USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 49 ASN : amide:sc= -0.419! C(o=-0.45!,f=-12!) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.0266 K(o=-0.45,f=-1.5!) USER MOD Single : A 1 MET CE :methyl -147:sc= -0.136 (180deg=-1.2) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.202 (180deg=-1.34!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.992 K(o=-0.99,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.067 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -157:sc= -0.17 (180deg=-0.943) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.979 (180deg=-1.72) USER MOD Single : A 30 GLN : amide:sc= -1.76! K(o=-1.8!,f=0.23) USER MOD Single : A 33 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.4!) USER MOD Single : A 34 ASN : amide:sc= -0.878 X(o=-0.88,f=-0.44) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= -0.286 (180deg=-1.22!) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.055 (180deg=-0.48) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 52 SER OG : rot -140:sc= -0.175 USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= -4.56! (180deg=-9.31!) USER MOD Single : A 65 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.2!) USER MOD Single : A 70 THR OG1 : rot -32:sc= 0.29 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.275 -5.080 8.350 1.00 0.00 N ATOM 2 CA MET A 1 10.041 -3.618 8.190 1.00 0.00 C ATOM 3 C MET A 1 8.567 -3.370 7.857 1.00 0.00 C ATOM 4 O MET A 1 7.953 -4.118 7.123 1.00 0.00 O ATOM 5 CB MET A 1 10.918 -3.083 7.056 1.00 0.00 C ATOM 6 CG MET A 1 10.584 -3.825 5.761 1.00 0.00 C ATOM 7 SD MET A 1 11.861 -3.488 4.524 1.00 0.00 S ATOM 8 CE MET A 1 11.631 -1.694 4.443 1.00 0.00 C ATOM 0 H1 MET A 1 11.193 -5.332 7.932 1.00 0.00 H new ATOM 0 H2 MET A 1 10.276 -5.323 9.361 1.00 0.00 H new ATOM 0 H3 MET A 1 9.519 -5.607 7.868 1.00 0.00 H new ATOM 0 HA MET A 1 10.294 -3.105 9.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.753 -2.013 6.928 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.971 -3.216 7.303 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.520 -4.897 5.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.610 -3.508 5.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.834 -1.347 3.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.604 -1.446 4.713 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.316 -1.208 5.138 1.00 0.00 H new ATOM 20 N GLU A 2 7.996 -2.324 8.394 1.00 0.00 N ATOM 21 CA GLU A 2 6.560 -2.024 8.113 1.00 0.00 C ATOM 22 C GLU A 2 6.457 -1.145 6.866 1.00 0.00 C ATOM 23 O GLU A 2 7.196 -0.194 6.702 1.00 0.00 O ATOM 24 CB GLU A 2 5.957 -1.283 9.309 1.00 0.00 C ATOM 25 CG GLU A 2 4.519 -0.870 8.983 1.00 0.00 C ATOM 26 CD GLU A 2 3.799 -0.470 10.273 1.00 0.00 C ATOM 27 OE1 GLU A 2 3.271 -1.352 10.931 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.786 0.712 10.579 1.00 0.00 O ATOM 0 H GLU A 2 8.462 -1.663 9.016 1.00 0.00 H new ATOM 0 HA GLU A 2 6.018 -2.955 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.972 -1.923 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.555 -0.402 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.519 -0.037 8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.993 -1.694 8.501 1.00 0.00 H new ATOM 35 N LEU A 3 5.544 -1.453 5.985 1.00 0.00 N ATOM 36 CA LEU A 3 5.396 -0.632 4.750 1.00 0.00 C ATOM 37 C LEU A 3 4.018 -0.884 4.136 1.00 0.00 C ATOM 38 O LEU A 3 3.886 -1.624 3.185 1.00 0.00 O ATOM 39 CB LEU A 3 6.483 -1.026 3.737 1.00 0.00 C ATOM 40 CG LEU A 3 6.415 -0.123 2.484 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.108 1.217 2.752 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.115 -0.820 1.313 1.00 0.00 C ATOM 0 H LEU A 3 4.896 -2.236 6.067 1.00 0.00 H new ATOM 0 HA LEU A 3 5.499 0.424 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.466 -0.941 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.356 -2.069 3.447 1.00 0.00 H new ATOM 0 HG LEU A 3 5.368 0.058 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.051 1.841 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.613 1.723 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.153 1.042 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.067 -0.183 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.158 -1.005 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.619 -1.768 1.105 1.00 0.00 H new ATOM 54 N TRP A 4 2.995 -0.263 4.651 1.00 0.00 N ATOM 55 CA TRP A 4 1.643 -0.465 4.062 1.00 0.00 C ATOM 56 C TRP A 4 1.532 0.413 2.815 1.00 0.00 C ATOM 57 O TRP A 4 2.408 1.206 2.535 1.00 0.00 O ATOM 58 CB TRP A 4 0.573 -0.080 5.084 1.00 0.00 C ATOM 59 CG TRP A 4 0.655 -1.021 6.245 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.699 -1.100 7.102 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.314 -2.017 6.685 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.435 -2.078 8.044 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.208 -2.674 7.832 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.586 -2.415 6.208 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.505 -3.691 8.484 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.307 -3.437 6.862 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.766 -4.073 7.998 1.00 0.00 C ATOM 0 H TRP A 4 3.035 0.371 5.449 1.00 0.00 H new ATOM 0 HA TRP A 4 1.495 -1.511 3.792 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.723 0.946 5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.417 -0.126 4.630 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.594 -0.497 7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.069 -2.328 8.803 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.007 -1.933 5.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.087 -4.177 9.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.277 -3.733 6.491 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.322 -4.855 8.495 1.00 0.00 H new ATOM 78 N VAL A 5 0.479 0.269 2.051 1.00 0.00 N ATOM 79 CA VAL A 5 0.332 1.089 0.806 1.00 0.00 C ATOM 80 C VAL A 5 -1.104 1.600 0.681 1.00 0.00 C ATOM 81 O VAL A 5 -2.045 0.960 1.106 1.00 0.00 O ATOM 82 CB VAL A 5 0.679 0.216 -0.402 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.768 1.086 -1.654 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.027 -0.467 -0.163 1.00 0.00 C ATOM 0 H VAL A 5 -0.286 -0.380 2.234 1.00 0.00 H new ATOM 0 HA VAL A 5 1.004 1.946 0.850 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.096 -0.538 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.015 0.463 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.190 1.576 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.543 1.841 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.277 -1.090 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.799 0.290 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.967 -1.089 0.730 1.00 0.00 H new ATOM 94 N SER A 6 -1.275 2.762 0.101 1.00 0.00 N ATOM 95 CA SER A 6 -2.643 3.346 -0.060 1.00 0.00 C ATOM 96 C SER A 6 -3.144 3.080 -1.496 1.00 0.00 C ATOM 97 O SER A 6 -2.338 2.938 -2.394 1.00 0.00 O ATOM 98 CB SER A 6 -2.550 4.857 0.183 1.00 0.00 C ATOM 99 OG SER A 6 -2.538 5.107 1.582 1.00 0.00 O ATOM 0 H SER A 6 -0.519 3.336 -0.271 1.00 0.00 H new ATOM 0 HA SER A 6 -3.337 2.895 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.646 5.256 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.395 5.365 -0.282 1.00 0.00 H new ATOM 0 HG SER A 6 -2.477 6.072 1.741 1.00 0.00 H new ATOM 105 N PRO A 7 -4.452 3.026 -1.691 1.00 0.00 N ATOM 106 CA PRO A 7 -5.017 2.786 -3.036 1.00 0.00 C ATOM 107 C PRO A 7 -4.451 3.804 -4.040 1.00 0.00 C ATOM 108 O PRO A 7 -4.132 3.469 -5.164 1.00 0.00 O ATOM 109 CB PRO A 7 -6.547 2.949 -2.863 1.00 0.00 C ATOM 110 CG PRO A 7 -6.818 3.249 -1.359 1.00 0.00 C ATOM 111 CD PRO A 7 -5.463 3.191 -0.621 1.00 0.00 C ATOM 0 HA PRO A 7 -4.765 1.800 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.920 3.760 -3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.067 2.042 -3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.277 4.231 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.513 2.520 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.286 4.101 -0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.432 2.360 0.083 1.00 0.00 H new ATOM 119 N LYS A 8 -4.333 5.043 -3.645 1.00 0.00 N ATOM 120 CA LYS A 8 -3.798 6.074 -4.581 1.00 0.00 C ATOM 121 C LYS A 8 -2.386 5.684 -5.025 1.00 0.00 C ATOM 122 O LYS A 8 -1.940 6.047 -6.095 1.00 0.00 O ATOM 123 CB LYS A 8 -3.759 7.436 -3.876 1.00 0.00 C ATOM 124 CG LYS A 8 -2.696 7.419 -2.773 1.00 0.00 C ATOM 125 CD LYS A 8 -2.917 8.601 -1.826 1.00 0.00 C ATOM 126 CE LYS A 8 -2.711 9.914 -2.585 1.00 0.00 C ATOM 127 NZ LYS A 8 -2.557 11.031 -1.612 1.00 0.00 N ATOM 0 H LYS A 8 -4.583 5.385 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.445 6.138 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.536 8.223 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.736 7.663 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.748 6.482 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.700 7.474 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.924 8.564 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.224 8.542 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.827 9.845 -3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.560 10.104 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.417 11.923 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.413 11.101 -1.