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= -13.8! K(o=-19!,f=-1.4) USER MOD Set 1.2: A 51 ASN : amide:sc= -5.21! C(o=-19!,f=-3.1!) USER MOD Set 2.1: A 33 GLN : amide:sc= -2.37! C(o=-5.2!,f=-6.8!) USER MOD Set 2.2: A 52 SER OG : rot -134:sc= -2.84! USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ -126:sc= 0.957 (180deg=0.0978) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.13 (180deg=-0.948) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -1.11 (180deg=-1.98!) USER MOD Single : A 12 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.041) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.077 (180deg=-0.569) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.386) USER MOD Single : A 30 GLN : amide:sc= -3.95! C(o=-4!,f=-7.1!) USER MOD Single : A 34 ASN : amide:sc= -6.75! C(o=-6.7!,f=-2.1!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= -1.51! (180deg=-2.18!) USER MOD Single : A 48 TYR OH : rot 15:sc= -0.159 USER MOD Single : A 58 LYS NZ :NH3+ -149:sc= -0.884 (180deg=-2.1!) USER MOD Single : A 65 GLN : amide:sc= -0.0867 K(o=-0.087,f=-0.78) USER MOD Single : A 70 THR OG1 : rot 30:sc= 0.826 USER MOD Single : A 71 SER OG : rot 98:sc= 1.37! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.474 -5.299 8.224 1.00 0.00 N ATOM 2 CA MET A 1 9.722 -4.098 8.684 1.00 0.00 C ATOM 3 C MET A 1 8.352 -4.061 8.003 1.00 0.00 C ATOM 4 O MET A 1 8.089 -4.802 7.077 1.00 0.00 O ATOM 5 CB MET A 1 10.507 -2.836 8.320 1.00 0.00 C ATOM 6 CG MET A 1 10.917 -2.897 6.847 1.00 0.00 C ATOM 7 SD MET A 1 11.780 -1.371 6.398 1.00 0.00 S ATOM 8 CE MET A 1 10.320 -0.416 5.920 1.00 0.00 C ATOM 0 H1 MET A 1 11.493 -5.092 8.225 1.00 0.00 H new ATOM 0 H2 MET A 1 10.282 -6.095 8.864 1.00 0.00 H new ATOM 0 H3 MET A 1 10.173 -5.549 7.260 1.00 0.00 H new ATOM 0 HA MET A 1 9.588 -4.145 9.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.898 -1.951 8.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.391 -2.750 8.951 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.563 -3.757 6.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.036 -3.028 6.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.625 0.581 5.601 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.809 -0.919 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.644 -0.334 6.771 1.00 0.00 H new ATOM 20 N GLU A 2 7.476 -3.204 8.456 1.00 0.00 N ATOM 21 CA GLU A 2 6.120 -3.117 7.837 1.00 0.00 C ATOM 22 C GLU A 2 6.153 -2.116 6.679 1.00 0.00 C ATOM 23 O GLU A 2 7.052 -1.306 6.573 1.00 0.00 O ATOM 24 CB GLU A 2 5.111 -2.646 8.887 1.00 0.00 C ATOM 25 CG GLU A 2 5.143 -3.594 10.087 1.00 0.00 C ATOM 26 CD GLU A 2 4.198 -3.075 11.173 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.140 -1.870 11.354 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.548 -3.891 11.804 1.00 0.00 O ATOM 0 H GLU A 2 7.641 -2.559 9.229 1.00 0.00 H new ATOM 0 HA GLU A 2 5.826 -4.098 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.349 -1.631 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.109 -2.619 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.845 -4.597 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.158 -3.668 10.478 1.00 0.00 H new ATOM 35 N LEU A 3 5.181 -2.166 5.810 1.00 0.00 N ATOM 36 CA LEU A 3 5.159 -1.217 4.661 1.00 0.00 C ATOM 37 C LEU A 3 3.740 -1.144 4.090 1.00 0.00 C ATOM 38 O LEU A 3 3.442 -1.730 3.069 1.00 0.00 O ATOM 39 CB LEU A 3 6.130 -1.709 3.581 1.00 0.00 C ATOM 40 CG LEU A 3 6.190 -0.708 2.416 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.794 0.629 2.888 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.060 -1.299 1.300 1.00 0.00 C ATOM 0 H LEU A 3 4.401 -2.823 5.846 1.00 0.00 H new ATOM 0 HA LEU A 3 5.463 -0.225 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.124 -1.838 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.811 -2.685 3.214 1.00 0.00 H new ATOM 0 HG LEU A 3 5.181 -0.523 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.830 1.327 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.177 1.047 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.803 0.460 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.110 -0.597 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.065 -1.483 1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.624 -2.238 0.958 1.00 0.00 H new ATOM 54 N TRP A 4 2.864 -0.430 4.743 1.00 0.00 N ATOM 55 CA TRP A 4 1.466 -0.318 4.238 1.00 0.00 C ATOM 56 C TRP A 4 1.417 0.715 3.113 1.00 0.00 C ATOM 57 O TRP A 4 2.285 1.557 2.997 1.00 0.00 O ATOM 58 CB TRP A 4 0.549 0.104 5.386 1.00 0.00 C ATOM 59 CG TRP A 4 0.633 -0.925 6.464 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.697 -1.107 7.282 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.354 -1.925 6.849 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.428 -2.154 8.145 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.178 -2.692 7.921 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.651 -2.240 6.379 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.550 -3.738 8.506 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.385 -3.291 6.965 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.837 -4.038 8.026 1.00 0.00 C ATOM 0 H TRP A 4 3.056 0.081 5.605 1.00 0.00 H new ATOM 0 HA TRP A 4 1.130 -1.280 3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.848 1.080 5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.478 0.201 5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.608 -0.528 7.263 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.075 -2.487 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.081 -1.672 5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.125 -4.309 9.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.374 -3.525 6.598 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.406 -4.841 8.471 1.00 0.00 H new ATOM 78 N VAL A 5 0.419 0.644 2.267 1.00 0.00 N ATOM 79 CA VAL A 5 0.321 1.609 1.126 1.00 0.00 C ATOM 80 C VAL A 5 -1.128 2.072 0.948 1.00 0.00 C ATOM 81 O VAL A 5 -2.049 1.487 1.483 1.00 0.00 O ATOM 82 CB VAL A 5 0.803 0.907 -0.141 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.622 1.829 -1.348 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.284 0.553 0.021 1.00 0.00 C ATOM 0 H VAL A 5 -0.334 -0.042 2.317 1.00 0.00 H new ATOM 0 HA VAL A 5 0.938 2.485 1.327 1.00 0.00 H new ATOM 0 HB VAL A 5 0.221 -0.001 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.968 1.322 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.432 2.083 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.201 2.740 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.639 0.051 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.861 1.464 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.408 -0.108 0.878 1.00 0.00 H new ATOM 94 N SER A 6 -1.332 3.129 0.196 1.00 0.00 N ATOM 95 CA SER A 6 -2.715 3.659 -0.030 1.00 0.00 C ATOM 96 C SER A 6 -3.185 3.274 -1.451 1.00 0.00 C ATOM 97 O SER A 6 -2.361 3.088 -2.325 1.00 0.00 O ATOM 98 CB SER A 6 -2.671 5.186 0.100 1.00 0.00 C ATOM 99 OG SER A 6 -2.689 5.540 1.476 1.00 0.00 O ATOM 0 H SER A 6 -0.593 3.651 -0.274 1.00 0.00 H new ATOM 0 HA SER A 6 -3.407 3.239 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.772 5.577 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.523 