USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot -159:sc= 2.23 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -178:sc= 1.12 (180deg=0) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.32 K(o=4.3,f=-9.2!) USER MOD Set 2.2: A 58 THR OG1 : rot -170:sc= -0.0481 USER MOD Set 2.3: A 62 TYR OH : rot 39:sc= 2.01 USER MOD Single : A 8 CYS SG : rot 180:sc= -1.73! USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.06 USER MOD Single : A 12 LYS NZ :NH3+ -119:sc= -0.0197 (180deg=-0.146) USER MOD Single : A 14 SER OG : rot -170:sc= -1.15 USER MOD Single : A 15 SER OG : rot -39:sc= 0.262 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.928) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 28 HIS : no HD1:sc= -2.97! C(o=-3!,f=-3.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= 1.31 (180deg=1.01) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -0.0109 (180deg=-0.116) USER MOD Single : A 37 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 39 MET CE :methyl -177:sc= -0.809 (180deg=-0.841) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 45:sc= 1.27 USER MOD Single : A 52 GLN :FLIP amide:sc= -2.57 F(o=-3.6!,f=-2.6) USER MOD Single : A 54 THR OG1 : rot 130:sc= -0.445 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0257) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 66 ASN : amide:sc= 0.991 K(o=0.99,f=-0.55) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 SER OG : rot 170:sc= -0.749 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.082 4.227 -2.149 1.00 0.00 N ATOM 79 CA SER A 7 -13.530 2.991 -1.768 1.00 0.00 C ATOM 80 C SER A 7 -12.173 3.301 -1.217 1.00 0.00 C ATOM 81 O SER A 7 -11.329 3.870 -1.918 1.00 0.00 O ATOM 82 CB SER A 7 -13.460 2.060 -2.967 1.00 0.00 C ATOM 83 OG SER A 7 -14.775 1.746 -3.435 1.00 0.00 O ATOM 0 HA SER A 7 -14.135 2.479 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.886 2.529 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.937 1.144 -2.693 1.00 0.00 H new ATOM 0 HG SER A 7 -14.746 0.920 -3.961 1.00 0.00 H new ATOM 89 N CYS A 8 -11.982 3.000 0.028 1.00 0.00 N ATOM 90 CA CYS A 8 -10.791 3.391 0.716 1.00 0.00 C ATOM 91 C CYS A 8 -10.204 2.222 1.506 1.00 0.00 C ATOM 92 O CYS A 8 -10.932 1.518 2.199 1.00 0.00 O ATOM 93 CB CYS A 8 -11.153 4.518 1.682 1.00 0.00 C ATOM 94 SG CYS A 8 -12.074 5.894 0.949 1.00 0.00 S ATOM 0 H CYS A 8 -12.647 2.476 0.597 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.046 3.718 -0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.743 4.100 2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.235 4.909 2.120 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.325 6.784 1.863 1.00 0.00 H new ATOM 100 N VAL A 9 -8.900 2.037 1.411 1.00 0.00 N ATOM 101 CA VAL A 9 -8.205 1.009 2.187 1.00 0.00 C ATOM 102 C VAL A 9 -7.429 1.703 3.279 1.00 0.00 C ATOM 103 O VAL A 9 -6.781 2.734 3.024 1.00 0.00 O ATOM 104 CB VAL A 9 -7.179 0.162 1.341 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.408 -0.814 2.217 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.850 -0.608 0.233 1.00 0.00 C ATOM 0 H VAL A 9 -8.292 2.585 0.802 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.963 0.322 2.564 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.490 0.882 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.710 -1.382 1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.856 -0.262 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.105 -1.499 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.102 -1.175 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.583 -1.293 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.351 0.087 -0.441 1.00 0.00 H new ATOM 116 N HIS A 10 -7.520 1.177 4.476 1.00 0.00 N ATOM 117 CA HIS A 10 -6.783 1.699 5.601 1.00 0.00 C ATOM 118 C HIS A 10 -5.398 1.111 5.605 1.00 0.00 C ATOM 119 O HIS A 10 -5.233 -0.106 5.603 1.00 0.00 O ATOM 120 CB HIS A 10 -7.488 1.403 6.931 1.00 0.00 C ATOM 121 CG HIS A 10 -8.751 2.179 7.149 1.00 0.00 C ATOM 122 ND1 HIS A 10 -8.872 3.191 8.071 1.00 0.00 N ATOM 123 CD2 HIS A 10 -9.967 2.066 6.559 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.120 3.652 8.022 1.00 0.00 C ATOM 125 NE2 HIS A 10 -10.831 3.003 7.117 1.00 0.00 N ATOM 0 H HIS A 10 -8.108 0.374 4.698 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.726 2.783 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.718 0.338 6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.799 1.616 7.748 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.223 1.362 5.781 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.501 4.451 8.641 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.810 3.157 6.877 1.00 0.00 H new ATOM 133 N TYR A 11 -4.418 1.953 5.580 1.00 0.00 N ATOM 134 CA TYR A 11 -3.054 1.508 5.559 1.00 0.00 C ATOM 135 C TYR A 11 -2.223 2.337 6.512 1.00 0.00 C ATOM 136 O TYR A 11 -2.465 3.534 6.655 1.00 0.00 O ATOM 137 CB TYR A 11 -2.474 1.588 4.129 1.00 0.00 C ATOM 138 CG TYR A 11 -2.360 2.999 3.549 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.402 3.582 2.853 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.195 3.735 3.705 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.274 4.853 2.332 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.058 4.994 3.191 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.100 5.549 2.504 1.00 0.00 C ATOM 144 OH TYR A 11 -1.980 6.810 1.995 1.00 0.00 O ATOM 0 H TYR A 11 -4.534 2.966 5.573 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.025 0.467 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.484 1.132 4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.100 0.990 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.325 3.038 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.370 3.300 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.094 5.301 1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.138 5.543 3.326 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.090 7.164 2.204 1.00 0.00 H new ATOM 154 N LYS A 12 -1.287 1.726 7.192 1.00 0.00 N ATOM 155 CA LYS A 12 -0.387 2.492 8.023 1.00 0.00 C ATOM 156 C LYS A 12 1.052 2.226 7.622 1.00 0.00 C ATOM 157 O LYS A 12 1.523 1.091 7.626 1.00 0.00 O ATOM 158 CB LYS A 12 -0.619 2.307 9.546 1.00 0.00 C ATOM 159 CG LYS A 12 -0.220 0.970 10.129 1.00 0.00 C ATOM 160 CD LYS A 12 -0.444 0.951 11.639 1.00 0.00 C ATOM 161 CE LYS A 12 0.003 -0.362 12.277 1.00 0.00 C ATOM 162 NZ LYS A 12 1.457 -0.601 12.157 1.00 0.00 N ATOM 0 H LYS A 12 -1.127 0.719 7.190 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.611 3.543 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.069 3.087 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.677 2.468 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.801 0.175 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.829 0.770 9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.101 1.777 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.501 1.112 11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.273 -0.359 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.534 -1.187 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.622 -1.474 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.901 0.200 11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.872 -0.697 13.106 1.00 0.00 H new ATOM 176 N PHE A 13 1.678 3.258 7.162 1.00 0.00 N ATOM 177 CA PHE A 13 3.072 3.259 6.736 1.00 0.00 C ATOM 178 C PHE A 13 4.009 3.081 7.917 1.00 0.00 C ATOM 179 O PHE A 13 3.606 3.234 9.076 1.00 0.00 O ATOM 180 CB PHE A 13 3.371 4.589 6.034 1.00 0.00 C ATOM 181 CG PHE A 13 4.221 4.472 4.814 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.597 4.391 4.896 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.629 4.440 3.578 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.359 4.279 3.757 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.376 4.332 2.444 1.00 0.00 C ATOM 186 CZ PHE A 13 5.740 4.248 2.525 1.00 0.00 C ATOM 0 H PHE A 13 1.230 4.169 7.061 1.00 0.00 H new ATOM 0 HA PHE A 13 3.233 2.424 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.427 5.059 5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.865 5.255 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.078 4.416 5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.553 4.501 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.435 4.216 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.891 4.313 1.479 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.331 4.158 1.625 1.00 0.00 H new ATOM 196 N SER A 14 5.253 2.775 7.614 1.00 0.00 N ATOM 197 CA SER A 14 6.301 2.629 8.593 1.00 0.00 C ATOM 198 C SER A 14 6.448 3.912 9.441 1.00 0.00 C ATOM 199 O SER A 14 6.657 3.847 10.643 1.00 0.00 O ATOM 200 CB SER A 14 7.607 2.330 7.856 1.00 0.00 C ATOM 201 OG SER A 14 7.444 1.224 6.971 1.00 0.00 O ATOM 0 H SER A 14 5.567 2.618 6.656 1.00 0.00 H new ATOM 0 HA SER A 14 6.055 1.813 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.923 3.209 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.396 2.113 8.576 1.00 0.00 H new ATOM 0 HG SER A 14 8.320 0.947 6.629 1.00 0.00 H new ATOM 207 N SER A 15 6.281 5.060 8.825 1.00 0.00 N ATOM 208 CA SER A 15 6.400 6.295 9.553 1.00 0.00 C ATOM 209 C SER A 15 5.011 6.921 9.760 1.00 0.00 