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.734 10.850 -1.003 1.00 0.00 H new ATOM 141 N GLU A 9 -1.680 4.945 -4.214 1.00 0.00 N ATOM 142 CA GLU A 9 -0.297 4.529 -4.592 1.00 0.00 C ATOM 143 C GLU A 9 -0.370 3.274 -5.464 1.00 0.00 C ATOM 144 O GLU A 9 0.516 2.998 -6.249 1.00 0.00 O ATOM 145 CB GLU A 9 0.507 4.226 -3.326 1.00 0.00 C ATOM 146 CG GLU A 9 0.908 5.537 -2.645 1.00 0.00 C ATOM 147 CD GLU A 9 1.671 5.230 -1.355 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.609 4.453 -1.416 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.305 5.779 -0.330 1.00 0.00 O ATOM 0 H GLU A 9 -2.000 4.610 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 9 0.190 5.332 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.086 3.617 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.397 3.649 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.529 6.132 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.021 6.130 -2.423 1.00 0.00 H new ATOM 156 N LEU A 10 -1.423 2.514 -5.335 1.00 0.00 N ATOM 157 CA LEU A 10 -1.562 1.278 -6.155 1.00 0.00 C ATOM 158 C LEU A 10 -2.107 1.653 -7.535 1.00 0.00 C ATOM 159 O LEU A 10 -1.906 0.953 -8.507 1.00 0.00 O ATOM 160 CB LEU A 10 -2.542 0.321 -5.471 1.00 0.00 C ATOM 161 CG LEU A 10 -1.977 -0.144 -4.120 1.00 0.00 C ATOM 162 CD1 LEU A 10 -3.045 -0.958 -3.382 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.722 -1.013 -4.335 1.00 0.00 C ATOM 0 H LEU A 10 -2.196 2.697 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.591 0.794 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.501 0.817 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.726 -0.541 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.701 0.729 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.650 -1.291 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.926 -0.337 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.320 -1.826 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.333 -1.335 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.983 -1.887 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.038 -0.432 -4.857 1.00 0.00 H new ATOM 175 N ALA A 11 -2.808 2.752 -7.613 1.00 0.00 N ATOM 176 CA ALA A 11 -3.385 3.204 -8.914 1.00 0.00 C ATOM 177 C ALA A 11 -2.275 3.539 -9.925 1.00 0.00 C ATOM 178 O ALA A 11 -2.452 4.395 -10.769 1.00 0.00 O ATOM 179 CB ALA A 11 -4.240 4.450 -8.673 1.00 0.00 C ATOM 0 H ALA A 11 -3.008 3.364 -6.822 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.992 2.397 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.666 4.787 -9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.044 4.210 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.620 5.241 -8.251 1.00 0.00 H new ATOM 185 N ASN A 12 -1.134 2.896 -9.856 1.00 0.00 N ATOM 186 CA ASN A 12 -0.038 3.220 -10.826 1.00 0.00 C ATOM 187 C ASN A 12 0.780 1.968 -11.161 1.00 0.00 C ATOM 188 O ASN A 12 1.634 1.999 -12.024 1.00 0.00 O ATOM 189 CB ASN A 12 0.882 4.274 -10.208 1.00 0.00 C ATOM 190 CG ASN A 12 0.059 5.497 -9.804 1.00 0.00 C ATOM 191 OD1 ASN A 12 -0.485 5.547 -8.718 1.00 0.00 O ATOM 192 ND2 ASN A 12 -0.060 6.494 -10.638 1.00 0.00 N ATOM 0 H ASN A 12 -0.914 2.167 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.484 3.600 -11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.391 3.862 -9.337 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.654 4.562 -10.922 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.609 7.314 -10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.396 6.454 -11.550 1.00 0.00 H new ATOM 199 N LEU A 13 0.535 0.864 -10.507 1.00 0.00 N ATOM 200 CA LEU A 13 1.315 -0.367 -10.831 1.00 0.00 C ATOM 201 C LEU A 13 0.718 -0.992 -12.108 1.00 0.00 C ATOM 202 O LEU A 13 -0.468 -0.865 -12.329 1.00 0.00 O ATOM 203 CB LEU A 13 1.207 -1.362 -9.667 1.00 0.00 C ATOM 204 CG LEU A 13 1.390 -0.629 -8.332 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.555 -1.653 -7.205 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.636 0.264 -8.392 1.00 0.00 C ATOM 0 H LEU A 13 -0.163 0.761 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 13 2.365 -0.122 -10.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.236 -1.857 -9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.964 -2.140 -9.771 1.00 0.00 H new ATOM 0 HG LEU A 13 0.513 -0.011 -8.142 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.685 -1.132 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.668 -2.284 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.430 -2.273 -7.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.759 0.781 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.515 -0.350 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.520 0.997 -9.191 1.00 0.00 H new ATOM 218 N PRO A 14 1.526 -1.644 -12.925 1.00 0.00 N ATOM 219 CA PRO A 14 1.012 -2.260 -14.166 1.00 0.00 C ATOM 220 C PRO A 14 -0.051 -3.320 -13.833 1.00 0.00 C ATOM 221 O PRO A 14 -1.192 -3.223 -14.242 1.00 0.00 O ATOM 222 CB PRO A 14 2.251 -2.900 -14.837 1.00 0.00 C ATOM 223 CG PRO A 14 3.446 -2.740 -13.855 1.00 0.00 C ATOM 224 CD PRO A 14 2.979 -1.823 -12.704 1.00 0.00 C ATOM 0 HA PRO A 14 0.530 -1.536 -14.823 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.070 -3.953 -15.053 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.467 -2.413 -15.788 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.759 -3.711 -13.470 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.307 -2.307 -14.365 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.178 -2.276 -11.733 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.502 -0.867 -12.723 1.00 0.00 H new ATOM 232 N GLY A 15 0.325 -4.333 -13.105 1.00 0.00 N ATOM 233 CA GLY A 15 -0.646 -5.409 -12.751 1.00 0.00 C ATOM 234 C GLY A 15 -1.962 -4.797 -12.268 1.00 0.00 C ATOM 235 O GLY A 15 -3.032 -5.285 -12.572 1.00 0.00 O ATOM 0 H GLY A 15 1.267 -4.464 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.829 -6.043 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.226 -6.046 -11.973 1.00 0.00 H new ATOM 239 N LEU A 16 -1.895 -3.734 -11.511 1.00 0.00 N ATOM 240 CA LEU A 16 -3.146 -3.093 -10.999 1.00 0.00 C ATOM 241 C LEU A 16 -3.575 -1.978 -11.976 1.00 0.00 C ATOM 242 O LEU A 16 -2.729 -1.373 -12.599 1.00 0.00 O ATOM 243 CB LEU A 16 -2.853 -2.477 -9.627 1.00 0.00 C ATOM 244 CG LEU A 16 -2.153 -3.505 -8.729 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.911 -2.879 -7.355 1.00 0.00 C ATOM 246 CD2 LEU A 16 -3.038 -4.750 -8.577 1.00 0.00 C ATOM 0 H LEU A 16 -1.028 -3.280 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.942 -3.832 -10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.224 -1.594 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.782 -2.148 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.203 -3.797 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.414 -3.602 -6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.282 -1.996 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.865 -2.593 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.536 -5.477 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.990 -4.467 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.217 -5.191 -9.558 1.00 0.00 H new ATOM 258 N PRO A 17 -4.866 -1.712 -12.091 1.00 0.00 N ATOM 259 CA PRO A 17 -5.340 -0.647 -12.996 1.00 0.00 C ATOM 260 C PRO A 17 -4.618 0.669 -12.669 1.00 0.00 C ATOM 261 O PRO A 17 -3.757 0.718 -11.813 1.00 0.00 O ATOM 262 CB PRO A 17 -6.863 -0.546 -12.736 1.00 0.00 C ATOM 263 CG PRO A 17 -7.228 -1.635 -11.683 1.00 0.00 C ATOM 264 CD PRO A 17 -5.939 -2.421 -11.357 1.00 0.00 C ATOM 0 HA PRO A 17 -5.137 -0.858 -14.046 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.125 0.446 -12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.421 -0.702 -13.659 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.634 -1.175 -10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.995 -2.303 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.743 -2.432 -10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.018 -3.460 -11.678 1.00 0.00 H new ATOM 272 N LYS A 18 -4.963 1.733 -13.348 1.00 0.00 N ATOM 273 CA LYS A 18 -4.304 3.050 -13.089 1.00 0.00 C ATOM 274 C LYS A 18 -5.215 3.917 -12.223 1.00 0.00 C ATOM 275 O LYS A 18 -4.860 5.014 -11.837 1.00 0.00 O ATOM 276 CB LYS A 18 -4.050 3.757 -14.420 1.00 0.00 C ATOM 277 CG LYS A 18 -3.269 2.818 -15.364 1.00 0.00 C ATOM 278 CD LYS A 18 -2.388 3.636 -16.324 1.00 0.00 C ATOM 279 CE LYS A 18 -1.041 3.955 -15.663 1.00 0.00 C ATOM 280 NZ LYS A 18 -0.262 4.875 -16.540 1.00 0.00 N ATOM 0 H LYS A 18 -5.678 1.747 -14.076 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.359 2.888 -12.