USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 947 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 88 TYR OH : rot -86:sc= -1.39! USER MOD Set 1.2: A 90 SER OG : rot 118:sc= 0.965 USER MOD Set 1.3: A 92 THR OG1 : rot 67:sc= 0.886 USER MOD Set 2.1: A 81 MET CE :methyl -126:sc= -1.05 (180deg=-4.18!) USER MOD Set 2.2: A 137 THR OG1 : rot -161:sc= -0.0344 USER MOD Set 3.1: A 54 GLN : amide:sc= -8.74! C(o=-17!,f=-30!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -8.03! C(o=-17!,f=-19!) USER MOD Single : A 26 LYS NZ :NH3+ -120:sc= -6.37! (180deg=-11!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 88:sc= -0.262 USER MOD Single : A 31 SER OG : rot 169:sc= -0.56 USER MOD Single : A 35 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-3.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -70:sc= -2.84! USER MOD Single : A 52 SER OG : rot 65:sc= 1.07 USER MOD Single : A 57 GLN : amide:sc= -5.98! C(o=-6!,f=-21!) USER MOD Single : A 59 GLN : amide:sc= -6.46! C(o=-6.5!,f=-10!) USER MOD Single : A 61 SER OG : rot -53:sc= 0.927 USER MOD Single : A 64 SER OG : rot 75:sc= 0.577 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= -6.97! (180deg=-7.52!) USER MOD Single : A 72 SER OG : rot 16:sc= 0.213 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -127:sc= -1.13 USER MOD Single : A 77 GLN : amide:sc= -1.04 K(o=-1,f=-3!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -7.66! C(o=-7.7!,f=-5!) USER MOD Single : A 97 CYS SG : rot 164:sc= -0.542 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-3!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -2.05 K(o=-2,f=-6.7!) USER MOD Single : A 110 THR OG1 : rot 63:sc= 0.768 USER MOD Single : A 111 TYR OH : rot 9:sc= -9.64! USER MOD Single : A 113 SER OG : rot -63:sc= 0.183 USER MOD Single : A 114 LYS NZ :NH3+ -152:sc= 0.0248 (180deg=-0.405) USER MOD Single : A 115 LYS NZ :NH3+ 149:sc= -3.7! (180deg=-6.64!) USER MOD Single : A 116 HIS : no HE2:sc= -15! C(o=-15!,f=-17!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.838 K(o=-0.84,f=-0.3) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -3.3 K(o=-3.3,f=-7.2!) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot 150:sc= -1.41 USER MOD Single : A 132 LYS NZ :NH3+ 154:sc= -0.2 (180deg=-1.6) USER MOD Single : A 138 HIS : no HE2:sc= -0.563 K(o=-0.56,f=-2.2!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -8.443 -6.733 8.471 1.00 0.00 N ATOM 38 CA LYS A 26 -7.424 -7.127 7.512 1.00 0.00 C ATOM 39 C LYS A 26 -6.064 -6.602 7.976 1.00 0.00 C ATOM 40 O LYS A 26 -5.979 -5.532 8.577 1.00 0.00 O ATOM 41 CB LYS A 26 -7.810 -6.673 6.103 1.00 0.00 C ATOM 42 CG LYS A 26 -7.041 -7.463 5.042 1.00 0.00 C ATOM 43 CD LYS A 26 -6.200 -6.532 4.167 1.00 0.00 C ATOM 44 CE LYS A 26 -4.810 -6.319 4.771 1.00 0.00 C ATOM 45 NZ LYS A 26 -4.831 -5.201 5.740 1.00 0.00 N ATOM 0 HA LYS A 26 -7.347 -8.213 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.882 -6.806 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.603 -5.609 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.395 -8.195 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.741 -8.019 4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.105 -6.955 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.705 -5.572 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.479 -7.231 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.091 -6.108 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.170 -4.460 5.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.792 -4.807 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.546 -5.549 6.678 1.00 0.00 H new ATOM 59 N LEU A 27 -5.033 -7.381 7.681 1.00 0.00 N ATOM 60 CA LEU A 27 -3.681 -7.008 8.060 1.00 0.00 C ATOM 61 C LEU A 27 -2.729 -7.310 6.901 1.00 0.00 C ATOM 62 O LEU A 27 -2.563 -8.466 6.515 1.00 0.00 O ATOM 63 CB LEU A 27 -3.286 -7.687 9.373 1.00 0.00 C ATOM 64 CG LEU A 27 -2.035 -8.567 9.324 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.796 -7.739 8.977 1.00 0.00 C ATOM 66 CD2 LEU A 27 -1.859 -9.342 10.631 1.00 0.00 C ATOM 0 H LEU A 27 -5.107 -8.269 7.184 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.621 -5.937 8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.133 -6.915 10.127 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.123 -8.299 9.709 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.164 -9.302 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.079 -8.388 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.932 -7.271 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.651 -6.967 9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.963 -9.960 10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.761 -8.641 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.728 -9.979 10.796 1.00 0.00 H new ATOM 78 N LEU A 28 -2.129 -6.251 6.378 1.00 0.00 N ATOM 79 CA LEU A 28 -1.198 -6.389 5.271 1.00 0.00 C ATOM 80 C LEU A 28 0.219 -6.564 5.821 1.00 0.00 C ATOM 81 O LEU A 28 0.518 -6.122 6.929 1.00 0.00 O ATOM 82 CB LEU A 28 -1.340 -5.213 4.302 1.00 0.00 C ATOM 83 CG LEU A 28 -1.539 -5.579 2.829 1.00 0.00 C ATOM 84 CD1 LEU A 28 -2.149 -4.411 2.052 1.00 0.00 C ATOM 85 CD2 LEU A 28 -0.229 -6.063 2.203 1.00 0.00 C ATOM 0 H LEU A 28 -2.269 -5.294 6.700 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.428 -7.282 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.185 -4.604 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.449 -4.590 4.384 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.247 -6.406 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.280 -4.697 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.117 -4.154 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.485 -3.548 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.398 -6.317 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.519 -5.273 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.126 -6.944 2.737 1.00 0.00 H new ATOM 97 N TYR A 29 1.055 -7.209 5.020 1.00 0.00 N ATOM 98 CA TYR A 29 2.433 -7.448 5.413 1.00 0.00 C ATOM 99 C TYR A 29 3.369 -7.367 4.205 1.00 0.00 C ATOM 100 O TYR A 29 3.090 -7.951 3.159 1.00 0.00 O ATOM 101 CB TYR A 29 2.470 -8.870 5.977 1.00 0.00 C ATOM 102 CG TYR A 29 3.882 -9.398 6.241 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.582 -8.970 7.350 1.00 0.00 C ATOM 104 CD2 TYR A 29 4.455 -10.302 5.370 1.00 0.00 C ATOM 105 CE1 TYR A 29 5.911 -9.466 7.599 1.00 0.00 C ATOM 106 CE2 TYR A 29 5.784 -10.799 5.618 1.00 0.00 C ATOM 107 CZ TYR A 29 6.446 -10.356 6.720 1.00 0.00 C ATOM 108 OH TYR A 29 7.701 -10.825 6.955 1.00 0.00 O ATOM 0 H TYR A 29 0.804 -7.573 4.101 1.00 0.00 H new ATOM 0 HA TYR A 29 2.761 -6.702 6.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.904 -8.896 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.967 -9.540 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.133 -8.263 8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.907 -10.637 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.470 -9.139 8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.244 -11.507 4.944 1.00 0.00 H new ATOM 0 HH TYR A 29 7.953 -11.453 6.247 1.00 0.00 H new ATOM 118 N CYS A 30 4.460 -6.638 4.390 1.00 0.00 N ATOM 119 CA CYS A 30 5.438 -6.473 3.329 1.00 0.00 C ATOM 120 C CYS A 30 6.551 -7.502 3.537 1.00 0.00 C ATOM 121 O CYS A 30 7.389 -7.345 4.423 1.00 0.00 O ATOM 122 CB CYS A 30 5.984 -5.044 3.280 1.00 0.00 C ATOM 123 SG CYS A 30 5.861 -4.385 1.578 1.00 0.00 S ATOM 0 H CYS A 30 4.688 -6.155 5.259 1.00 0.00 H new ATOM 0 HA CYS A 30 4.962 -6.644 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.424 -4.408 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.023 -5.031 3.609 1.00 0.00 H new ATOM 0 HG CYS A 30 4.693 -3.840 1.407 1.00 0.00 H new ATOM 129 N SER A 31 6.523 -8.533 2.705 1.00 0.00 N ATOM 130 CA SER A 31 7.519 -9.588 2.787 1.00 0.00 C ATOM 131 C SER A 31 8.873 -8.999 3.188 1.00 0.00 C ATOM 132 O SER A 31 9.336 -9.206 4.309 1.00 0.00 O ATOM 133 CB SER A 31 7.639 -10.336 1.457 1.00 0.00 C ATOM 134 OG SER A 31 8.325 -9.569 0.473 1.00 0.00 O ATOM 0 H SER A 31 5.826 -8.660 1.971 1.00 0.00 H new ATOM 0 HA SER A 31 7.200 -10.301 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.167 -11.276 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.643 -10.587 1.091 1.00 0.00 H new ATOM 0 HG SER A 31 8.537 -10.138 -0.296 1.00 0.00 H new ATOM 168 N HIS A 35 7.461 -5.405 6.948 1.00 0.00 N ATOM 169 CA HIS A 35 6.830 -4.190 7.436 1.00 0.00 C ATOM 170 C HIS A 35 5.313 -4.299 7.272 1.00 0.00 C ATOM 171 O HIS A 35 4.829 -5.037 6.415 1.00 0.00 O ATOM 172 CB HIS A 35 7.415 -2.958 6.743 1.00 0.00 C ATOM 173 CG HIS A 35 8.888 -2.749 7.002 1.00 0.00 C ATOM 174 ND1 HIS A 35 9.875 -3.427 6.307 1.00 0.00 N ATOM 175 CD2 HIS A 35 9.531 -1.931 7.885 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.054 -3.028 6.761 1.00 0.00 C ATOM 177 NE2 HIS A 35 10.839 -2.101 7.738 1.00 0.00 N ATOM 0 HA HIS A 35 7.038 -4.069 8.499 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.255 -3.048 5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.869 -2.074 7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.721 -4.116 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.056 -1.259 8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.017 -3.376 6.417 1.00 0.00 H new ATOM 185 N PHE A 36 4.605 -3.552 8.106 1.00 0.00 N ATOM 186 CA PHE A 36 3.153 -3.554 8.065 1.00 0.00 C ATOM 187 C PHE A 36 2.609 -2.149 7.799 1.00 0.00 C ATOM 188 O PHE A 36 2.493 -1.340 8.718 1.00 0.00 O ATOM 189 CB PHE A 36 2.667 -4.025 9.437 1.00 0.00 C ATOM 190 CG PHE A 36 3.009 -5.483 9.752 1.00 0.00 C ATOM 191 CD1 PHE A 36 4.206 -5.793 10.316 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.115 -6.467 9.468 1.00 0.00 C ATOM 193 CE1 PHE A 36 4.524 -7.146 10.609 1.00 0.00 C ATOM 194 CE2 PHE A 36 2.432 -7.820 9.761 1.00 0.00 C ATOM 195 CZ PHE A 36 3.630 -8.131 10.325 1.00 0.00 C ATOM 0 H PHE A 36 5.010 -2.941 8.815 1.00 0.00 H new ATOM 0 HA PHE A 36 2.805 -4.206 7.264 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.104 -3.386 10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.586 -3.896 9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.915 -5.011 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.164 -6.220 9.020 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.475 -7.393 11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.722 -8.602 9.536 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.871 -9.160 10.547 1.00 0.00 H new ATOM 205 N LEU A 37 2.291 -1.902 6.536 1.00 0.00 N ATOM 206 CA LEU A 37 1.762 -0.608 6.138 1.00 0.00 C ATOM 207 C LEU A 37 0.907 -0.040 7.272 1.00 0.00 C ATOM 208 O LEU A 37 0.270 -0.790 8.010 1.00 0.00 O ATOM 209 CB LEU A 37 1.019 -0.721 4.805 1.00 0.00 C ATOM 210 CG LEU A 37 1.735 -0.133 3.587 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.205 -0.749 2.290 1.00 0.00 C ATOM 212 CD2 LEU A 37 1.638 1.394 3.577 1.00 0.00 C ATOM 0 H LEU A 37 2.389 -2.575 5.776 1.00 0.00 H new ATOM 0 HA LEU A 37 2.574 0.099 5.966 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.820 -1.775 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.053 -0.227 4.907 1.00 0.00 H new ATOM 0 HG LEU A 37 2.793 -0.388 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.730 -0.314 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.369 -1.826 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.138 -0.546 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.155 1.786 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.590 1.692 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.100 1.794 4.480 1.00 0.00 H new ATOM 224 N ARG A 38 0.921 1.281 7.376 1.00 0.00 N ATOM 225 CA ARG A 38 0.155 1.959 8.408 1.00 0.00 C ATOM 226 C ARG A 38 -0.410 3.276 7.871 1.00 0.00 C ATOM 227 O ARG A 38 0.313 4.064 7.264 1.00 0.00 O ATOM 228 CB ARG A 38 1.020 2.246 9.637 1.00 0.00 C ATOM 229 CG ARG A 38 2.306 2.974 9.243 1.00 0.00 C ATOM 230 CD ARG A 38 2.991 3.580 10.471 1.00 0.00 C ATOM 231 NE ARG A 38 3.046 2.583 11.563 1.00 0.00 N ATOM 232 CZ ARG A 38 3.475 2.851 12.804 1.00 0.00 C ATOM 233 NH1 ARG A 38 3.890 4.086 13.117 1.00 0.00 N ATOM 234 NH2 ARG A 38 3.491 1.884 13.731 1.00 0.00 N ATOM 0 H ARG A 38 1.451 1.900 6.762 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.663 1.301 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.458 2.851 10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.266 1.311 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.985 2.279 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.077 3.761 8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.999 3.904 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.447 4.464 10.802 1.00 0.00 H new ATOM 0 HE ARG A 38 2.738 1.632 11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.879 4.822 12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.217 4.290 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.177 0.943 13.492 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.818 2.088 14.675 1.00 0.00 H new ATOM 248 N ILE A 39 -1.698 3.473 8.114 1.00 0.00 N ATOM 249 CA ILE A 39 -2.368 4.680 7.663 1.00 0.00 C ATOM 250 C ILE A 39 -2.714 5.549 8.874 1.00 0.00 C ATOM 251 O ILE A 39 -3.570 5.186 9.679 1.00 0.00 O ATOM 252 CB ILE A 39 -3.576 4.329 6.792 1.00 0.00 C ATOM 253 CG1 ILE A 39 -3.416 4.892 5.379 1.00 0.00 C ATOM 254 CG2 ILE A 39 -4.878 4.792 7.450 1.00 0.00 C ATOM 255 CD1 ILE A 39 -3.530 3.783 4.331 1.00 0.00 C ATOM 0 H ILE A 39 -2.295 2.817 8.617 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.706 5.268 7.027 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.628 3.244 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.179 5.649 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.448 5.386 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.722 4.531 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.991 4.303 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.850 5.873 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.413 4.210 3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.751 3.040 4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.508 3.308 4.409 1.00 0.00 H new ATOM 267 N LEU A 40 -2.031 6.681 8.964 1.00 0.00 N ATOM 268 CA LEU A 40 -2.255 7.604 10.063 1.00 0.00 C ATOM 269 C LEU A 40 -3.402 8.550 9.703 1.00 0.00 C ATOM 270 O LEU A 40 -3.524 8.975 8.555 1.00 0.00 O ATOM 271 CB LEU A 40 -0.956 8.325 10.431 1.00 0.00 C ATOM 272 CG LEU A 40 0.333 7.526 10.233 1.00 0.00 C ATOM 273 CD1 LEU A 40 1.527 8.457 10.011 1.00 0.00 C ATOM 274 CD2 LEU A 40 0.567 6.563 11.399 1.00 0.00 C ATOM 0 H LEU A 40 -1.322 6.980 8.294 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.557 7.062 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.889 