C ATOM 210 O SER A 15 4.889 8.114 10.054 1.00 0.00 O ATOM 211 CB SER A 15 7.357 7.255 8.819 1.00 0.00 C ATOM 212 OG SER A 15 7.711 8.379 9.626 1.00 0.00 O ATOM 0 H SER A 15 6.065 5.161 7.833 1.00 0.00 H new ATOM 0 HA SER A 15 6.824 6.096 10.537 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.260 6.717 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.887 7.603 7.899 1.00 0.00 H new ATOM 0 HG SER A 15 6.929 8.674 10.137 1.00 0.00 H new ATOM 218 N LYS A 16 3.976 6.118 9.641 1.00 0.00 N ATOM 219 CA LYS A 16 2.634 6.599 9.866 1.00 0.00 C ATOM 220 C LYS A 16 2.250 6.179 11.267 1.00 0.00 C ATOM 221 O LYS A 16 2.563 5.059 11.688 1.00 0.00 O ATOM 222 CB LYS A 16 1.656 5.992 8.861 1.00 0.00 C ATOM 223 CG LYS A 16 0.707 6.978 8.178 1.00 0.00 C ATOM 224 CD LYS A 16 1.450 7.942 7.250 1.00 0.00 C ATOM 225 CE LYS A 16 0.475 8.850 6.508 1.00 0.00 C ATOM 226 NZ LYS A 16 1.155 9.797 5.592 1.00 0.00 N ATOM 0 H LYS A 16 4.040 5.131 9.390 1.00 0.00 H new ATOM 0 HA LYS A 16 2.595 7.682 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.229 5.476 8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.059 5.238 9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.038 6.426 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.169 7.547 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.146 8.548 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.043 7.376 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.222 8.237 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.114 9.412 7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.486 10.537 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.962 10.235 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.495 9.285 4.753 1.00 0.00 H new ATOM 240 N LEU A 17 1.609 7.051 11.984 1.00 0.00 N ATOM 241 CA LEU A 17 1.260 6.776 13.364 1.00 0.00 C ATOM 242 C LEU A 17 -0.110 6.133 13.426 1.00 0.00 C ATOM 243 O LEU A 17 -0.387 5.271 14.275 1.00 0.00 O ATOM 244 CB LEU A 17 1.291 8.075 14.175 1.00 0.00 C ATOM 245 CG LEU A 17 2.601 8.870 14.088 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.525 10.140 14.915 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.787 8.020 14.519 1.00 0.00 C ATOM 0 H LEU A 17 1.311 7.965 11.644 1.00 0.00 H new ATOM 0 HA LEU A 17 1.985 6.085 13.794 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.474 8.714 13.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.099 7.836 15.221 1.00 0.00 H new ATOM 0 HG LEU A 17 2.747 9.152 13.045 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.467 10.683 14.835 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.712 10.766 14.547 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.341 9.884 15.959 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.702 8.609 14.447 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.645 7.694 15.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.865 7.148 13.870 1.00 0.00 H new ATOM 259 N ASN A 18 -0.941 6.506 12.497 1.00 0.00 N ATOM 260 CA ASN A 18 -2.293 6.008 12.404 1.00 0.00 C ATOM 261 C ASN A 18 -2.524 5.547 10.994 1.00 0.00 C ATOM 262 O ASN A 18 -1.629 5.674 10.149 1.00 0.00 O ATOM 263 CB ASN A 18 -3.330 7.088 12.787 1.00 0.00 C ATOM 264 CG ASN A 18 -3.264 7.515 14.246 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.891 6.906 15.118 1.00 0.00 O ATOM 266 ND2 ASN A 18 -2.543 8.575 14.525 1.00 0.00 N ATOM 0 H ASN A 18 -0.699 7.176 11.767 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.418 5.183 13.106 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.179 7.963 12.155 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.330 6.710 12.574 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.489 8.917 15.484 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.036 9.057 13.783 1.00 0.00 H new ATOM 273 N TYR A 19 -3.684 5.004 10.720 1.00 0.00 N ATOM 274 CA TYR A 19 -3.977 4.548 9.383 1.00 0.00 C ATOM 275 C TYR A 19 -4.454 5.685 8.515 1.00 0.00 C ATOM 276 O TYR A 19 -5.107 6.630 8.992 1.00 0.00 O ATOM 277 CB TYR A 19 -5.002 3.420 9.354 1.00 0.00 C ATOM 278 CG TYR A 19 -4.546 2.101 9.962 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.540 1.908 11.333 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.145 1.045 9.154 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.142 0.709 11.885 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.744 -0.161 9.696 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.746 -0.325 11.063 1.00 0.00 C ATOM 284 OH TYR A 19 -3.343 -1.526 11.618 1.00 0.00 O ATOM 0 H TYR A 19 -4.435 4.867 11.397 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.041 4.155 8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.896 3.752 9.881 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.290 3.242 8.318 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.853 2.712 11.982 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.147 1.169 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.140 0.580 12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.431 -0.969 9.052 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.097 -2.150 10.904 1.00 0.00 H new ATOM 294 N ASP A 20 -4.116 5.600 7.274 1.00 0.00 N ATOM 295 CA ASP A 20 -4.512 6.543 6.265 1.00 0.00 C ATOM 296 C ASP A 20 -5.402 5.775 5.290 1.00 0.00 C ATOM 297 O ASP A 20 -5.575 4.566 5.461 1.00 0.00 O ATOM 298 CB ASP A 20 -3.270 7.114 5.573 1.00 0.00 C ATOM 299 CG ASP A 20 -3.554 8.361 4.738 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.071 8.241 3.606 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.275 9.487 5.192 1.00 0.00 O ATOM 0 H ASP A 20 -3.533 4.845 6.912 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.055 7.391 6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.522 7.355 6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.838 6.347 4.930 1.00 0.00 H new ATOM 306 N THR A 21 -5.923 6.414 4.281 1.00 0.00 N ATOM 307 CA THR A 21 -6.883 5.808 3.420 1.00 0.00 C ATOM 308 C THR A 21 -6.582 6.122 1.990 1.00 0.00 C ATOM 309 O THR A 21 -6.496 7.297 1.598 1.00 0.00 O ATOM 310 CB THR A 21 -8.312 6.260 3.768 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.307 7.643 4.194 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.938 5.369 4.830 1.00 0.00 C ATOM 0 H THR A 21 -5.688 7.376 4.036 1.00 0.00 H new ATOM 0 HA THR A 21 -6.821 4.730 3.567 1.00 0.00 H new ATOM 0 HB THR A 21 -8.922 6.171 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.221 7.922 4.411 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.947 5.719 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.981 4.343 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.335 5.406 5.737 1.00 0.00 H new ATOM 320 N VAL A 22 -6.391 5.105 1.216 1.00 0.00 N ATOM 321 CA VAL A 22 -6.135 5.286 -0.173 1.00 0.00 C ATOM 322 C VAL A 22 -7.458 5.137 -0.915 1.00 0.00 C ATOM 323 O VAL A 22 -8.249 4.243 -0.601 1.00 0.00 O ATOM 324 CB VAL A 22 -5.053 4.299 -0.696 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.533 2.860 -0.751 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.477 4.771 -2.003 1.00 0.00 C ATOM 0 H VAL A 22 -6.408 4.133 1.526 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.727 6.281 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.244 4.298 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.731 2.223 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.820 2.534 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.393 2.788 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.723 4.062 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.271 4.843 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.018 5.750 -1.866 1.00 0.00 H new ATOM 336 N THR A 23 -7.719 6.023 -1.826 1.00 0.00 N ATOM 337 CA THR A 23 -8.965 6.042 -2.519 1.00 0.00 C ATOM 338 C THR A 23 -8.834 5.459 -3.916 1.00 0.00 C ATOM 339 O THR A 23 -7.956 5.858 -4.699 1.00 0.00 O ATOM 340 CB THR A 23 -9.539 7.472 -2.549 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.477 8.413 -2.819 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.186 7.817 -1.223 1.00 0.00 C ATOM 0 H THR A 23 -7.069 6.756 -2.109 1.00 0.00 H new ATOM 0 HA THR A 23 -9.667 5.408 -1.978 1.00 0.00 H new ATOM 0 HB THR A 23 -10.294 7.526 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.843 9.322 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.585 8.831 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.996 7.117 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.443 7.752 -0.428 1.00 0.00 H new ATOM 350 N PHE A 24 -9.668 4.503 -4.201 1.00 0.00 N ATOM 351 CA PHE A 24 -9.674 3.826 -5.465 1.00 0.00 C ATOM 352 C PHE A 24 -11.113 3.562 -5.866 1.00 0.00 C ATOM 353 O PHE A 24 -12.033 3.822 -5.086 1.00 0.00 O ATOM 354 CB PHE A 24 -8.893 2.496 -5.353 1.00 0.00 C ATOM 355 CG PHE A 24 -9.507 1.497 -4.393 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.359 1.635 -3.021 1.00 0.00 C ATOM 357 CD2 PHE A 24 -10.241 0.425 -4.868 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.933 0.730 -2.162 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.806 -0.474 -4.006 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.651 -0.323 -2.657 1.00 0.00 C ATOM 0 H PHE A 24 -10.377 4.165 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.191 4.443 