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.997 4.044 -14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.485 4.674 -14.254 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.648 2.139 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.966 2.203 -15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.226 3.078 -17.246 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.896 4.561 -16.597 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.202 4.415 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.480 3.036 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.651 5.091 -16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.097 4.420 -17.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.796 5.756 -16.680 1.00 0.00 H new ATOM 294 N THR A 19 -6.392 3.429 -11.919 1.00 0.00 N ATOM 295 CA THR A 19 -7.357 4.207 -11.077 1.00 0.00 C ATOM 296 C THR A 19 -7.670 3.418 -9.806 1.00 0.00 C ATOM 297 O THR A 19 -8.011 2.253 -9.855 1.00 0.00 O ATOM 298 CB THR A 19 -8.650 4.427 -11.866 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.444 3.251 -11.806 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.312 4.744 -13.322 1.00 0.00 C ATOM 0 H THR A 19 -6.730 2.515 -12.221 1.00 0.00 H new ATOM 0 HA THR A 19 -6.919 5.169 -10.812 1.00 0.00 H new ATOM 0 HB THR A 19 -9.203 5.261 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.273 3.390 -12.309 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.233 4.901 -13.884 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.702 5.647 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.759 3.911 -13.757 1.00 0.00 H new ATOM 308 N SER A 20 -7.559 4.043 -8.666 1.00 0.00 N ATOM 309 CA SER A 20 -7.853 3.327 -7.394 1.00 0.00 C ATOM 310 C SER A 20 -9.238 2.685 -7.483 1.00 0.00 C ATOM 311 O SER A 20 -9.503 1.668 -6.873 1.00 0.00 O ATOM 312 CB SER A 20 -7.823 4.319 -6.231 1.00 0.00 C ATOM 313 OG SER A 20 -8.523 5.499 -6.604 1.00 0.00 O ATOM 0 H SER A 20 -7.278 5.018 -8.561 1.00 0.00 H new ATOM 0 HA SER A 20 -7.103 2.554 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.280 3.875 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.793 4.560 -5.970 1.00 0.00 H new ATOM 0 HG SER A 20 -8.508 6.137 -5.860 1.00 0.00 H new ATOM 319 N ALA A 21 -10.124 3.268 -8.241 1.00 0.00 N ATOM 320 CA ALA A 21 -11.491 2.688 -8.369 1.00 0.00 C ATOM 321 C ALA A 21 -11.380 1.224 -8.789 1.00 0.00 C ATOM 322 O ALA A 21 -12.021 0.356 -8.231 1.00 0.00 O ATOM 323 CB ALA A 21 -12.281 3.465 -9.424 1.00 0.00 C ATOM 0 H ALA A 21 -9.962 4.120 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.007 2.755 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.280 3.040 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.358 4.510 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.769 3.399 -10.384 1.00 0.00 H new ATOM 329 N GLY A 22 -10.566 0.943 -9.768 1.00 0.00 N ATOM 330 CA GLY A 22 -10.408 -0.465 -10.223 1.00 0.00 C ATOM 331 C GLY A 22 -9.682 -1.267 -9.143 1.00 0.00 C ATOM 332 O GLY A 22 -9.962 -2.428 -8.923 1.00 0.00 O ATOM 0 H GLY A 22 -10.003 1.628 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.384 -0.906 -10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.845 -0.497 -11.156 1.00 0.00 H new ATOM 336 N VAL A 23 -8.751 -0.654 -8.463 1.00 0.00 N ATOM 337 CA VAL A 23 -8.010 -1.381 -7.394 1.00 0.00 C ATOM 338 C VAL A 23 -8.968 -1.719 -6.253 1.00 0.00 C ATOM 339 O VAL A 23 -9.231 -2.870 -5.976 1.00 0.00 O ATOM 340 CB VAL A 23 -6.880 -0.500 -6.863 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.002 -1.318 -5.913 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.032 0.005 -8.032 1.00 0.00 C ATOM 0 H VAL A 23 -8.472 0.317 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.591 -2.300 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.303 0.350 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.195 -0.691 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.605 -1.678 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.580 -2.168 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.226 0.633 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.608 -0.844 -8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.657 0.586 -8.710 1.00 0.00 H new ATOM 352 N ILE A 24 -9.492 -0.726 -5.586 1.00 0.00 N ATOM 353 CA ILE A 24 -10.433 -1.000 -4.462 1.00 0.00 C ATOM 354 C ILE A 24 -11.514 -1.972 -4.941 1.00 0.00 C ATOM 355 O ILE A 24 -11.888 -2.890 -4.237 1.00 0.00 O ATOM 356 CB ILE A 24 -11.067 0.316 -3.992 1.00 0.00 C ATOM 357 CG1 ILE A 24 -9.942 1.296 -3.624 1.00 0.00 C ATOM 358 CG2 ILE A 24 -11.951 0.059 -2.762 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.519 2.530 -2.921 1.00 0.00 C ATOM 0 H ILE A 24 -9.310 0.261 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.896 -1.447 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.684 0.735 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.220 0.803 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.406 1.599 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.398 0.997 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.739 -0.648 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.343 -0.355 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.710 3.215 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.223 3.031 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.034 2.223 -2.011 1.00 0.00 H new ATOM 371 N TYR A 25 -12.009 -1.794 -6.134 1.00 0.00 N ATOM 372 CA TYR A 25 -13.050 -2.728 -6.643 1.00 0.00 C ATOM 373 C TYR A 25 -12.464 -4.139 -6.673 1.00 0.00 C ATOM 374 O TYR A 25 -13.096 -5.099 -6.279 1.00 0.00 O ATOM 375 CB TYR A 25 -13.470 -2.315 -8.056 1.00 0.00 C ATOM 376 CG TYR A 25 -14.424 -3.342 -8.617 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.801 -3.249 -8.341 1.00 0.00 C ATOM 378 CD2 TYR A 25 -13.936 -4.394 -9.417 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.691 -4.208 -8.863 1.00 0.00 C ATOM 380 CE2 TYR A 25 -14.825 -5.352 -9.939 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.203 -5.259 -9.663 1.00 0.00 C ATOM 382 OH TYR A 25 -17.074 -6.198 -10.175 1.00 0.00 O ATOM 0 H TYR A 25 -11.740 -1.047 -6.774 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.925 -2.700 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.946 -1.335 -8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.593 -2.229 -8.697 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.175 -2.442 -7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.880 -4.465 -9.630 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.747 -4.137 -8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.450 -6.159 -10.551 1.00 0.00 H new ATOM 0 HH TYR A 25 -16.574 -6.853 -10.705 1.00 0.00 H new ATOM 392 N VAL A 26 -11.249 -4.265 -7.133 1.00 0.00 N ATOM 393 CA VAL A 26 -10.599 -5.604 -7.187 1.00 0.00 C ATOM 394 C VAL A 26 -10.173 -6.009 -5.773 1.00 0.00 C ATOM 395 O VAL A 26 -9.987 -7.174 -5.481 1.00 0.00 O ATOM 396 CB VAL A 26 -9.371 -5.527 -8.104 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.515 -6.787 -7.946 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.832 -5.409 -9.558 1.00 0.00 C ATOM 0 H VAL A 26 -10.676 -3.493 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.295 -6.346 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.777 -4.655 -7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.646 -6.721 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.183 -6.874 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.105 -7.664 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.962 -5.354 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.430 -6.281 -9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.433 -4.507 -9.677 1.00 0.00 H new ATOM 408 N ALA A 27 -10.024 -5.058 -4.890 1.00 0.00 N ATOM 409 CA ALA A 27 -9.618 -5.398 -3.499 1.00 0.00 C ATOM 410 C ALA A 27 -10.707 -6.262 -2.872 1.00 0.00 C ATOM 411 O ALA A 27 -10.442 -7.123 -2.060 1.00 0.00 O ATOM 412 CB ALA A 27 -9.444 -4.114 -2.683 1.00 0.00 C ATOM 0 H ALA A 27 -10.166 -4.064 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.672 -5.940 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.147 -4.367 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.675 -3.493 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.386 -3.567 -2.660 1.00 0.00 H new ATOM 418 N LYS A 28 -11.935 -6.047 -3.254 1.00 0.00 N ATOM 419 CA LYS A 28 -13.041 -6.866 -2.693 1.00 0.00 C ATOM 420 C LYS A 28 -12.945 -8.279 -3.269 1.00 0.00 C ATOM 421 O LYS A 28 -13.286 -9.250 -2.623 1.00 0.00 O ATOM 422 CB LYS A 28 -14.384 -6.236 -3.075 1.00 0.00 C ATOM 423 CG LYS A 28 -14.454 -4.809 -2.520 1.00 0.00 C ATOM 424 CD LYS A 28 -15.571 -4.036 -3.226 1.00 0.00 C ATOM 425 CE LYS A 28 -15.622 -2.605 -2.685 1.00 0.00 C ATOM 426 NZ LYS A 28 -15.579 -2.636 -1.196 1.00 0.00 N ATOM 0 H LYS A 28 -12.219 -5.339 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.965 -6.907 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.496 -6.222 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.204 -6.833 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.639 -4.835 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.499 -4.304 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.395 -4.023 -4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.529 -4.531 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.782 -2.028 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.532 -2.109 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.993 -1.760 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.122 -3.452 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.592 -2.718 -0.879 1.00 0.00 H new ATOM 440 N LYS A 29 -12.472 -8.398 -4.481 1.00 0.00 N ATOM 441 CA LYS A 29 -12.339 -9.745 -5.104 1.00 0.00 C ATOM 442 C LYS A 29 -11.291 -10.555 -4.332 1.00 0.00 C ATOM 443 O LYS A 29 -11.012 -11.694 -4.648 1.00 0.00 O ATOM 444 CB LYS A 29 -11.902 -9.590 -6.566 1.00 0.00 C ATOM 445 CG LYS A 29 -11.954 -10.950 -7.274 1.00 0.00 C ATOM 446 CD LYS A 29 -11.945 -10.741 -8.790 1.00 0.00 C ATOM 447 CE LYS A 29 -10.733 -9.896 -9.182 1.00 0.00 C ATOM 448 NZ LYS A 29 -9.530 -10.381 -8.447 1.00 0.00 N ATOM 0 H LYS A 29 -12.172 -7.619 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.297 -10.264 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.553 -8.880 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.891 -9.185 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.101 -11.559 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.852 -11.492 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.911 -11.704 -9.300 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.864 -10.246 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.565 -9.959 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.917 -8.847 -8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.680 -10.209 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.447 -9.872 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.623 -11.400 -8.263 1.00 0.00 H new ATOM 462 N GLN A 30 -10.712 -9.970 -3.317 1.00 0.00 N ATOM 463 CA GLN A 30 -9.681 -10.689 -2.510 1.00 0.00 C ATOM 464 C GLN A 30 -9.730 -10.169 -1.073 1.00 0.00 C ATOM 465 O GLN A 30 -10.085 -10.881 -0.156 1.00 0.00 O ATOM 466 CB GLN A 30 -8.293 -10.427 -3.102 1.00 0.00 C ATOM 467 CG GLN A 30 -8.207 -11.053 -4.495 1.00 0.00 C ATOM 468 CD GLN A 30 -6.753 -11.037 -4.973 1.00 0.00 C ATOM 469 OE1 GLN A 30 -6.160 -12.076 -5.184 1.00 0.00 O ATOM 470 NE2 GLN A 30 -6.151 -9.894 -5.153 1.00 0.00 N ATOM 0 H GLN A 30 -10.910 -9.018 -3.010 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.880 -11.761 -2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.108 -9.355 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.524 -10.848 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.581 -12.076 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.837 -10.501 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.649 -9.022 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.182 -9.872 -5.471 1.00 0.00 H new ATOM 479 N GLY A 31 -9.390 -8.923 -0.874 1.00 0.00 N ATOM 480 CA GLY A 31 -9.433 -8.335 0.499 1.00 0.00 C ATOM 481 C GLY A 31 -8.048 -8.391 1.144 1.00 0.00 C ATOM 482 O GLY A 31 -7.879 -8.934 2.218 1.00 0.00 O ATOM 0 H GLY A 31 -9.083 -8.283 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.777 -7.302 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.150 -8.880 1.113 1.00 0.00 H new ATOM 486 N TRP A 32 -7.054 -7.822 0.515 1.00 0.00 N ATOM 487 CA TRP A 32 -5.697 -7.844 1.125 1.00 0.00 C ATOM 488 C TRP A 32 -5.787 -7.275 2.543 1.00 0.00 C ATOM 489 O TRP A 32 -6.531 -6.351 2.801 1.00 0.00 O ATOM 490 CB TRP A 32 -4.731 -6.991 0.299 1.00 0.00 C ATOM 491 CG TRP A 32 -4.846 -7.337 -1.151 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.676 -8.574 -1.673 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.094 -6.447 -2.276 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.837 -8.507 -3.046 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.089 -7.218 -3.469 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.333 -5.057 -2.377 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.311 -6.629 -4.722 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.553 -4.460 -3.635 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.542 -5.245 -4.805 1.00 0.00 C ATOM 0 H TRP A 32 -7.123 -7.348 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.328 -8.869 1.150 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.951 -5.934 0.446 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.708 -7.154 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.451 -9.468 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.777 -9.312 -3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.347 -4.449 -1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.305 -7.234 -5.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.731 -3.397 -3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.711 -4.783 -5.766 1.00 0.00 H new ATOM 510 N GLN A 33 -5.039 -7.819 3.466 1.00 0.00 N ATOM 511 CA GLN A 33 -5.092 -7.302 4.865 1.00 0.00 C ATOM 512 C GLN A 33 -5.002 -5.774 4.853 1.00 0.00 C ATOM 513 O GLN A 33 -3.929 -5.209 4.788 1.00 0.00 O ATOM 514 CB GLN A 33 -3.918 -7.872 5.664 1.00 0.00 C ATOM 515 CG GLN A 33 -4.026 -7.416 7.120 1.00 0.00 C ATOM 516 CD GLN A 33 -2.951 -8.113 7.956 1.00 0.00 C ATOM 517 OE1 GLN A 33 -2.551 -9.219 7.652 1.00 0.00 O ATOM 518 NE2 GLN A 33 -2.465 -7.509 9.006 1.00 0.00 N ATOM 0 H GLN A 33 -4.396 -8.596 3.313 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.031 -7.607 5.326 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.922 -8.961 5.611 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.974 -7.536 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.906 -6.334 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.015 -7.650 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.801 -6.580 9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.749 -7.966 9.571 1.00 0.00 H new ATOM 527 N ASN A 34 -6.125 -5.101 4.910 1.00 0.00 N ATOM 528 CA ASN A 34 -6.115 -3.603 4.898 1.00 0.00 C ATOM 529 C ASN A 34 -6.291 -3.077 6.325 1.00 0.00 C ATOM 530 O ASN A 34 -7.276 -3.350 6.981 1.00 0.00 O ATOM 531 CB ASN A 34 -7.271 -3.093 4.025 1.00 0.00 C ATOM 532 CG ASN A 34 -8.521 -3.934 4.292 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.165 -3.780 5.311 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.893 -4.825 3.414 1.00 0.00 N ATOM 0 H ASN A 34 -7.051 -5.525 4.964 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.166 -3.251 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.471 -2.044 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.998 -3.152 2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.724 -5.392 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.353 -4.955 2.559 1.00 0.00 H new ATOM 541 N ARG A 35 -5.348 -2.310 6.807 1.00 0.00 N ATOM 542 CA ARG A 35 -5.466 -1.751 8.185 1.00 0.00 C ATOM 543 C ARG A 35 -6.246 -0.437 8.120 1.00 0.00 C ATOM 544 O ARG A 35 -5.777 0.546 7.581 1.00 0.00 O ATOM 545 CB ARG A 35 -4.068 -1.491 8.755 1.00 0.00 C ATOM 546 CG ARG A 35 -4.183 -0.744 10.087 1.00 0.00 C ATOM 547 CD ARG A 35 -2.836 -0.781 10.811 1.00 0.00 C ATOM 548 NE ARG A 35 -2.971 -0.130 12.144 1.00 0.00 N ATOM 549 CZ ARG A 35 -2.050 -0.305 13.052 1.00 0.00 C ATOM 550 NH1 ARG A 35 -1.011 -1.052 12.791 1.00 0.00 N ATOM 551 NH2 ARG A 35 -2.166 0.267 14.219 1.00 0.00 N ATOM 0 H ARG A 35 -4.500 -2.047 6.304 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.988 -2.459 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.543 -2.435 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.480 -0.905 8.048 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.486 0.288 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.954 -1.201 10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.503 -1.812 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.078 -0.268 10.219 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.783 0.453 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.920 -1.498 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.291 -1.189 13.500 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.977 0.851 14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.446 0.130 14.928 1.00 0.00 H new ATOM 565 N THR A 36 -7.436 -0.410 8.658 1.00 0.00 N ATOM 566 CA THR A 36 -8.248 0.844 8.618 1.00 0.00 C ATOM 567 C THR A 36 -7.993 1.655 9.894 1.00 0.00 C ATOM 568 O THR A 36 -8.708 1.542 10.871 1.00 0.00 O ATOM 569 CB THR A 36 -9.740 0.474 8.508 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.869 -0.735 7.775 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.503 1.584 7.789 1.00 0.00 C ATOM 0 H THR A 36 -7.882 -1.201 9.123 1.00 0.00 H new ATOM 0 HA THR A 36 -7.965 1.447 7.755 1.00 0.00 H new ATOM 0 HB THR A 36 -10.153 0.348 9.509 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.816 -0.975 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.556 1.313 7.716 