5.631 -0.413 1.00 0.00 H new ATOM 0 HG SER A 6 -2.659 6.516 1.563 1.00 0.00 H new ATOM 105 N PRO A 7 -4.490 3.165 -1.663 1.00 0.00 N ATOM 106 CA PRO A 7 -5.027 2.808 -2.994 1.00 0.00 C ATOM 107 C PRO A 7 -4.547 3.805 -4.063 1.00 0.00 C ATOM 108 O PRO A 7 -4.163 3.421 -5.150 1.00 0.00 O ATOM 109 CB PRO A 7 -6.567 2.862 -2.834 1.00 0.00 C ATOM 110 CG PRO A 7 -6.869 3.307 -1.374 1.00 0.00 C ATOM 111 CD PRO A 7 -5.522 3.377 -0.620 1.00 0.00 C ATOM 0 HA PRO A 7 -4.688 1.825 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.002 3.563 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.008 1.886 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.364 4.278 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.543 2.600 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.394 4.341 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.463 2.613 0.155 1.00 0.00 H new ATOM 119 N LYS A 8 -4.582 5.077 -3.771 1.00 0.00 N ATOM 120 CA LYS A 8 -4.146 6.080 -4.786 1.00 0.00 C ATOM 121 C LYS A 8 -2.708 5.785 -5.223 1.00 0.00 C ATOM 122 O LYS A 8 -2.288 6.165 -6.297 1.00 0.00 O ATOM 123 CB LYS A 8 -4.227 7.489 -4.190 1.00 0.00 C ATOM 124 CG LYS A 8 -3.178 7.651 -3.079 1.00 0.00 C ATOM 125 CD LYS A 8 -3.417 8.968 -2.302 1.00 0.00 C ATOM 126 CE LYS A 8 -4.336 8.730 -1.096 1.00 0.00 C ATOM 127 NZ LYS A 8 -5.704 8.376 -1.565 1.00 0.00 N ATOM 0 H LYS A 8 -4.892 5.464 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.803 6.019 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.061 8.233 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.225 7.666 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.228 6.803 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.178 7.653 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.464 9.374 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.863 9.710 -2.964 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.936 7.928 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.375 9.625 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.383 8.513 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.965 8.986 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.721 7.381 -1.868 1.00 0.00 H new ATOM 141 N GLU A 9 -1.953 5.105 -4.405 1.00 0.00 N ATOM 142 CA GLU A 9 -0.545 4.783 -4.783 1.00 0.00 C ATOM 143 C GLU A 9 -0.531 3.514 -5.639 1.00 0.00 C ATOM 144 O GLU A 9 0.383 3.276 -6.401 1.00 0.00 O ATOM 145 CB GLU A 9 0.282 4.552 -3.518 1.00 0.00 C ATOM 146 CG GLU A 9 0.329 5.841 -2.693 1.00 0.00 C ATOM 147 CD GLU A 9 1.121 6.906 -3.453 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.340 6.846 -3.417 1.00 0.00 O ATOM 149 OE2 GLU A 9 0.498 7.762 -4.056 1.00 0.00 O ATOM 0 H GLU A 9 -2.248 4.758 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.119 5.612 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.155 3.746 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.292 4.241 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.683 6.196 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.793 5.649 -1.726 1.00 0.00 H new ATOM 156 N LEU A 10 -1.545 2.702 -5.519 1.00 0.00 N ATOM 157 CA LEU A 10 -1.603 1.448 -6.325 1.00 0.00 C ATOM 158 C LEU A 10 -2.155 1.772 -7.717 1.00 0.00 C ATOM 159 O LEU A 10 -1.946 1.042 -8.664 1.00 0.00 O ATOM 160 CB LEU A 10 -2.534 0.445 -5.634 1.00 0.00 C ATOM 161 CG LEU A 10 -1.944 0.018 -4.280 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.967 -0.849 -3.538 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.645 -0.786 -4.490 1.00 0.00 C ATOM 0 H LEU A 10 -2.338 2.853 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.604 1.020 -6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.517 0.893 -5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.675 -0.429 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.714 0.908 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.555 -1.155 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.880 -0.276 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.195 -1.733 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.239 -1.081 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.860 -1.677 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.084 -0.169 -5.016 1.00 0.00 H new ATOM 175 N ALA A 11 -2.872 2.858 -7.831 1.00 0.00 N ATOM 176 CA ALA A 11 -3.459 3.256 -9.145 1.00 0.00 C ATOM 177 C ALA A 11 -2.361 3.579 -10.174 1.00 0.00 C ATOM 178 O ALA A 11 -2.544 4.433 -11.018 1.00 0.00 O ATOM 179 CB ALA A 11 -4.339 4.493 -8.948 1.00 0.00 C ATOM 0 H ALA A 11 -3.079 3.494 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.050 2.421 -9.523 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.771 4.789 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.139 4.262 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.735 5.310 -8.555 1.00 0.00 H new ATOM 185 N ASN A 12 -1.224 2.928 -10.121 1.00 0.00 N ATOM 186 CA ASN A 12 -0.143 3.242 -11.112 1.00 0.00 C ATOM 187 C ASN A 12 0.663 1.983 -11.455 1.00 0.00 C ATOM 188 O ASN A 12 1.465 1.991 -12.367 1.00 0.00 O ATOM 189 CB ASN A 12 0.795 4.295 -10.517 1.00 0.00 C ATOM 190 CG ASN A 12 1.650 4.909 -11.630 1.00 0.00 C ATOM 191 OD1 ASN A 12 2.859 4.968 -11.520 1.00 0.00 O ATOM 192 ND2 ASN A 12 1.069 5.372 -12.702 1.00 0.00 N ATOM 0 H ASN A 12 -0.998 2.200 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.604 3.620 -12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.216 5.072 -10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.436 3.841 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.629 5.784 -13.448 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.054 5.322 -12.794 1.00 0.00 H new ATOM 199 N LEU A 13 0.459 0.898 -10.756 1.00 0.00 N ATOM 200 CA LEU A 13 1.224 -0.340 -11.086 1.00 0.00 C ATOM 201 C LEU A 13 0.560 -1.006 -12.308 1.00 0.00 C ATOM 202 O LEU A 13 -0.639 -0.900 -12.460 1.00 0.00 O ATOM 203 CB LEU A 13 1.186 -1.296 -9.888 1.00 0.00 C ATOM 204 CG LEU A 13 1.496 -0.526 -8.598 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.673 -1.512 -7.440 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.787 0.285 -8.774 1.00 0.00 C ATOM 0 H LEU A 13 -0.197 0.815 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 13 2.263 -0.098 -11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.204 -1.764 -9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.912 -2.097 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 13 0.669 0.150 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.893 -0.963 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.756 -2.086 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.496 -2.191 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.002 0.830 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.613 -0.390 -8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.664 0.992 -9.594 1.00 0.00 H new ATOM 218 N PRO A 14 1.328 -1.666 -13.158 1.00 0.00 N ATOM 219 CA PRO A 14 0.751 -2.319 -14.352 1.00 0.00 C ATOM 220 C PRO A 14 -0.294 -3.370 -13.940 1.00 0.00 C ATOM 221 O PRO A 14 -1.454 -3.277 -14.286 1.00 0.00 O ATOM 222 CB PRO A 14 1.956 -2.978 -15.068 1.00 0.00 C ATOM 223 CG PRO A 14 3.203 -2.776 -14.159 1.00 0.00 C ATOM 224 CD PRO A 14 2.794 -1.821 -13.017 1.00 0.00 C ATOM 0 HA PRO A 14 0.233 -1.613 -15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.770 -4.039 -15.235 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.116 -2.525 -16.046 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.544 -3.730 -13.757 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.031 -2.357 -14.731 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.056 -2.235 -12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.303 -0.861 -13.103 1.00 0.00 H new ATOM 232 N GLY A 15 0.121 -4.372 -13.217 1.00 0.00 N ATOM 233 CA GLY A 15 -0.830 -5.441 -12.792 1.00 0.00 C ATOM 234 C GLY A 15 -2.130 -4.823 -12.273 1.00 0.00 C ATOM 235 O GLY A 15 -3.207 -5.330 -12.515 1.00 0.00 O ATOM 0 H GLY A 15 1.082 -4.499 -12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.044 -6.101 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.375 -6.053 -12.013 1.00 0.00 H new ATOM 239 N LEU A 16 -2.041 -3.735 -11.557 1.00 0.00 N ATOM 240 CA LEU A 16 -3.273 -3.085 -11.014 1.00 0.00 C ATOM 241 C LEU A 16 -3.741 -1.989 -11.996 1.00 0.00 C ATOM 242 O LEU A 16 -2.919 -1.397 -12.662 1.00 0.00 O ATOM 243 CB LEU A 16 -2.933 -2.445 -9.661 1.00 0.00 C ATOM 244 CG LEU A 16 -2.101 -3.419 -8.822 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.822 -2.791 -7.456 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.873 -4.728 -8.630 1.00 0.00 C ATOM 0 H LEU A 16 -1.166 -3.265 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.065 -3.823 -10.889 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.380 -1.519 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.849 -2.185 -9.131 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.161 -3.628 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.230 -3.479 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.272 -1.860 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.766 -2.586 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.277 -5.418 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.814 -4.524 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.079 -5.175 -9.603 1.00 0.00 H new ATOM 258 N PRO A 17 -5.036 -1.726 -12.067 1.00 0.00 N ATOM 259 CA PRO A 17 -5.544 -0.680 -12.975 1.00 0.00 C ATOM 260 C PRO A 17 -4.843 0.652 -12.674 1.00 0.00 C ATOM 261 O PRO A 17 -4.031 0.747 -11.774 1.00 0.00 O ATOM 262 CB PRO A 17 -7.064 -0.603 -12.688 1.00 0.00 C ATOM 263 CG PRO A 17 -7.381 -1.644 -11.574 1.00 0.00 C ATOM 264 CD PRO A 17 -6.078 -2.419 -11.278 1.00 0.00 C ATOM 0 HA PRO A 17 -5.354 -0.900 -14.026 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.344 0.400 -12.366 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.636 -0.820 -13.590 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.743 -1.145 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.167 -2.326 -11.899 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.843 -2.405 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.165 -3.465 -11.571 1.00 0.00 H new ATOM 272 N LYS A 18 -5.148 1.679 -13.424 1.00 0.00 N ATOM 273 CA LYS A 18 -4.501 3.007 -13.193 1.00 0.00 C ATOM 274 C LYS A 18 -5.434 3.897 -12.369 1.00 0.00 C ATOM 275 O LYS A 18 -5.190 5.074 -12.197 1.00 0.00 O ATOM 276 CB LYS A 18 -4.225 3.673 -14.544 1.00 0.00 C ATOM 277 CG LYS A 18 -3.655 2.634 -15.513 1.00 0.00 C ATOM 278 CD LYS A 18 -3.031 3.343 -16.716 1.00 0.00 C ATOM 279 CE LYS A 18 -2.471 2.303 -17.689 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.393 1.525 -17.018 1.00 0.00 N ATOM 0 H LYS A 18 -5.821 1.656 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.565 2.868 -12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.144 4.098 -14.948 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.521 4.496 -14.420 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.906 2.024 -15.009 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.444 1.960 -15.845 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.778 3.959 -17.216 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.236 4.012 -16.385 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.265 1.634 -18.019 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.079 2.796 -18.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.793 1.072 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.814 2.164 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.818 0.795 -16.412 1.00 0.00 H new ATOM 294 N THR A 19 -6.502 3.339 -11.859 1.00 0.00 N ATOM 295 CA THR A 19 -7.469 4.141 -11.043 1.00 0.00 C ATOM 296 C THR A 19 -7.834 3.360 -9.778 1.00 0.00 C ATOM 297 O THR A 19 -8.181 2.198 -9.832 1.00 0.00 O ATOM 298 CB THR A 19 -8.734 4.397 -11.864 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.562 3.243 -11.827 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.347 4.704 -13.312 1.00 0.00 C ATOM 0 H THR A 19 -6.749 2.356 -11.972 1.00 0.00 H new ATOM 0 HA THR A 19 -7.014 5.092 -10.767 1.00 0.00 H new ATOM 0 HB THR A 19 -9.276 5.246 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.374 3.406 -12.351 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.247 4.887 -13.898 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.711 5.589 -13.339 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.807 3.856 -13.732 1.00 0.00 H new ATOM 308 N SER A 20 -7.757 3.992 -8.638 1.00 0.00 N ATOM 309 CA SER A 20 -8.098 3.287 -7.371 1.00 0.00 C ATOM 310 C SER A 20 -9.487 2.659 -7.496 1.00 0.00 C ATOM 311 O SER A 20 -9.777 1.646 -6.890 1.00 0.00 O ATOM 312 CB SER A 20 -8.094 4.287 -6.214 1.00 0.00 C ATOM 313 OG SER A 20 -8.861 5.428 -6.577 1.00 0.00 O ATOM 0 H SER A 20 -7.473 4.966 -8.530 1.00 0.00 H new ATOM 0 HA SER A 20 -7.361 2.507 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.509 3.826 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.072 4.582 -5.977 1.00 0.00 H new ATOM 0 HG SER A 20 -8.862 6.070 -5.837 1.00 0.00 H new ATOM 319 N ALA A 21 -10.348 3.249 -8.277 1.00 0.00 N ATOM 320 CA ALA A 21 -11.716 2.683 -8.439 1.00 0.00 C ATOM 321 C ALA A 21 -11.611 1.216 -8.855 1.00 0.00 C ATOM 322 O ALA A 21 -12.365 0.376 -8.404 1.00 0.00 O ATOM 323 CB ALA A 21 -12.470 3.466 -9.515 1.00 0.00 C ATOM 0 H ALA A 21 -10.164 4.099 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.255 2.757 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.471 3.051 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.544 4.512 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.933 3.393 -10.461 1.00 0.00 H new ATOM 329 N GLY A 22 -10.678 0.901 -9.709 1.00 0.00 N ATOM 330 CA GLY A 22 -10.520 -0.512 -10.154 1.00 0.00 C ATOM 331 C GLY A 22 -9.771 -1.302 -9.080 1.00 0.00 C ATOM 332 O GLY A 22 -10.044 -2.462 -8.846 1.00 0.00 O ATOM 0 H GLY A 22 -10.017 1.561 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.497 -0.959 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.973 -0.549 -11.096 1.00 0.00 H new ATOM 336 N VAL A 23 -8.830 -0.681 -8.421 1.00 0.00 N ATOM 337 CA VAL A 23 -8.068 -1.399 -7.362 1.00 0.00 C ATOM 338 C VAL A 23 -9.012 -1.751 -6.212 1.00 0.00 C ATOM 339 O VAL A 23 -9.193 -2.903 -5.878 1.00 0.00 O ATOM 340 CB VAL A 23 -6.944 -0.501 -6.839 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.046 -1.305 -5.898 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.113 0.018 -8.015 1.00 0.00 C ATOM 0 H VAL A 23 -8.557 0.290 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.639 -2.310 -7.778 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.376 0.342 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.245 -0.666 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.636 -1.674 -5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.616 -2.148 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.313 0.657 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.682 -0.825 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.752 0.591 -8.687 1.00 0.00 H new ATOM 352 N ILE A 24 -9.618 -0.766 -5.605 1.00 0.00 N ATOM 353 CA ILE A 24 -10.551 -1.050 -4.481 1.00 0.00 C ATOM 354 C ILE A 24 -11.576 -2.093 -4.933 1.00 0.00 C ATOM 355 O ILE A 24 -11.891 -3.020 -4.214 1.00 0.00 O ATOM 356 CB ILE A 24 -11.262 0.245 -4.069 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.231 1.189 -3.426 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.374 -0.075 -3.062 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.830 2.592 -3.211 1.00 0.00 C ATOM 0 H ILE A 24 -9.507 0.220 -5.840 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.997 -1.437 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.705 0.722 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.903 0.779 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.349 1.259 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.878 0.847 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.095 -0.753 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.941 -0.546 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.082 3.241 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.135 3.008 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.697 2.521 -2.554 1.00 0.00 H new ATOM 371 N TYR A 25 -12.093 -1.956 -6.125 1.00 0.00 N ATOM 372 CA TYR A 25 -13.087 -2.948 -6.619 1.00 0.00 C ATOM 373 C TYR A 25 -12.438 -4.332 -6.642 1.00 0.00 C ATOM 374 O TYR A 25 -13.047 -5.324 -6.294 1.00 0.00 O ATOM 375 CB TYR A 25 -13.534 -2.568 -8.032 1.00 0.00 C ATOM 376 CG TYR A 25 -14.565 -3.558 -8.518 1.00 0.00 C ATOM 377 CD1 TYR A 25 -15.899 -3.458 -8.077 1.00 0.00 C ATOM 378 CD2 TYR A 25 -14.195 -4.582 -9.412 1.00 0.00 C ATOM 379 CE1 TYR A 25 -16.861 -4.380 -8.529 1.00 0.00 C ATOM 380 CE2 TYR A 25 -15.158 -5.504 -9.864 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.491 -5.404 -9.422 1.00 0.00 C ATOM 382 OH TYR A 25 -17.436 -6.307 -9.865 1.00 0.00 O ATOM 0 H TYR A 25 -11.870 -1.202 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.955 -2.958 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.952 -1.561 -8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.677 -2.559 -8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -16.184 -2.673 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.172 -4.660 -9.751 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.884 -4.302 -8.191 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.874 -6.288 -10.550 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.015 -6.947 -10.476 1.00 0.00 H new ATOM 392 N VAL A 26 -11.198 -4.400 -7.042 1.00 0.00 N ATOM 393 CA VAL A 26 -10.495 -5.713 -7.082 1.00 0.00 C ATOM 394 C VAL A 26 -10.135 -6.128 -5.653 1.00 0.00 C ATOM 395 O VAL A 26 -10.022 -7.298 -5.346 1.00 0.00 O ATOM 396 CB VAL A 26 -9.220 -5.578 -7.924 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.349 -6.826 -7.761 1.00 0.00 C ATOM 398 CG2 VAL A 26 -9.602 -5.418 -9.398 1.00 0.00 C ATOM 0 H VAL A 26 -10.640 -3.601 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.140 -6.470 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.661 -4.705 -7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.446 -6.721 -8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.075 -6.944 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.905 -7.703 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.698 -5.322 -10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.164 -6.293 -9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.216 -4.526 -9.520 1.00 0.00 H new ATOM 408 N ALA A 27 -9.962 -5.177 -4.776 1.00 0.00 N ATOM 409 CA ALA A 27 -9.617 -5.520 -3.368 1.00 0.00 C ATOM 410 C ALA A 27 -10.644 -6.519 -2.839 1.00 0.00 C ATOM 411 O ALA A 27 -10.337 -7.377 -2.038 1.00 0.00 O ATOM 412 CB ALA A 27 -9.643 -4.253 -2.510 1.00 0.00 C ATOM 0 H ALA A 27 -10.044 -4.180 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.620 -5.958 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.390 -4.506 -1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.918 -3.537 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.640 -3.813 -2.542 1.00 0.00 H new ATOM 418 N LYS A 28 -11.863 -6.415 -3.288 1.00 0.00 N ATOM 419 CA LYS A 28 -12.913 -7.360 -2.820 1.00 0.00 C ATOM 420 C LYS A 28 -12.656 -8.738 -3.432 1.00 0.00 C ATOM 421 O LYS A 28 -12.918 -9.758 -2.826 1.00 0.00 O ATOM 422 CB LYS A 28 -14.288 -6.846 -3.259 1.00 0.00 C ATOM 423 CG LYS A 28 -14.592 -5.521 -2.547 1.00 0.00 C ATOM 424 CD LYS A 28 -15.693 -4.769 -3.301 1.00 0.00 C ATOM 425 CE LYS A 28 -16.273 -3.672 -2.405 1.00 0.00 C ATOM 426 NZ LYS A 28 -15.165 -2.833 -1.867 1.00 0.00 N ATOM 0 H LYS A 28 -12.178 -5.715 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.887 -7.436 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.306 -6.703 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.056 -7.583 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.906 -5.712 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.691 -4.910 -2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.289 -4.331 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.480 -5.461 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.969 -3.054 -2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.837 -4.117 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.547 -1.924 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.710 -3.326 -1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.464 -2.663 -2.616 1.00 0.00 H new ATOM 440 N LYS A 29 -12.139 -8.775 -4.630 1.00 0.00 N ATOM 441 CA LYS A 29 -11.857 -10.084 -5.286 1.00 0.00 C ATOM 442 C LYS A 29 -10.769 -10.823 -4.502 1.00 0.00 C ATOM 443 O LYS A 29 -10.413 -11.939 -4.819 1.00 0.00 O ATOM 444 CB LYS A 29 -11.377 -9.848 -6.723 1.00 0.00 C ATOM 445 CG LYS A 29 -12.427 -9.045 -7.509 1.00 0.00 C ATOM 446 CD LYS A 29 -13.538 -9.975 -8.011 1.00 0.00 C ATOM 447 CE LYS A 29 -14.488 -9.188 -8.918 1.00 0.00 C ATOM 448 NZ LYS A 29 -15.081 -8.057 -8.152 1.00 0.00 N ATOM 0 H LYS A 29 -11.899 -7.953 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.767 -10.683 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.429 -9.310 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.196 -10.804 -7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.852 -8.268 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.954 -8.543 -8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.106 -10.813 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.086 -10.393 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.949 -8.810 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.276 -9.841 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.118 -8.101 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.792 -8.124 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.747 -7.156 -8.549 1.00 