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.828 2.041 -6.341 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.873 2.712 -5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.787 2.461 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.369 0.296 -5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.817 0.850 -1.095 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.376 -1.306 -4.393 1.00 0.00 H new ATOM 0 HZ PHE A 24 -11.097 -1.037 -1.980 1.00 0.00 H new ATOM 370 N ASP A 25 -11.313 3.093 -7.059 1.00 0.00 N ATOM 371 CA ASP A 25 -12.607 2.706 -7.518 1.00 0.00 C ATOM 372 C ASP A 25 -12.656 1.206 -7.572 1.00 0.00 C ATOM 373 O ASP A 25 -11.678 0.566 -7.984 1.00 0.00 O ATOM 374 CB ASP A 25 -12.904 3.290 -8.898 1.00 0.00 C ATOM 375 CG ASP A 25 -13.088 4.790 -8.903 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.232 5.268 -8.711 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.092 5.530 -9.112 1.00 0.00 O ATOM 0 H ASP A 25 -10.572 2.967 -7.748 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.362 3.089 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.089 3.032 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.806 2.822 -9.293 1.00 0.00 H new ATOM 382 N GLY A 26 -13.743 0.642 -7.131 1.00 0.00 N ATOM 383 CA GLY A 26 -13.881 -0.780 -7.125 1.00 0.00 C ATOM 384 C GLY A 26 -14.003 -1.305 -5.727 1.00 0.00 C ATOM 385 O GLY A 26 -14.215 -0.536 -4.785 1.00 0.00 O ATOM 0 H GLY A 26 -14.549 1.151 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.761 -1.065 -7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.019 -1.234 -7.613 1.00 0.00 H new ATOM 389 N LEU A 27 -13.873 -2.592 -5.573 1.00 0.00 N ATOM 390 CA LEU A 27 -13.972 -3.207 -4.267 1.00 0.00 C ATOM 391 C LEU A 27 -12.568 -3.429 -3.730 1.00 0.00 C ATOM 392 O LEU A 27 -12.315 -3.335 -2.509 1.00 0.00 O ATOM 393 CB LEU A 27 -14.782 -4.538 -4.371 1.00 0.00 C ATOM 394 CG LEU A 27 -15.233 -5.254 -3.059 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.086 -5.935 -2.326 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.950 -4.278 -2.132 1.00 0.00 C ATOM 0 H LEU A 27 -13.697 -3.245 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.507 -2.560 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.677 -4.333 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.181 -5.245 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.925 -6.041 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.465 -6.414 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.635 -6.687 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.335 -5.192 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.256 -4.797 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.277 -3.460 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.830 -3.878 -2.635 1.00 0.00 H new ATOM 408 N HIS A 28 -11.650 -3.671 -4.636 1.00 0.00 N ATOM 409 CA HIS A 28 -10.279 -3.945 -4.284 1.00 0.00 C ATOM 410 C HIS A 28 -9.289 -3.380 -5.261 1.00 0.00 C ATOM 411 O HIS A 28 -9.552 -3.292 -6.462 1.00 0.00 O ATOM 412 CB HIS A 28 -10.011 -5.429 -3.994 1.00 0.00 C ATOM 413 CG HIS A 28 -10.758 -6.426 -4.822 1.00 0.00 C ATOM 414 ND1 HIS A 28 -11.392 -7.518 -4.270 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.924 -6.528 -6.157 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.914 -8.233 -5.260 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.657 -7.676 -6.436 1.00 0.00 N ATOM 0 H HIS A 28 -11.834 -3.683 -5.639 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.123 -3.413 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.944 -5.613 -4.123 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.243 -5.617 -2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.548 -5.830 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.474 -9.147 -5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.939 -8.019 -7.354 1.00 0.00 H new ATOM 425 N ILE A 29 -8.160 -3.009 -4.731 1.00 0.00 N ATOM 426 CA ILE A 29 -7.116 -2.392 -5.479 1.00 0.00 C ATOM 427 C ILE A 29 -5.901 -3.303 -5.588 1.00 0.00 C ATOM 428 O ILE A 29 -5.389 -3.798 -4.587 1.00 0.00 O ATOM 429 CB ILE A 29 -6.735 -0.995 -4.876 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.541 -0.375 -5.596 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.476 -1.068 -3.371 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.244 1.049 -5.166 1.00 0.00 C ATOM 0 H ILE A 29 -7.939 -3.132 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.488 -2.222 -6.489 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.598 -0.347 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.660 -0.991 -5.417 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.727 -0.390 -6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.216 -0.077 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.374 -1.422 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.654 -1.757 -3.176 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.383 1.424 -5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.110 1.679 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.025 1.069 -4.098 1.00 0.00 H new ATOM 444 N SER A 30 -5.497 -3.568 -6.803 1.00 0.00 N ATOM 445 CA SER A 30 -4.325 -4.355 -7.077 1.00 0.00 C ATOM 446 C SER A 30 -3.078 -3.637 -6.550 1.00 0.00 C ATOM 447 O SER A 30 -2.981 -2.408 -6.626 1.00 0.00 O ATOM 448 CB SER A 30 -4.215 -4.571 -8.571 1.00 0.00 C ATOM 449 OG SER A 30 -5.443 -5.088 -9.090 1.00 0.00 O ATOM 0 H SER A 30 -5.979 -3.239 -7.640 1.00 0.00 H new ATOM 0 HA SER A 30 -4.404 -5.320 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.971 -3.630 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.401 -5.264 -8.786 1.00 0.00 H new ATOM 0 HG SER A 30 -5.359 -5.221 -10.057 1.00 0.00 H new ATOM 455 N LEU A 31 -2.146 -4.409 -6.043 1.00 0.00 N ATOM 456 CA LEU A 31 -0.937 -3.933 -5.416 1.00 0.00 C ATOM 457 C LEU A 31 -0.147 -3.003 -6.311 1.00 0.00 C ATOM 458 O LEU A 31 0.393 -2.013 -5.841 1.00 0.00 O ATOM 459 CB LEU A 31 -0.066 -5.105 -4.988 1.00 0.00 C ATOM 460 CG LEU A 31 1.180 -4.733 -4.218 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.819 -4.093 -2.904 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.062 -5.926 -3.999 1.00 0.00 C ATOM 0 H LEU A 31 -2.213 -5.427 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.239 -3.361 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.666 -5.778 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.229 -5.662 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 31 1.738 -4.011 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.729 -3.832 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.235 -3.191 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.231 -4.792 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.950 -5.625 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.518 -6.682 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.361 -6.339 -4.962 1.00 0.00 H new ATOM 474 N CYS A 32 -0.064 -3.336 -7.588 1.00 0.00 N ATOM 475 CA CYS A 32 0.607 -2.491 -8.559 1.00 0.00 C ATOM 476 C CYS A 32 0.042 -1.052 -8.501 1.00 0.00 C ATOM 477 O CYS A 32 0.789 -0.099 -8.400 1.00 0.00 O ATOM 478 CB CYS A 32 0.437 -3.071 -9.973 1.00 0.00 C ATOM 479 SG CYS A 32 1.448 -2.275 -11.246 1.00 0.00 S ATOM 0 H CYS A 32 -0.457 -4.193 -7.978 1.00 0.00 H new ATOM 0 HA CYS A 32 1.669 -2.458 -8.318 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.681 -4.133 -9.947 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.612 -2.992 -10.259 1.00 0.00 H new ATOM 0 HG CYS A 32 1.227 -2.843 -12.394 1.00 0.00 H new ATOM 485 N ASP A 33 -1.271 -0.924 -8.462 1.00 0.00 N ATOM 486 CA ASP A 33 -1.911 0.400 -8.419 1.00 0.00 C ATOM 487 C ASP A 33 -1.761 1.002 -7.043 1.00 0.00 C ATOM 488 O ASP A 33 -1.472 2.193 -6.887 1.00 0.00 O ATOM 489 CB ASP A 33 -3.390 0.300 -8.760 1.00 0.00 C ATOM 490 CG ASP A 33 -4.026 1.659 -8.968 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.769 2.296 -10.017 1.00 0.00 O ATOM 492 OD2 ASP A 33 -4.829 2.089 -8.130 1.00 0.00 O ATOM 0 H ASP A 33 -1.922 -1.709 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.420 1.035 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.513 -0.298 -9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.911 -0.223 -7.958 1.00 0.00 H new ATOM 497 N LEU A 34 -1.908 0.142 -6.052 1.00 0.00 N ATOM 498 CA LEU A 34 -1.859 0.512 -4.644 1.00 0.00 C ATOM 499 C LEU A 34 -0.520 1.157 -4.314 1.00 0.00 C ATOM 500 O LEU A 34 -0.469 2.237 -3.722 1.00 0.00 O ATOM 501 CB LEU A 34 -2.121 -0.784 -3.797 1.00 0.00 C ATOM 502 CG LEU A 34 -2.126 -0.740 -2.240 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.742 -0.549 -1.661 1.00 0.00 C ATOM 504 CD2 LEU A 34 -3.076 0.312 -1.712 1.00 0.00 C ATOM 0 H LEU A 34 -2.068 -0.854 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.624 1.251 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.089 -1.178 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.369 -1.516 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.483 -1.716 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.803 -0.525 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.101 -1.374 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.323 0.391 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.051 0.311 