9.237 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.015 8.628 11.476 1.00 0.00 H new ATOM 0 HG LEU A 40 0.224 6.921 9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.431 7.863 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.354 9.066 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.648 9.106 10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.490 6.008 11.233 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.646 7.128 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.268 5.866 11.469 1.00 0.00 H new ATOM 286 N PRO A 41 -4.236 8.861 10.731 1.00 0.00 N ATOM 287 CA PRO A 41 -5.369 9.749 10.534 1.00 0.00 C ATOM 288 C PRO A 41 -4.912 11.204 10.420 1.00 0.00 C ATOM 289 O PRO A 41 -5.734 12.119 10.416 1.00 0.00 O ATOM 290 CB PRO A 41 -6.275 9.503 11.730 1.00 0.00 C ATOM 291 CG PRO A 41 -5.404 8.835 12.782 1.00 0.00 C ATOM 292 CD PRO A 41 -4.123 8.376 12.104 1.00 0.00 C ATOM 0 HA PRO A 41 -5.900 9.553 9.602 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.691 10.439 12.104 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.117 8.866 11.458 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.180 9.531 13.590 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.925 7.987 13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.244 8.788 12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.026 7.291 12.134 1.00 0.00 H new ATOM 300 N ASP A 42 -3.601 11.374 10.331 1.00 0.00 N ATOM 301 CA ASP A 42 -3.024 12.703 10.218 1.00 0.00 C ATOM 302 C ASP A 42 -2.830 13.045 8.739 1.00 0.00 C ATOM 303 O ASP A 42 -2.880 14.214 8.357 1.00 0.00 O ATOM 304 CB ASP A 42 -1.657 12.770 10.902 1.00 0.00 C ATOM 305 CG ASP A 42 -1.653 13.448 12.273 1.00 0.00 C ATOM 306 OD1 ASP A 42 -1.642 14.698 12.288 1.00 0.00 O ATOM 307 OD2 ASP A 42 -1.660 12.701 13.275 1.00 0.00 O ATOM 0 H ASP A 42 -2.922 10.613 10.335 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.702 13.408 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.273 11.756 11.014 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.966 13.302 10.248 1.00 0.00 H new ATOM 312 N GLY A 43 -2.614 12.006 7.947 1.00 0.00 N ATOM 313 CA GLY A 43 -2.413 12.182 6.519 1.00 0.00 C ATOM 314 C GLY A 43 -1.023 11.699 6.097 1.00 0.00 C ATOM 315 O GLY A 43 -0.545 12.040 5.017 1.00 0.00 O ATOM 0 H GLY A 43 -2.574 11.038 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.176 11.630 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.531 13.234 6.258 1.00 0.00 H new ATOM 319 N THR A 44 -0.415 10.912 6.973 1.00 0.00 N ATOM 320 CA THR A 44 0.910 10.379 6.705 1.00 0.00 C ATOM 321 C THR A 44 0.876 8.849 6.691 1.00 0.00 C ATOM 322 O THR A 44 0.231 8.231 7.536 1.00 0.00 O ATOM 323 CB THR A 44 1.872 10.956 7.745 1.00 0.00 C ATOM 324 OG1 THR A 44 2.340 12.164 7.153 1.00 0.00 O ATOM 325 CG2 THR A 44 3.134 10.108 7.910 1.00 0.00 C ATOM 0 H THR A 44 -0.815 10.631 7.868 1.00 0.00 H new ATOM 0 HA THR A 44 1.263 10.674 5.717 1.00 0.00 H new ATOM 0 HB THR A 44 1.362 11.037 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.969 12.605 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.782 10.562 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.858 9.103 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.663 10.053 6.958 1.00 0.00 H new ATOM 333 N VAL A 45 1.579 8.283 5.721 1.00 0.00 N ATOM 334 CA VAL A 45 1.638 6.837 5.585 1.00 0.00 C ATOM 335 C VAL A 45 3.078 6.367 5.800 1.00 0.00 C ATOM 336 O VAL A 45 3.999 7.181 5.853 1.00 0.00 O ATOM 337 CB VAL A 45 1.066 6.415 4.230 1.00 0.00 C ATOM 338 CG1 VAL A 45 0.619 4.952 4.256 1.00 0.00 C ATOM 339 CG2 VAL A 45 -0.084 7.332 3.810 1.00 0.00 C ATOM 0 H VAL A 45 2.113 8.799 5.022 1.00 0.00 H new ATOM 0 HA VAL A 45 1.023 6.356 6.346 1.00 0.00 H new ATOM 0 HB VAL A 45 1.858 6.511 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.216 4.677 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.472 4.315 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.151 4.820 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.472 7.010 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.879 7.284 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.278 8.357 3.732 1.00 0.00 H new ATOM 349 N ASP A 46 3.227 5.056 5.917 1.00 0.00 N ATOM 350 CA ASP A 46 4.540 4.468 6.124 1.00 0.00 C ATOM 351 C ASP A 46 4.383 2.978 6.434 1.00 0.00 C ATOM 352 O ASP A 46 3.288 2.428 6.320 1.00 0.00 O ATOM 353 CB ASP A 46 5.257 5.124 7.306 1.00 0.00 C ATOM 354 CG ASP A 46 4.372 6.003 8.192 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.185 5.642 8.344 1.00 0.00 O ATOM 356 OD2 ASP A 46 4.903 7.016 8.697 1.00 0.00 O ATOM 0 H ASP A 46 2.461 4.384 5.872 1.00 0.00 H new ATOM 0 HA ASP A 46 5.125 4.621 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.700 4.342 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.078 5.730 6.923 1.00 0.00 H new ATOM 361 N GLY A 47 5.493 2.366 6.820 1.00 0.00 N ATOM 362 CA GLY A 47 5.493 0.951 7.147 1.00 0.00 C ATOM 363 C GLY A 47 6.106 0.707 8.528 1.00 0.00 C ATOM 364 O GLY A 47 6.910 1.507 9.004 1.00 0.00 O ATOM 0 H GLY A 47 6.399 2.825 6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.472 0.569 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.055 0.400 6.393 1.00 0.00 H new ATOM 368 N THR A 48 5.702 -0.401 9.132 1.00 0.00 N ATOM 369 CA THR A 48 6.202 -0.760 10.448 1.00 0.00 C ATOM 370 C THR A 48 6.708 -2.204 10.451 1.00 0.00 C ATOM 371 O THR A 48 5.965 -3.127 10.119 1.00 0.00 O ATOM 372 CB THR A 48 5.085 -0.506 11.463 1.00 0.00 C ATOM 373 OG1 THR A 48 4.873 0.902 11.400 1.00 0.00 O ATOM 374 CG2 THR A 48 5.537 -0.750 12.904 1.00 0.00 C ATOM 0 H THR A 48 5.034 -1.062 8.734 1.00 0.00 H new ATOM 0 HA THR A 48 7.060 -0.148 10.726 1.00 0.00 H new ATOM 0 HB THR A 48 4.235 -1.149 11.235 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.642 1.366 11.791 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.707 -0.556 13.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.861 -1.785 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.366 -0.083 13.143 1.00 0.00 H new ATOM 382 N ARG A 49 7.969 -2.355 10.830 1.00 0.00 N ATOM 383 CA ARG A 49 8.583 -3.670 10.880 1.00 0.00 C ATOM 384 C ARG A 49 7.602 -4.692 11.458 1.00 0.00 C ATOM 385 O ARG A 49 7.551 -5.835 11.005 1.00 0.00 O ATOM 386 CB ARG A 49 9.852 -3.653 11.734 1.00 0.00 C ATOM 387 CG ARG A 49 10.612 -4.976 11.613 1.00 0.00 C ATOM 388 CD ARG A 49 10.572 -5.754 12.929 1.00 0.00 C ATOM 389 NE ARG A 49 11.910 -6.309 13.230 1.00 0.00 N ATOM 390 CZ ARG A 49 12.127 -7.336 14.064 1.00 0.00 C ATOM 391 NH1 ARG A 49 11.096 -7.924 14.685 1.00 0.00 N ATOM 392 NH2 ARG A 49 13.376 -7.773 14.277 1.00 0.00 N ATOM 0 H ARG A 49 8.582 -1.588 11.105 1.00 0.00 H new ATOM 0 HA ARG A 49 8.848 -3.951 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.495 -2.830 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.591 -3.474 12.777 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.175 -5.579 10.817 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.647 -4.780 11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.251 -5.099 13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.841 -6.560 12.862 1.00 0.00 H new ATOM 0 HE ARG A 49 12.718 -5.884 12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.146 -7.590 14.523 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.261 -8.705 15.319 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.161 -7.324 13.805 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.542 -8.554 14.911 1.00 0.00 H new ATOM 406 N ASP A 50 6.847 -4.244 12.450 1.00 0.00 N ATOM 407 CA ASP A 50 5.870 -5.106 13.095 1.00 0.00 C ATOM 408 C ASP A 50 4.640 -4.279 13.475 1.00 0.00 C ATOM 409 O ASP A 50 4.756 -3.266 14.162 1.00 0.00 O ATOM 410 CB ASP A 50 6.439 -5.722 14.375 1.00 0.00 C ATOM 411 CG ASP A 50 7.080 -7.100 14.199 1.00 0.00 C ATOM 412 OD1 ASP A 50 6.433 -7.948 13.548 1.00 0.00 O ATOM 413 OD2 ASP A 50 8.203 -7.274 14.720 1.00 0.00 O ATOM 0 H ASP A 50 6.892 -3.296 12.823 1.00 0.00 H new ATOM 0 HA ASP A 50 5.609 -5.902 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.184 -5.042 14.788 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.638 -5.802 15.110 1.00 0.00 H new ATOM 418 N ARG A 51 3.488 -4.743 13.010 1.00 0.00 N ATOM 419 CA ARG A 51 2.238 -4.059 13.293 1.00 0.00 C ATOM 420 C ARG A 51 2.105 -3.793 14.793 1.00 0.00 C ATOM 421 O ARG A 51 1.809 -4.704 15.565 1.00 0.00 O ATOM 422 CB ARG A 51 1.040 -4.885 12.820 1.00 0.00 C ATOM 423 CG ARG A 51 1.005 -6.248 13.515 1.00 0.00 C ATOM 424 CD ARG A 51 0.952 -7.384 12.492 1.00 0.00 C ATOM 425 NE ARG A 51 0.141 -8.504 13.021 1.00 0.00 N ATOM 426 CZ ARG A 51 0.276 -9.779 12.631 1.00 0.00 C ATOM 427 NH1 ARG A 51 1.191 -10.104 11.708 1.00 0.00 N ATOM 428 NH2 ARG A 51 -0.504 -10.728 13.165 1.00 0.00 N ATOM 0 H ARG A 51 3.395 -5.584 12.440 1.00 0.00 H new ATOM 0 HA ARG A 51 2.249 -3.112 12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.117 -4.344 13.026 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.093 -5.025 11.740 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.887 -6.362 14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.136 -6.304 14.171 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.523 -7.023 11.557 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.961 -7.729 12.267 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.565 -8.292 13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.785 -9.381 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.294 -11.074 11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.200 -10.480 13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.402 -11.699 12.869 1.00 0.00 H new ATOM 442 N SER A 52 2.332 -2.541 15.162 1.00 0.00 N ATOM 443 CA SER A 52 2.241 -2.143 16.557 1.00 0.00 C ATOM 444 C SER A 52 1.934 -0.648 16.656 1.00 0.00 C ATOM 445 O SER A 52 2.682 0.103 17.280 1.00 0.00 O ATOM 446 CB SER A 52 3.534 -2.471 17.308 1.00 0.00 C ATOM 447 OG SER A 52 4.506 -1.437 17.173 1.00 0.00 O ATOM 0 H SER A 52 2.579 -1.789 14.519 1.00 0.00 H new ATOM 0 HA SER A 52 1.430 -2.705 17.021 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.311 -2.624 18.364 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.945 -3.407 16.930 1.00 0.00 H new ATOM 0 HG SER A 52 4.177 -0.621 17.604 1.00 0.00 H new ATOM 453 N ASP A 53 0.832 -0.260 16.031 1.00 0.00 N ATOM 454 CA ASP A 53 0.416 1.132 16.041 1.00 0.00 C ATOM 455 C ASP A 53 -1.049 1.220 16.472 1.00 0.00 C ATOM 456 O ASP A 53 -1.620 0.238 16.945 1.00 0.00 O ATOM 457 CB ASP A 53 0.537 1.753 14.648 1.00 0.00 C ATOM 458 CG ASP A 53 1.253 3.104 14.602 1.00 0.00 C ATOM 459 OD1 ASP A 53 2.204 3.270 15.397 1.00 0.00 O ATOM 460 OD2 ASP A 53 0.833 3.941 13.774 1.00 0.00 O ATOM 0 H ASP A 53 0.214 -0.886 15.514 1.00 0.00 H new ATOM 0 HA ASP A 53 1.062 1.671 16.734 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.068 1.055 14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.463 1.875 14.233 1.00 0.00 H new ATOM 465 N GLN A 54 -1.615 2.404 16.294 1.00 0.00 N ATOM 466 CA GLN A 54 -3.003 2.632 16.658 1.00 0.00 C ATOM 467 C GLN A 54 -3.934 2.060 15.588 1.00 0.00 C ATOM 468 O GLN A 54 -4.958 1.458 15.908 1.00 0.00 O ATOM 469 CB GLN A 54 -3.274 4.122 16.881 1.00 0.00 C ATOM 470 CG GLN A 54 -2.131 4.975 16.327 1.00 0.00 C ATOM 471 CD GLN A 54 -2.018 4.821 14.809 1.00 0.00 C ATOM 472 OE1 GLN A 54 -1.660 3.776 14.290 1.00 0.00 O ATOM 473 NE2 GLN A 54 -2.340 5.917 14.128 1.00 0.00 N ATOM 0 H GLN A 54 -1.138 3.216 15.902 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.201 2.115 17.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.209 4.402 16.397 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.396 4.318 17.946 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.299 6.022 16.578 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.192 4.681 16.797 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.632 6.759 14.625 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.295 5.916 13.109 1.00 0.00 H new ATOM 482 N HIS A 55 -3.546 2.267 14.339 1.00 0.00 N ATOM 483 CA HIS A 55 -4.333 1.778 13.219 1.00 0.00 C ATOM 484 C HIS A 55 -3.450 1.684 11.973 1.00 0.00 C ATOM 485 O HIS A 55 -3.173 2.692 11.326 1.00 0.00 O ATOM 486 CB HIS A 55 -5.571 2.652 13.003 1.00 0.00 C ATOM 487 CG HIS A 55 -5.601 3.896 13.858 1.00 0.00 C ATOM 488 ND1 HIS A 55 -4.761 4.975 13.642 1.00 0.00 N ATOM 489 CD2 HIS A 55 -6.378 4.222 14.931 1.00 0.00 C ATOM 490 CE1 HIS A 55 -5.029 5.902 14.550 1.00 0.00 C ATOM 491 NE2 HIS A 55 -6.031 5.433 15.348 1.00 0.00 N ATOM 0 H HIS A 55 -2.696 2.767 14.077 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.700 0.775 13.438 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.619 2.943 11.954 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.462 2.059 13.210 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.146 3.600 15.367 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.540 6.861 14.642 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -6.445 5.931 16.136 1.00 0.00 H new ATOM 499 N ILE A 56 -3.032 0.462 11.675 1.00 0.00 N ATOM 500 CA ILE A 56 -2.186 0.222 10.519 1.00 0.00 C ATOM 501 C ILE A 56 -2.904 -0.723 9.554 1.00 0.00 C ATOM 502 O ILE A 56 -2.308 -1.205 8.592 1.00 0.00 O ATOM 503 CB ILE A 56 -0.808 -0.277 10.957 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.878 -1.729 11.437 1.00 0.00 C ATOM 505 CG2 ILE A 56 -0.200 0.647 12.014 1.00 0.00 C ATOM 506 CD1 ILE A 56 -1.001 -2.692 10.255 1.00 0.00 C ATOM 0 H ILE A 56 -3.264 -0.372 12.214 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.006 1.152 9.980 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.146 -0.255 10.091 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.015 -1.968 12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.731 -1.855 12.103 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.779 0.269 12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.093 1.650 11.602 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.852 0.681 12.886 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.049 -3.717 10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.908 -2.466 9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.134 -2.581 9.604 1.00 0.00 H new ATOM 518 N GLN A 57 -4.175 -0.959 9.844 1.00 0.00 N ATOM 519 CA GLN A 57 -4.981 -1.838 9.014 1.00 0.00 C ATOM 520 C GLN A 57 -5.017 -1.322 7.574 1.00 0.00 C ATOM 521 O GLN A 57 -4.877 -0.124 7.336 1.00 0.00 O ATOM 522 CB GLN A 57 -6.395 -1.982 9.580 1.00 0.00 C ATOM 523 CG GLN A 57 -6.369 -2.637 10.962 1.00 0.00 C ATOM 524 CD GLN A 57 -6.270 -1.582 12.067 1.00 0.00 C ATOM 525 OE1 GLN A 57 -5.419 -0.708 12.052 1.00 0.00 O ATOM 526 NE2 GLN A 57 -7.187 -1.712 13.022 1.00 0.00 N ATOM 0 H GLN A 57 -4.667 -0.557 10.642 