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.405 2.514 8.349 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.093 1.718 6.788 1.00 0.00 H new ATOM 579 N ARG A 37 -6.975 2.474 9.892 1.00 0.00 N ATOM 580 CA ARG A 37 -6.666 3.296 11.100 1.00 0.00 C ATOM 581 C ARG A 37 -7.416 4.627 11.011 1.00 0.00 C ATOM 582 O ARG A 37 -7.075 5.488 10.226 1.00 0.00 O ATOM 583 CB ARG A 37 -5.158 3.558 11.161 1.00 0.00 C ATOM 584 CG ARG A 37 -4.802 4.321 12.446 1.00 0.00 C ATOM 585 CD ARG A 37 -5.119 3.467 13.684 1.00 0.00 C ATOM 586 NE ARG A 37 -4.215 3.864 14.800 1.00 0.00 N ATOM 587 CZ ARG A 37 -4.488 3.498 16.022 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.554 2.785 16.268 1.00 0.00 N ATOM 589 NH2 ARG A 37 -3.696 3.845 17.000 1.00 0.00 N ATOM 0 H ARG A 37 -6.342 2.610 9.104 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.978 2.763 11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.616 2.613 11.129 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.846 4.134 10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.744 4.583 12.439 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.362 5.255 12.488 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.160 3.604 13.978 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.989 2.410 13.454 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.383 4.422 14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.174 2.514 15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.767 2.499 17.224 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.863 4.402 16.809 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.910 3.559 17.955 1.00 0.00 H new ATOM 603 N ALA A 38 -8.435 4.796 11.808 1.00 0.00 N ATOM 604 CA ALA A 38 -9.210 6.069 11.775 1.00 0.00 C ATOM 605 C ALA A 38 -8.411 7.175 12.470 1.00 0.00 C ATOM 606 O ALA A 38 -8.888 7.814 13.387 1.00 0.00 O ATOM 607 CB ALA A 38 -10.543 5.873 12.499 1.00 0.00 C ATOM 0 H ALA A 38 -8.765 4.106 12.482 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.396 6.352 10.739 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.110 6.803 12.475 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.114 5.087 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.356 5.588 13.534 1.00 0.00 H new ATOM 613 N GLY A 39 -7.196 7.406 12.045 1.00 0.00 N ATOM 614 CA GLY A 39 -6.359 8.470 12.682 1.00 0.00 C ATOM 615 C GLY A 39 -5.508 9.163 11.616 1.00 0.00 C ATOM 616 O GLY A 39 -4.683 10.001 11.918 1.00 0.00 O ATOM 0 H GLY A 39 -6.745 6.902 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.998 9.198 13.182 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.717 8.032 13.446 1.00 0.00 H new ATOM 620 N VAL A 40 -5.705 8.824 10.370 1.00 0.00 N ATOM 621 CA VAL A 40 -4.910 9.467 9.284 1.00 0.00 C ATOM 622 C VAL A 40 -5.615 10.746 8.836 1.00 0.00 C ATOM 623 O VAL A 40 -5.251 11.838 9.224 1.00 0.00 O ATOM 624 CB VAL A 40 -4.798 8.507 8.097 1.00 0.00 C ATOM 625 CG1 VAL A 40 -4.002 9.174 6.974 1.00 0.00 C ATOM 626 CG2 VAL A 40 -4.080 7.229 8.541 1.00 0.00 C ATOM 0 H VAL A 40 -6.383 8.129 10.057 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.913 9.706 9.653 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.796 8.258 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.922 8.490 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.512 10.084 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.004 9.424 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.000 6.545 7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.082 7.479 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.646 6.753 9.341 1.00 0.00 H new ATOM 636 N LYS A 41 -6.629 10.615 8.025 1.00 0.00 N ATOM 637 CA LYS A 41 -7.373 11.818 7.548 1.00 0.00 C ATOM 638 C LYS A 41 -8.485 12.149 8.545 1.00 0.00 C ATOM 639 O LYS A 41 -9.098 13.196 8.484 1.00 0.00 O ATOM 640 CB LYS A 41 -7.987 11.526 6.176 1.00 0.00 C ATOM 641 CG LYS A 41 -8.876 12.698 5.749 1.00 0.00 C ATOM 642 CD LYS A 41 -9.172 12.597 4.252 1.00 0.00 C ATOM 643 CE LYS A 41 -10.268 13.598 3.880 1.00 0.00 C ATOM 644 NZ LYS A 41 -11.490 13.320 4.687 1.00 0.00 N ATOM 0 H LYS A 41 -6.976 9.724 7.670 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.690 12.664 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.199 11.368 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.573 10.608 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.807 12.687 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.380 13.643 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.268 12.801 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.489 11.585 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.923 14.616 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.497 13.524 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.334 13.595 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.536 12.305 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.454 13.866 5.571 1.00 0.00 H new ATOM 658 N GLY A 42 -8.749 11.261 9.466 1.00 0.00 N ATOM 659 CA GLY A 42 -9.823 11.518 10.469 1.00 0.00 C ATOM 660 C GLY A 42 -11.172 11.095 9.888 1.00 0.00 C ATOM 661 O GLY A 42 -12.184 11.727 10.116 1.00 0.00 O ATOM 0 H GLY A 42 -8.267 10.368 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.620 10.964 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.844 12.575 10.733 1.00 0.00 H new ATOM 665 N GLY A 43 -11.195 10.028 9.135 1.00 0.00 N ATOM 666 CA GLY A 43 -12.480 9.566 8.537 1.00 0.00 C ATOM 667 C GLY A 43 -12.331 8.126 8.042 1.00 0.00 C ATOM 668 O GLY A 43 -12.674 7.808 6.921 1.00 0.00 O ATOM 0 H GLY A 43 -10.380 9.457 8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.278 9.626 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.762 10.218 7.710 1.00 0.00 H new ATOM 672 N LYS A 44 -11.825 7.251 8.868 1.00 0.00 N ATOM 673 CA LYS A 44 -11.660 5.832 8.443 1.00 0.00 C ATOM 674 C LYS A 44 -10.865 5.789 7.128 1.00 0.00 C ATOM 675 O LYS A 44 -11.419 5.805 6.048 1.00 0.00 O ATOM 676 CB LYS A 44 -13.063 5.192 8.292 1.00 0.00 C ATOM 677 CG LYS A 44 -13.067 4.041 7.259 1.00 0.00 C ATOM 678 CD LYS A 44 -14.150 3.016 7.619 1.00 0.00 C ATOM 679 CE LYS A 44 -14.273 1.986 6.494 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.864 2.636 5.290 1.00 0.00 N ATOM 0 H LYS A 44 -11.519 7.458 9.819 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.104 5.262 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.394 4.813 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.779 5.955 7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.248 4.438 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.090 3.558 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.898 2.519 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.105 3.519 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.293 1.574 6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.899 1.153 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.289 1.911 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.597 3.312 5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.119 3.139 4.766 1.00 0.00 H new ATOM 694 N ALA A 45 -9.561 5.730 7.223 1.00 0.00 N ATOM 695 CA ALA A 45 -8.708 5.672 5.997 1.00 0.00 C ATOM 696 C ALA A 45 -8.363 4.210 5.700 1.00 0.00 C ATOM 697 O ALA A 45 -7.965 3.470 6.577 1.00 0.00 O ATOM 698 CB ALA A 45 -7.419 6.460 6.237 1.00 0.00 C ATOM 0 H ALA A 45 -9.047 5.719 8.104 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.244 6.104 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.796 6.419 5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.664 7.498 6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.878 6.025 7.077 1.00 0.00 H new ATOM 704 N ILE A 46 -8.513 3.781 4.474 1.00 0.00 N ATOM 705 CA ILE A 46 -8.192 2.362 4.132 1.00 0.00 C ATOM 706 C ILE A 46 -6.721 2.250 3.724 1.00 0.00 C ATOM 707 O ILE A 46 -6.168 3.130 3.095 1.00 0.00 O ATOM 708 CB ILE A 46 -9.079 1.900 2.969 1.00 0.00 C ATOM 709 CG1 ILE A 46 -10.549 2.162 3.326 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.870 0.398 2.714 1.00 0.00 C ATOM 711 CD1 ILE A 46 -11.466 1.475 2.307 1.00 0.00 C ATOM 0 H ILE A 46 -8.843 4.351 3.695 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.376 1.733 5.003 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.813 2.452 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.761 1.789 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.744 3.234 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.503 0.078 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.825 0.213 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.133 -0.163 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.507 1.666 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.263 1.869 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.281 0.401 2.317 1.00 0.00 H new ATOM 723 N GLU A 47 -6.093 1.157 4.072 1.00 0.00 N ATOM 724 CA GLU A 47 -4.660 0.941 3.710 1.00 0.00 C ATOM 725 C GLU A 47 -4.506 -0.493 3.202 1.00 0.00 C ATOM 726 O GLU A 47 -5.428 -1.279 3.275 1.00 0.00 O ATOM 727 CB GLU A 47 -3.779 1.139 4.951 1.00 0.00 