0.00 H new ATOM 462 N GLN A 30 -10.237 -10.202 -3.481 1.00 0.00 N ATOM 463 CA GLN A 30 -9.164 -10.852 -2.669 1.00 0.00 C ATOM 464 C GLN A 30 -9.325 -10.432 -1.206 1.00 0.00 C ATOM 465 O GLN A 30 -9.593 -11.244 -0.343 1.00 0.00 O ATOM 466 CB GLN A 30 -7.796 -10.401 -3.196 1.00 0.00 C ATOM 467 CG GLN A 30 -7.840 -10.343 -4.724 1.00 0.00 C ATOM 468 CD GLN A 30 -6.444 -10.049 -5.267 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.765 -9.167 -4.786 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.986 -10.758 -6.258 1.00 0.00 N ATOM 0 H GLN A 30 -10.501 -9.266 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.238 -11.937 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.541 -9.422 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.020 -11.093 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.204 -11.290 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.537 -9.571 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.558 -11.500 -6.662 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.055 -10.572 -6.631 1.00 0.00 H new ATOM 479 N GLY A 31 -9.182 -9.164 -0.922 1.00 0.00 N ATOM 480 CA GLY A 31 -9.347 -8.680 0.483 1.00 0.00 C ATOM 481 C GLY A 31 -7.987 -8.591 1.180 1.00 0.00 C ATOM 482 O GLY A 31 -7.805 -9.110 2.262 1.00 0.00 O ATOM 0 H GLY A 31 -8.957 -8.440 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.828 -7.702 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.001 -9.357 1.033 1.00 0.00 H new ATOM 486 N TRP A 32 -7.034 -7.930 0.581 1.00 0.00 N ATOM 487 CA TRP A 32 -5.702 -7.810 1.236 1.00 0.00 C ATOM 488 C TRP A 32 -5.892 -7.298 2.666 1.00 0.00 C ATOM 489 O TRP A 32 -6.782 -6.516 2.936 1.00 0.00 O ATOM 490 CB TRP A 32 -4.829 -6.816 0.467 1.00 0.00 C ATOM 491 CG TRP A 32 -4.833 -7.141 -0.992 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.462 -8.328 -1.525 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.168 -6.274 -2.113 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.573 -8.255 -2.902 1.00 0.00 N ATOM 495 CE2 TRP A 32 -4.999 -7.010 -3.317 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.608 -4.932 -2.205 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.255 -6.434 -4.570 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.865 -4.348 -3.464 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.688 -5.099 -4.644 1.00 0.00 C ATOM 0 H TRP A 32 -7.119 -7.472 -0.326 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.218 -8.786 1.245 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.198 -5.802 0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.809 -6.845 0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.133 -9.192 -0.966 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.365 -9.028 -3.534 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.748 -4.351 -1.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.120 -7.013 -5.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.198 -3.322 -3.524 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.885 -4.648 -5.605 1.00 0.00 H new ATOM 510 N GLN A 33 -5.067 -7.721 3.585 1.00 0.00 N ATOM 511 CA GLN A 33 -5.218 -7.236 4.988 1.00 0.00 C ATOM 512 C GLN A 33 -5.081 -5.714 5.014 1.00 0.00 C ATOM 513 O GLN A 33 -3.992 -5.174 5.044 1.00 0.00 O ATOM 514 CB GLN A 33 -4.158 -7.879 5.908 1.00 0.00 C ATOM 515 CG GLN A 33 -2.758 -7.924 5.239 1.00 0.00 C ATOM 516 CD GLN A 33 -2.160 -9.336 5.340 1.00 0.00 C ATOM 517 OE1 GLN A 33 -2.772 -10.298 4.920 1.00 0.00 O ATOM 518 NE2 GLN A 33 -0.985 -9.497 5.883 1.00 0.00 N ATOM 0 H GLN A 33 -4.301 -8.376 3.428 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.204 -7.522 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.097 -7.316 6.839 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.469 -8.891 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.839 -7.631 4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.095 -7.206 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.471 -8.690 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.580 -10.430 5.955 1.00 0.00 H new ATOM 527 N ASN A 34 -6.189 -5.018 4.995 1.00 0.00 N ATOM 528 CA ASN A 34 -6.158 -3.525 5.012 1.00 0.00 C ATOM 529 C ASN A 34 -6.402 -3.018 6.438 1.00 0.00 C ATOM 530 O ASN A 34 -7.455 -3.224 7.007 1.00 0.00 O ATOM 531 CB ASN A 34 -7.262 -2.993 4.097 1.00 0.00 C ATOM 532 CG ASN A 34 -8.557 -3.768 4.350 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.509 -3.642 3.605 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.634 -4.570 5.376 1.00 0.00 N ATOM 0 H ASN A 34 -7.124 -5.425 4.968 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.184 -3.178 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.420 -1.930 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.964 -3.094 3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.493 -5.091 5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.835 -4.676 6.001 1.00 0.00 H new ATOM 541 N ARG A 35 -5.444 -2.343 7.012 1.00 0.00 N ATOM 542 CA ARG A 35 -5.627 -1.806 8.394 1.00 0.00 C ATOM 543 C ARG A 35 -6.233 -0.407 8.297 1.00 0.00 C ATOM 544 O ARG A 35 -5.670 0.475 7.687 1.00 0.00 O ATOM 545 CB ARG A 35 -4.269 -1.729 9.098 1.00 0.00 C ATOM 546 CG ARG A 35 -4.461 -1.284 10.550 1.00 0.00 C ATOM 547 CD ARG A 35 -3.095 -1.126 11.219 1.00 0.00 C ATOM 548 NE ARG A 35 -2.501 -2.472 11.462 1.00 0.00 N ATOM 549 CZ ARG A 35 -1.232 -2.584 11.742 1.00 0.00 C ATOM 550 NH1 ARG A 35 -0.482 -1.519 11.807 1.00 0.00 N ATOM 551 NH2 ARG A 35 -0.712 -3.762 11.955 1.00 0.00 N ATOM 0 H ARG A 35 -4.541 -2.139 6.585 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.287 -2.460 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.778 -2.702 9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.618 -1.027 8.576 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.006 -0.340 10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.060 -2.017 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.434 -0.534 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.200 -0.588 12.161 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.087 -3.305 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.888 -0.598 11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.510 -1.607 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.298 -4.595 11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.280 -3.849 12.174 1.00 0.00 H new ATOM 565 N THR A 36 -7.379 -0.187 8.884 1.00 0.00 N ATOM 566 CA THR A 36 -8.004 1.166 8.798 1.00 0.00 C ATOM 567 C THR A 36 -7.532 2.028 9.972 1.00 0.00 C ATOM 568 O THR A 36 -8.266 2.279 10.908 1.00 0.00 O ATOM 569 CB THR A 36 -9.531 1.032 8.839 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.927 -0.071 8.034 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.175 2.314 8.303 1.00 0.00 C ATOM 0 H THR A 36 -7.907 -0.879 9.416 1.00 0.00 H new ATOM 0 HA THR A 36 -7.708 1.640 7.862 1.00 0.00 H new ATOM 0 HB THR A 36 -9.855 0.870 9.867 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.903 -0.161 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.260 2.216 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.870 3.160 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.854 2.480 7.275 1.00 0.00 H new ATOM 579 N ARG A 37 -6.309 2.487 9.925 1.00 0.00 N ATOM 580 CA ARG A 37 -5.777 3.341 11.029 1.00 0.00 C ATOM 581 C ARG A 37 -6.046 4.812 10.700 1.00 0.00 C ATOM 582 O ARG A 37 -5.505 5.354 9.757 1.00 0.00 O ATOM 583 CB ARG A 37 -4.265 3.104 11.165 1.00 0.00 C ATOM 584 CG ARG A 37 -3.636 4.153 12.094 1.00 0.00 C ATOM 585 CD ARG A 37 -4.440 4.256 13.393 1.00 0.00 C ATOM 586 NE ARG A 37 -4.805 2.892 13.867 1.00 0.00 N ATOM 587 CZ ARG A 37 -5.221 2.717 15.090 1.00 0.00 C ATOM 588 NH1 ARG A 37 -5.320 3.738 15.898 1.00 0.00 N ATOM 589 NH2 ARG A 37 -5.540 1.522 15.508 1.00 0.00 N ATOM 0 H ARG A 37 -5.652 2.306 9.