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.523 -2.827 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.865 -1.001 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.003 -2.581 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.271 -3.233 11.103 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.522 -3.320 11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.871 -2.467 12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.206 -1.056 13.803 1.00 0.00 H new ATOM 535 N LEU A 58 -5.206 -2.254 6.650 1.00 0.00 N ATOM 536 CA LEU A 58 -5.262 -1.908 5.240 1.00 0.00 C ATOM 537 C LEU A 58 -6.266 -2.822 4.535 1.00 0.00 C ATOM 538 O LEU A 58 -6.851 -3.706 5.159 1.00 0.00 O ATOM 539 CB LEU A 58 -3.862 -1.943 4.624 1.00 0.00 C ATOM 540 CG LEU A 58 -2.900 -0.845 5.084 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.829 -1.412 6.019 1.00 0.00 C ATOM 542 CD2 LEU A 58 -2.287 -0.116 3.887 1.00 0.00 C ATOM 0 H LEU A 58 -5.322 -3.247 6.851 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.616 -0.885 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.412 -2.910 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.962 -1.881 3.540 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.468 -0.109 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.158 -0.612 6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.306 -1.849 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.259 -2.180 5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.608 0.659 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.736 -0.827 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.080 0.340 3.294 1.00 0.00 H new ATOM 554 N GLN A 59 -6.435 -2.578 3.244 1.00 0.00 N ATOM 555 CA GLN A 59 -7.359 -3.368 2.447 1.00 0.00 C ATOM 556 C GLN A 59 -7.323 -2.914 0.987 1.00 0.00 C ATOM 557 O GLN A 59 -7.002 -1.762 0.699 1.00 0.00 O ATOM 558 CB GLN A 59 -8.778 -3.287 3.012 1.00 0.00 C ATOM 559 CG GLN A 59 -9.653 -4.415 2.462 1.00 0.00 C ATOM 560 CD GLN A 59 -9.107 -5.784 2.876 1.00 0.00 C ATOM 561 OE1 GLN A 59 -8.123 -6.274 2.347 1.00 0.00 O ATOM 562 NE2 GLN A 59 -9.799 -6.370 3.849 1.00 0.00 N ATOM 0 H GLN A 59 -5.948 -1.844 2.730 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.045 -4.411 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.744 -3.346 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.220 -2.323 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.673 -4.300 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.696 -4.350 1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.614 -5.903 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.515 -7.286 4.197 1.00 0.00 H new ATOM 571 N LEU A 60 -7.658 -3.842 0.103 1.00 0.00 N ATOM 572 CA LEU A 60 -7.668 -3.552 -1.320 1.00 0.00 C ATOM 573 C LEU A 60 -9.107 -3.612 -1.838 1.00 0.00 C ATOM 574 O LEU A 60 -9.990 -4.146 -1.169 1.00 0.00 O ATOM 575 CB LEU A 60 -6.708 -4.482 -2.064 1.00 0.00 C ATOM 576 CG LEU A 60 -5.872 -5.420 -1.191 1.00 0.00 C ATOM 577 CD1 LEU A 60 -5.306 -6.578 -2.016 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.774 -4.651 -0.455 1.00 0.00 C ATOM 0 H LEU A 60 -7.925 -4.796 0.345 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.303 -2.542 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.287 -5.087 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.030 -3.871 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.525 -5.853 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.716 -7.230 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.126 -7.147 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.673 -6.183 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.195 -5.341 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.117 -4.171 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.227 -3.892 0.183 1.00 0.00 H new ATOM 590 N SER A 61 -9.298 -3.056 -3.026 1.00 0.00 N ATOM 591 CA SER A 61 -10.614 -3.040 -3.641 1.00 0.00 C ATOM 592 C SER A 61 -10.483 -3.164 -5.161 1.00 0.00 C ATOM 593 O SER A 61 -10.972 -2.313 -5.901 1.00 0.00 O ATOM 594 CB SER A 61 -11.377 -1.765 -3.277 1.00 0.00 C ATOM 595 OG SER A 61 -12.421 -1.484 -4.205 1.00 0.00 O ATOM 0 H SER A 61 -8.563 -2.614 -3.578 1.00 0.00 H new ATOM 0 HA SER A 61 -11.179 -3.891 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.799 -1.868 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.684 -0.924 -3.246 1.00 0.00 H new ATOM 0 HG SER A 61 -12.055 -1.469 -5.114 1.00 0.00 H new ATOM 601 N ALA A 62 -9.820 -4.232 -5.580 1.00 0.00 N ATOM 602 CA ALA A 62 -9.618 -4.479 -6.998 1.00 0.00 C ATOM 603 C ALA A 62 -10.893 -4.113 -7.761 1.00 0.00 C ATOM 604 O ALA A 62 -11.980 -4.573 -7.417 1.00 0.00 O ATOM 605 CB ALA A 62 -9.211 -5.938 -7.209 1.00 0.00 C ATOM 0 H ALA A 62 -9.416 -4.936 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.811 -3.856 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.060 -6.123 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.285 -6.139 -6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.998 -6.593 -6.835 1.00 0.00 H new ATOM 611 N GLU A 63 -10.716 -3.288 -8.783 1.00 0.00 N ATOM 612 CA GLU A 63 -11.839 -2.855 -9.597 1.00 0.00 C ATOM 613 C GLU A 63 -11.644 -3.300 -11.048 1.00 0.00 C ATOM 614 O GLU A 63 -12.505 -3.063 -11.895 1.00 0.00 O ATOM 615 CB GLU A 63 -12.027 -1.339 -9.510 1.00 0.00 C ATOM 616 CG GLU A 63 -10.940 -0.605 -10.297 1.00 0.00 C ATOM 617 CD GLU A 63 -11.539 0.147 -11.488 1.00 0.00 C ATOM 618 OE1 GLU A 63 -12.716 0.550 -11.370 1.00 0.00 O ATOM 619 OE2 GLU A 63 -10.806 0.302 -12.488 1.00 0.00 O ATOM 0 H GLU A 63 -9.812 -2.908 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.745 -3.323 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.008 -1.068 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.000 -1.025 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.423 0.096 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.196 -1.319 -10.650 1.00 0.00 H new ATOM 626 N SER A 64 -10.509 -3.938 -11.291 1.00 0.00 N ATOM 627 CA SER A 64 -10.191 -4.418 -12.625 1.00 0.00 C ATOM 628 C SER A 64 -8.682 -4.633 -12.758 1.00 0.00 C ATOM 629 O SER A 64 -7.891 -3.808 -12.302 1.00 0.00 O ATOM 630 CB SER A 64 -10.684 -3.442 -13.694 1.00 0.00 C ATOM 631 OG SER A 64 -11.874 -3.901 -14.329 1.00 0.00 O ATOM 0 H SER A 64 -9.798 -4.134 -10.587 1.00 0.00 H new ATOM 0 HA SER A 64 -10.702 -5.369 -12.777 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.868 -2.469 -13.239 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.905 -3.301 -14.443 1.00 0.00 H new ATOM 0 HG SER A 64 -12.635 -3.784 -13.722 1.00 0.00 H new ATOM 637 N VAL A 65 -8.327 -5.745 -13.384 1.00 0.00 N ATOM 638 CA VAL A 65 -6.927 -6.079 -13.583 1.00 0.00 C ATOM 639 C VAL A 65 -6.166 -4.826 -14.019 1.00 0.00 C ATOM 640 O VAL A 65 -6.651 -4.058 -14.849 1.00 0.00 O ATOM 641 CB VAL A 65 -6.800 -7.233 -14.579 1.00 0.00 C ATOM 642 CG1 VAL A 65 -6.884 -8.584 -13.867 1.00 0.00 C ATOM 643 CG2 VAL A 65 -7.859 -7.127 -15.679 1.00 0.00 C ATOM 0 H VAL A 65 -8.985 -6.427 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.480 -6.423 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.819 -7.162 -15.049 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.791 -9.387 -14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.077 -8.662 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.844 -8.667 -13.357 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.747 -7.959 -16.374 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.853 -7.159 -15.232 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.733 -6.187 -16.216 1.00 0.00 H new ATOM 653 N GLY A 66 -4.986 -4.658 -13.441 1.00 0.00 N ATOM 654 CA GLY A 66 -4.152 -3.511 -13.760 1.00 0.00 C ATOM 655 C GLY A 66 -4.731 -2.229 -13.158 1.00 0.00 C ATOM 656 O GLY A 66 -4.281 -1.130 -13.480 1.00 0.00 O ATOM 0 H GLY A 66 -4.587 -5.297 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.144 -3.673 -13.379 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.071 -3.405 -14.842 1.00 0.00 H new ATOM 660 N GLU A 67 -5.719 -2.412 -12.294 1.00 0.00 N ATOM 661 CA GLU A 67 -6.363 -1.283 -11.644 1.00 0.00 C ATOM 662 C GLU A 67 -7.158 -1.756 -10.426 1.00 0.00 C ATOM 663 O GLU A 67 -8.236 -2.330 -10.569 1.00 0.00 O ATOM 664 CB GLU A 67 -7.260 -0.525 -12.624 1.00 0.00 C ATOM 665 CG GLU A 67 -6.951 0.973 -12.604 1.00 0.00 C ATOM 666 CD GLU A 67 -7.516 1.667 -13.845 1.00 0.00 C ATOM 667 OE1 GLU A 67 -6.885 1.520 -14.914 1.00 0.00 O ATOM 668 OE2 GLU A 67 -8.567 2.328 -13.697 1.00 0.00 O ATOM 0 H GLU A 67 -6.089 -3.325 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.590 -0.594 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.116 -0.916 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.306 -0.688 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.375 1.423 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.873 1.125 -12.558 1.00 0.00 H new ATOM 675 N VAL A 68 -6.596 -1.496 -9.255 1.00 0.00 N ATOM 676 CA VAL A 68 -7.239 -1.888 -8.012 1.00 0.00 C ATOM 677 C VAL A 68 -7.274 -0.690 -7.061 1.00 0.00 C ATOM 678 O VAL A 68 -6.606 0.315 -7.298 1.00 0.00 O ATOM 679 CB VAL A 68 -6.528 -3.104 -7.415 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.665 -4.323 -8.330 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.056 -2.794 -7.132 1.00 0.00 C ATOM 0 H VAL A 68 -5.702 -1.018 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.271 -2.189 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.009 -3.341 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.151 -5.174 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.720 -4.564 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.222 -4.101 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.574 -3.675 -6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.557 -2.519 -8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.988 -1.967 -6.425 1.00 0.00 H new ATOM 691 N TYR A 69 -8.060 -0.836 -6.005 1.00 0.00 N ATOM 692 CA TYR A 69 -8.191 0.221 -5.017 1.00 0.00 C ATOM 693 C TYR A 69 -7.671 -0.235 -3.653 1.00 0.00 C ATOM 694 O TYR A 69 -7.394 -1.417 -3.454 1.00 0.00 O ATOM 695 CB TYR A 69 -9.690 0.512 -4.907 1.00 0.00 C ATOM 696 CG TYR A 69 -10.181 1.613 -5.848 1.00 0.00 C ATOM 697 CD1 TYR A 69 -10.054 2.939 -5.486 1.00 0.00 C ATOM 698 CD2 TYR A 69 -10.752 1.281 -7.060 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.516 3.975 -6.372 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.215 2.317 -7.946 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.074 3.613 -7.558 1.00 0.00 C ATOM 702 OH TYR A 69 -11.511 4.592 -8.395 1.00 0.00 O ATOM 0 H TYR A 69 -8.613 -1.671 -5.812 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.615 1.097 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.244 -0.404 -5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.920 0.797 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.608 3.199 -4.538 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.851 0.244 -7.344 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.422 5.016 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.664 2.071 -8.897 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.885 4.187 -9.205 1.00 0.00 H new ATOM 712 N ILE A 70 -7.552 0.727 -2.749 1.00 0.00 N ATOM 713 CA ILE A 70 -7.069 0.438 -1.409 1.00 0.00 C ATOM 714 C ILE A 70 -7.756 1.374 -0.412 1.00 0.00 C ATOM 715 O ILE A 70 -7.716 2.593 -0.570 1.00 0.00 O ATOM 716 CB ILE A 70 -5.542 0.506 -1.364 1.00 0.00 C ATOM 717 CG1 ILE A 70 -4.918 -0.639 -2.164 1.00 0.00 C ATOM 718 CG2 ILE A 70 -5.036 0.538 0.080 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.399 -0.480 -2.256 1.00 0.00 C ATOM 0 H ILE A 70 -7.782 1.706 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.328 -0.581 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.228 1.437 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.160 -1.591 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.346 -0.663 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.947 0.586 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.439 1.414 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.361 -0.364 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.981 -1.307 -2.830 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.161 0.462 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.972 -0.481 -1.253 1.00 0.00 H new ATOM 731 N LYS A 71 -8.370 0.767 0.593 1.00 0.00 N ATOM 732 CA LYS A 71 -9.065 1.531 1.616 1.00 0.00 C ATOM 733 C LYS A 71 -8.651 1.019 2.997 1.00 0.00 C ATOM 734 O LYS A 71 -8.957 -0.115 3.361 1.00 0.00 O ATOM 735 CB LYS A 71 -10.576 1.498 1.376 1.00 0.00 C ATOM 736 CG LYS A 71 -11.244 2.766 1.912 1.00 0.00 C ATOM 737 CD LYS A 71 -12.200 2.438 3.060 1.00 0.00 C ATOM 738 CE LYS A 71 -11.431 2.184 4.358 1.00 0.00 C ATOM 739 NZ LYS A 71 -10.363 3.193 4.534 1.00 0.00 N ATOM 0 H LYS A 71 -8.401 -0.244 0.721 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.780 2.582 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.776 1.400 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.006 0.623 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.482 3.465 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.790 3.261 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.899 3.262 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.792 1.559 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.115 2.219 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.996 1.185 4.