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.775 1.292 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.088 0.092 -2.051 1.00 0.00 H new ATOM 516 N LYS A 35 0.541 0.534 -4.756 1.00 0.00 N ATOM 517 CA LYS A 35 1.859 1.021 -4.477 1.00 0.00 C ATOM 518 C LYS A 35 2.143 2.281 -5.235 1.00 0.00 C ATOM 519 O LYS A 35 2.619 3.228 -4.667 1.00 0.00 O ATOM 520 CB LYS A 35 2.926 0.000 -4.796 1.00 0.00 C ATOM 521 CG LYS A 35 2.836 -1.283 -4.006 1.00 0.00 C ATOM 522 CD LYS A 35 3.957 -2.236 -4.384 1.00 0.00 C ATOM 523 CE LYS A 35 3.903 -2.652 -5.853 1.00 0.00 C ATOM 524 NZ LYS A 35 5.041 -3.506 -6.222 1.00 0.00 N ATOM 0 H LYS A 35 0.513 -0.319 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 35 1.887 1.226 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.872 -0.240 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.903 0.450 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.886 -1.062 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.873 -1.759 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.917 -1.762 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.901 -3.125 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.972 -3.185 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.897 -1.762 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.746 -4.180 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.815 -2.915 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.368 -4.029 -5.385 1.00 0.00 H new ATOM 538 N LYS A 36 1.794 2.309 -6.504 1.00 0.00 N ATOM 539 CA LYS A 36 2.104 3.455 -7.355 1.00 0.00 C ATOM 540 C LYS A 36 1.442 4.726 -6.849 1.00 0.00 C ATOM 541 O LYS A 36 2.058 5.801 -6.873 1.00 0.00 O ATOM 542 CB LYS A 36 1.752 3.172 -8.825 1.00 0.00 C ATOM 543 CG LYS A 36 2.841 2.435 -9.639 1.00 0.00 C ATOM 544 CD LYS A 36 3.407 1.207 -8.924 1.00 0.00 C ATOM 545 CE LYS A 36 4.379 0.424 -9.790 1.00 0.00 C ATOM 546 NZ LYS A 36 5.478 1.260 -10.299 1.00 0.00 N ATOM 0 H LYS A 36 1.295 1.555 -6.976 1.00 0.00 H new ATOM 0 HA LYS A 36 3.181 3.617 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.838 2.579 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.534 4.120 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.422 2.127 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.654 3.128 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.912 1.523 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.586 0.555 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.793 -0.402 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.841 -0.014 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.192 0.656 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.105 1.938 -10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.915 1.778 -9.510 1.00 0.00 H new ATOM 560 N GLN A 37 0.223 4.602 -6.344 1.00 0.00 N ATOM 561 CA GLN A 37 -0.450 5.739 -5.743 1.00 0.00 C ATOM 562 C GLN A 37 0.278 6.221 -4.491 1.00 0.00 C ATOM 563 O GLN A 37 0.521 7.421 -4.323 1.00 0.00 O ATOM 564 CB GLN A 37 -1.912 5.441 -5.406 1.00 0.00 C ATOM 565 CG GLN A 37 -2.835 5.362 -6.604 1.00 0.00 C ATOM 566 CD GLN A 37 -4.277 5.370 -6.186 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.871 6.443 -6.000 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.880 4.226 -6.113 1.00 0.00 N ATOM 0 H GLN A 37 -0.314 3.735 -6.339 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.432 6.531 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.960 4.496 -4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.280 6.214 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.643 6.204 -7.269 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.623 4.454 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.359 3.364 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.876 4.187 -5.896 1.00 0.00 H new ATOM 577 N ILE A 38 0.664 5.287 -3.650 1.00 0.00 N ATOM 578 CA ILE A 38 1.301 5.611 -2.379 1.00 0.00 C ATOM 579 C ILE A 38 2.757 6.087 -2.566 1.00 0.00 C ATOM 580 O ILE A 38 3.174 7.066 -1.950 1.00 0.00 O ATOM 581 CB ILE A 38 1.235 4.409 -1.396 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.230 4.044 -1.101 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.970 4.725 -0.098 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.400 2.821 -0.224 1.00 0.00 C ATOM 0 H ILE A 38 0.550 4.288 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 38 0.741 6.439 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 38 1.725 3.557 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.714 4.893 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.748 3.875 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.909 3.868 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.016 4.942 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.511 5.592 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.462 2.632 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.053 1.958 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.087 2.991 0.736 1.00 0.00 H new ATOM 596 N MET A 39 3.497 5.430 -3.454 1.00 0.00 N ATOM 597 CA MET A 39 4.910 5.764 -3.704 1.00 0.00 C ATOM 598 C MET A 39 5.037 7.175 -4.234 1.00 0.00 C ATOM 599 O MET A 39 5.952 7.903 -3.864 1.00 0.00 O ATOM 600 CB MET A 39 5.591 4.751 -4.652 1.00 0.00 C ATOM 601 CG MET A 39 5.547 3.316 -4.137 1.00 0.00 C ATOM 602 SD MET A 39 6.345 2.121 -5.222 1.00 0.00 S ATOM 603 CE MET A 39 8.035 2.641 -5.062 1.00 0.00 C ATOM 0 H MET A 39 3.146 4.657 -4.020 1.00 0.00 H new ATOM 0 HA MET A 39 5.432 5.703 -2.749 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.106 4.794 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.630 5.045 -4.800 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.025 3.278 -3.158 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.506 3.024 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.665 2.037 -5.715 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.121 3.690 -5.344 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.358 2.515 -4.029 1.00 0.00 H new ATOM 613 N GLY A 40 4.096 7.570 -5.066 1.00 0.00 N ATOM 614 CA GLY A 40 4.086 8.921 -5.567 1.00 0.00 C ATOM 615 C GLY A 40 3.649 9.911 -4.506 1.00 0.00 C ATOM 616 O GLY A 40 4.256 10.976 -4.340 1.00 0.00 O ATOM 0 H GLY A 40 3.337 6.979 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.082 9.185 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.415 8.986 -6.424 1.00 0.00 H new ATOM 620 N ARG A 41 2.624 9.535 -3.759 1.00 0.00 N ATOM 621 CA ARG A 41 2.042 10.393 -2.737 1.00 0.00 C ATOM 622 C ARG A 41 3.011 10.685 -1.600 1.00 0.00 C ATOM 623 O ARG A 41 3.200 11.841 -1.225 1.00 0.00 O ATOM 624 CB ARG A 41 0.743 9.789 -2.178 1.00 0.00 C ATOM 625 CG ARG A 41 0.176 10.580 -1.006 1.00 0.00 C ATOM 626 CD ARG A 41 -1.099 9.993 -0.454 1.00 0.00 C ATOM 627 NE ARG A 41 -1.488 10.687 0.777 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.377 10.244 1.654 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.242 9.299 1.312 1.00 0.00 N ATOM 630 NH2 ARG A 41 -2.444 10.785 2.861 1.00 0.00 N ATOM 0 H ARG A 41 2.171 8.625 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 41 1.812 11.340 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.002 9.743 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.933 8.764 -1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.921 10.625 -0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.012 11.605 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.895 10.076 -1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.961 8.931 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.039 11.581 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.225 8.909 0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.924 8.962 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.811 11.543 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.129 10.444 3.536 1.00 0.00 H new ATOM 644 N GLU A 42 3.648 9.655 -1.094 1.00 0.00 N ATOM 645 CA GLU A 42 4.529 9.786 0.073 1.00 0.00 C ATOM 646 C GLU A 42 5.942 10.112 -0.336 1.00 0.00 C ATOM 647 O GLU A 42 6.854 10.084 0.488 1.00 0.00 O ATOM 648 CB GLU A 42 4.507 8.511 0.909 1.00 0.00 C ATOM 649 CG GLU A 42 3.137 8.141 1.460 1.00 0.00 C ATOM 650 CD GLU A 42 2.664 9.108 2.518 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.293 10.248 2.186 1.00 0.00 O ATOM 652 OE2 GLU A 42 2.663 8.745 3.713 1.00 0.00 O ATOM 0 H GLU A 42 3.581 8.707 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 42 4.152 10.612 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.874 7.686 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.201 8.626 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.414 8.117 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.177 7.136 1.881 1.00 0.00 H new ATOM 659 N LYS A 43 6.102 10.447 -1.601 1.00 0.00 N ATOM 660 CA LYS A 43 7.377 10.823 -2.185 1.00 0.00 C ATOM 661 C LYS A 43 8.430 9.741 -1.954 1.00 0.00 C ATOM 662 O LYS A 43 9.411 9.944 -1.226 1.00 0.00 O ATOM 663 CB LYS A 43 7.902 12.202 -1.684 1.00 0.00 C ATOM 664 CG LYS A 43 6.936 13.383 -1.873 1.00 0.00 C ATOM 665 CD LYS A 43 5.888 13.493 -0.769 1.00 0.00 C ATOM 666 CE LYS A 43 6.510 13.863 0.569 1.00 0.00 C ATOM 667 NZ LYS A 43 5.512 13.937 1.657 1.00 0.00 N ATOM 0 H LYS A 43 5.331 10.466 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 