C ATOM 728 CG GLU A 47 -3.603 2.634 5.239 1.00 0.00 C ATOM 729 CD GLU A 47 -4.924 3.220 5.741 1.00 0.00 C ATOM 730 OE1 GLU A 47 -5.418 2.738 6.747 1.00 0.00 O ATOM 731 OE2 GLU A 47 -5.418 4.139 5.110 1.00 0.00 O ATOM 0 H GLU A 47 -6.518 0.394 4.599 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.356 1.651 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.233 0.646 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.806 0.674 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.822 2.781 5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.283 3.153 4.336 1.00 0.00 H new ATOM 738 N TYR A 48 -3.355 -0.842 2.684 1.00 0.00 N ATOM 739 CA TYR A 48 -3.144 -2.234 2.170 1.00 0.00 C ATOM 740 C TYR A 48 -1.781 -2.752 2.628 1.00 0.00 C ATOM 741 O TYR A 48 -0.784 -2.066 2.541 1.00 0.00 O ATOM 742 CB TYR A 48 -3.194 -2.226 0.641 1.00 0.00 C ATOM 743 CG TYR A 48 -4.592 -1.875 0.184 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.661 -2.747 0.462 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.828 -0.676 -0.518 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.964 -2.424 0.038 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.130 -0.353 -0.943 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.198 -1.227 -0.665 1.00 0.00 C ATOM 749 OH TYR A 48 -8.475 -0.909 -1.080 1.00 0.00 O ATOM 0 H TYR A 48 -2.549 -0.223 2.594 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.928 -2.883 2.559 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.479 -1.504 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.907 -3.203 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.482 -3.665 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.009 -0.005 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.784 -3.094 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.310 0.565 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.690 0.007 -0.805 1.00 0.00 H new ATOM 759 N ASN A 49 -1.724 -3.965 3.108 1.00 0.00 N ATOM 760 CA ASN A 49 -0.419 -4.522 3.557 1.00 0.00 C ATOM 761 C ASN A 49 0.392 -4.935 2.328 1.00 0.00 C ATOM 762 O ASN A 49 0.002 -5.808 1.579 1.00 0.00 O ATOM 763 CB ASN A 49 -0.660 -5.744 4.446 1.00 0.00 C ATOM 764 CG ASN A 49 0.685 -6.342 4.866 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.718 -5.964 4.351 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.716 -7.266 5.787 1.00 0.00 N ATOM 0 H ASN A 49 -2.523 -4.591 3.208 1.00 0.00 H new ATOM 0 HA ASN A 49 0.127 -3.769 4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.234 -5.458 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.249 -6.487 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.607 -7.670 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.151 -7.584 6.220 1.00 0.00 H new ATOM 773 N ALA A 50 1.511 -4.304 2.107 1.00 0.00 N ATOM 774 CA ALA A 50 2.341 -4.648 0.919 1.00 0.00 C ATOM 775 C ALA A 50 2.636 -6.150 0.900 1.00 0.00 C ATOM 776 O ALA A 50 2.698 -6.765 -0.146 1.00 0.00 O ATOM 777 CB ALA A 50 3.655 -3.869 0.979 1.00 0.00 C ATOM 0 H ALA A 50 1.887 -3.563 2.699 1.00 0.00 H new ATOM 0 HA ALA A 50 1.797 -4.383 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.266 -4.118 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.444 -2.800 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.193 -4.133 1.889 1.00 0.00 H new ATOM 783 N ASN A 51 2.819 -6.750 2.044 1.00 0.00 N ATOM 784 CA ASN A 51 3.117 -8.210 2.076 1.00 0.00 C ATOM 785 C ASN A 51 1.890 -8.996 1.606 1.00 0.00 C ATOM 786 O ASN A 51 1.987 -10.146 1.227 1.00 0.00 O ATOM 787 CB ASN A 51 3.470 -8.625 3.505 1.00 0.00 C ATOM 788 CG ASN A 51 4.701 -7.848 3.973 1.00 0.00 C ATOM 789 OD1 ASN A 51 4.628 -6.659 4.215 1.00 0.00 O ATOM 790 ND2 ASN A 51 5.838 -8.473 4.112 1.00 0.00 N ATOM 0 H ASN A 51 2.775 -6.294 2.955 1.00 0.00 H new ATOM 0 HA ASN A 51 3.957 -8.423 1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.629 -8.429 4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.666 -9.696 3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.665 -7.964 4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.900 -9.471 3.909 1.00 0.00 H new ATOM 797 N SER A 52 0.738 -8.384 1.627 1.00 0.00 N ATOM 798 CA SER A 52 -0.499 -9.092 1.180 1.00 0.00 C ATOM 799 C SER A 52 -0.696 -8.883 -0.326 1.00 0.00 C ATOM 800 O SER A 52 -1.479 -9.563 -0.958 1.00 0.00 O ATOM 801 CB SER A 52 -1.698 -8.530 1.940 1.00 0.00 C ATOM 802 OG SER A 52 -1.556 -8.824 3.324 1.00 0.00 O ATOM 0 H SER A 52 0.598 -7.422 1.935 1.00 0.00 H new ATOM 0 HA SER A 52 -0.406 -10.159 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.766 -7.452 1.790 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.622 -8.964 1.557 1.00 0.00 H new ATOM 0 HG SER A 52 -2.427 -9.075 3.696 1.00 0.00 H new ATOM 808 N LEU A 53 0.011 -7.948 -0.905 1.00 0.00 N ATOM 809 CA LEU A 53 -0.134 -7.699 -2.371 1.00 0.00 C ATOM 810 C LEU A 53 0.443 -8.898 -3.149 1.00 0.00 C ATOM 811 O LEU A 53 1.358 -9.536 -2.668 1.00 0.00 O ATOM 812 CB LEU A 53 0.659 -6.439 -2.745 1.00 0.00 C ATOM 813 CG LEU A 53 0.010 -5.185 -2.143 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.880 -3.968 -2.485 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.409 -4.981 -2.715 1.00 0.00 C ATOM 0 H LEU A 53 0.682 -7.346 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.187 -7.567 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.685 -6.530 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.707 -6.343 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.067 -5.304 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.430 -3.069 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.878 -4.105 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.951 -3.864 -3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.853 -4.087 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.352 -4.864 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.026 -5.847 -2.476 1.00 0.00 H new ATOM 827 N PRO A 54 -0.080 -9.177 -4.336 1.00 0.00 N ATOM 828 CA PRO A 54 0.437 -10.295 -5.149 1.00 0.00 C ATOM 829 C PRO A 54 1.940 -10.097 -5.404 1.00 0.00 C ATOM 830 O PRO A 54 2.622 -9.421 -4.660 1.00 0.00 O ATOM 831 CB PRO A 54 -0.375 -10.244 -6.467 1.00 0.00 C ATOM 832 CG PRO A 54 -1.336 -9.024 -6.375 1.00 0.00 C ATOM 833 CD PRO A 54 -1.201 -8.431 -4.956 1.00 0.00 C ATOM 0 HA PRO A 54 0.328 -11.262 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.291 -10.144 -7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.938 -11.167 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.081 -8.278 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.364 -9.331 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.992 -7.362 -4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.122 -8.556 -4.386 1.00 0.00 H new ATOM 841 N VAL A 55 2.458 -10.684 -6.451 1.00 0.00 N ATOM 842 CA VAL A 55 3.914 -10.536 -6.760 1.00 0.00 C ATOM 843 C VAL A 55 4.116 -9.427 -7.797 1.00 0.00 C ATOM 844 O VAL A 55 5.079 -8.689 -7.751 1.00 0.00 O ATOM 845 CB VAL A 55 4.441 -11.852 -7.328 1.00 0.00 C ATOM 846 CG1 VAL A 55 5.961 -11.768 -7.484 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.089 -12.996 -6.374 1.00 0.00 C ATOM 0 H VAL A 55 1.935 -11.262 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 55 4.452 -10.280 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 55 3.985 -12.036 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.338 -12.707 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.213 -10.953 -8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.417 -11.584 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.465 -13.936 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.545 -12.812 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.006 -13.056 -6.262 1.00 0.00 H new ATOM 857 N GLU A 56 3.221 -9.313 -8.740 1.00 0.00 N ATOM 858 CA GLU A 56 3.370 -8.261 -9.786 1.00 0.00 C ATOM 859 C GLU A 56 3.373 -6.873 -9.140 1.00 0.00 C ATOM 860 O GLU A 56 4.075 -5.980 -9.573 1.00 0.00 O ATOM 861 CB GLU A 56 2.205 -8.360 -10.775 1.00 0.00 C ATOM 862 CG GLU A 56 2.411 -9.571 -11.687 1.00 0.00 C ATOM 863 CD GLU A 56 3.487 -9.254 -12.727 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.356 -8.242 -13.396 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.422 -10.030 -12.838 1.00 0.00 O ATOM 0 H GLU A 56 2.394 -9.902 -8.832 1.00 0.00 H new ATOM 0 HA GLU A 56 4.313 -8.411 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.263 -8.454 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.141 -7.449 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.707 -10.438 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.475 -9.828 -12.184 1.00 0.00 H new ATOM 872 N ALA A 57 2.595 -6.678 -8.112 1.00 0.00 N ATOM 873 CA ALA A 57 2.562 -5.341 -7.456 1.00 0.00 C ATOM 874 C ALA A 57 3.790 -5.181 -6.558 1.00 0.00 C ATOM 875 O ALA A 57 4.272 -4.090 -6.340 1.00 0.00 O ATOM 876 CB ALA A 57 1.288 -5.221 -6.619 1.00 0.00 C ATOM 0 H ALA A 57 1.984 -7.382 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 57 2.571 -4.559 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.260 -4.244 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.417 -5.332 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.278 -6.001 -5.858 1.00 0.00 H new ATOM 882 N LYS A 58 4.304 -6.261 -6.039 1.00 0.00 N ATOM 883 CA LYS A 58 5.506 -6.169 -5.161 1.00 0.00 C ATOM 884 C LYS A 58 6.645 -5.498 -5.941 1.00 0.00 C ATOM 885 O LYS A 58 7.149 -4.460 -5.562 1.00 0.00 O ATOM 886 CB LYS A 58 5.931 -7.593 -4.741 1.00 0.00 C ATOM 887 CG LYS A 58 5.296 -7.972 -3.386 1.00 0.00 C ATOM 888 CD LYS A 58 6.214 -7.527 -2.229 1.00 0.00 C ATOM 889 CE LYS A 58 5.389 -7.297 -0.961 1.00 0.00 C ATOM 890 NZ LYS A 58 4.776 -5.942 -1.020 1.00 0.00 N ATOM 0 H LYS A 58 3.944 -7.204 -6.184 1.00 0.00 H new ATOM 0 HA LYS A 58 5.278 -5.580 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.627 -8.309 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.017 -7.647 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.319 -7.499 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.135 -9.049 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.974 -8.286 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.738 -6.611 -2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.613 -8.058 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.023 -7.385 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.093 -5.382 -0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.066 -5.468 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.740 -6.029 -1.000 1.00 0.00 H new ATOM 904 N ALA A 59 7.056 -6.097 -7.025 1.00 0.00 N ATOM 905 CA ALA A 59 8.163 -5.515 -7.831 1.00 0.00 C ATOM 906 C ALA A 59 7.842 -4.062 -8.185 1.00 0.00 C ATOM 907 O ALA A 59 8.644 -3.170 -7.984 1.00 0.00 O ATOM 908 CB ALA A 59 8.326 -6.326 -9.119 1.00 0.00 C ATOM 0 H ALA A 59 6.670 -6.969 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 59 9.086 -5.547 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.136 -5.904 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.559 -7.361 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.399 -6.291 -9.691 1.00 0.00 H new ATOM 914 N ALA A 60 6.678 -3.815 -8.718 1.00 0.00 N ATOM 915 CA ALA A 60 6.315 -2.421 -9.096 1.00 0.00 C ATOM 916 C ALA A 60 6.231 -1.544 -7.846 1.00 0.00 C ATOM 917 O ALA A 60 6.459 -0.352 -7.902 1.00 0.00 O ATOM 918 CB ALA A 60 4.963 -2.424 -9.810 1.00 0.00 C ATOM 0 H ALA A 60 5.963 -4.517 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 60 7.080 -2.020 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.696 -1.404 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.027 -3.039 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.201 -2.831 -9.145 1.00 0.00 H new ATOM 924 N LEU A 61 5.908 -2.114 -6.719 1.00 0.00 N ATOM 925 CA LEU A 61 5.816 -1.292 -5.481 1.00 0.00 C ATOM 926 C LEU A 61 7.198 -0.718 -5.160 1.00 0.00 C ATOM 927 O LEU A 61 7.337 0.441 -4.827 1.00 0.00 O ATOM 928 CB LEU A 61 5.327 -2.160 -4.312 1.00 0.00 C ATOM 929 CG LEU A 61 5.217 -1.318 -3.030 1.00 0.00 C ATOM 930 CD1 LEU A 61 4.228 -0.155 -3.233 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.727 -2.216 -1.890 1.00 0.00 C ATOM 0 H LEU A 61 5.705 -3.107 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 61 5.107 -0.478 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.357 -2.594 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.017 -2.989 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 61 6.195 -0.902 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.162 0.431 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.577 0.482 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.244 -0.553 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.645 -1.630 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.751 -2.628 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.436 -3.030 -1.737 1.00 0.00 H new ATOM 943 N LEU A 62 8.226 -1.518 -5.264 1.00 0.00 N ATOM 944 CA LEU A 62 9.595 -1.010 -4.969 1.00 0.00 C ATOM 945 C LEU A 62 9.886 0.201 -5.856 1.00 0.00 C ATOM 946 O LEU A 62 10.355 1.221 -5.394 1.00 0.00 O ATOM 947 CB LEU A 62 10.624 -2.108 -5.246 1.00 0.00 C ATOM 948 CG LEU A 62 10.236 -3.387 -4.497 1.00 0.00 C ATOM 949 CD1 LEU A 62 11.226 -4.499 -4.853 1.00 0.00 C ATOM 950 CD2 LEU A 62 10.269 -3.135 -2.981 1.00 0.00 C ATOM 0 H LEU A 62 8.176 -2.499 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 62 9.656 -0.719 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.679 -2.305 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.614 -1.778 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 62 9.228 -3.685 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.954 -5.412 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.197 -4.682 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.232 -4.197 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.992 -4.048 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.274 -2.835 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.564 -2.343 -2.728 1.00 0.00 H new ATOM 962 N LEU A 63 9.605 0.102 -7.129 1.00 0.00 N ATOM 963 CA LEU A 63 9.863 1.260 -8.032 1.00 0.00 C ATOM 964 C LEU A 63 8.925 2.405 -7.641 1.00 0.00 C ATOM 965 O LEU A 63 9.262 3.566 -7.755 1.00 0.00 O ATOM 966 CB LEU A 63 9.597 0.848 -9.487 1.00 0.00 C ATOM 967 CG LEU A 63 10.805 0.090 -10.042 1.00 0.00 C ATOM 968 CD1 LEU A 63 10.983 -1.224 -9.282 1.00 0.00 C ATOM 969 CD2 LEU A 63 10.580 -0.208 -11.526 1.00 0.00 C ATOM 0 H LEU A 63 9.211 -0.724 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 63 10.900 1.581 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.707 0.221 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.400 1.732 -10.094 1.00 0.00 H new ATOM 0 HG LEU A 63 11.700 0.700 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.844 -1.761 -9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.144 -1.014 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.088 -1.836 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.440 -0.748 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.683 -0.817 -11.643 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.456 0.728 -12.070 1.00 0.00 H new ATOM 981 N ARG A 64 7.751 2.077 -7.182 1.00 0.00 N ATOM 982 CA ARG A 64 6.780 3.138 -6.782 1.00 0.00 C ATOM 983 C ARG A 64 7.265 3.825 -5.490 1.00 0.00 C ATOM 984 O ARG A 64 7.097 5.015 -5.313 1.00 0.00 O ATOM 985 CB ARG A 64 5.396 2.487 -6.557 1.00 0.00 C ATOM 986 CG ARG A 64 4.274 3.433 -7.007 1.00 0.00 C ATOM 987 CD ARG A 64 4.352 4.742 -6.218 1.00 0.00 C ATOM 988 NE ARG A 64 3.073 5.489 -6.374 1.00 0.00 N ATOM 989 CZ ARG A 64 2.795 6.480 -5.573 1.00 0.00 C ATOM 990 NH1 ARG A 64 3.637 6.816 -4.633 1.00 0.00 N ATOM 991 NH2 ARG A 64 1.676 7.136 -5.711 1.00 0.00 N ATOM 0 H ARG A 64 7.419 1.120 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 64 6.703 3.890 -7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.334 1.551 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.271 2.241 -5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.363 3.635 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.304 2.961 -6.851 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.539 4.534 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.185 5.347 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 64 2.415 5.226 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.512 6.303 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.419 7.591 -4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.018 6.874 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.459 7.911 -5.085 1.00 0.00 H new ATOM 1005 N GLN A 65 7.863 3.088 -4.588 1.00 0.00 N ATOM 1006 CA GLN A 65 8.351 3.703 -3.323 1.00 0.00 C ATOM 1007 C GLN A 65 9.284 4.875 -3.644 1.00 0.00 C ATOM 1008 O GLN A 65 9.376 5.319 -4.771 1.00 0.00 O ATOM 1009 CB GLN A 65 9.115 2.649 -2.519 1.00 0.00 C ATOM 1010 CG GLN A 65 8.125 1.671 -1.882 1.00 0.00 C ATOM 1011 CD GLN A 65 8.891 0.502 -1.261 1.00 0.00 C ATOM 1012 OE1 GLN A 65 8.587 -0.645 -1.520 1.00 0.00 O ATOM 1013 NE2 GLN A 65 9.881 0.746 -0.446 1.00 0.00 N ATOM 0 H GLN A 65 8.033 2.086 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 65 7.503 4.069 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.805 2.111 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.714 3.130 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.535 2.179 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.426 1.304 -2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.137 1.709 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.399 -0.026 -0.027 1.00 0.00 H new ATOM 1022 N GLY A 66 9.977 5.380 -2.657 1.00 0.00 N ATOM 1023 CA GLY A 66 10.906 6.526 -2.897 1.00 0.00 C ATOM 1024 C GLY A 66 10.157 7.842 -2.683 1.00 0.00 C ATOM 1025 O GLY A 66 10.689 8.913 -2.900 1.00 0.00 O ATOM 0 H GLY A 66 9.940 5.048 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.758 6.466 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.302 6.481 -3.912 1.00 0.00 H new ATOM 1029 N GLU A 67 8.926 7.772 -2.258 1.00 0.00 N ATOM 1030 CA GLU A 67 8.142 9.019 -2.029 1.00 0.00 C ATOM 1031 C GLU A 67 6.969 8.717 -1.095 1.00 0.00 C ATOM 1032 O GLU A 67 5.890 8.366 -1.531 1.00 0.00 O ATOM 1033 CB GLU A 67 7.609 9.539 -3.366 1.00 0.00 C ATOM 1034 CG GLU A 67 6.704 10.747 -3.119 1.00 0.00 C ATOM 1035 CD GLU A 67 6.438 11.466 -4.444 1.00 0.00 C ATOM 1036 OE1 GLU A 67 6.055 10.798 -5.391 1.00 0.00 O ATOM 1037 OE2 GLU A 67 6.621 12.671 -4.488 1.00 0.00 O ATOM 0 H GLU A 67 8.428 6.904 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 67 8.783 9.775 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.438 9.819 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.053 8.754 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.763 10.425 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.175 11.429 -2.411 1.00 0.00 H new ATOM 1044 N ILE A 68 7.171 8.849 0.189 1.00 0.00 N ATOM 1045 CA ILE A 68 6.069 8.569 1.154 1.00 0.00 C ATOM 1046 C ILE A 68 5.204 9.823 1.309 1.00 0.00 C ATOM 1047 O ILE A 68 3.995 9.776 1.187 1.00 0.00 O ATOM 1048 CB ILE A 68 6.669 8.183 2.513 1.00 0.00 C ATOM 1049 CG1 ILE A 68 7.323 6.797 2.410 1.00 0.00 C ATOM 1050 CG2 ILE A 68 5.569 8.140 3.576 1.00 0.00 C ATOM 1051 CD1 ILE A 68 8.478 6.826 1.397 1.00 0.00 C ATOM 0 H ILE A 68 8.053 9.139 0.611 1.00 0.00 H new ATOM 0 HA ILE A 68 5.455 7.748 0.785 1.00 0.00 H new ATOM 0 HB ILE A 68 7.416 8.925 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.695 6.489 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.581 6.059 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.003 7.865 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.102 9.121 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.818 7.402 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.932 5.837 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.096 7.112 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 68 9.227 7.549 1.720 1.00 0.00 H new ATOM 1063 N GLU A 69 5.815 10.942 1.574 1.00 0.00 N ATOM 1064 CA GLU A 69 5.034 12.202 1.737 1.00 0.00 C ATOM 1065 C GLU A 69 3.900 11.975 2.739 1.00 0.00 C ATOM 1066 O GLU A 69 2.735 12.040 2.396 1.00 0.00 O ATOM 1067 CB GLU A 69 4.446 12.617 0.387 1.00 0.00 C ATOM 1068 CG GLU A 69 3.945 14.059 0.472 1.00 0.00 C ATOM 1069 CD GLU A 69 3.171 14.408 -0.801 1.00 0.00 C ATOM 1070 OE1 GLU A 69 3.808 14.744 -1.786 1.00 0.00 O ATOM 1071 OE2 GLU A 69 1.954 14.332 -0.770 1.00 0.00 O ATOM 0 H GLU A 69 6.824 11.041 1.685 1.00 0.00 H new ATOM 0 HA GLU A 69 5.691 12.990 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.202 12.528 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.627 11.951 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.304 14.181 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.786 14.741 0.597 1.00 0.00 H new ATOM 1078 N THR A 70 4.230 11.712 3.974 1.00 0.00 N ATOM 1079 CA THR A 70 3.169 11.483 4.996 1.00 0.00 C ATOM 1080 C THR A 70 3.791 11.538 6.393 1.00 0.00 C ATOM 1081 O THR A 70 3.166 11.958 7.346 1.00 0.00 O ATOM 1082 CB THR A 70 2.531 10.109 4.774 1.00 0.00 C ATOM 1083 OG1 THR A 70 2.124 9.992 3.418 1.00 0.00 O ATOM 1084 CG2 THR A 70 1.316 9.954 5.689 1.00 0.00 C ATOM 0 H THR A 70 5.187 11.646 4.319 1.00 0.00 H new ATOM 0 HA THR A 70 2.404 12.255 4.906 1.00 0.00 H new ATOM 0 HB THR A 70 3.257 9.329 5.005 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.864 10.873 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.863 8.975 5.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.630 10.044 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.588 10.732 5.462 1.00 0.00 H new ATOM 1092 N SER A 71 5.019 11.116 6.520 1.00 0.00 N ATOM 1093 CA SER A 71 5.686 11.142 7.852 1.00 0.00 C ATOM 1094 C SER A 71 7.167 10.794 7.687 1.00 0.00 C ATOM 1095 O SER A 71 7.726 10.037 8.454 1.00 0.00 O ATOM 1096 CB SER A 71 5.022 10.119 8.776 1.00 0.00 C ATOM 1097 OG SER A 71 5.199 8.816 8.235 1.00 0.00 O ATOM 0 H SER A 71 5.590 10.753 5.757 1.00 0.00 H new ATOM 0 HA SER A 71 5.592 12.138 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.459 10.174 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.960 10.341 8.881 1.00 0.00 H new ATOM 0 HG SER A 71 4.777 8.157 8.825 1.00 0.00 H new ATOM 1103 N LEU A 72 7.808 11.343 6.688 1.00 0.00 N ATOM 1104 CA LEU A 72 9.256 11.046 6.467 1.00 0.00 C ATOM 1105 C LEU A 72 10.105 12.039 7.282 1.00 0.00 C ATOM 1106 O LEU A 72 10.220 11.916 8.485 1.00 0.00 O ATOM 1107 CB LEU A 72 9.590 11.136 4.952 1.00 0.00 C ATOM 1108 CG LEU A 72 8.569 12.017 4.211 1.00 0.00 C ATOM 1109 CD1 LEU A 72 8.611 13.455 4.740 1.00 0.00 C ATOM 1110 CD2 LEU A 72 8.911 12.026 2.720 1.00 0.00 C ATOM 0 H LEU A 72 7.391 11.985 6.014 1.00 0.00 H new ATOM 0 HA LEU A 72 9.483 10.034 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.591 11.546 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.595 10.136 4.518 1.00 0.00 H new ATOM 0 HG LEU A 72 7.570 11.611 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.882 14.062 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.373 13.458 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.608 13.869 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.193 12.648 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.914 12.428 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.870 11.009 2.331 1.00 0.00 H new ATOM 1122 N GLY A 73 10.696 13.016 6.649 1.00 0.00 N ATOM 1123 CA GLY A 73 11.527 13.997 7.404 1.00 0.00 C ATOM 1124 C GLY A 73 12.911 13.400 7.667 1.00 0.00 C ATOM 1125 O GLY A 73 13.804 14.067 8.151 1.00 0.00 O ATOM 0 H GLY A 73 10.640 13.177 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.621 14.923 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.043 14.249 8.348 1.00 0.00 H new ATOM 1129 N TYR A 74 13.098 12.146 7.354 1.00 0.00 N ATOM 1130 CA TYR A 74 14.426 11.506 7.585 1.00 0.00 C ATOM 1131 C TYR A 74 15.353 11.826 6.413 1.00 0.00 C ATOM 1132 O TYR A 74 16.491 12.210 6.594 1.00 0.00 O ATOM 1133 CB TYR A 74 14.250 9.991 7.697 1.00 0.00 C ATOM 1134 CG TYR A 74 15.571 9.356 8.061 1.00 0.00 C ATOM 1135 CD1 TYR A 74 16.490 9.015 7.051 1.00 0.00 C ATOM 1136 CD2 TYR A 74 15.883 9.106 9.411 1.00 0.00 C ATOM 1137 CE1 TYR A 74 17.722 8.423 7.390 1.00 0.00 C ATOM 1138 CE2 TYR A 74 17.115 8.515 9.751 1.00 0.00 C ATOM 1139 CZ TYR A 74 18.034 8.173 8.741 1.00 0.00 C ATOM 1140 OH TYR A 74 19.242 7.594 9.074 1.00 0.00 O ATOM 0 H TYR A 74 12.388 11.536 6.948 1.00 0.00 H new ATOM 0 HA TYR A 74 14.860 11.890 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.501 9.756 8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.887 9.585 6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 74 16.250 9.207 6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 74 15.177 9.368 10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.427 8.161 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 74 17.355 8.324 10.787 1.00 0.00 H new ATOM 0 HH TYR A 74 19.299 7.492 10.047 1.00 0.00 H new ATOM 1150 N PHE A 75 14.871 11.673 5.213 1.00 0.00 N ATOM 1151 CA PHE A 75 15.720 11.970 4.025 1.00 0.00 C ATOM 1152 C PHE A 75 15.851 13.485 3.864 1.00 0.00 C ATOM 1153 O PHE A 75 16.789 13.978 3.269 1.00 0.00 O ATOM 1154 CB PHE A 75 15.070 11.377 2.772 1.00 0.00 C ATOM 1155 CG PHE A 75 16.025 11.486 1.609 1.00 0.00 C ATOM 1156 CD1 PHE A 75 16.081 12.673 0.853 1.00 0.00 C ATOM 1157 CD2 PHE A 75 16.858 10.400 1.277 1.00 0.00 C ATOM 1158 CE1 PHE A 75 16.972 12.774 -0.234 1.00 0.00 C ATOM 1159 CE2 PHE A 75 17.749 10.502 0.191 1.00 0.00 C ATOM 1160 CZ PHE A 75 17.805 11.689 -0.565 1.00 0.00 C ATOM 0 H PHE A 75 13.925 11.355 5.002 1.00 0.00 H new ATOM 0 HA PHE A 75 16.708 11.531 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 75 14.808 10.333 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 75 14.143 11.905 2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 75 15.441 13.505 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 75 16.814 9.489 1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 75 17.016 13.684 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 75 18.389 9.670 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 75 18.487 11.767 -1.399 1.00 0.00 H new ATOM 1170 N GLU A 76 14.914 14.228 4.390 1.00 0.00 N ATOM 1171 CA GLU A 76 14.982 15.713 4.269 1.00 0.00 C ATOM 1172 C GLU A 76 15.283 16.098 2.818 1.00 0.00 C ATOM 1173 O GLU A 76 16.424 16.155 2.406 1.00 0.00 O ATOM 1174 CB GLU A 76 16.089 16.249 5.178 1.00 0.00 C ATOM 1175 CG GLU A 76 16.015 17.776 5.228 1.00 0.00 C ATOM 1176 CD GLU A 76 17.046 18.306 6.227 1.00 0.00 C ATOM 1177 OE1 GLU A 76 18.200 17.925 6.116 1.00 0.00 O ATOM 1178 OE2 GLU A 76 16.665 19.084 7.086 1.00 0.00 O ATOM 1179 OXT GLU A 76 14.269 16.362 2.042 1.00 0.00 O ATOM 0 H GLU A 76 14.105 13.871 4.898 1.00 0.00 H new ATOM 0 HA GLU A 76 14.026 16.143 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.982 15.836 6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.064 15.934 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.205 18.192 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.014 18.093 5.520 1.00 0.00 H new TER 1186 GLU A 76