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.975 3.124 5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.605 3.021 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.757 4.144 4.387 1.00 0.00 H new ATOM 753 N SER A 72 -7.961 1.882 3.730 1.00 0.00 N ATOM 754 CA SER A 72 -7.502 1.532 5.063 1.00 0.00 C ATOM 755 C SER A 72 -8.697 1.394 6.009 1.00 0.00 C ATOM 756 O SER A 72 -8.901 2.235 6.883 1.00 0.00 O ATOM 757 CB SER A 72 -6.518 2.574 5.598 1.00 0.00 C ATOM 758 OG SER A 72 -5.584 2.007 6.512 1.00 0.00 O ATOM 0 H SER A 72 -7.709 2.822 3.425 1.00 0.00 H new ATOM 0 HA SER A 72 -6.981 0.576 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.981 3.026 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.070 3.373 6.093 1.00 0.00 H new ATOM 0 HG SER A 72 -5.594 1.031 6.426 1.00 0.00 H new ATOM 764 N THR A 73 -9.455 0.328 5.802 1.00 0.00 N ATOM 765 CA THR A 73 -10.624 0.069 6.625 1.00 0.00 C ATOM 766 C THR A 73 -10.257 0.140 8.109 1.00 0.00 C ATOM 767 O THR A 73 -9.887 -0.868 8.709 1.00 0.00 O ATOM 768 CB THR A 73 -11.208 -1.281 6.207 1.00 0.00 C ATOM 769 OG1 THR A 73 -12.446 -1.356 6.908 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.400 -2.462 6.751 1.00 0.00 C ATOM 0 H THR A 73 -9.282 -0.367 5.076 1.00 0.00 H new ATOM 0 HA THR A 73 -11.390 0.830 6.475 1.00 0.00 H new ATOM 0 HB THR A 73 -11.248 -1.338 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.893 -2.201 6.693 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.857 -3.396 6.425 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.378 -2.408 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.389 -2.424 7.840 1.00 0.00 H new ATOM 778 N GLU A 74 -10.374 1.340 8.658 1.00 0.00 N ATOM 779 CA GLU A 74 -10.059 1.556 10.060 1.00 0.00 C ATOM 780 C GLU A 74 -9.780 3.037 10.320 1.00 0.00 C ATOM 781 O GLU A 74 -9.956 3.519 11.438 1.00 0.00 O ATOM 782 CB GLU A 74 -8.875 0.690 10.496 1.00 0.00 C ATOM 783 CG GLU A 74 -9.352 -0.543 11.266 1.00 0.00 C ATOM 784 CD GLU A 74 -9.483 -0.240 12.760 1.00 0.00 C ATOM 785 OE1 GLU A 74 -8.570 0.433 13.284 1.00 0.00 O ATOM 786 OE2 GLU A 74 -10.493 -0.689 13.343 1.00 0.00 O ATOM 0 H GLU A 74 -10.683 2.173 8.157 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.922 1.260 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.306 0.379 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.202 1.276 11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.314 -0.872 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.649 -1.363 11.118 1.00 0.00 H new ATOM 793 N THR A 75 -9.349 3.719 9.269 1.00 0.00 N ATOM 794 CA THR A 75 -9.043 5.136 9.369 1.00 0.00 C ATOM 795 C THR A 75 -10.100 5.962 8.634 1.00 0.00 C ATOM 796 O THR A 75 -10.368 7.104 9.004 1.00 0.00 O ATOM 797 CB THR A 75 -7.625 5.352 8.839 1.00 0.00 C ATOM 798 OG1 THR A 75 -6.816 4.508 9.654 1.00 0.00 O ATOM 799 CG2 THR A 75 -7.101 6.761 9.127 1.00 0.00 C ATOM 0 H THR A 75 -9.204 3.316 8.343 1.00 0.00 H new ATOM 0 HA THR A 75 -9.073 5.476 10.404 1.00 0.00 H new ATOM 0 HB THR A 75 -7.608 5.170 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.083 5.031 10.040 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.091 6.862 8.730 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.752 7.495 8.653 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.086 6.931 10.204 1.00 0.00 H new ATOM 807 N GLY A 76 -10.671 5.354 7.605 1.00 0.00 N ATOM 808 CA GLY A 76 -11.692 6.019 6.814 1.00 0.00 C ATOM 809 C GLY A 76 -11.067 6.793 5.651 1.00 0.00 C ATOM 810 O GLY A 76 -11.719 7.642 5.045 1.00 0.00 O ATOM 0 H GLY A 76 -10.446 4.407 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.396 5.282 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.260 6.701 7.446 1.00 0.00 H new ATOM 814 N GLN A 77 -9.812 6.472 5.375 1.00 0.00 N ATOM 815 CA GLN A 77 -9.092 7.126 4.296 1.00 0.00 C ATOM 816 C GLN A 77 -8.802 6.130 3.171 1.00 0.00 C ATOM 817 O GLN A 77 -9.281 4.997 3.201 1.00 0.00 O ATOM 818 CB GLN A 77 -7.800 7.766 4.807 1.00 0.00 C ATOM 819 CG GLN A 77 -7.816 9.281 4.589 1.00 0.00 C ATOM 820 CD GLN A 77 -6.664 9.954 5.339 1.00 0.00 C ATOM 821 OE1 GLN A 77 -5.824 10.627 4.764 1.00 0.00 O ATOM 822 NE2 GLN A 77 -6.671 9.736 6.651 1.00 0.00 N ATOM 0 H GLN A 77 -9.275 5.767 5.880 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.720 7.923 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.677 7.549 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.945 7.330 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.739 9.500 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.766 9.691 4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.404 9.163 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.944 10.142 7.239 1.00 0.00 H new ATOM 831 N TYR A 78 -8.020 6.589 2.205 1.00 0.00 N ATOM 832 CA TYR A 78 -7.660 5.752 1.072 1.00 0.00 C ATOM 833 C TYR A 78 -6.156 5.816 0.799 1.00 0.00 C ATOM 834 O TYR A 78 -5.519 6.838 1.049 1.00 0.00 O ATOM 835 CB TYR A 78 -8.410 6.327 -0.131 1.00 0.00 C ATOM 836 CG TYR A 78 -9.838 5.799 -0.285 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.063 4.592 -0.916 1.00 0.00 C ATOM 838 CD2 TYR A 78 -10.900 6.529 0.207 1.00 0.00 C ATOM 839 CE1 TYR A 78 -11.407 4.095 -1.061 1.00 0.00 C ATOM 840 CE2 TYR A 78 -12.244 6.032 0.062 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.431 4.840 -0.565 1.00 0.00 C ATOM 842 OH TYR A 78 -13.700 4.371 -0.701 1.00 0.00 O ATOM 0 H TYR A 78 -7.626 7.529 2.183 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.917 4.711 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.443 7.413 -0.040 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.850 6.100 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.231 4.020 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.724 7.473 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.597 3.152 -1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.084 6.593 0.443 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.328 5.007 -0.299 1.00 0.00 H new ATOM 852 N LEU A 79 -5.633 4.710 0.290 1.00 0.00 N ATOM 853 CA LEU A 79 -4.215 4.628 -0.020 1.00 0.00 C ATOM 854 C LEU A 79 -3.974 5.167 -1.431 1.00 0.00 C ATOM 855 O LEU A 79 -4.437 4.584 -2.410 1.00 0.00 O ATOM 856 CB LEU A 79 -3.704 3.201 0.189 1.00 0.00 C ATOM 857 CG LEU A 79 -2.214 3.063 0.509 1.00 0.00 C ATOM 858 CD1 LEU A 79 -1.806 4.009 1.640 1.00 0.00 C ATOM 859 CD2 LEU A 79 -1.852 1.609 0.818 1.00 0.00 C ATOM 0 H LEU A 79 -6.165 3.864 0.085 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.638 5.252 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.273 2.747 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.917 2.624 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.646 3.355 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.742 3.891 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.005 5.039 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.379 3.773 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.788 1.539 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.427 1.266 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.083 0.985 -0.045 1.00 0.00 H new ATOM 871 N ALA A 80 -3.249 6.274 -1.491 1.00 0.00 N ATOM 872 CA ALA A 80 -2.941 6.899 -2.767 1.00 0.00 C ATOM 873 C ALA A 80 -1.474 7.335 -2.774 1.00 0.00 C ATOM 874 O ALA A 80 -0.812 7.316 -1.738 1.00 0.00 O ATOM 875 CB ALA A 80 -3.898 8.068 -3.008 1.00 0.00 C ATOM 0 H ALA A 80 -2.866 6.755 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.079 6.192 -3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.667 8.536 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.924 7.701 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.786 8.801 -2.209 1.00 0.00 H new ATOM 881 N MET A 81 -1.010 7.718 -3.955 1.00 0.00 N ATOM 882 CA MET A 81 0.366 8.158 -4.111 1.00 0.00 C ATOM 883 C MET A 81 0.437 9.458 -4.916 1.00 0.00 C ATOM 884 O MET A 81 0.381 9.435 -6.145 1.00 0.00 O ATOM 885 CB MET A 81 1.172 7.071 -4.824 1.00 0.00 C ATOM 886 CG MET A 81 2.545 6.891 -4.173 1.00 0.00 C ATOM 887 SD MET A 81 3.004 5.166 -4.182 1.00 0.00 S ATOM 888 CE MET A 81 4.732 5.307 -4.608 1.00 0.00 C ATOM 0 H MET A 81 -1.562 7.733 -4.812 1.00 0.00 H new ATOM 0 HA MET A 81 0.784 8.342 -3.121 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.625 6.129 -4.794 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.295 7.335 -5.874 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.291 7.477 -4.710 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.523 7.265 -3.149 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.944 4.687 -5.479 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.967 6.347 -4.837 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.342 4.974 -3.769 1.00 0.00 H new ATOM 898 N ASP A 82 0.562 10.559 -4.191 1.00 0.00 N ATOM 899 CA ASP A 82 0.642 11.866 -4.822 1.00 0.00 C ATOM 900 C ASP A 82 1.780 11.864 -5.844 1.00 0.00 C ATOM 901 O ASP A 82 2.572 10.925 -5.896 1.00 0.00 O ATOM 902 CB ASP A 82 0.933 12.958 -3.791 1.00 0.00 C ATOM 903 CG ASP A 82 -0.055 13.028 -2.626 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.250 13.262 -2.908 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.406 12.847 -1.478 1.00 0.00 O ATOM 0 H ASP A 82 0.610 10.574 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.316 12.069 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.934 12.800 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.942 13.923 -4.299 1.00 0.00 H new ATOM 910 N THR A 83 1.826 12.928 -6.633 1.00 0.00 N ATOM 911 CA THR A 83 2.854 13.061 -7.651 1.00 0.00 C ATOM 912 C THR A 83 4.243 13.063 -7.009 1.00 0.00 C ATOM 913 O THR A 83 5.249 12.905 -7.699 1.00 0.00 O ATOM 914 CB THR A 83 2.557 14.325 -8.460 1.00 0.00 C ATOM 915 OG1 THR A 83 2.003 15.227 -7.506 1.00 0.00 O ATOM 916 CG2 THR A 83 1.430 14.120 -9.475 1.00 0.00 C ATOM 0 H THR A 83 1.168 13.706 -6.588 1.00 0.00 H new ATOM 0 HA THR A 83 2.847 12.211 -8.334 1.00 0.00 H new ATOM 0 HB THR A 83 3.461 14.643 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.783 16.074 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.260 15.047 -10.022 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.709 13.332 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.517 13.834 -8.952 1.00 0.00 H new ATOM 924 N ASP A 84 4.253 13.244 -5.697 1.00 0.00 N ATOM 925 CA ASP A 84 5.501 13.269 -4.954 1.00 0.00 C ATOM 926 C ASP A 84 6.067 11.850 -4.869 1.00 0.00 C ATOM 927 O ASP A 84 7.240 11.663 -4.547 1.00 0.00 O ATOM 928 CB ASP A 84 5.284 13.778 -3.528 1.00 0.00 C ATOM 929 CG ASP A 84 5.212 15.300 -3.389 1.00 0.00 C ATOM 930 OD1 ASP A 84 5.979 15.973 -4.110 1.00 0.00 O ATOM 931 OD2 ASP A 84 4.392 15.756 -2.563 1.00 0.00 O ATOM 0 H ASP A 84 3.416 13.375 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 84 6.189 13.936 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.360 13.349 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.094 13.409 -2.899 1.00 0.00 H new ATOM 936 N GLY A 85 5.207 10.886 -5.162 1.00 0.00 N ATOM 937 CA GLY A 85 5.606 9.489 -5.123 1.00 0.00 C ATOM 938 C GLY A 85 5.616 8.962 -3.686 1.00 0.00 C ATOM 939 O GLY A 85 6.184 7.906 -3.413 1.00 0.00 O ATOM 0 H GLY A 85 4.235 11.045 -5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.921 8.894 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.597 9.378 -5.562 1.00 0.00 H new ATOM 943 N LEU A 86 4.981 9.723 -2.806 1.00 0.00 N ATOM 944 CA LEU A 86 4.910 9.346 -1.405 1.00 0.00 C ATOM 945 C LEU A 86 3.460 9.020 -1.042 1.00 0.00 C ATOM 946 O LEU A 86 2.599 9.899 -1.061 1.00 0.00 O ATOM 947 CB LEU A 86 5.536 10.431 -0.526 1.00 0.00 C ATOM 948 CG LEU A 86 6.059 9.972 0.837 1.00 0.00 C ATOM 949 CD1 LEU A 86 6.315 11.167 1.757 1.00 0.00 C ATOM 950 CD2 LEU A 86 5.111 8.952 1.472 1.00 0.00 C ATOM 0 H LEU A 86 4.511 10.599 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 86 5.495 8.444 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.361 10.885 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.793 11.212 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 86 7.016 9.472 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.686 10.813 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.056 11.824 1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.386 11.717 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.505 8.642 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.129 9.404 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.023 8.083 0.821 1.00 0.00 H new ATOM 962 N LEU A 87 3.234 7.755 -0.720 1.00 0.00 N ATOM 963 CA LEU A 87 1.903 7.303 -0.353 1.00 0.00 C ATOM 964 C LEU A 87 1.232 8.362 0.523 1.00 0.00 C ATOM 965 O LEU A 87 1.849 8.891 1.447 1.00 0.00 O ATOM 966 CB LEU A 87 1.968 5.919 0.297 1.00 0.00 C ATOM 967 CG LEU A 87 2.152 4.738 -0.658 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.623 4.571 -1.046 1.00 0.00 C ATOM 969 CD2 LEU A 87 1.567 3.455 -0.063 1.00 0.00 C ATOM 0 H LEU A 87 3.950 7.029 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 87 1.283 7.185 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.790 5.914 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.051 5.762 0.864 1.00 0.00 H new ATOM 0 HG LEU A 87 1.599 4.949 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.726 3.725 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.974 5.477 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.218 4.392 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.711 2.631 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.071 3.227 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.502 3.592 0.121 1.00 0.00 H new ATOM 981 N TYR A 88 -0.023 8.642 0.202 1.00 0.00 N ATOM 982 CA TYR A 88 -0.784 9.629 0.948 1.00 0.00 C ATOM 983 C TYR A 88 -2.279 9.304 0.921 1.00 0.00 C ATOM 984 O TYR A 88 -2.712 8.417 0.187 1.00 0.00 O ATOM 985 CB TYR A 88 -0.552 10.965 0.239 1.00 0.00 C ATOM 986 CG TYR A 88 -1.565 11.266 -0.868 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.550 10.529 -2.035 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.493 12.273 -0.699 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.503 10.813 -3.077 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.446 12.556 -1.740 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.404 11.812 -2.878 1.00 0.00 C ATOM 992 OH TYR A 88 -4.304 12.079 -3.862 1.00 0.00 O ATOM 0 H TYR A 88 -0.532 8.202 -0.565 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.468 9.649 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.586 11.767 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.450 10.968 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.824 9.740 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.504 12.849 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.502 10.245 -3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.178 13.341 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.908 12.701 -4.507 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.026 10.039 1.732 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.463 9.839 1.810 1.00 0.00 C ATOM 1004 C GLY A 89 -5.193 10.694 0.771 1.00 0.00 C ATOM 1005 O GLY A 89 -4.743 11.789 0.437 1.00 0.00 O ATOM 0 H GLY A 89 -2.663 10.773 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.697 8.787 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.816 10.095 2.809 1.00 0.00 H new ATOM 1009 N SER A 90 -6.307 10.161 0.290 1.00 0.00 N ATOM 1010 CA SER A 90 -7.103 10.862 -0.703 1.00 0.00 C ATOM 1011 C SER A 90 -8.588 10.560 -0.491 1.00 0.00 C ATOM 1012 O SER A 90 -9.027 9.426 -0.675 1.00 0.00 O ATOM 1013 CB SER A 90 -6.679 10.474 -2.121 1.00 0.00 C ATOM 1014 OG SER A 90 -6.942 11.513 -3.060 1.00 0.00 O ATOM 0 H SER A 90 -6.677 9.252 0.569 1.00 0.00 H new ATOM 0 HA SER A 90 -6.936 11.932 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.615 10.239 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.208 9.570 -2.423 1.00 0.00 H new ATOM 0 HG SER A 90 -6.098 11.820 -3.453 1.00 0.00 H new ATOM 1020 N GLN A 91 -9.320 11.595 -0.108 1.00 0.00 N ATOM 1021 CA GLN A 91 -10.746 11.456 