43 7.196 10.924 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.142 12.117 -0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.832 12.429 -2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.510 14.309 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.431 13.280 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.147 14.244 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.360 12.544 -0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.271 13.127 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.015 14.825 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.987 14.192 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.799 14.658 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.047 13.013 1.765 1.00 0.00 H new ATOM 681 N LEU A 44 8.186 8.575 -2.486 1.00 0.00 N ATOM 682 CA LEU A 44 9.130 7.500 -2.367 1.00 0.00 C ATOM 683 C LEU A 44 10.064 7.495 -3.523 1.00 0.00 C ATOM 684 O LEU A 44 9.680 7.837 -4.639 1.00 0.00 O ATOM 685 CB LEU A 44 8.477 6.118 -2.252 1.00 0.00 C ATOM 686 CG LEU A 44 8.138 5.624 -0.847 1.00 0.00 C ATOM 687 CD1 LEU A 44 7.080 6.475 -0.192 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.712 4.173 -0.894 1.00 0.00 C ATOM 0 H LEU A 44 7.340 8.345 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 44 9.668 7.685 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.558 6.128 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.142 5.390 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 44 9.037 5.708 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.869 6.089 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.435 7.503 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.170 6.449 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.473 3.831 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.832 4.072 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.524 3.568 -1.299 1.00 0.00 H new ATOM 700 N LYS A 45 11.273 7.118 -3.273 1.00 0.00 N ATOM 701 CA LYS A 45 12.233 6.989 -4.317 1.00 0.00 C ATOM 702 C LYS A 45 12.259 5.532 -4.775 1.00 0.00 C ATOM 703 O LYS A 45 12.826 4.651 -4.119 1.00 0.00 O ATOM 704 CB LYS A 45 13.647 7.529 -3.929 1.00 0.00 C ATOM 705 CG LYS A 45 14.282 6.934 -2.660 1.00 0.00 C ATOM 706 CD LYS A 45 13.745 7.506 -1.355 1.00 0.00 C ATOM 707 CE LYS A 45 14.102 8.975 -1.172 1.00 0.00 C ATOM 708 NZ LYS A 45 13.544 9.516 0.075 1.00 0.00 N ATOM 0 H LYS A 45 11.623 6.891 -2.342 1.00 0.00 H new ATOM 0 HA LYS A 45 11.930 7.622 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.323 7.350 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.577 8.609 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.123 5.856 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.359 7.098 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.661 7.393 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.144 6.932 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.186 9.088 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.726 9.550 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.807 10.518 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.508 9.430 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.922 8.983 0.884 1.00 0.00 H new ATOM 722 N ALA A 46 11.619 5.286 -5.886 1.00 0.00 N ATOM 723 CA ALA A 46 11.451 3.949 -6.428 1.00 0.00 C ATOM 724 C ALA A 46 12.764 3.395 -7.012 1.00 0.00 C ATOM 725 O ALA A 46 12.861 2.213 -7.369 1.00 0.00 O ATOM 726 CB ALA A 46 10.320 3.952 -7.457 1.00 0.00 C ATOM 0 H ALA A 46 11.190 6.015 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 46 11.178 3.276 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.195 2.948 -7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.393 4.268 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.565 4.642 -8.264 1.00 0.00 H new ATOM 732 N ALA A 47 13.765 4.252 -7.095 1.00 0.00 N ATOM 733 CA ALA A 47 15.092 3.871 -7.555 1.00 0.00 C ATOM 734 C ALA A 47 15.967 3.423 -6.386 1.00 0.00 C ATOM 735 O ALA A 47 17.128 3.033 -6.572 1.00 0.00 O ATOM 736 CB ALA A 47 15.745 5.035 -8.264 1.00 0.00 C ATOM 0 H ALA A 47 13.682 5.237 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 47 14.987 3.036 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.738 4.742 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.138 5.326 -9.121 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.831 5.877 -7.578 1.00 0.00 H new ATOM 742 N ASP A 48 15.417 3.485 -5.195 1.00 0.00 N ATOM 743 CA ASP A 48 16.140 3.099 -3.986 1.00 0.00 C ATOM 744 C ASP A 48 15.318 2.120 -3.165 1.00 0.00 C ATOM 745 O ASP A 48 15.844 1.148 -2.598 1.00 0.00 O ATOM 746 CB ASP A 48 16.426 4.348 -3.169 1.00 0.00 C ATOM 747 CG ASP A 48 17.082 4.100 -1.832 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.317 4.007 -1.768 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.378 4.066 -0.814 1.00 0.00 O ATOM 0 H ASP A 48 14.462 3.801 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 48 17.075 2.612 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.067 5.008 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.488 4.878 -3.004 1.00 0.00 H new ATOM 754 N CYS A 49 14.026 2.331 -3.144 1.00 0.00 N ATOM 755 CA CYS A 49 13.158 1.528 -2.344 1.00 0.00 C ATOM 756 C CYS A 49 11.981 0.969 -3.142 1.00 0.00 C ATOM 757 O CYS A 49 11.689 1.402 -4.262 1.00 0.00 O ATOM 758 CB CYS A 49 12.626 2.344 -1.168 1.00 0.00 C ATOM 759 SG CYS A 49 13.849 2.883 0.034 1.00 0.00 S ATOM 0 H CYS A 49 13.556 3.061 -3.680 1.00 0.00 H new ATOM 0 HA CYS A 49 13.747 0.685 -1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.120 3.225 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.874 1.750 -0.650 1.00 0.00 H new ATOM 0 HG CYS A 49 14.891 3.350 -0.587 1.00 0.00 H new ATOM 765 N ASP A 50 11.335 0.015 -2.533 1.00 0.00 N ATOM 766 CA ASP A 50 10.149 -0.649 -3.016 1.00 0.00 C ATOM 767 C ASP A 50 9.109 -0.526 -1.927 1.00 0.00 C ATOM 768 O ASP A 50 9.428 -0.121 -0.793 1.00 0.00 O ATOM 769 CB ASP A 50 10.434 -2.137 -3.294 1.00 0.00 C ATOM 770 CG ASP A 50 9.231 -2.909 -3.814 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.433 -2.349 -4.586 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.041 -4.078 -3.433 1.00 0.00 O ATOM 0 H ASP A 50 11.639 -0.345 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 50 9.809 -0.197 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.243 -2.212 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.786 -2.607 -2.376 1.00 0.00 H new ATOM 777 N LEU A 51 7.910 -0.862 -2.223 1.00 0.00 N ATOM 778 CA LEU A 51 6.878 -0.739 -1.279 1.00 0.00 C ATOM 779 C LEU A 51 6.304 -2.115 -0.971 1.00 0.00 C ATOM 780 O LEU A 51 5.686 -2.744 -1.822 1.00 0.00 O ATOM 781 CB LEU A 51 5.822 0.212 -1.818 1.00 0.00 C ATOM 782 CG LEU A 51 4.822 0.703 -0.814 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.552 1.431 0.285 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.828 1.625 -1.465 1.00 0.00 C ATOM 0 H LEU A 51 7.621 -1.230 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 51 7.259 -0.325 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.324 1.074 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.286 -0.288 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 51 4.279 -0.148 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.834 1.793 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.255 0.752 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.096 2.276 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.111 1.971 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.351 2.482 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.301 1.092 -2.256 1.00 0.00 H new ATOM 796 N GLN A 52 6.532 -2.589 0.223 1.00 0.00 N ATOM 797 CA GLN A 52 6.071 -3.891 0.602 1.00 0.00 C ATOM 798 C GLN A 52 4.935 -3.765 1.603 1.00 0.00 C ATOM 799 O GLN A 52 5.122 -3.334 2.737 1.00 0.00 O ATOM 800 CB GLN A 52 7.202 -4.742 1.153 1.00 0.00 C ATOM 801 CG GLN A 52 6.798 -6.190 1.365 1.00 0.00 C ATOM 802 CD GLN A 52 7.888 -7.083 1.917 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.756 -6.542 2.710 1.00 0.00 O flip ATOM 804 NE2 GLN A 52 7.925 -8.267 1.641 1.00 0.00 N flip ATOM 0 H GLN A 52 7.038 -2.087 0.953 1.00 0.00 H new ATOM 0 HA GLN A 52 5.697 -4.398 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.048 -4.702 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.539 -4.321 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.947 -6.218 2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.460 -6.600 0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.228 -8.666 1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.653 -8.861 2.038 1.00 0.00 H new ATOM 813 N ILE A 53 3.778 -4.121 1.174 1.00 0.00 N ATOM 814 CA ILE A 53 2.577 -3.978 1.963 1.00 0.00 C ATOM 815 C ILE A 53 2.353 -5.286 2.712 1.00 0.00 C ATOM 816 O ILE A 53 2.562 -6.347 2.164 1.00 0.00 O ATOM 817 CB ILE A 53 1.367 -3.730 1.032 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.708 -2.695 -0.043 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.138 -3.290 1.814 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.173 -1.365 0.451 1.00 0.00 C ATOM 0 H ILE A 53 3.621 -4.528 0.252 1.00 0.00 H new ATOM 0 HA ILE A 53 2.680 -3.141 2.653 1.00 0.00 H new ATOM 0 HB ILE A 53 1.135 -4.677 