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.268 3.086 11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.082 2.104 11.559 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.794 3.151 10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.604 3.881 12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.610 5.122 11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.855 4.772 14.154 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.341 4.847 13.229 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.729 2.095 13.235 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.072 4.672 15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.645 3.601 16.855 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.464 0.724 14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.865 1.386 16.465 1.00 0.00 H new ATOM 603 N ALA A 38 -6.880 5.459 11.468 1.00 0.00 N ATOM 604 CA ALA A 38 -7.186 6.894 11.203 1.00 0.00 C ATOM 605 C ALA A 38 -6.011 7.765 11.659 1.00 0.00 C ATOM 606 O ALA A 38 -6.176 8.673 12.449 1.00 0.00 O ATOM 607 CB ALA A 38 -8.445 7.297 11.973 1.00 0.00 C ATOM 0 H ALA A 38 -7.364 5.055 12.270 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.349 7.036 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.669 8.346 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.283 6.681 11.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.281 7.152 13.041 1.00 0.00 H new ATOM 613 N GLY A 39 -4.826 7.491 11.170 1.00 0.00 N ATOM 614 CA GLY A 39 -3.623 8.294 11.568 1.00 0.00 C ATOM 615 C GLY A 39 -2.919 8.819 10.314 1.00 0.00 C ATOM 616 O GLY A 39 -1.941 9.536 10.395 1.00 0.00 O ATOM 0 H GLY A 39 -4.637 6.740 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.923 9.126 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.938 7.678 12.151 1.00 0.00 H new ATOM 620 N VAL A 40 -3.407 8.470 9.155 1.00 0.00 N ATOM 621 CA VAL A 40 -2.760 8.953 7.903 1.00 0.00 C ATOM 622 C VAL A 40 -2.882 10.475 7.823 1.00 0.00 C ATOM 623 O VAL A 40 -1.929 11.171 7.535 1.00 0.00 O ATOM 624 CB VAL A 40 -3.452 8.319 6.693 1.00 0.00 C ATOM 625 CG1 VAL A 40 -2.816 8.846 5.405 1.00 0.00 C ATOM 626 CG2 VAL A 40 -3.288 6.798 6.757 1.00 0.00 C ATOM 0 H VAL A 40 -4.223 7.873 9.021 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.707 8.673 7.905 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.512 8.574 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.309 8.394 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.929 9.929 5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.756 8.591 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.779 6.343 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.228 6.546 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.740 6.422 7.675 1.00 0.00 H new ATOM 636 N LYS A 41 -4.049 10.997 8.078 1.00 0.00 N ATOM 637 CA LYS A 41 -4.237 12.472 8.019 1.00 0.00 C ATOM 638 C LYS A 41 -5.596 12.836 8.620 1.00 0.00 C ATOM 639 O LYS A 41 -5.682 13.519 9.620 1.00 0.00 O ATOM 640 CB LYS A 41 -4.179 12.935 6.561 1.00 0.00 C ATOM 641 CG LYS A 41 -4.516 14.425 6.485 1.00 0.00 C ATOM 642 CD LYS A 41 -4.112 14.974 5.115 1.00 0.00 C ATOM 643 CE LYS A 41 -4.367 16.481 5.071 1.00 0.00 C ATOM 644 NZ LYS A 41 -4.143 16.984 3.686 1.00 0.00 N ATOM 0 H LYS A 41 -4.883 10.464 8.325 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.447 12.964 8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.186 12.755 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.882 12.361 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.583 14.575 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.994 14.967 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.059 14.767 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.681 14.476 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.388 16.697 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.703 16.993 5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.317 18.009 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.162 16.791 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.794 16.504 3.033 1.00 0.00 H new ATOM 658 N GLY A 42 -6.658 12.383 8.015 1.00 0.00 N ATOM 659 CA GLY A 42 -8.013 12.699 8.548 1.00 0.00 C ATOM 660 C GLY A 42 -9.079 12.183 7.580 1.00 0.00 C ATOM 661 O GLY A 42 -9.194 12.651 6.464 1.00 0.00 O ATOM 0 H GLY A 42 -6.647 11.807 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.145 12.241 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.120 13.775 8.682 1.00 0.00 H new ATOM 665 N GLY A 43 -9.861 11.220 8.002 1.00 0.00 N ATOM 666 CA GLY A 43 -10.933 10.659 7.118 1.00 0.00 C ATOM 667 C GLY A 43 -10.890 9.129 7.165 1.00 0.00 C ATOM 668 O GLY A 43 -11.436 8.459 6.310 1.00 0.00 O ATOM 0 H GLY A 43 -9.803 10.795 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.910 11.015 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.792 11.005 6.094 1.00 0.00 H new ATOM 672 N LYS A 44 -10.242 8.568 8.151 1.00 0.00 N ATOM 673 CA LYS A 44 -10.163 7.085 8.247 1.00 0.00 C ATOM 674 C LYS A 44 -9.653 6.516 6.922 1.00 0.00 C ATOM 675 O LYS A 44 -10.406 6.301 5.994 1.00 0.00 O ATOM 676 CB LYS A 44 -11.552 6.508 8.554 1.00 0.00 C ATOM 677 CG LYS A 44 -11.871 6.697 10.039 1.00 0.00 C ATOM 678 CD LYS A 44 -13.329 6.309 10.308 1.00 0.00 C ATOM 679 CE LYS A 44 -13.578 4.862 9.869 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.389 4.025 10.195 1.00 0.00 N ATOM 0 H LYS A 44 -9.763 9.076 8.895 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.477 6.812 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.306 7.005 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.582 5.449 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.204 6.084 10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.701 7.734 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.553 6.419 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.998 6.981 9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.461 4.467 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.777 4.826 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.666 3.023 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.657 4.165 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.013 4.303 11.124 1.00 0.00 H new ATOM 694 N ALA A 45 -8.376 6.265 6.833 1.00 0.00 N ATOM 695 CA ALA A 45 -7.809 5.701 5.574 1.00 0.00 C ATOM 696 C ALA A 45 -7.942 4.178 5.613 1.00 0.00 C ATOM 697 O ALA A 45 -8.053 3.589 6.666 1.00 0.00 O ATOM 698 CB ALA A 45 -6.331 6.084 5.467 1.00 0.00 C ATOM 0 H ALA A 45 -7.699 6.426 7.579 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.346 6.097 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.914 5.673 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.236 7.170 