0.131 1.00 0.00 C ATOM 1022 C GLN A 91 -11.502 11.376 -1.197 1.00 0.00 C ATOM 1023 O GLN A 91 -12.725 11.249 -1.213 1.00 0.00 O ATOM 1024 CB GLN A 91 -11.273 12.604 0.993 1.00 0.00 C ATOM 1025 CG GLN A 91 -11.999 12.073 2.231 1.00 0.00 C ATOM 1026 CD GLN A 91 -12.106 13.153 3.309 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -11.357 13.182 4.272 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -13.077 14.037 3.096 1.00 0.00 N ATOM 0 H GLN A 91 -8.952 12.534 0.043 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.913 10.528 0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.445 13.243 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.952 13.222 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.996 11.731 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.465 11.210 2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.669 13.955 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.230 14.797 3.759 1.00 0.00 H new ATOM 1037 N THR A 92 -10.741 11.454 -2.279 1.00 0.00 N ATOM 1038 CA THR A 92 -11.324 11.392 -3.609 1.00 0.00 C ATOM 1039 C THR A 92 -10.824 10.152 -4.353 1.00 0.00 C ATOM 1040 O THR A 92 -9.760 10.181 -4.971 1.00 0.00 O ATOM 1041 CB THR A 92 -11.001 12.703 -4.328 1.00 0.00 C ATOM 1042 OG1 THR A 92 -9.637 12.560 -4.716 1.00 0.00 O ATOM 1043 CG2 THR A 92 -10.994 13.904 -3.381 1.00 0.00 C ATOM 0 H THR A 92 -9.727 11.559 -2.262 1.00 0.00 H new ATOM 0 HA THR A 92 -12.408 11.289 -3.561 1.00 0.00 H new ATOM 0 HB THR A 92 -11.730 12.870 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.561 11.851 -5.388 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.759 14.808 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.975 14.008 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.242 13.752 -2.607 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.635 9.064 -4.267 1.00 0.00 N ATOM 1052 CA PRO A 93 -11.286 7.816 -4.925 1.00 0.00 C ATOM 1053 C PRO A 93 -11.514 7.910 -6.435 1.00 0.00 C ATOM 1054 O PRO A 93 -12.645 7.796 -6.904 1.00 0.00 O ATOM 1055 CB PRO A 93 -12.156 6.763 -4.257 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.285 7.523 -3.581 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.902 8.993 -3.544 1.00 0.00 C ATOM 0 HA PRO A 93 -10.230 7.566 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.545 6.056 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.583 6.187 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.218 7.386 -4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.448 7.146 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.663 9.613 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.794 9.348 -2.519 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.421 8.117 -7.154 1.00 0.00 N ATOM 1066 CA ASN A 94 -10.487 8.227 -8.601 1.00 0.00 C ATOM 1067 C ASN A 94 -9.111 7.921 -9.195 1.00 0.00 C ATOM 1068 O ASN A 94 -8.346 7.141 -8.630 1.00 0.00 O ATOM 1069 CB ASN A 94 -10.882 9.642 -9.029 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.990 10.196 -8.131 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -13.145 10.289 -8.512 1.00 0.00 O ATOM 1072 ND2 ASN A 94 -11.575 10.558 -6.920 1.00 0.00 N ATOM 0 H ASN A 94 -9.484 8.211 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.235 7.520 -8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.011 10.296 -8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.220 9.632 -10.065 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.239 10.940 -6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.593 10.453 -6.665 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.837 8.551 -10.328 1.00 0.00 N ATOM 1080 CA GLU A 95 -7.566 8.356 -11.005 1.00 0.00 C ATOM 1081 C GLU A 95 -6.421 8.909 -10.154 1.00 0.00 C ATOM 1082 O GLU A 95 -5.802 9.909 -10.514 1.00 0.00 O ATOM 1083 CB GLU A 95 -7.579 9.001 -12.392 1.00 0.00 C ATOM 1084 CG GLU A 95 -8.448 8.197 -13.362 1.00 0.00 C ATOM 1085 CD GLU A 95 -9.855 8.790 -13.457 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -9.956 9.936 -13.946 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -10.798 8.084 -13.039 1.00 0.00 O ATOM 0 H GLU A 95 -9.474 9.197 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.409 7.286 -11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.957 10.021 -12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.561 9.065 -12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.986 8.189 -14.349 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.508 7.161 -13.029 1.00 0.00 H new ATOM 1094 N GLU A 96 -6.174 8.234 -9.041 1.00 0.00 N ATOM 1095 CA GLU A 96 -5.114 8.645 -8.136 1.00 0.00 C ATOM 1096 C GLU A 96 -5.046 7.701 -6.935 1.00 0.00 C ATOM 1097 O GLU A 96 -3.970 7.224 -6.576 1.00 0.00 O ATOM 1098 CB GLU A 96 -5.310 10.094 -7.684 1.00 0.00 C ATOM 1099 CG GLU A 96 -4.434 10.413 -6.472 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.975 11.873 -6.496 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.686 12.680 -7.133 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.925 12.148 -5.877 1.00 0.00 O ATOM 0 H GLU A 96 -6.690 7.405 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.165 8.591 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.065 10.770 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.358 10.262 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.990 10.218 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.565 9.755 -6.464 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.208 7.458 -6.346 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.293 6.579 -5.192 1.00 0.00 C ATOM 1111 C CYS A 97 -6.045 5.144 -5.662 1.00 0.00 C ATOM 1112 O CYS A 97 -5.410 4.359 -4.960 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.636 6.719 -4.473 1.00 0.00 C ATOM 1114 SG CYS A 97 -7.964 5.228 -3.464 1.00 0.00 S ATOM 0 H CYS A 97 -7.098 7.855 -6.646 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.533 6.858 -4.462 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.627 7.604 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.435 6.858 -5.201 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.913 5.481 -2.612 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.558 4.846 -6.847 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.400 3.520 -7.418 1.00 0.00 C ATOM 1122 C LEU A 98 -4.936 3.090 -7.302 1.00 0.00 C ATOM 1123 O LEU A 98 -4.084 3.881 -6.899 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.939 3.486 -8.850 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.295 2.804 -9.040 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -9.092 3.472 -10.162 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.126 1.301 -9.274 1.00 0.00 C ATOM 0 H LEU A 98 -7.083 5.500 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.991 2.793 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.016 4.511 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.208 2.979 -9.480 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.869 2.924 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.052 2.968 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.260 4.520 -9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.533 3.404 -11.095 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.105 0.841 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.525 1.137 -10.168 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.627 0.853 -8.415 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.689 1.839 -7.661 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.343 1.295 -7.602 1.00 0.00 C ATOM 1141 C PHE A 99 -3.129 0.243 -8.691 1.00 0.00 C ATOM 1142 O PHE A 99 -3.562 -0.900 -8.550 1.00 0.00 O ATOM 1143 CB PHE A 99 -3.189 0.632 -6.232 1.00 0.00 C ATOM 1144 CG PHE A 99 -2.120 1.275 -5.346 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.873 1.501 -5.841 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.416 1.620 -4.064 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.119 2.098 -5.019 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.423 2.217 -3.243 1.00 0.00 C ATOM 1149 CZ PHE A 99 -0.177 2.444 -3.737 1.00 0.00 C ATOM 0 H PHE A 99 -5.399 1.186 -7.994 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.613 2.090 -7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.147 0.668 -5.713 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.943 -0.420 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.638 1.226 -6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.406 1.440 -3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.109 2.277 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.658 2.491 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.577 2.899 -3.112 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.460 0.665 -9.754 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.182 -0.226 -10.867 1.00 0.00 C ATOM 1161 C LEU A 100 -1.453 -1.468 -10.351 1.00 0.00 C ATOM 1162 O LEU A 100 -0.233 -1.455 -10.192 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.427 0.515 -11.972 1.00 0.00 C ATOM 1164 CG LEU A 100 -2.210 0.775 -13.261 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -1.890 2.160 -13.827 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.962 -0.334 -14.286 1.00 0.00 C ATOM 0 H LEU A 100 -2.102 1.613 -9.868 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.112 -0.567 -11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.090 1.473 -11.575 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.534 -0.058 -12.222 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.274 0.762 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.459 2.319 -14.743 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.158 2.923 -13.096 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.824 2.226 -14.046 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.530 -0.125 -15.193 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.899 -0.377 -14.525 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.280 -1.291 -13.871 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.231 -2.512 -10.103 1.00 0.00 N ATOM 1179 CA GLU A 101 -1.674 -3.759 -9.608 1.00 0.00 C ATOM 1180 C GLU A 101 -1.945 -4.892 -10.600 1.00 0.00 C ATOM 1181 O GLU A 101 -2.747 -4.738 -11.519 1.00 0.00 O ATOM 1182 CB GLU A 101 -2.232 -4.098 -8.224 1.00 0.00 C ATOM 1183 CG GLU A 101 -1.459 -5.255 -7.589 1.00 0.00 C ATOM 1184 CD GLU A 101 -2.122 -6.597 -7.908 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -3.368 -6.607 -8.000 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -1.367 -7.583 -8.051 1.00 0.00 O ATOM 0 H GLU A 101 -3.242 -2.519 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.595 -3.638 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.174 -3.221 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.286 -4.363 -8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.433 -5.256 -7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.412 -5.116 -6.509 1.00 0.00 H new ATOM 1193 N ARG A 102 -1.259 -6.004 -10.380 1.00 0.00 N ATOM 1194 CA ARG A 102 -1.415 -7.162 -11.244 1.00 0.00 C ATOM 1195 C ARG A 102 -1.078 -8.444 -10.479 1.00 0.00 C ATOM 1196 O ARG A 102 -1.957 -9.062 -9.880 1.00 0.00 O ATOM 1197 CB ARG A 102 -0.510 -7.058 -12.474 1.00 0.00 C ATOM 1198 CG ARG A 102 0.696 -6.160 -12.193 1.00 0.00 C ATOM 1199 CD ARG A 102 0.478 -4.756 -12.761 1.00 0.00 C ATOM 1200 NE ARG A 102 1.753 -4.004 -12.756 1.00 0.00 N ATOM 1201 CZ ARG A 102 2.659 -4.056 -13.742 1.00 0.00 C ATOM 1202 NH1 ARG A 102 2.436 -4.823 -14.817 1.00 0.00 N ATOM 1203 NH2 ARG A 102 3.788 -3.339 -13.652 1.00 0.00 N ATOM 0 H ARG A 102 -0.594 -6.128 -9.616 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.454 -7.193 -11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.168 -8.052 -12.764 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.077 -6.659 -13.315 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.866 -6.099 -11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.591 -6.599 -12.633 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.089 -4.822 -13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.268 -4.227 -12.168 1.00 0.00 H new ATOM 0 HE ARG A 102 1.954 -3.409 -11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.576 -5.368 -14.885 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.126 -4.862 -15.567 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.957 -2.754 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.478 -3.378 -14.402 1.00 0.00 H new ATOM 1217 N LEU A 103 0.196 -8.805 -10.524 1.00 0.00 N ATOM 1218 CA LEU A 103 0.659 -10.001 -9.842 1.00 0.00 C ATOM 1219 C LEU A 103 2.160 -10.172 -10.085 1.00 0.00 C ATOM 1220 O LEU A 103 2.609 -10.191 -11.230 1.00 0.00 O ATOM 1221 CB LEU A 103 -0.174 -11.214 -10.263 1.00 0.00 C ATOM 1222 CG LEU A 103 0.378 -12.581 -9.854 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -0.671 -13.389 -9.089 1.00 0.00 C ATOM 1224 CD2 LEU A 103 0.914 -13.342 -11.069 1.00 0.00 C ATOM 0 H LEU A 103 0.922 -8.290 -11.022 1.00 0.00 H new ATOM 0 HA LEU A 103 0.518 -9.905 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.174 -11.107 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.281 -11.197 -11.348 1.00 0.00 H new ATOM 0 HG LEU A 103 1.218 -12.422 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.253 -14.356 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.963 -12.847 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.546 -13.541 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.300 -14.310 -10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.109 -13.491 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.715 -12.767 -11.534 1.00 0.00 H new ATOM 1236 N GLU A 104 2.894 -10.293 -8.988 1.00 0.00 N ATOM 1237 CA GLU A 104 4.335 -10.461 -9.067 1.00 0.00 C ATOM 1238 C GLU A 104 4.701 -11.945 -8.986 1.00 0.00 C ATOM 1239 O GLU A 104 5.671 -12.383 -9.603 1.00 0.00 O ATOM 1240 CB GLU A 104 5.042 -9.662 -7.971 1.00 0.00 C ATOM 1241 CG GLU A 104 6.495 -10.114 -7.813 1.00 0.00 C ATOM 1242 CD GLU A 104 7.217 -9.277 -6.755 1.00 0.00 C ATOM 1243 OE1 GLU A 104 7.211 -8.037 -6.911 1.00 0.00 O ATOM 1244 OE2 GLU A 104 7.759 -9.897 -5.814 1.00 0.00 O ATOM 0 H GLU A 104 2.518 -10.278 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 104 4.674 -10.074 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.012 -8.600 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.514 -9.788 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.524 -11.167 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.013 -10.025 -8.768 1.00 0.00 H new ATOM 1251 N GLU A 105 3.906 -12.677 -8.221 1.00 0.00 N ATOM 1252 CA GLU A 105 4.134 -14.102 -8.051 1.00 0.00 C ATOM 1253 C GLU A 105 2.839 -14.879 -8.296 1.00 0.00 C ATOM 1254 O GLU A 105 2.484 -15.156 -9.441 1.00 0.00 O ATOM 1255 CB GLU A 105 4.701 -14.405 -6.663 1.00 0.00 C ATOM 1256 CG GLU A 105 6.145 -13.914 -6.541 1.00 0.00 C ATOM 1257 CD GLU A 105 7.133 -15.067 -6.729 1.00 0.00 C ATOM 1258 OE1 GLU A 105 7.280 -15.851 -5.767 1.00 0.00 O ATOM 1259 OE2 GLU A 105 7.720 -15.138 -7.831 1.00 0.00 O ATOM 0 H GLU A 105 3.102 -12.310 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 105 4.872 -14.422 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.085 -13.926 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.661 -15.478 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.335 -13.142 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.296 -13.456 -5.563 1.00 0.00 H new ATOM 1266 N ASN A 106 2.169 -15.210 -7.202 1.00 0.00 N ATOM 1267 CA ASN A 106 0.921 -15.951 -7.284 1.00 0.00 C ATOM 1268 C ASN A 106 0.218 -15.908 -5.926 1.00 0.00 C ATOM 1269 O ASN A 106 -0.144 -16.948 -5.378 1.00 0.00 O ATOM 1270 CB ASN A 106 1.173 -17.417 -7.640 1.00 0.00 C ATOM 1271 CG ASN A 106 -0.012 -18.006 -8.408 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -0.244 -17.706 -9.568 1.00 0.00 O ATOM 1273 ND2 ASN A 106 -0.745 -18.860 -7.700 1.00 0.00 N ATOM 0 H ASN A 106 2.466 -14.979 -6.254 1.00 0.00 H new ATOM 0 HA ASN A 106 0.307 -15.493 -8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.078 -17.498 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.343 -17.992 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.557 -19.308 -8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.495 -19.067 -6.733 1.00 0.00 H new ATOM 1280 N HIS A 107 0.045 -14.695 -5.423 1.00 0.00 N ATOM 1281 CA HIS A 107 -0.608 -14.503 -4.139 1.00 0.00 C ATOM 1282 C HIS A 107 -0.670 -13.010 -3.813 1.00 0.00 C ATOM 1283 O HIS A 107 -1.754 -12.443 -3.684 1.00 0.00 O ATOM 1284 CB HIS A 107 0.087 -15.320 -3.048 1.00 0.00 C ATOM 1285 CG HIS A 107 -0.498 -16.698 -2.846 1.00 0.00 C ATOM 1286 ND1 HIS A 107 0.226 -17.748 -2.311 1.00 0.00 N ATOM 1287 CD2 HIS A 107 -1.744 -17.185 -3.112 1.00 0.00 C ATOM 1288 CE1 HIS A 107 -0.558 -18.815 -2.262 1.00 0.00 C ATOM 1289 NE2 HIS A 107 -1.779 -18.464 -2.759 1.00 0.00 N ATOM 0 H HIS A 107 0.346 -13.835 -5.881 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.633 -14.871 -4.190 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.143 -15.418 -3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.032 -14.772 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.563 -16.625 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.279 -19.791 -1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -2.586 -19.082 -2.845 1.00 0.00 H new ATOM 1297 N TYR A 108 0.507 -12.415 -3.687 1.00 0.00 N ATOM 1298 CA TYR A 108 0.601 -10.998 -3.378 1.00 0.00 C ATOM 1299 C TYR A 108 -0.064 -10.154 -4.468 1.00 0.00 C ATOM 1300 O TYR A 108 -0.696 -10.692 -5.376 1.00 0.00 O ATOM 1301 CB TYR A 108 2.095 -10.673 -3.339 1.00 0.00 C ATOM 1302 CG TYR A 108 2.945 -11.737 -2.641 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.012 -11.773 -1.263 1.00 0.00 C ATOM 1304 CD2 TYR A 108 3.646 -12.661 -3.390 1.00 0.00 C ATOM 1305 CE1 TYR A 108 3.812 -12.774 -0.607 1.00 0.00 C ATOM 1306 CE2 TYR A 108 4.446 -13.662 -2.733 1.00 0.00 C ATOM 1307 CZ TYR A 108 4.489 -13.669 -1.374 1.00 0.00 C ATOM 1308 OH TYR A 108 5.245 -14.615 -0.754 1.00 0.00 O ATOM 0 H TYR A 108 1.404 -12.889 -3.793 1.00 0.00 H new ATOM 0 HA TYR A 108 0.100 -10.777 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.456 -10.547 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 108 2.236 -9.719 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.464 -11.050 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.594 -12.633 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.873 -12.813 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.999 -14.391 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 108 5.671 -15.186 -1.427 1.00 0.00 H new ATOM 1318 N ASN A 109 0.102 -8.846 -4.342 1.00 0.00 N ATOM 1319 CA ASN A 109 -0.474 -7.922 -5.304 1.00 0.00 C ATOM 1320 C ASN A 109 0.358 -6.638 -5.334 1.00 0.00 C ATOM 1321 O ASN A 109 0.027 -5.664 -4.660 1.00 0.00 O ATOM 1322 CB ASN A 109 -1.907 -7.548 -4.919 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.868 -8.706 -5.192 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -2.775 -9.775 -4.611 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.795 -8.436 -6.107 1.00 0.00 N ATOM 0 H ASN A 109 0.627 -8.404 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.478 -8.410 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.945 -7.280 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.221 -6.669 -5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.484 -9.145 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.817 -7.520 -6.556 1.00 0.00 H new ATOM 1332 N THR A 110 1.423 -6.679 -6.122 1.00 0.00 N ATOM 1333 CA THR A 110 2.305 -5.532 -6.248 1.00 0.00 C ATOM 1334 C THR A 110 1.625 -4.423 -7.053 1.00 0.00 C ATOM 1335 O THR A 110 1.556 -4.494 -8.279 1.00 0.00 O ATOM 1336 CB THR A 110 3.620 -6.012 -6.865 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.301 -6.230 -8.236 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.036 -7.393 -6.355 1.00 0.00 C ATOM 0 H THR A 110 1.694 -7.489 -6.679 1.00 0.00 H new ATOM 0 HA THR A 110 2.527 -5.095 -5.275 1.00 0.00 H new ATOM 0 HB THR A 110 4.408 -5.292 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.031 -5.383 -8.648 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.975 -7.686 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.166 -7.357 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.263 -8.121 -6.604 1.00 0.00 H new ATOM 1346 N TYR A 111 1.139 -3.423 -6.331 1.00 0.00 N ATOM 1347 CA TYR A 111 0.467 -2.301 -6.963 1.00 0.00 C ATOM 1348 C TYR A 111 1.480 -1.318 -7.554 1.00 0.00 C ATOM 1349 O TYR A 111 2.686 -1.548 -7.487 1.00 0.00 O ATOM 1350 CB TYR A 111 -0.318 -1.600 -5.853 1.00 0.00 C ATOM 1351 CG TYR A 111 -1.096 -2.554 -4.944 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -0.477 -3.122 -3.849 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.416 -2.846 -5.219 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -1.209 -4.020 -2.994 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -3.148 -3.744 -4.363 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.508 -4.286 -3.293 1.00 0.00 C ATOM 1357 OH TYR A 111 -3.199 -5.134 -2.485 1.00 0.00 O ATOM 0 H TYR A 111 1.198 -3.367 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 111 -0.174 -2.645 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.374 -1.018 -5.244 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -1.016 -0.895 -6.305 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.556 -2.893 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.900 -2.401 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.737 -4.472 -2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -4.182 -3.981 -4.567 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.666 -5.332 -1.687 1.00 0.00 H new ATOM 1367 N ILE A 112 0.952 -0.242 -8.119 1.00 0.00 N ATOM 1368 CA ILE A 112 1.794 0.777 -8.721 1.00 0.00 C ATOM 1369 C ILE A 112 1.011 2.088 -8.819 1.00 0.00 C ATOM 1370 O ILE A 112 0.028 2.175 -9.554 1.00 0.00 O ATOM 1371 CB ILE A 112 2.349 0.291 -10.061 1.00 0.00 C ATOM 1372 CG1 ILE A 112 3.873 0.169 -10.012 1.00 0.00 C ATOM 1373 CG2 ILE A 112 1.883 1.192 -11.207 1.00 0.00 C ATOM 1374 CD1 ILE A 112 4.427 -0.337 -11.346 1.00 0.00 C ATOM 0 H ILE A 112 -0.049 -0.054 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 112 2.664 0.971 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 112 1.952 -0.706 -10.253 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.311 1.139 -9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.161 -0.513 -9.212 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.292 0.824 -12.148 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.794 1.184 -11.256 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.231 2.210 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.512 -0.414 -11.283 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.005 -1.318 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.158 0.360 -12.140 1.00 0.00 H new ATOM 1386 N SER A 113 1.475 3.075 -8.067 1.00 0.00 N ATOM 1387 CA SER A 113 0.830 4.377 -8.060 1.00 0.00 C ATOM 1388 C SER A 113 0.245 4.679 -9.441 1.00 0.00 C ATOM 1389 O SER A 113 0.962 5.114 -10.341 1.00 0.00 O ATOM 1390 CB SER A 113 1.812 5.476 -7.648 1.00 0.00 C ATOM 1391 OG SER A 113 3.018 5.427 -8.406 1.00 0.00 O ATOM 0 H SER A 113 2.290 2.999 -7.458 1.00 0.00 H new ATOM 0 HA SER A 113 0.023 4.355 -7.328 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.341 6.450 -7.779 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.046 5.375 -6.588 1.00 0.00 H new ATOM 0 HG SER A 113 3.480 4.581 -8.231 1.00 0.00 H new ATOM 1397 N LYS A 114 -1.051 4.437 -9.565 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.741 4.677 -10.822 1.00 0.00 C ATOM 1399 C LYS A 114 -1.526 6.131 -11.246 1.00 0.00 C ATOM 1400 O LYS A 114 -1.597 6.453 -12.431 1.00 0.00 O ATOM 1401 CB LYS A 114 -3.214 4.280 -10.709 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.966 4.590 -12.005 1.00 0.00 C ATOM 1403 CD LYS A 114 -5.464 4.759 -11.743 1.00 0.00 C ATOM 1404 CE LYS A 114 -6.288 3.880 -12.685 1.00 0.00 C ATOM 1405 NZ LYS A 114 -6.796 4.676 -13.825 1.00 0.00 N ATOM 0 H LYS A 114 -1.642 4.077 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.326 4.050 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.291 3.216 -10.485 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.676 4.815 -9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.567 5.500 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.807 3.785 -12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.687 4.499 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.745 5.804 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.675 3.057 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.123 3.438 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.682 4.258 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.973 5.653 -13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.090 4.678 -14.589 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.269 6.972 -10.254 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.043 8.384 -10.510 1.00 0.00 C ATOM 1421 C LYS A 115 0.411 8.596 -10.934 1.00 0.00 C ATOM 1422 O LYS A 115 0.804 9.707 -11.286 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.459 9.221 -9.298 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.211 10.480 -9.733 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.653 11.721 -9.033 1.00 0.00 C ATOM 1426 CE LYS A 115 -1.748 12.951 -9.939 1.00 0.00 C ATOM 1427 NZ LYS A 115 -1.517 14.188 -9.159 1.00 0.00 N ATOM 0 H LYS A 115 -1.212 6.702 -9.272 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.668 8.726 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.091 8.625 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.575 9.501 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.131 10.601 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.271 10.373 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.204 11.901 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.613 11.549 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.013 12.877 -10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -2.731 12.989 -10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.073 14.905 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.425 14.550 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -0.890 13.980 -8.356 1.00 0.00 H new ATOM 1441 N HIS A 116 1.172 7.512 -10.886 1.00 0.00 N ATOM 1442 CA HIS A 116 2.575 7.565 -11.261 1.00 0.00 C ATOM 1443 C HIS A 116 2.995 6.225 -11.868 1.00 0.00 C ATOM 1444 O HIS A 116 4.145 5.812 -11.733 1.00 0.00 O ATOM 1445 CB HIS A 116 3.441 7.973 -10.068 1.00 0.00 C ATOM 1446 CG HIS A 116 3.949 9.393 -10.135 1.00 0.00 C ATOM 1447 ND1 HIS A 116 5.288 9.703 -10.298 1.00 0.00 N ATOM 1448 CD2 HIS A 116 3.285 10.582 -10.060 1.00 0.00 C ATOM 1449 CE1 HIS A 116 5.412 11.022 -10.318 1.00 0.00 C ATOM 1450 NE2 HIS A 116 4.170 11.565 -10.170 1.00 0.00 N ATOM 0 H HIS A 116 0.843 6.592 -10.593 1.00 0.00 H new ATOM 0 HA HIS A 116 2.723 8.331 -12.022 1.00 0.00 H new ATOM 0 HB2 HIS A 116 2.863 7.848 -9.153 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.293 7.296 -10.002 1.00 0.00 H new ATOM 0 HD1 HIS A 116 6.050 9.031 -10.387 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.219 10.703 -9.933 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.335 11.571 -10.432 1.00 0.00 H new ATOM 1458 N ALA A 117 2.039 5.583 -12.523 1.00 0.00 N ATOM 1459 CA ALA A 117 2.295 4.298 -13.151 1.00 0.00 C ATOM 1460 C ALA A 117 3.278 4.487 -14.308 1.00 0.00 C ATOM 1461 O ALA A 117 3.792 3.514 -14.857 1.00 0.00 O ATOM 1462 CB ALA A 117 0.972 3.678 -13.606 1.00 0.00 C ATOM 0 H ALA A 117 1.086 5.929 -12.632 1.00 0.00 H new ATOM 0 HA ALA A 117 2.751 3.608 -12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.165 2.714 -14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.321 3.537 -12.743 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.487 4.341 -14.322 1.00 0.00 H new ATOM 1468 N GLU A 118 3.510 5.748 -14.645 1.00 0.00 N ATOM 1469 CA GLU A 118 4.422 6.077 -15.727 1.00 0.00 C ATOM 1470 C GLU A 118 5.872 5.930 -15.263 1.00 0.00 C ATOM 1471 O GLU A 118 6.775 5.759 -16.080 1.00 0.00 O ATOM 1472 CB GLU A 118 4.157 7.488 -16.257 1.00 0.00 C ATOM 1473 CG GLU A 118 5.015 7.781 -17.489 1.00 0.00 C ATOM 1474 CD GLU A 118 4.270 8.686 -18.473 1.00 0.00 C ATOM 1475 OE1 GLU A 118 3.424 8.143 -19.215 1.00 0.00 O ATOM 1476 OE2 GLU A 118 4.565 9.901 -18.461 1.00 0.00 O ATOM 0 H GLU A 118 3.082 6.553 -14.188 1.00 0.00 H new ATOM 0 HA GLU A 118 4.250 5.378 -16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.102 7.593 -16.511 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.372 8.219 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.946 8.259 -17.183 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.283 6.846 -17.981 1.00 0.00 H new ATOM 1483 N LYS A 119 6.050 6.001 -13.952 1.00 0.00 N ATOM 1484 CA LYS A 119 7.375 5.877 -13.368 1.00 0.00 C ATOM 1485 C LYS A 119 7.489 4.529 -12.654 1.00 0.00 C ATOM 1486 O LYS A 119 8.508 4.238 -12.028 1.00 0.00 O ATOM 1487 CB LYS A 119 7.679 7.077 -12.469 1.00 0.00 C ATOM 1488 CG LYS A 119 8.970 7.775 -12.904 1.00 0.00 C ATOM 1489 CD LYS A 119 10.178 7.208 -12.156 1.00 0.00 C ATOM 1490 CE LYS A 119 11.190 6.600 -13.129 1.00 0.00 C ATOM 1491 NZ LYS A 119 12.567 6.756 -12.609 1.00 0.00 N ATOM 0 H LYS A 119 5.298 6.143 -13.277 1.00 0.00 H new ATOM 0 HA LYS A 119 8.137 5.891 -14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.849 7.783 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 119 7.771 6.747 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.111 7.650 -13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.890 8.846 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.655 7.998 -11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.848 6.448 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.969 5.543 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.105 7.085 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.241 6.338 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.780 7.767 -12.