0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.482 -3.112 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.825 -2.541 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.691 -3.125 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.134 -4.065 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.357 -2.364 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.385 -0.715 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.396 -0.914 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.078 -1.493 1.044 1.00 0.00 H new ATOM 832 N THR A 54 2.018 -5.213 3.940 1.00 0.00 N ATOM 833 CA THR A 54 1.776 -6.379 4.740 1.00 0.00 C ATOM 834 C THR A 54 0.357 -6.299 5.329 1.00 0.00 C ATOM 835 O THR A 54 -0.121 -5.228 5.610 1.00 0.00 O ATOM 836 CB THR A 54 2.830 -6.430 5.856 1.00 0.00 C ATOM 837 OG1 THR A 54 4.132 -6.328 5.265 1.00 0.00 O ATOM 838 CG2 THR A 54 2.746 -7.712 6.647 1.00 0.00 C ATOM 0 H THR A 54 1.898 -4.333 4.441 1.00 0.00 H new ATOM 0 HA THR A 54 1.849 -7.285 4.139 1.00 0.00 H new ATOM 0 HB THR A 54 2.645 -5.601 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.647 -5.634 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.508 -7.709 7.426 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.760 -7.794 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.910 -8.561 5.983 1.00 0.00 H new ATOM 846 N ASN A 55 -0.325 -7.412 5.430 1.00 0.00 N ATOM 847 CA ASN A 55 -1.667 -7.443 5.998 1.00 0.00 C ATOM 848 C ASN A 55 -1.623 -7.148 7.483 1.00 0.00 C ATOM 849 O ASN A 55 -0.768 -7.678 8.192 1.00 0.00 O ATOM 850 CB ASN A 55 -2.294 -8.791 5.779 1.00 0.00 C ATOM 851 CG ASN A 55 -3.753 -8.765 6.029 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.206 -8.950 7.135 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.491 -8.548 5.029 1.00 0.00 N ATOM 0 H ASN A 55 0.023 -8.321 5.126 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.264 -6.680 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.106 -9.118 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.825 -9.522 6.438 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.505 -8.524 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.074 -8.396 4.111 1.00 0.00 H new ATOM 860 N ALA A 56 -2.538 -6.315 7.957 1.00 0.00 N ATOM 861 CA ALA A 56 -2.576 -5.948 9.370 1.00 0.00 C ATOM 862 C ALA A 56 -3.037 -7.108 10.230 1.00 0.00 C ATOM 863 O ALA A 56 -2.650 -7.227 11.389 1.00 0.00 O ATOM 864 CB ALA A 56 -3.476 -4.743 9.592 1.00 0.00 C ATOM 0 H ALA A 56 -3.264 -5.880 7.387 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.560 -5.687 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.488 -4.488 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.098 -3.896 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.488 -4.979 9.264 1.00 0.00 H new ATOM 870 N GLN A 57 -3.830 -7.971 9.659 1.00 0.00 N ATOM 871 CA GLN A 57 -4.373 -9.088 10.386 1.00 0.00 C ATOM 872 C GLN A 57 -3.477 -10.305 10.270 1.00 0.00 C ATOM 873 O GLN A 57 -2.970 -10.817 11.262 1.00 0.00 O ATOM 874 CB GLN A 57 -5.767 -9.454 9.859 1.00 0.00 C ATOM 875 CG GLN A 57 -6.789 -8.341 9.912 1.00 0.00 C ATOM 876 CD GLN A 57 -8.131 -8.768 9.346 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.992 -9.267 10.069 1.00 0.00 O ATOM 878 NE2 GLN A 57 -8.322 -8.580 8.062 1.00 0.00 N ATOM 0 H GLN A 57 -4.118 -7.922 8.682 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.441 -8.788 11.432 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.671 -9.788 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.144 -10.300 10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.918 -8.018 10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.418 -7.482 9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.586 -8.163 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.207 -8.851 7.633 1.00 0.00 H new ATOM 887 N THR A 58 -3.247 -10.726 9.059 1.00 0.00 N ATOM 888 CA THR A 58 -2.603 -11.990 8.807 1.00 0.00 C ATOM 889 C THR A 58 -1.092 -11.851 8.683 1.00 0.00 C ATOM 890 O THR A 58 -0.362 -12.827 8.823 1.00 0.00 O ATOM 891 CB THR A 58 -3.164 -12.587 7.505 1.00 0.00 C ATOM 892 OG1 THR A 58 -2.771 -11.754 6.418 1.00 0.00 O ATOM 893 CG2 THR A 58 -4.676 -12.577 7.537 1.00 0.00 C ATOM 0 H THR A 58 -3.499 -10.206 8.218 1.00 0.00 H new ATOM 0 HA THR A 58 -2.807 -12.644 9.655 1.00 0.00 H new ATOM 0 HB THR A 58 -2.791 -13.605 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.248 -12.028 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.062 -13.002 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.026 -13.170 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.031 -11.552 7.642 1.00 0.00 H new ATOM 901 N LYS A 59 -0.627 -10.617 8.459 1.00 0.00 N ATOM 902 CA LYS A 59 0.783 -10.342 8.176 1.00 0.00 C ATOM 903 C LYS A 59 1.249 -10.961 6.851 1.00 0.00 C ATOM 904 O LYS A 59 2.447 -11.180 6.622 1.00 0.00 O ATOM 905 CB LYS A 59 1.718 -10.656 9.360 1.00 0.00 C ATOM 906 CG LYS A 59 1.705 -9.585 10.457 1.00 0.00 C ATOM 907 CD LYS A 59 0.362 -9.451 11.150 1.00 0.00 C ATOM 908 CE LYS A 59 0.323 -8.239 12.068 1.00 0.00 C ATOM 909 NZ LYS A 59 1.362 -8.263 13.123 1.00 0.00 N ATOM 0 H LYS A 59 -1.216 -9.785 8.469 1.00 0.00 H new ATOM 0 HA LYS A 59 0.854 -9.263 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.430 -11.613 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.736 -10.769 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.466 -9.826 11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.978 -8.624 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.427 -9.367 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.159 -10.352 11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.445 -7.336 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.659 -8.180 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.257 -7.427 13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.255 -9.124 13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.304 -8.255 12.683 1.00 0.00 H new ATOM 923 N GLU A 60 0.280 -11.194 5.977 1.00 0.00 N ATOM 924 CA GLU A 60 0.508 -11.617 4.610 1.00 0.00 C ATOM 925 C GLU A 60 1.182 -10.462 3.883 1.00 0.00 C ATOM 926 O GLU A 60 0.613 -9.370 3.781 1.00 0.00 O ATOM 927 CB GLU A 60 -0.852 -11.889 3.984 1.00 0.00 C ATOM 928 CG GLU A 60 -0.892 -12.278 2.520 1.00 0.00 C ATOM 929 CD GLU A 60 -2.324 -12.495 2.053 1.00 0.00 C ATOM 930 OE1 GLU A 60 -3.157 -11.551 2.131 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.652 -13.604 1.596 1.00 0.00 O ATOM 0 H GLU A 60 -0.708 -11.091 6.208 1.00 0.00 H new ATOM 0 HA GLU A 60 1.131 -12.510 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.330 -12.685 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.463 -10.995 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.424 -11.498 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.313 -13.189 2.366 1.00 0.00 H new ATOM 938 N GLU A 61 2.383 -10.668 3.452 1.00 0.00 N ATOM 939 CA GLU A 61 3.114 -9.672 2.766 1.00 0.00 C ATOM 940 C GLU A 61 2.816 -9.729 1.307 1.00 0.00 C ATOM 941 O GLU A 61 2.883 -10.783 0.669 1.00 0.00 O ATOM 942 CB GLU A 61 4.582 -9.836 3.028 1.00 0.00 C ATOM 943 CG GLU A 61 4.919 -9.567 4.462 1.00 0.00 C ATOM 944 CD GLU A 61 6.321 -9.920 4.842 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.647 -11.123 4.879 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.112 -9.020 5.174 1.00 0.00 O ATOM 0 H GLU A 61 2.885 -11.548 3.572 1.00 0.00 H new ATOM 0 HA GLU A 61 2.813 -8.691 3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.888 -10.849 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.145 -9.157 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.754 -8.510 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.231 -10.127 5.096 1.00 0.00 H new ATOM 953 N TYR A 62 2.471 -8.622 0.796 1.00 0.00 N ATOM 954 CA TYR A 62 2.115 -8.495 -0.573 1.00 0.00 C ATOM 955 C TYR A 62 3.336 -8.127 -1.365 1.00 0.00 C ATOM 956 O TYR A 62 3.742 -6.965 -1.415 1.00 0.00 O ATOM 957 CB TYR A 62 0.986 -7.476 -0.746 1.00 0.00 C ATOM 958 CG TYR A 62 -0.222 -7.816 0.092 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.030 -8.873 -0.254 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.539 -7.095 1.238 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.113 -9.214 0.501 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.635 -7.432 2.005 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.417 -8.497 1.628 1.00 0.00 C ATOM 964 OH TYR A 62 -3.499 -8.872 2.392 1.00 0.00 O ATOM 0 H TYR A 62 2.423 -7.749 1.321 1.00 0.00 H new ATOM 0 HA TYR A 62 1.737 -9.446 -0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.348 -6.485 -0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.697 -7.431 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.802 -9.445 -1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.081 -6.261 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.732 -10.050 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.876 -6.865 2.892 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.547 -9.850 2.433 1.00 0.00 H new ATOM 974 N THR A 63 3.971 -9.138 -1.878 1.00 0.00 N ATOM 975 CA THR A 63 5.163 -8.995 -2.653 1.00 0.00 C ATOM 976 C THR A 63 4.852 -9.038 -4.154 1.00 0.00 C ATOM 977 O THR A 63 5.574 -8.453 -4.974 1.00 0.00 O ATOM 978 CB THR A 63 