU A 83 -8.272 -4.530 -4.852 1.00 0.00 C ATOM 1206 O LEU A 83 -8.729 -5.107 -3.866 1.00 0.00 O ATOM 1207 CB LEU A 83 -6.436 -3.228 -3.761 1.00 0.00 C ATOM 1208 CG LEU A 83 -5.219 -4.010 -4.257 1.00 0.00 C ATOM 1209 CD1 LEU A 83 -5.622 -5.415 -4.677 1.00 0.00 C ATOM 1210 CD2 LEU A 83 -4.550 -3.278 -5.411 1.00 0.00 C ATOM 0 H LEU A 83 -9.144 -2.465 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.270 -2.845 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.119 -2.211 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.776 -3.677 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.503 -4.089 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.743 -5.956 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.056 -5.939 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.357 -5.358 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.686 -3.848 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.259 -3.168 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.225 -2.292 -5.077 1.00 0.00 H new ATOM 1222 N GLN A 84 -8.305 -5.049 -6.075 1.00 0.00 N ATOM 1223 CA GLN A 84 -8.895 -6.357 -6.334 1.00 0.00 C ATOM 1224 C GLN A 84 -7.818 -7.433 -6.418 1.00 0.00 C ATOM 1225 O GLN A 84 -6.680 -7.159 -6.801 1.00 0.00 O ATOM 1226 CB GLN A 84 -9.704 -6.326 -7.632 1.00 0.00 C ATOM 1227 CG GLN A 84 -10.625 -7.524 -7.802 1.00 0.00 C ATOM 1228 CD GLN A 84 -11.442 -7.455 -9.078 1.00 0.00 C ATOM 1229 OE1 GLN A 84 -12.367 -8.394 -9.240 1.00 0.00 O flip ATOM 1230 NE2 GLN A 84 -11.243 -6.568 -9.908 1.00 0.00 N flip ATOM 0 H GLN A 84 -7.930 -4.584 -6.902 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.560 -6.599 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.300 -5.413 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.018 -6.283 -8.478 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.030 -8.437 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.298 -7.584 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.521 -5.867 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.800 -6.534 -10.762 1.00 0.00 H new ATOM 1239 N CYS A 85 -8.184 -8.658 -6.056 1.00 0.00 N ATOM 1240 CA CYS A 85 -7.249 -9.777 -6.089 1.00 0.00 C ATOM 1241 C CYS A 85 -7.285 -10.476 -7.445 1.00 0.00 C ATOM 1242 O CYS A 85 -8.317 -10.989 -7.880 1.00 0.00 O ATOM 1243 CB CYS A 85 -7.578 -10.776 -4.979 1.00 0.00 C ATOM 1244 SG CYS A 85 -6.256 -11.986 -4.652 1.00 0.00 S ATOM 0 H CYS A 85 -9.122 -8.901 -5.736 1.00 0.00 H new ATOM 0 HA CYS A 85 -6.245 -9.384 -5.929 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -7.788 -10.227 -4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.489 -11.312 -5.246 1.00 0.00 H new ATOM 0 HG CYS A 85 -5.105 -11.465 -4.960 1.00 0.00 H new ATOM 1249 N PRO A 86 -6.132 -10.498 -8.130 1.00 0.00 N ATOM 1250 CA PRO A 86 -6.006 -11.132 -9.446 1.00 0.00 C ATOM 1251 C PRO A 86 -6.103 -12.652 -9.369 1.00 0.00 C ATOM 1252 O PRO A 86 -5.974 -13.344 -10.379 1.00 0.00 O ATOM 1253 CB PRO A 86 -4.610 -10.709 -9.911 1.00 0.00 C ATOM 1254 CG PRO A 86 -3.857 -10.442 -8.653 1.00 0.00 C ATOM 1255 CD PRO A 86 -4.864 -9.907 -7.673 1.00 0.00 C ATOM 0 HA PRO A 86 -6.806 -10.830 -10.122 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.134 -11.494 -10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.655 -9.821 -10.542 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.391 -11.353 -8.276 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.057 -9.722 -8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.627 -10.204 -6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.900 -8.818 -7.688 1.00 0.00 H new ATOM 1263 N SER A 87 -6.331 -13.166 -8.165 1.00 0.00 N ATOM 1264 CA SER A 87 -6.443 -14.605 -7.956 1.00 0.00 C ATOM 1265 C SER A 87 -7.901 -15.017 -7.784 1.00 0.00 C ATOM 1266 O SER A 87 -8.426 -15.823 -8.554 1.00 0.00 O ATOM 1267 CB SER A 87 -5.633 -15.027 -6.728 1.00 0.00 C ATOM 1268 OG SER A 87 -5.634 -16.436 -6.577 1.00 0.00 O ATOM 0 H SER A 87 -6.442 -12.607 -7.319 1.00 0.00 H new ATOM 0 HA SER A 87 -6.044 -15.108 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.608 -14.669 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.051 -14.562 -5.835 1.00 0.00 H new ATOM 0 HG SER A 87 -5.109 -16.681 -5.787 1.00 0.00 H new ATOM 1274 N CYS A 88 -8.552 -14.460 -6.768 1.00 0.00 N ATOM 1275 CA CYS A 88 -9.950 -14.768 -6.493 1.00 0.00 C ATOM 1276 C CYS A 88 -10.860 -13.639 -6.966 1.00 0.00 C ATOM 1277 O CYS A 88 -12.033 -13.575 -6.597 1.00 0.00 O ATOM 1278 CB CYS A 88 -10.155 -15.010 -4.996 1.00 0.00 C ATOM 1279 SG CYS A 88 -9.617 -13.628 -3.939 1.00 0.00 S ATOM 0 H CYS A 88 -8.133 -13.792 -6.121 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.211 -15.674 -7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -11.212 -15.204 -4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -9.610 -15.909 -4.706 1.00 0.00 H new ATOM 0 HG CYS A 88 -8.418 -13.261 -4.281 1.00 0.00 H new ATOM 1284 N LYS A 89 -10.311 -12.749 -7.786 1.00 0.00 N ATOM 1285 CA LYS A 89 -11.071 -11.621 -8.312 1.00 0.00 C ATOM 1286 C LYS A 89 -11.962 -11.014 -7.232 1.00 0.00 C ATOM 1287 O LYS A 89 -13.151 -10.780 -7.452 1.00 0.00 O ATOM 1288 CB LYS A 89 -11.925 -12.067 -9.501 1.00 0.00 C ATOM 1289 CG LYS A 89 -11.120 -12.682 -10.632 1.00 0.00 C ATOM 1290 CD LYS A 89 -10.246 -11.648 -11.321 1.00 0.00 C ATOM 1291 CE LYS A 89 -11.014 -10.899 -12.400 1.00 0.00 C ATOM 1292 NZ LYS A 89 -11.695 -9.691 -11.859 1.00 0.00 N ATOM 0 H LYS A 89 -9.342 -12.787 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.364 -10.861 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.663 -12.791 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.476 -11.208 -9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.495 -13.485 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.797 -13.131 -11.359 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.868 -10.940 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.380 -12.139 -11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.329 -10.604 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.754 -11.563 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.719 -9.766 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.515 -9.619 -10.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.328 -8.843 -12.336 1.00 0.00 H new ATOM 1306 N THR A 90 -11.379 -10.760 -6.065 1.00 0.00 N ATOM 1307 CA THR A 90 -12.119 -10.179 -4.951 1.00 0.00 C ATOM 1308 C THR A 90 -11.868 -8.679 -4.847 1.00 0.00 C ATOM 1309 O THR A 90 -10.744 -8.244 -4.598 1.00 0.00 O ATOM 1310 CB THR A 90 -11.738 -10.846 -3.616 1.00 0.00 C ATOM 1311 OG1 THR A 90 -12.124 -12.225 -3.629 1.00 0.00 O ATOM 1312 CG2 THR A 90 -12.408 -10.138 -2.448 1.00 0.00 C ATOM 0 H THR A 90 -10.396 -10.947 -5.866 1.00 0.00 H new ATOM 0 HA THR A 90 -13.177 -10.354 -5.148 1.00 0.00 H new ATOM 0 HB THR A 90 -10.657 -10.773 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.341 -12.785 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.125 -10.626 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.090 -9.096 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.490 -10.184 -2.567 1.00 0.00 H new ATOM 1320 N ILE A 91 -12.923 -7.894 -5.038 1.00 0.00 N ATOM 1321 CA ILE A 91 -12.816 -6.442 -4.964 1.00 0.00 C ATOM 1322 C ILE A 91 -12.865 -5.961 -3.517 1.00 0.00 C ATOM 1323 O ILE A 91 -13.719 -6.386 -2.739 1.00 0.00 O ATOM 1324 CB ILE A 91 -13.940 -5.753 -5.760 1.00 0.00 C ATOM 1325 CG1 ILE A 91 -13.892 -6.183 -7.228 1.00 0.00 C ATOM 1326 CG2 ILE A 91 -13.824 -4.241 -5.641 1.00 0.00 C ATOM 1327 CD1 ILE A 91 -15.240 -6.139 -7.914 1.00 0.00 C ATOM 0 H ILE A 91 -13.860 -8.239 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.855 -6.174 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.900 -6.057 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.198 -5.536 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.495 -7.196 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.625 -3.769 -6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -13.903 -3.951 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.861 -3.918 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -15.131 -6.456 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -15.931 -6.807 -7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -15.630 -5.122 -7.885 1.00 0.00 H new ATOM 1339 N TYR A 92 -11.945 -5.070 -3.165 1.00 0.00 N ATOM 1340 CA TYR A 92 -11.882 -4.531 -1.811 1.00 0.00 C ATOM 1341 C TYR A 92 -12.398 -3.096 -1.772 1.00 0.00 C ATOM 1342 O TYR A 92 -12.249 -2.344 -2.735 1.00 0.00 O ATOM 1343 CB TYR A 92 -10.446 -4.583 -1.285 1.00 0.00 C ATOM 1344 CG TYR A 92 -9.906 -5.987 -1.139 1.00 0.00 C ATOM 1345 CD1 TYR A 92 -9.884 -6.860 -2.221 1.00 0.00 C ATOM 1346 CD2 TYR A 92 -9.417 -6.442 0.079 1.00 0.00 C ATOM 1347 CE1 TYR A 92 -9.391 -8.144 -2.092 1.00 0.00 C ATOM 1348 CE2 TYR A 92 -8.922 -7.724 0.217 1.00 0.00 C ATOM 1349 CZ TYR A 92 -8.911 -8.572 -0.872 1.00 0.00 C ATOM 1350 OH TYR A 92 -8.419 -9.850 -0.738 1.00 0.00 O ATOM 0 H TYR A 92 -11.233 -4.706 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.518 -5.144 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.800 -4.023 -1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.404 -4.084 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.259 -6.529 -3.178 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.424 -5.781 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.382 -8.810 -2.943 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.546 -8.061 1.172 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.696 -10.390 -1.508 1.00 0.00 H new