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.648 6.273 -11.692 1.00 0.00 H new ATOM 1505 N ASN A 120 6.430 3.742 -12.771 1.00 0.00 N ATOM 1506 CA ASN A 120 6.399 2.431 -12.145 1.00 0.00 C ATOM 1507 C ASN A 120 6.639 2.584 -10.641 1.00 0.00 C ATOM 1508 O ASN A 120 7.178 1.683 -10.000 1.00 0.00 O ATOM 1509 CB ASN A 120 7.495 1.524 -12.709 1.00 0.00 C ATOM 1510 CG ASN A 120 6.893 0.380 -13.527 1.00 0.00 C ATOM 1511 OD1 ASN A 120 7.334 -0.756 -13.472 1.00 0.00 O ATOM 1512 ND2 ASN A 120 5.862 0.742 -14.286 1.00 0.00 N ATOM 0 H ASN A 120 5.587 3.987 -13.290 1.00 0.00 H new ATOM 0 HA ASN A 120 5.425 1.985 -12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.169 2.108 -13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.091 1.117 -11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.390 0.051 -14.869 1.00 0.00 H new ATOM 0 HD22 ASN A 120 5.543 1.711 -14.285 1.00 0.00 H new ATOM 1519 N TRP A 121 6.227 3.731 -10.122 1.00 0.00 N ATOM 1520 CA TRP A 121 6.390 4.013 -8.706 1.00 0.00 C ATOM 1521 C TRP A 121 5.543 3.008 -7.923 1.00 0.00 C ATOM 1522 O TRP A 121 4.432 3.323 -7.501 1.00 0.00 O ATOM 1523 CB TRP A 121 6.034 5.467 -8.392 1.00 0.00 C ATOM 1524 CG TRP A 121 7.149 6.465 -8.715 1.00 0.00 C ATOM 1525 CD1 TRP A 121 8.355 6.212 -9.241 1.00 0.00 C ATOM 1526 CD2 TRP A 121 7.111 7.893 -8.510 1.00 0.00 C ATOM 1527 NE1 TRP A 121 9.094 7.368 -9.389 1.00 0.00 N ATOM 1528 CE2 TRP A 121 8.314 8.422 -8.930 1.00 0.00 C ATOM 1529 CE3 TRP A 121 6.093 8.710 -7.987 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 8.612 9.789 -8.871 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 6.407 10.073 -7.934 1.00 0.00 C ATOM 1532 CH2 TRP A 121 7.614 10.622 -8.353 1.00 0.00 C ATOM 0 H TRP A 121 5.781 4.476 -10.657 1.00 0.00 H new ATOM 0 HA TRP A 121 7.432 3.897 -8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 121 5.141 5.741 -8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.783 5.548 -7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.705 5.228 -9.515 1.00 0.00 H new ATOM 0 HE1 TRP A 121 10.039 7.436 -9.766 1.00 0.00 H new ATOM 0 HE3 TRP A 121 5.144 8.317 -7.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 9.561 10.179 -9.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 5.659 10.746 -7.540 1.00 0.00 H new ATOM 0 HH2 TRP A 121 7.780 11.687 -8.279 1.00 0.00 H new ATOM 1543 N PHE A 122 6.101 1.818 -7.752 1.00 0.00 N ATOM 1544 CA PHE A 122 5.411 0.765 -7.027 1.00 0.00 C ATOM 1545 C PHE A 122 5.072 1.211 -5.604 1.00 0.00 C ATOM 1546 O PHE A 122 5.308 2.361 -5.237 1.00 0.00 O ATOM 1547 CB PHE A 122 6.363 -0.430 -6.961 1.00 0.00 C ATOM 1548 CG PHE A 122 6.239 -1.392 -8.145 1.00 0.00 C ATOM 1549 CD1 PHE A 122 5.326 -2.400 -8.109 1.00 0.00 C ATOM 1550 CD2 PHE A 122 7.040 -1.238 -9.233 1.00 0.00 C ATOM 1551 CE1 PHE A 122 5.210 -3.292 -9.208 1.00 0.00 C ATOM 1552 CE2 PHE A 122 6.924 -2.131 -10.331 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.012 -3.138 -10.296 1.00 0.00 C ATOM 0 H PHE A 122 7.023 1.560 -8.103 1.00 0.00 H new ATOM 0 HA PHE A 122 4.478 0.515 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.388 -0.062 -6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.176 -0.980 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 122 4.690 -2.522 -7.245 1.00 0.00 H new ATOM 0 HD2 PHE A 122 7.764 -0.437 -9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 122 4.485 -4.092 -9.180 1.00 0.00 H new ATOM 0 HE2 PHE A 122 7.561 -2.010 -11.195 1.00 0.00 H new ATOM 0 HZ PHE A 122 5.924 -3.816 -11.132 1.00 0.00 H new ATOM 1563 N VAL A 123 4.523 0.277 -4.840 1.00 0.00 N ATOM 1564 CA VAL A 123 4.149 0.560 -3.465 1.00 0.00 C ATOM 1565 C VAL A 123 4.897 -0.393 -2.531 1.00 0.00 C ATOM 1566 O VAL A 123 4.610 -1.589 -2.498 1.00 0.00 O ATOM 1567 CB VAL A 123 2.629 0.479 -3.309 1.00 0.00 C ATOM 1568 CG1 VAL A 123 2.122 -0.933 -3.610 1.00 0.00 C ATOM 1569 CG2 VAL A 123 2.196 0.931 -1.913 1.00 0.00 C ATOM 0 H VAL A 123 4.329 -0.676 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 123 4.437 1.575 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 123 2.181 1.158 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.039 -0.964 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.383 -1.203 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.582 -1.640 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.111 0.864 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.659 0.289 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.509 1.962 -1.751 1.00 0.00 H new ATOM 1579 N GLY A 124 5.843 0.172 -1.795 1.00 0.00 N ATOM 1580 CA GLY A 124 6.635 -0.613 -0.863 1.00 0.00 C ATOM 1581 C GLY A 124 7.347 0.289 0.146 1.00 0.00 C ATOM 1582 O GLY A 124 7.673 1.435 -0.161 1.00 0.00 O ATOM 0 H GLY A 124 6.079 1.164 -1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.991 -1.317 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.370 -1.202 -1.411 1.00 0.00 H new ATOM 1586 N LEU A 125 7.568 -0.262 1.331 1.00 0.00 N ATOM 1587 CA LEU A 125 8.236 0.479 2.388 1.00 0.00 C ATOM 1588 C LEU A 125 9.669 -0.036 2.539 1.00 0.00 C ATOM 1589 O LEU A 125 9.885 -1.232 2.727 1.00 0.00 O ATOM 1590 CB LEU A 125 7.421 0.420 3.681 1.00 0.00 C ATOM 1591 CG LEU A 125 5.900 0.472 3.519 1.00 0.00 C ATOM 1592 CD1 LEU A 125 5.221 -0.612 4.358 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.363 1.868 3.842 1.00 0.00 C ATOM 0 H LEU A 125 7.296 -1.212 1.582 1.00 0.00 H new ATOM 0 HA LEU A 125 8.303 1.536 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.679 -0.499 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.727 1.250 4.318 1.00 0.00 H new ATOM 0 HG LEU A 125 5.660 0.267 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.141 -0.552 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.573 -1.593 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.465 -0.464 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.280 1.879 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.614 2.125 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.812 2.596 3.166 1.00 0.00 H new ATOM 1605 N LYS A 126 10.610 0.892 2.452 1.00 0.00 N ATOM 1606 CA LYS A 126 12.016 0.547 2.577 1.00 0.00 C ATOM 1607 C LYS A 126 12.169 -0.588 3.592 1.00 0.00 C ATOM 1608 O LYS A 126 11.627 -0.517 4.694 1.00 0.00 O ATOM 1609 CB LYS A 126 12.845 1.788 2.912 1.00 0.00 C ATOM 1610 CG LYS A 126 14.342 1.481 2.849 1.00 0.00 C ATOM 1611 CD LYS A 126 15.158 2.763 2.668 1.00 0.00 C ATOM 1612 CE LYS A 126 16.242 2.879 3.741 1.00 0.00 C ATOM 1613 NZ LYS A 126 16.585 4.298 3.980 1.00 0.00 N ATOM 0 H LYS A 126 10.426 1.883 2.296 1.00 0.00 H new ATOM 0 HA LYS A 126 12.405 0.181 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.605 2.589 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.585 2.145 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.652 0.975 3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.542 0.799 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.618 2.769 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.498 3.629 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 126 15.895 2.422 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 126 17.131 2.331 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.322 4.359 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.936 4.724 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.738 4.811 4.299 1.00 0.00 H new ATOM 1627 N LYS A 127 12.910 -1.608 3.184 1.00 0.00 N ATOM 1628 CA LYS A 127 13.142 -2.756 4.044 1.00 0.00 C ATOM 1629 C LYS A 127 14.034 -2.339 5.215 1.00 0.00 C ATOM 1630 O LYS A 127 15.120 -2.888 5.398 1.00 0.00 O ATOM 1631 CB LYS A 127 13.698 -3.929 3.234 1.00 0.00 C ATOM 1632 CG LYS A 127 14.793 -3.461 2.274 1.00 0.00 C ATOM 1633 CD LYS A 127 16.004 -4.395 2.327 1.00 0.00 C ATOM 1634 CE LYS A 127 17.311 -3.605 2.234 1.00 0.00 C ATOM 1635 NZ LYS A 127 18.463 -4.524 2.095 1.00 0.00 N ATOM 0 H LYS A 127 13.358 -1.663 2.269 1.00 0.00 H new ATOM 0 HA LYS A 127 12.203 -3.109 4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.100 -4.684 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.893 -4.401 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.400 -3.426 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 127 15.099 -2.447 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.986 -4.967 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.950 -5.113 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 127 17.274 -2.928 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 127 17.435 -2.989 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.342 -3.972 2.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.507 -5.153 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 18.351 -5.094 1.232 1.00 0.00 H new ATOM 1649 N ASN A 128 13.544 -1.372 5.976 1.00 0.00 N ATOM 1650 CA ASN A 128 14.283 -0.875 7.124 1.00 0.00 C ATOM 1651 C ASN A 128 13.309 -0.238 8.116 1.00 0.00 C ATOM 1652 O ASN A 128 13.411 -0.460 9.322 1.00 0.00 O ATOM 1653 CB ASN A 128 15.298 0.191 6.706 1.00 0.00 C ATOM 1654 CG ASN A 128 16.317 -0.379 5.718 1.00 0.00 C ATOM 1655 OD1 ASN A 128 16.044 -0.568 4.544 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.504 -0.641 6.256 1.00 0.00 N ATOM 0 H ASN A 128 12.644 -0.919 5.820 1.00 0.00 H new ATOM 0 HA ASN A 128 14.809 -1.716 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 128 14.778 1.035 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.814 0.572 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.252 -1.024 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 128 17.666 -0.459 7.246 1.00 0.00 H new ATOM 1663 N GLY A 129 12.386 0.542 7.572 1.00 0.00 N ATOM 1664 CA GLY A 129 11.394 1.213 8.395 1.00 0.00 C ATOM 1665 C GLY A 129 11.143 2.638 7.898 1.00 0.00 C ATOM 1666 O GLY A 129 11.514 3.605 8.562 1.00 0.00 O ATOM 0 H GLY A 129 12.304 0.724 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 129 10.461 0.649 8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.733 1.240 9.431 1.00 0.00 H new ATOM 1670 N SER A 130 10.515 2.723 6.734 1.00 0.00 N ATOM 1671 CA SER A 130 10.210 4.014 6.141 1.00 0.00 C ATOM 1672 C SER A 130 9.606 3.820 4.749 1.00 0.00 C ATOM 1673 O SER A 130 9.993 2.906 4.022 1.00 0.00 O ATOM 1674 CB SER A 130 11.461 4.892 6.059 1.00 0.00 C ATOM 1675 OG SER A 130 11.254 6.040 5.241 1.00 0.00 O ATOM 0 H SER A 130 10.209 1.919 6.186 1.00 0.00 H new ATOM 0 HA SER A 130 9.485 4.520 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.748 5.208 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 130 12.289 4.307 5.660 1.00 0.00 H new ATOM 0 HG SER A 130 12.074 6.575 5.215 1.00 0.00 H new ATOM 1681 N CYS A 131 8.667 4.695 4.419 1.00 0.00 N ATOM 1682 CA CYS A 131 8.006 4.631 3.127 1.00 0.00 C ATOM 1683 C CYS A 131 9.075 4.704 2.035 1.00 0.00 C ATOM 1684 O CYS A 131 10.262 4.828 2.332 1.00 0.00 O ATOM 1685 CB CYS A 131 6.957 5.734 2.973 1.00 0.00 C ATOM 1686 SG CYS A 131 5.500 5.092 2.070 1.00 0.00 S ATOM 0 H CYS A 131 8.349 5.452 5.024 1.00 0.00 H new ATOM 0 HA CYS A 131 7.464 3.689 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.655 6.099 3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.384 6.581 2.436 1.00 0.00 H new ATOM 0 HG CYS A 131 4.433 5.720 2.466 1.00 0.00 H new ATOM 1692 N LYS A 132 8.616 4.625 0.795 1.00 0.00 N ATOM 1693 CA LYS A 132 9.519 4.681 -0.342 1.00 0.00 C ATOM 1694 C LYS A 132 9.791 6.143 -0.700 1.00 0.00 C ATOM 1695 O LYS A 132 9.674 7.026 0.149 1.00 0.00 O ATOM 1696 CB LYS A 132 8.966 3.856 -1.506 1.00 0.00 C ATOM 1697 CG LYS A 132 10.003 2.848 -2.005 1.00 0.00 C ATOM 1698 CD LYS A 132 10.233 1.741 -0.973 1.00 0.00 C ATOM 1699 CE LYS A 132 11.689 1.271 -0.988 1.00 0.00 C ATOM 1700 NZ LYS A 132 12.591 2.363 -0.558 1.00 0.00 N ATOM 0 H LYS A 132 7.631 4.523 0.552 1.00 0.00 H new ATOM 0 HA LYS A 132 10.479 4.230 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 132 8.066 3.330 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 132 8.677 4.519 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 132 9.667 2.410 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 132 10.943 3.360 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 132 9.975 2.106 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 132 9.573 0.899 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.807 0.412 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 132 11.960 0.941 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.459 1.957 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 12.834 2.955 -1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 12.114 2.945 0.160 1.00 0.00 H new ATOM 1714 N ARG A 133 10.150 6.355 -1.958 1.00 0.00 N ATOM 1715 CA ARG A 133 10.440 7.695 -2.438 1.00 0.00 C ATOM 1716 C ARG A 133 10.258 7.766 -3.956 1.00 0.00 C ATOM 1717 O ARG A 133 11.135 7.347 -4.710 1.00 0.00 O ATOM 1718 CB ARG A 133 11.869 8.110 -2.083 1.00 0.00 C ATOM 1719 CG ARG A 133 11.872 9.202 -1.012 1.00 0.00 C ATOM 1720 CD ARG A 133 13.006 8.983 -0.008 1.00 0.00 C ATOM 1721 NE ARG A 133 13.104 10.142 0.907 1.00 0.00 N ATOM 1722 CZ ARG A 133 13.792 11.259 0.634 1.00 0.00 C ATOM 1723 NH1 ARG A 133 14.448 11.374 -0.529 1.00 0.00 N ATOM 1724 NH2 ARG A 133 13.825 12.260 1.524 1.00 0.00 N ATOM 0 H ARG A 133 10.247 5.621 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 133 9.744 8.379 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 133 12.425 7.243 -1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 133 12.380 8.470 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.983 10.178 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.915 9.207 -0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 133 12.826 8.072 0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.949 8.846 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 133 12.617 10.087 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 133 14.423 10.611 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.972 12.224 -0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 133 13.326 12.172 2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 133 14.349 13.110 1.316 1.00 0.00 H new ATOM 