6.120 -10.134 -2.278 1.00 0.00 C ATOM 979 OG1 THR A 63 5.413 -11.385 -2.397 1.00 0.00 O ATOM 980 CG2 THR A 63 6.607 -9.973 -0.837 1.00 0.00 C ATOM 0 H THR A 63 3.667 -10.105 -1.766 1.00 0.00 H new ATOM 0 HA THR A 63 5.621 -8.029 -2.440 1.00 0.00 H new ATOM 0 HB THR A 63 6.982 -10.112 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.013 -12.123 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.285 -10.790 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.131 -9.023 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.753 -9.992 -0.160 1.00 0.00 H new ATOM 988 N ASP A 64 3.763 -9.715 -4.510 1.00 0.00 N ATOM 989 CA ASP A 64 3.381 -9.856 -5.913 1.00 0.00 C ATOM 990 C ASP A 64 2.486 -8.711 -6.272 1.00 0.00 C ATOM 991 O ASP A 64 1.541 -8.434 -5.554 1.00 0.00 O ATOM 992 CB ASP A 64 2.606 -11.145 -6.170 1.00 0.00 C ATOM 993 CG ASP A 64 2.687 -11.565 -7.604 1.00 0.00 C ATOM 994 OD1 ASP A 64 2.358 -10.763 -8.466 1.00 0.00 O ATOM 995 OD2 ASP A 64 3.040 -12.722 -7.880 1.00 0.00 O ATOM 0 H ASP A 64 3.133 -10.172 -3.851 1.00 0.00 H new ATOM 0 HA ASP A 64 4.293 -9.874 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.000 -11.939 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.562 -11.003 -5.891 1.00 0.00 H new ATOM 1000 N ASP A 65 2.717 -8.099 -7.412 1.00 0.00 N ATOM 1001 CA ASP A 65 1.956 -6.914 -7.831 1.00 0.00 C ATOM 1002 C ASP A 65 0.510 -7.257 -8.156 1.00 0.00 C ATOM 1003 O ASP A 65 -0.345 -6.367 -8.270 1.00 0.00 O ATOM 1004 CB ASP A 65 2.596 -6.212 -9.027 1.00 0.00 C ATOM 1005 CG ASP A 65 4.028 -5.790 -8.790 1.00 0.00 C ATOM 1006 OD1 ASP A 65 4.951 -6.642 -8.902 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.269 -4.614 -8.481 1.00 0.00 O ATOM 0 H ASP A 65 3.429 -8.396 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 65 1.972 -6.231 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.561 -6.878 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.004 -5.332 -9.280 1.00 0.00 H new ATOM 1012 N ASN A 66 0.241 -8.544 -8.279 1.00 0.00 N ATOM 1013 CA ASN A 66 -1.101 -9.049 -8.578 1.00 0.00 C ATOM 1014 C ASN A 66 -1.930 -9.162 -7.327 1.00 0.00 C ATOM 1015 O ASN A 66 -3.139 -9.442 -7.402 1.00 0.00 O ATOM 1016 CB ASN A 66 -1.045 -10.419 -9.238 1.00 0.00 C ATOM 1017 CG ASN A 66 -0.378 -10.404 -10.573 1.00 0.00 C ATOM 1018 OD1 ASN A 66 -1.024 -10.258 -11.612 1.00 0.00 O ATOM 1019 ND2 ASN A 66 0.904 -10.520 -10.565 1.00 0.00 N ATOM 0 H ASN A 66 0.944 -9.276 -8.175 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.558 -8.333 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.514 -11.109 -8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.059 -10.802 -9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.424 -10.493 -11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.400 -10.639 -9.682 1.00 0.00 H new ATOM 1026 N ALA A 67 -1.284 -8.983 -6.177 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.966 -9.029 -4.905 1.00 0.00 C ATOM 1028 C ALA A 67 -2.970 -7.908 -4.855 1.00 0.00 C ATOM 1029 O ALA A 67 -2.680 -6.828 -5.291 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.977 -8.905 -3.767 1.00 0.00 C ATOM 0 H ALA A 67 -0.282 -8.804 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.478 -9.985 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.509 -8.942 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.263 -9.727 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.445 -7.957 -3.849 1.00 0.00 H new ATOM 1036 N LEU A 68 -4.136 -8.167 -4.392 1.00 0.00 N ATOM 1037 CA LEU A 68 -5.163 -7.160 -4.376 1.00 0.00 C ATOM 1038 C LEU A 68 -5.582 -6.865 -2.957 1.00 0.00 C ATOM 1039 O LEU A 68 -5.680 -7.787 -2.121 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.340 -7.603 -5.253 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.120 -8.814 -4.755 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.255 -8.386 -3.878 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.585 -9.694 -5.891 1.00 0.00 C ATOM 0 H LEU A 68 -4.417 -9.071 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.775 -6.231 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.030 -6.765 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.962 -7.824 -6.251 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.444 -9.421 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.799 -9.265 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.865 -7.840 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.928 -7.741 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.136 -10.545 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.234 -9.121 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.721 -10.053 -6.451 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.764 -5.620 -2.642 1.00 0.00 N ATOM 1056 CA ILE A 69 -6.206 -5.288 -1.321 1.00 0.00 C ATOM 1057 C ILE A 69 -7.585 -4.609 -1.390 1.00 0.00 C ATOM 1058 O ILE A 69 -7.755 -3.596 -2.051 1.00 0.00 O ATOM 1059 CB ILE A 69 -5.200 -4.392 -0.509 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.792 -5.029 -0.372 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.756 -4.092 0.874 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.906 -4.935 -1.605 1.00 0.00 C ATOM 0 H ILE A 69 -5.617 -4.828 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.269 -6.230 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.085 -3.469 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.276 -4.552 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.912 -6.081 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.049 -3.471 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.704 -3.563 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.914 -5.026 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.947 -5.411 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.391 -5.440 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.745 -3.887 -1.858 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.588 -5.215 -0.773 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.942 -4.661 -0.708 1.00 0.00 C ATOM 1076 C PRO A 70 -10.097 -3.564 0.336 1.00 0.00 C ATOM 1077 O PRO A 70 -9.352 -3.504 1.315 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.782 -5.870 -0.314 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.850 -6.717 0.477 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.496 -6.519 -0.111 1.00 0.00 C ATOM 0 HA PRO A 70 -10.226 -4.190 -1.649 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.651 -5.577 0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.155 -6.399 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.862 -6.430 1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.144 -7.766 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.722 -6.524 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.248 -7.310 -0.819 1.00 0.00 H new ATOM 1088 N LYS A 71 -11.116 -2.728 0.146 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.434 -1.644 1.091 1.00 0.00 C ATOM 1090 C LYS A 71 -11.988 -2.180 2.405 1.00 0.00 C ATOM 1091 O LYS A 71 -12.236 -1.437 3.345 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.411 -0.636 0.478 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.666 -1.228 -0.138 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.618 -0.126 -0.537 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.821 -0.633 -1.304 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.664 0.484 -1.768 1.00 0.00 N ATOM 0 H LYS A 71 -11.743 -2.776 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.496 -1.131 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.707 0.072 1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.885 -0.068 -0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.405 -1.827 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.149 -1.897 0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.958 0.395 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.086 0.603 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.489 -1.222 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.408 -1.296 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.499 0.107 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.970 1.050 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.118 1.083 -2.420 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.194 -3.467 2.441 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.690 -4.149 3.625 1.00 0.00 C ATOM 1112 C ASN A 72 -11.544 -4.555 4.531 1.00 0.00 C ATOM 1113 O ASN A 72 -11.756 -5.062 5.630 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.513 -5.394 3.239 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.779 -5.063 2.472 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -15.373 -4.003 2.652 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.206 -5.960 1.619 1.00 0.00 N ATOM 0 H ASN A 72 -12.024 -4.086 1.648 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.336 -3.454 4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.894 -6.057 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.777 -5.941 4.144 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.055 -5.788 1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.689 -6.830 1.493 1.00 0.00 H new ATOM 1124 N SER A 73 -10.341 -4.322 4.089 1.00 0.00 N ATOM 1125 CA SER A 73 -9.186 -4.752 4.809 1.00 0.00 C ATOM 1126 C SER A 73 -8.277 -3.580 5.143 1.00 0.00 C ATOM 1127 O SER A 73 -8.359 -2.514 4.522 1.00 0.00 O ATOM 1128 CB SER A 73 -8.452 -5.789 3.976 1.00 0.00 C ATOM 1129 OG SER A 73 -9.315 -6.896 3.690 1.00 0.00 O ATOM 0 H SER A 73 -10.138 -3.829 3.220 1.00 0.00 H new ATOM 0 HA SER A 73 -9.495 -5.195 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.105 -5.339 3.046 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.568 -6.136 4.511 1.00 0.00 H new ATOM 0 HG SER A 73 -8.891 -7.478 3.025 1.00 0.00 H new ATOM 1135 N SER A 74 -7.462 -3.765 6.145 1.00 0.00 N ATOM 1136 CA SER A 74 -6.502 -2.794 6.543 1.00 0.00 C ATOM 1137 C SER A 74 -5.126 -3.425 6.396 1.00 0.00 C ATOM 1138 O SER A 74 -4.934 -4.614 6.718 1.00 0.00 O ATOM 1139 CB SER A 74 -6.768 -2.382 7.982 1.00 0.00 C ATOM 1140 OG SER A 74 -8.144 -2.053 8.139 1.00 0.00 O ATOM 0 H SER A 74 -7.453 -4.612 6.713 1.00 0.00 H new ATOM 0 HA SER A 74 -6.561 -1.898 5.925 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.498 -3.193 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.147 -1.526 8.246 1.00 0.00 H new ATOM 0 HG SER A 74 -8.313 -1.789 9.068 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.202 -2.680 5.886 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.885 -3.180 5.635 1.00 0.00 C ATOM 1148 C VAL A 75 -1.812 -2.252 6.199 1.00 0.00 C ATOM 1149 O VAL A 75 -2.078 -1.104 6.557 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.639 -3.458 4.117 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.423 -4.682 3.661 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.049 -2.261 3.266 1.00 0.00 C ATOM 0 H VAL A 75 -4.337 -1.702 5.629 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.811 -4.134 6.157 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.572 -3.639 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.238 -4.859 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.105 -5.552 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.488 -4.512 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.867 -2.483 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.109 -2.055 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.465 -1.389 3.559 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.633 -2.766 6.310 1.00 0.00 N ATOM 1163 CA ILE A 76 0.503 -2.047 6.810 1.00 0.00 C ATOM 1164 C ILE A 76 1.400 -1.825 5.616 1.00 0.00 C ATOM 1165 O ILE A 76 1.644 -2.749 4.859 1.00 0.00 O ATOM 1166 CB ILE A 76 1.295 -2.895 7.857 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.346 -3.613 8.832 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.255 -2.007 8.645 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.531 -2.688 9.637 1.00 0.00 C ATOM 0 H ILE A 76 -0.421 -3.729 6.048 1.00 0.00 H new ATOM 0 HA ILE A 76 0.185 -1.123 7.294 1.00 0.00 H new ATOM 0 HB ILE A 76 1.861 -3.647 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.288 -4.296 8.267 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.938 -4.220 9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.799 -2.613 9.370 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.962 -1.538 7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.690 -1.235 9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.169 -3.275 10.298 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.093 -2.021 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.153 -2.098 8.963 1.00 0.00 H new ATOM 1181 N VAL A 77 1.865 -0.653 5.428 1.00 0.00 N ATOM 1182 CA VAL A 77 2.671 -0.367 4.278 1.00 0.00 C ATOM 1183 C VAL A 77 4.111 -0.053 4.677 1.00 0.00 C ATOM 1184 O VAL A 77 4.422 1.000 5.243 1.00 0.00 O ATOM 1185 CB VAL A 77 2.013 0.711 3.363 1.00 0.00 C ATOM 1186 CG1 VAL A 77 1.488 1.818 4.126 1.00 0.00 C ATOM 1187 CG2 VAL A 77 2.946 1.225 2.329 1.00 0.00 C ATOM 0 H VAL A 77 1.708 0.139 6.052 1.00 0.00 H new ATOM 0 HA VAL A 77 2.724 -1.266 3.663 1.00 0.00 H new ATOM 0 HB VAL A 77 1.189 0.205 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.039 2.545 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.732 1.454 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.296 2.292 4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.438 1.972 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.811 1.678 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.275 0.402 1.694 1.00 0.00 H new ATOM 1197 N ARG A 78 4.962 -0.994 4.406 1.00 0.00 N ATOM 1198 CA ARG A 78 6.342 -0.940 4.795 1.00 0.00 C ATOM 1199 C ARG A 78 7.206 -0.582 3.590 1.00 0.00 C ATOM 1200 O ARG A 78 7.063 -1.160 2.515 1.00 0.00 O ATOM 1201 CB ARG A 78 6.743 -2.316 5.335 1.00 0.00 C ATOM 1202 CG ARG A 78 8.159 -2.414 5.879 1.00 0.00 C ATOM 1203 CD ARG A 78 8.529 -3.859 6.194 1.00 0.00 C ATOM 1204 NE ARG A 78 7.578 -4.506 7.112 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.115 -5.763 6.972 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.592 -6.543 6.008 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.232 -6.241 7.824 1.00 0.00 N ATOM 0 H ARG A 78 4.713 -1.842 3.896 1.00 0.00 H new ATOM 0 HA ARG A 78 6.487 -0.180 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.047 -2.594 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.627 -3.049 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.860 -2.007 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.248 -1.808 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.574 -4.428 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.526 -3.886 6.633 1.00 0.00 H new ATOM 0 HE ARG A 78 7.246 -3.965 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.309 -6.190 5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.241 -7.495 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.897 -5.659 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.883 -7.193 7.716 1.00 0.00 H new ATOM 1221 N ARG A 79 8.080 0.355 3.755 1.00 0.00 N ATOM 1222 CA ARG A 79 8.981 0.722 2.688 1.00 0.00 C ATOM 1223 C ARG A 79 10.241 -0.119 2.810 1.00 0.00 C ATOM 1224 O ARG A 79 10.937 -0.054 3.828 1.00 0.00 O ATOM 1225 CB ARG A 79 9.318 2.200 2.769 1.00 0.00 C ATOM 1226 CG ARG A 79 10.230 2.695 1.663 1.00 0.00 C ATOM 1227 CD ARG A 79 10.561 4.157 1.859 1.00 0.00 C ATOM 1228 NE ARG A 79 11.256 4.383 3.122 1.00 0.00 N ATOM 1229 CZ ARG A 79 11.251 5.517 3.814 1.00 0.00 C ATOM 1230 NH1 ARG A 79 10.497 6.550 3.430 1.00 0.00 N ATOM 1231 NH2 ARG A 79 11.973 5.605 4.912 1.00 0.00 N ATOM 0 H ARG A 79 8.198 0.888 4.617 1.00 0.00 H new ATOM 0 HA ARG A 79 8.509 0.538 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.391 2.774 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.791 2.400 3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.148 2.107 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.748 2.552 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.182 4.504 1.033 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.643 4.745 1.837 1.00 0.00 H new ATOM 0 HE ARG A 79 11.791 3.604 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.915 6.474 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.503 7.415 3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.528 4.808 5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.977 6.471 5.452 1.00 0.00 H new ATOM 1245 N ILE A 80 10.515 -0.925 1.817 1.00 0.00 N ATOM 1246 CA ILE A 80 11.666 -1.797 1.865 1.00 0.00 C ATOM 1247 C ILE A 80 12.650 -1.428 0.756 1.00 0.00 C ATOM 1248 O ILE A 80 12.247 -0.879 -0.242 1.00 0.00 O ATOM 1249 CB ILE A 80 11.246 -3.317 1.816 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.560 -3.724 0.503 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.337 -3.657 2.971 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.516 -4.227 -0.562 1.00 0.00 C ATOM 0 H ILE A 80 9.959 -0.998 0.965 1.00 0.00 H new ATOM 0 HA ILE A 80 12.172 -1.654 2.820 1.00 0.00 H new ATOM 0 HB ILE A 80 12.177 -3.880 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.826 -4.502 0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.013 -2.867 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.059 -4.710 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.855 -3.465 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.439 -3.042 2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.955 -4.494 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.235 -3.445 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.046 -5.104 -0.191 1.00 0.00 H new ATOM 1264 N PRO A 81 13.941 -1.666 0.939 1.00 0.00 N ATOM 1265 CA PRO A 81 14.953 -1.361 -0.087 1.00 0.00 C ATOM 1266 C PRO A 81 14.940 -2.384 -1.250 1.00 0.00 C ATOM 1267 O PRO A 81 14.814 -3.599 -1.024 1.00 0.00 O ATOM 1268 CB PRO A 81 16.259 -1.476 0.699 1.00 0.00 C ATOM 1269 CG PRO A 81 15.954 -2.500 1.736 1.00 0.00 C ATOM 1270 CD PRO A 81 14.549 -2.225 2.163 1.00 0.00 C ATOM 0 HA PRO A 81 14.790 -0.392 -0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.086 -1.786 0.060 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.543 -0.524 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.052 -3.508 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.643 -2.424 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.040 -3.132 2.490 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.509 -1.520 2.993 1.00 0.00 H new