1738 N GLY A 134 9.113 8.298 -4.359 1.00 0.00 N ATOM 1739 CA GLY A 134 8.805 8.429 -5.772 1.00 0.00 C ATOM 1740 C GLY A 134 9.920 7.832 -6.634 1.00 0.00 C ATOM 1741 O GLY A 134 9.805 6.704 -7.110 1.00 0.00 O ATOM 0 H GLY A 134 8.387 8.643 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.863 7.926 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.671 9.481 -6.023 1.00 0.00 H new ATOM 1745 N PRO A 135 11.002 8.637 -6.813 1.00 0.00 N ATOM 1746 CA PRO A 135 12.136 8.200 -7.608 1.00 0.00 C ATOM 1747 C PRO A 135 12.980 7.176 -6.845 1.00 0.00 C ATOM 1748 O PRO A 135 14.170 7.392 -6.619 1.00 0.00 O ATOM 1749 CB PRO A 135 12.900 9.472 -7.937 1.00 0.00 C ATOM 1750 CG PRO A 135 12.430 10.511 -6.932 1.00 0.00 C ATOM 1751 CD PRO A 135 11.173 9.979 -6.264 1.00 0.00 C ATOM 0 HA PRO A 135 11.836 7.684 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.976 9.313 -7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.698 9.796 -8.958 1.00 0.00 H new ATOM 0 HG2 PRO A 135 13.205 10.702 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 135 12.226 11.459 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.282 9.953 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.311 10.609 -6.483 1.00 0.00 H new ATOM 1759 N ARG A 136 12.331 6.085 -6.469 1.00 0.00 N ATOM 1760 CA ARG A 136 13.006 5.028 -5.736 1.00 0.00 C ATOM 1761 C ARG A 136 11.988 4.020 -5.199 1.00 0.00 C ATOM 1762 O ARG A 136 12.114 3.546 -4.070 1.00 0.00 O ATOM 1763 CB ARG A 136 13.815 5.597 -4.568 1.00 0.00 C ATOM 1764 CG ARG A 136 15.273 5.141 -4.637 1.00 0.00 C ATOM 1765 CD ARG A 136 16.226 6.311 -4.381 1.00 0.00 C ATOM 1766 NE ARG A 136 17.020 6.593 -5.598 1.00 0.00 N ATOM 1767 CZ ARG A 136 18.046 7.453 -5.643 1.00 0.00 C ATOM 1768 NH1 ARG A 136 18.409 8.121 -4.539 1.00 0.00 N ATOM 1769 NH2 ARG A 136 18.709 7.646 -6.791 1.00 0.00 N ATOM 0 H ARG A 136 11.344 5.910 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 136 13.687 4.529 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 136 13.770 6.686 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 136 13.374 5.275 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 136 15.448 4.357 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 136 15.477 4.709 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 136 15.659 7.196 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 136 16.891 6.074 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 136 16.770 6.102 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 136 17.904 7.974 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 136 19.190 8.776 -4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.433 7.138 -7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 136 19.490 8.301 -6.825 1.00 0.00 H new ATOM 1783 N THR A 137 11.002 3.721 -6.032 1.00 0.00 N ATOM 1784 CA THR A 137 9.963 2.778 -5.655 1.00 0.00 C ATOM 1785 C THR A 137 9.681 1.808 -6.804 1.00 0.00 C ATOM 1786 O THR A 137 8.556 1.732 -7.296 1.00 0.00 O ATOM 1787 CB THR A 137 8.734 3.578 -5.220 1.00 0.00 C ATOM 1788 OG1 THR A 137 7.668 2.633 -5.272 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.336 4.644 -6.244 1.00 0.00 C ATOM 0 H THR A 137 10.901 4.115 -6.967 1.00 0.00 H new ATOM 0 HA THR A 137 10.278 2.157 -4.817 1.00 0.00 H new ATOM 0 HB THR A 137 8.932 4.053 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.811 3.108 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.458 5.183 -5.886 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.161 5.344 -6.380 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.105 4.166 -7.196 1.00 0.00 H new ATOM 1797 N HIS A 138 10.723 1.090 -7.199 1.00 0.00 N ATOM 1798 CA HIS A 138 10.601 0.128 -8.281 1.00 0.00 C ATOM 1799 C HIS A 138 10.921 -1.274 -7.760 1.00 0.00 C ATOM 1800 O HIS A 138 11.902 -1.464 -7.042 1.00 0.00 O ATOM 1801 CB HIS A 138 11.477 0.533 -9.469 1.00 0.00 C ATOM 1802 CG HIS A 138 11.517 2.021 -9.724 1.00 0.00 C ATOM 1803 ND1 HIS A 138 12.110 2.915 -8.850 1.00 0.00 N ATOM 1804 CD2 HIS A 138 11.033 2.761 -10.762 1.00 0.00 C ATOM 1805 CE1 HIS A 138 11.982 4.135 -9.349 1.00 0.00 C ATOM 1806 NE2 HIS A 138 11.314 4.038 -10.534 1.00 0.00 N ATOM 0 H HIS A 138 11.655 1.155 -6.789 1.00 0.00 H new ATOM 0 HA HIS A 138 9.575 0.116 -8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.493 0.177 -9.296 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.111 0.031 -10.365 1.00 0.00 H new ATOM 0 HD1 HIS A 138 12.568 2.675 -7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 138 10.510 2.374 -11.624 1.00 0.00 H new ATOM 0 HE1 HIS A 138 12.343 5.047 -8.897 1.00 0.00 H new ATOM 1814 N TYR A 139 10.075 -2.220 -8.140 1.00 0.00 N ATOM 1815 CA TYR A 139 10.256 -3.599 -7.720 1.00 0.00 C ATOM 1816 C TYR A 139 11.650 -4.108 -8.092 1.00 0.00 C ATOM 1817 O TYR A 139 12.525 -3.323 -8.454 1.00 0.00 O ATOM 1818 CB TYR A 139 9.208 -4.413 -8.482 1.00 0.00 C ATOM 1819 CG TYR A 139 9.602 -4.739 -9.924 1.00 0.00 C ATOM 1820 CD1 TYR A 139 9.616 -3.742 -10.878 1.00 0.00 C ATOM 1821 CD2 TYR A 139 9.944 -6.030 -10.270 1.00 0.00 C ATOM 1822 CE1 TYR A 139 9.987 -4.049 -12.235 1.00 0.00 C ATOM 1823 CE2 TYR A 139 10.315 -6.338 -11.628 1.00 0.00 C ATOM 1824 CZ TYR A 139 10.318 -5.332 -12.543 1.00 0.00 C ATOM 1825 OH TYR A 139 10.669 -5.622 -13.825 1.00 0.00 O ATOM 0 H TYR A 139 9.262 -2.059 -8.734 1.00 0.00 H new ATOM 0 HA TYR A 139 10.149 -3.688 -6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 139 9.026 -5.345 -7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 139 8.268 -3.861 -8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 139 9.349 -2.731 -10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 139 9.934 -6.810 -9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 139 10.002 -3.278 -12.991 1.00 0.00 H new ATOM 0 HE2 TYR A 139 10.584 -7.344 -11.912 1.00 0.00 H new ATOM 0 HH TYR A 139 10.881 -6.576 -13.898 1.00 0.00 H new ATOM 1891 N ILE A 144 7.623 -5.196 -2.388 1.00 0.00 N ATOM 1892 CA ILE A 144 6.249 -4.907 -2.762 1.00 0.00 C ATOM 1893 C ILE A 144 5.395 -6.160 -2.557 1.00 0.00 C ATOM 1894 O ILE A 144 4.168 -6.092 -2.596 1.00 0.00 O ATOM 1895 CB ILE A 144 6.188 -4.348 -4.185 1.00 0.00 C ATOM 1896 CG1 ILE A 144 6.973 -5.231 -5.156 1.00 0.00 C ATOM 1897 CG2 ILE A 144 6.661 -2.893 -4.223 1.00 0.00 C ATOM 1898 CD1 ILE A 144 7.292 -4.477 -6.449 1.00 0.00 C ATOM 0 HA ILE A 144 5.835 -4.130 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 144 5.148 -4.358 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 144 7.899 -5.561 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.396 -6.127 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 144 6.608 -2.520 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 144 6.022 -2.286 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 144 7.690 -2.836 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 144 7.851 -5.128 -7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 144 6.363 -4.170 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 144 7.890 -3.595 -6.218 1.00 0.00 H new ATOM 1910 N LEU A 145 6.079 -7.274 -2.342 1.00 0.00 N ATOM 1911 CA LEU A 145 5.398 -8.541 -2.130 1.00 0.00 C ATOM 1912 C LEU A 145 4.461 -8.416 -0.928 1.00 0.00 C ATOM 1913 O LEU A 145 4.815 -8.809 0.183 1.00 0.00 O ATOM 1914 CB LEU A 145 6.412 -9.679 -2.004 1.00 0.00 C ATOM 1915 CG LEU A 145 6.063 -10.973 -2.743 1.00 0.00 C ATOM 1916 CD1 LEU A 145 5.539 -10.677 -4.149 1.00 0.00 C ATOM 1917 CD2 LEU A 145 7.257 -11.931 -2.765 1.00 0.00 C ATOM 0 H LEU A 145 7.097 -7.326 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 145 4.779 -8.790 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.375 -9.323 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.539 -9.911 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 145 5.261 -11.471 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 145 5.299 -11.613 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 145 4.642 -10.061 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 145 6.302 -10.145 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 145 6.982 -12.842 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 145 8.096 -11.455 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 145 7.544 -12.179 -1.743 1.00 0.00 H new ATOM 1929 N PHE A 146 3.284 -7.867 -1.189 1.00 0.00 N ATOM 1930 CA PHE A 146 2.293 -7.686 -0.142 1.00 0.00 C ATOM 1931 C PHE A 146 1.395 -8.918 -0.018 1.00 0.00 C ATOM 1932 O PHE A 146 0.734 -9.309 -0.979 1.00 0.00 O ATOM 1933 CB PHE A 146 1.436 -6.483 -0.541 1.00 0.00 C ATOM 1934 CG PHE A 146 1.965 -5.143 -0.026 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.475 -5.051 1.231 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.927 -4.044 -0.826 1.00 0.00 C ATOM 1937 CE1 PHE A 146 2.966 -3.808 1.709 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.418 -2.801 -0.348 1.00 0.00 C ATOM 1939 CZ PHE A 146 2.928 -2.709 0.909 1.00 0.00 C ATOM 0 H PHE A 146 2.994 -7.541 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 146 2.788 -7.533 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 146 1.370 -6.442 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.424 -6.631 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.507 -5.924 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.523 -4.117 -1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.370 -3.735 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.386 -1.928 -0.983 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.303 -1.763 1.272 1.00 0.00 H new ATOM 1949 N LEU A 147 1.400 -9.497 1.174 1.00 0.00 N ATOM 1950 CA LEU A 147 0.594 -10.677 1.437 1.00 0.00 C ATOM 1951 C LEU A 147 -0.496 -10.329 2.452 1.00 0.00 C ATOM 1952 O LEU A 147 -0.215 -10.154 3.636 1.00 0.00 O ATOM 1953 CB LEU A 147 1.482 -11.847 1.865 1.00 0.00 C ATOM 1954 CG LEU A 147 0.946 -13.245 1.550 1.00 0.00 C ATOM 1955 CD1 LEU A 147 -0.075 -13.690 2.599 1.00 0.00 C ATOM 1956 CD2 LEU A 147 0.376 -13.307 0.132 1.00 0.00 C ATOM 0 H LEU A 147 1.950 -9.171 1.969 1.00 0.00 H new ATOM 0 HA LEU A 147 0.090 -11.005 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.454 -11.735 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.649 -11.777 2.940 1.00 0.00 H new ATOM 0 HG LEU A 147 1.778 -13.948 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -0.440 -14.687 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.398 -13.710 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.911 -12.990 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 147 0.002 -14.311 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.440 -12.590 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 147 1.159 -13.063 -0.586 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.752 -10.236 1.937 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.886 -9.912 2.785 1.00 0.00 C ATOM 1970 C PRO A 148 -3.290 -11.112 3.644 1.00 0.00 C ATOM 1971 O PRO A 148 -3.641 -12.167 3.117 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.981 -9.472 1.827 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.579 -10.006 0.461 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.123 -10.436 0.539 1.00 0.00 C ATOM 0 HA PRO A 148 -2.662 -9.123 3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.949 -9.869 2.132 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.072 -8.386 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.211 -10.848 0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.710 -9.239 -0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.001 -11.478 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.498 -9.840 -0.126 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.226 -10.911 4.952 1.00 0.00 N ATOM 1983 CA LEU A 149 -3.581 -11.964 5.888 1.00 0.00 C ATOM 1984 C LEU A 149 -4.649 -11.445 6.853 1.00 0.00 C ATOM 1985 O LEU A 149 -4.361 -11.177 8.018 1.00 0.00 O ATOM 1986 CB LEU A 149 -2.331 -12.503 6.587 1.00 0.00 C ATOM 1987 CG LEU A 149 -1.328 -11.453 7.071 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -1.015 -11.637 8.557 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.062 -11.468 6.212 1.00 0.00 C ATOM 0 H LEU A 149 -2.934 -10.035 5.385 1.00 0.00 H new ATOM 0 HA LEU A 149 -4.014 -12.813 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.646 -13.098 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.818 -13.178 5.902 1.00 0.00 H new ATOM 0 HG LEU A 149 -1.782 -10.469 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.300 -10.878 8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -1.932 -11.537 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.589 -12.627 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.634 -10.713 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.406 -12.451 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.323 -11.251 5.176 1.00 0.00 H new ATOM 2001 N PRO A 150 -5.892 -11.315 6.317 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.005 -10.832 7.117 1.00 0.00 C ATOM 2003 C PRO A 150 -7.496 -11.913 8.082 1.00 0.00 C ATOM 2004 O PRO A 150 -7.105 -13.074 7.971 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.062 -10.412 6.109 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.692 -11.103 4.806 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.270 -11.623 4.941 1.00 0.00 C ATOM 0 HA PRO A 150 -6.730 -9.994 7.758 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.057 -10.709 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.077 -9.329 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.380 -11.923 4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.766 -10.407 3.970 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.220 -12.694 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.602 -11.139 4.229 1.00 0.00 H new ATOM 2015 N VAL A 151 -8.345 -11.493 9.009 1.00 0.00 N ATOM 2016 CA VAL A 151 -8.894 -12.411 9.993 1.00 0.00 C ATOM 2017 C VAL A 151 -10.115 -11.771 10.656 1.00 0.00 C ATOM 2018 O VAL A 151 -10.326 -11.927 11.857 1.00 0.00 O ATOM 2019 CB VAL A 151 -7.810 -12.812 10.996 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -6.912 -13.910 10.423 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -6.984 -11.597 11.425 1.00 0.00 C ATOM 0 H VAL A 151 -8.666 -10.529 9.099 1.00 0.00 H new ATOM 0 HA VAL A 151 -9.230 -13.330 9.513 1.00 0.00 H new ATOM 0 HB VAL A 151 -8.304 -13.211 11.882 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -6.150 -14.176 11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -7.514 -14.788 10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -6.431 -13.549 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -6.221 -11.909 12.138 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -6.505 -11.155 10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -7.637 -10.860 11.892 1.00 0.00 H new