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.788 5.682 6.323 1.00 0.00 H new ATOM 704 N ILE A 46 -7.942 3.537 4.474 1.00 0.00 N ATOM 705 CA ILE A 46 -8.078 2.047 4.450 1.00 0.00 C ATOM 706 C ILE A 46 -6.689 1.398 4.486 1.00 0.00 C ATOM 707 O ILE A 46 -6.479 0.402 5.150 1.00 0.00 O ATOM 708 CB ILE A 46 -8.816 1.625 3.171 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.892 0.089 3.102 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.076 2.169 1.942 1.00 0.00 C ATOM 711 CD1 ILE A 46 -10.021 -0.340 2.157 1.00 0.00 C ATOM 0 H ILE A 46 -7.854 3.979 3.559 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.645 1.720 5.322 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.827 2.033 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.942 -0.315 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.065 -0.320 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.603 1.867 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.036 3.257 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.062 1.770 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.067 -1.428 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.971 0.049 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.829 0.054 1.159 1.00 0.00 H new ATOM 723 N GLU A 47 -5.750 1.968 3.784 1.00 0.00 N ATOM 724 CA GLU A 47 -4.357 1.417 3.756 1.00 0.00 C ATOM 725 C GLU A 47 -4.365 -0.052 3.315 1.00 0.00 C ATOM 726 O GLU A 47 -5.318 -0.776 3.521 1.00 0.00 O ATOM 727 CB GLU A 47 -3.722 1.530 5.152 1.00 0.00 C ATOM 728 CG GLU A 47 -3.211 2.954 5.378 1.00 0.00 C ATOM 729 CD GLU A 47 -2.875 3.148 6.858 1.00 0.00 C ATOM 730 OE1 GLU A 47 -3.206 2.273 7.640 1.00 0.00 O ATOM 731 OE2 GLU A 47 -2.292 4.171 7.183 1.00 0.00 O ATOM 0 H GLU A 47 -5.887 2.806 3.218 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.772 1.995 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.455 1.272 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.900 0.820 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.327 3.136 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.966 3.676 5.068 1.00 0.00 H new ATOM 738 N TYR A 48 -3.290 -0.493 2.714 1.00 0.00 N ATOM 739 CA TYR A 48 -3.190 -1.914 2.256 1.00 0.00 C ATOM 740 C TYR A 48 -1.809 -2.455 2.634 1.00 0.00 C ATOM 741 O TYR A 48 -0.806 -1.788 2.470 1.00 0.00 O ATOM 742 CB TYR A 48 -3.363 -1.977 0.736 1.00 0.00 C ATOM 743 CG TYR A 48 -4.823 -1.800 0.381 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.767 -2.766 0.781 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.242 -0.672 -0.353 1.00 0.00 C ATOM 746 CE1 TYR A 48 -7.125 -2.606 0.448 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.601 -0.513 -0.686 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.542 -1.479 -0.285 1.00 0.00 C ATOM 749 OH TYR A 48 -8.874 -1.324 -0.612 1.00 0.00 O ATOM 0 H TYR A 48 -2.467 0.077 2.518 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.968 -2.512 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.766 -1.199 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.000 -2.933 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.448 -3.631 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.521 0.071 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.847 -3.348 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.921 0.351 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.417 -1.935 -0.072 1.00 0.00 H new ATOM 759 N ASN A 49 -1.744 -3.655 3.138 1.00 0.00 N ATOM 760 CA ASN A 49 -0.423 -4.227 3.523 1.00 0.00 C ATOM 761 C ASN A 49 0.314 -4.697 2.262 1.00 0.00 C ATOM 762 O ASN A 49 -0.119 -5.598 1.572 1.00 0.00 O ATOM 763 CB ASN A 49 -0.644 -5.399 4.482 1.00 0.00 C ATOM 764 CG ASN A 49 0.680 -5.772 5.148 1.00 0.00 C ATOM 765 OD1 ASN A 49 0.836 -5.623 6.344 1.00 0.00 O ATOM 766 ND2 ASN A 49 1.648 -6.255 4.420 1.00 0.00 N ATOM 0 H ASN A 49 -2.546 -4.264 3.300 1.00 0.00 H new ATOM 0 HA ASN A 49 0.182 -3.470 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.380 -5.129 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.044 -6.256 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.536 -6.508 4.854 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.518 -6.380 3.416 1.00 0.00 H new ATOM 773 N ALA A 50 1.418 -4.069 1.951 1.00 0.00 N ATOM 774 CA ALA A 50 2.192 -4.440 0.728 1.00 0.00 C ATOM 775 C ALA A 50 2.545 -5.931 0.727 1.00 0.00 C ATOM 776 O ALA A 50 2.750 -6.522 -0.314 1.00 0.00 O ATOM 777 CB ALA A 50 3.483 -3.620 0.683 1.00 0.00 C ATOM 0 H ALA A 50 1.821 -3.307 2.497 1.00 0.00 H new ATOM 0 HA ALA A 50 1.575 -4.231 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.052 -3.886 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.239 -2.558 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.079 -3.831 1.571 1.00 0.00 H new ATOM 783 N ASN A 51 2.638 -6.543 1.873 1.00 0.00 N ATOM 784 CA ASN A 51 2.998 -7.991 1.907 1.00 0.00 C ATOM 785 C ASN A 51 1.845 -8.833 1.352 1.00 0.00 C ATOM 786 O ASN A 51 2.023 -9.980 0.991 1.00 0.00 O ATOM 787 CB ASN A 51 3.288 -8.414 3.348 1.00 0.00 C ATOM 788 CG ASN A 51 4.187 -7.372 4.017 1.00 0.00 C ATOM 789 OD1 ASN A 51 4.818 -6.578 3.346 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.272 -7.340 5.318 1.00 0.00 N ATOM 0 H ASN A 51 2.482 -6.109 2.783 1.00 0.00 H new ATOM 0 HA ASN A 51 3.885 -8.150 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.355 -8.515 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.773 -9.390 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.868 -6.649 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.742 -8.006 5.880 1.00 0.00 H new ATOM 797 N SER A 52 0.664 -8.280 1.286 1.00 0.00 N ATOM 798 CA SER A 52 -0.502 -9.055 0.760 1.00 0.00 C ATOM 799 C SER A 52 -0.651 -8.829 -0.751 1.00 0.00 C ATOM 800 O SER A 52 -1.357 -9.553 -1.424 1.00 0.00 O ATOM 801 CB SER A 52 -1.769 -8.594 1.479 1.00 0.00 C ATOM 802 OG SER A 52 -1.835 -9.219 2.752 1.00 0.00 O ATOM 0 H SER A 52 0.454 -7.324 1.573 1.00 0.00 H new ATOM 0 HA SER A 52 -0.341 -10.118 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.764 -7.510 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.650 -8.848 0.889 1.00 0.00 H new ATOM 0 HG SER A 52 -2.738 -9.571 2.897 1.00 0.00 H new ATOM 808 N LEU A 53 0.000 -7.835 -1.290 1.00 0.00 N ATOM 809 CA LEU A 53 -0.123 -7.581 -2.756 1.00 0.00 C ATOM 810 C LEU A 53 0.526 -8.750 -3.524 1.00 0.00 C ATOM 811 O LEU A 53 1.480 -9.326 -3.040 1.00 0.00 O ATOM 812 CB LEU A 53 0.604 -6.276 -3.107 1.00 0.00 C ATOM 813 CG LEU A 53 -0.067 -5.090 -2.400 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.759 -3.824 -2.655 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.500 -4.888 -2.937 1.00 0.00 C ATOM 0 H LEU A 53 0.608 -7.191 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.175 -7.497 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.650 -6.342 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.589 -6.122 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.119 -5.292 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.289 -2.976 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.767 -3.962 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.809 -3.632 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.964 -4.044 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.463 -4.689 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.087 -5.789 -2.756 1.00 0.00 H new ATOM 827 N PRO A 54 0.016 -9.080 -4.702 1.00 0.00 N ATOM 828 CA PRO A 54 0.590 -10.183 -5.497 1.00 0.00 C ATOM 829 C PRO A 54 2.080 -9.913 -5.753 1.00 0.00 C ATOM 830 O PRO A 54 2.701 -9.115 -5.083 1.00 0.00 O ATOM 831 CB PRO A 54 -0.220 -10.193 -6.817 1.00 0.00 C ATOM 832 CG PRO A 54 -1.243 -9.021 -6.745 1.00 0.00 C ATOM 833 CD PRO A 54 -1.144 -8.406 -5.331 1.00 0.00 C ATOM 0 HA PRO A 54 0.529 -11.147 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.442 -10.072 -7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.735 -11.145 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.022 -8.272 -7.505 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.254 -9.382 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.996 -7.327 -5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.057 -8.577 -4.761 1.00 0.00 H new ATOM 841 N VAL A 55 2.654 -10.575 -6.722 1.00 0.00 N ATOM 842 CA VAL A 55 4.100 -10.363 -7.028 1.00 0.00 C ATOM 843 C VAL A 55 4.243 -9.264 -8.083 1.00 0.00 C ATOM 844 O VAL A 55 5.145 -8.451 -8.028 1.00 0.00 O ATOM 845 CB VAL A 55 4.694 -11.661 -7.573 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.209 -11.507 -7.721 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.390 -12.807 -6.607 1.00 0.00 C ATOM 0 H VAL A 55 2.182 -11.256 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 55 4.625 -10.068 -6.120 1.00 0.00 H new ATOM 0 HB VAL A 55 4.255 -11.880 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.633 -12.433 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.426 -10.691 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.649 -11.287 -6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.814 -13.733 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.828 -12.588 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.311 -12.918 -6.502 1.00 0.00 H new ATOM 857 N GLU A 56 3.364 -9.239 -9.046 1.00 0.00 N ATOM 858 CA GLU A 56 3.452 -8.200 -10.109 1.00 0.00 C ATOM 859 C GLU A 56 3.361 -6.808 -9.480 1.00 0.00 C ATOM 860 O GLU A 56 4.057 -5.894 -9.875 1.00 0.00 O ATOM 861 CB GLU A 56 2.300 -8.387 -11.099 1.00 0.00 C ATOM 862 CG GLU A 56 2.393 -9.775 -11.736 1.00 0.00 C ATOM 863 CD GLU A 56 3.583 -9.818 -12.697 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.986 -8.762 -13.157 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.072 -10.906 -12.954 1.00 0.00 O ATOM 0 H GLU A 56 2.588 -9.894 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 56 4.404 -8.298 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.345 -8.274 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.341 -7.618 -11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.509 -10.534 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.471 -10.003 -12.271 1.00 0.00 H new ATOM 872 N ALA A 57 2.508 -6.636 -8.506 1.00 0.00 N ATOM 873 CA ALA A 57 2.379 -5.298 -7.864 1.00 0.00 C ATOM 874 C ALA A 57 3.503 -5.107 -6.844 1.00 0.00 C ATOM 875 O ALA A 57 4.171 -4.095 -6.834 1.00 0.00 O ATOM 876 CB ALA A 57 1.024 -5.194 -7.161 1.00 0.00 C ATOM 0 H ALA A 57 1.898 -7.361 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 57 2.450 -4.523 -8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.932 -4.214 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.225 -5.324 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.949 -5.970 -6.399 1.00 0.00 H new ATOM 882 N LYS A 58 3.713 -6.065 -5.983 1.00 0.00 N ATOM 883 CA LYS A 58 4.793 -5.927 -4.964 1.00 0.00 C ATOM 884 C LYS A 58 6.089 -5.471 -5.641 1.00 0.00 C ATOM 885 O LYS A 58 6.717 -4.521 -5.220 1.00 0.00 O ATOM 886 CB LYS A 58 5.023 -7.272 -4.273 1.00 0.00 C ATOM 887 CG LYS A 58 6.013 -7.087 -3.118 1.00 0.00 C ATOM 888 CD LYS A 58 6.058 -8.355 -2.246 1.00 0.00 C ATOM 889 CE LYS A 58 4.937 -8.326 -1.200 1.00 0.00 C ATOM 890 NZ LYS A 58 5.081 -9.498 -0.291 1.00 0.00 N ATOM 0 H LYS A 58 3.184 -6.936 -5.941 1.00 0.00 H new ATOM 0 HA LYS A 58 4.494 -5.186 -4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.079 -7.667 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.411 -7.999 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.006 -6.873 -3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.719 -6.230 -2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.955 -9.240 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.025 -8.428 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.982 -7.400 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.964 -8.350 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.142 -9.797 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.532 -10.282 -0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.670 -9.234 0.525 1.00 0.00 H new ATOM 904 N ALA A 59 6.495 -6.141 -6.685 1.00 0.00 N ATOM 905 CA ALA A 59 7.751 -5.744 -7.383 1.00 0.00 C ATOM 906 C ALA A 59 7.649 -4.283 -7.824 1.00 0.00 C ATOM 907 O ALA A 59 8.500 -3.470 -7.515 1.00 0.00 O ATOM 908 CB ALA A 59 7.957 -6.633 -8.610 1.00 0.00 C ATOM 0 H ALA A 59 6.012 -6.945 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 59 8.596 -5.861 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.875 -6.342 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.030 -7.674 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.113 -6.517 -9.289 1.00 0.00 H new ATOM 914 N ALA A 60 6.616 -3.938 -8.541 1.00 0.00 N ATOM 915 CA ALA A 60 6.469 -2.528 -8.995 1.00 0.00 C ATOM 916 C ALA A 60 6.276 -1.627 -7.774 1.00 0.00 C ATOM 917 O ALA A 60 6.515 -0.437 -7.823 1.00 0.00 O ATOM 918 CB ALA A 60 5.251 -2.411 -9.916 1.00 0.00 C ATOM 0 H ALA A 60 5.870 -4.570 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 60 7.362 -2.222 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.144 -1.378 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.386 -3.059 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.355 -2.713 -9.374 1.00 0.00 H new ATOM 924 N LEU A 61 5.852 -2.191 -6.677 1.00 0.00 N ATOM 925 CA LEU A 61 5.649 -1.376 -5.447 1.00 0.00 C ATOM 926 C LEU A 61 7.001 -0.844 -4.977 1.00 0.00 C ATOM 927 O LEU A 61 7.252 0.344 -4.981 1.00 0.00 O ATOM 928 CB LEU A 61 5.032 -2.254 -4.347 1.00 0.00 C ATOM 929 CG LEU A 61 4.296 -1.400 -3.293 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.162 -0.216 -2.843 1.00 0.00 C ATOM 931 CD2 LEU A 61 2.957 -0.884 -3.858 1.00 0.00 C ATOM 0 H LEU A 61 5.637 -3.183 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 61 4.979 -0.544 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.336 -2.964 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.815 -2.837 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 61 4.098 -2.033 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.620 0.370 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.089 -0.588 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.393 0.413 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.450 -0.284 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.146 -0.273 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.327 -1.731 -4.131 1.00 0.00 H new ATOM 943 N LEU A 62 7.869 -1.721 -4.555 1.00 0.00 N ATOM 944 CA LEU A 62 9.199 -1.272 -4.071 1.00 0.00 C ATOM 945 C LEU A 62 9.814 -0.322 -5.101 1.00 0.00 C ATOM 946 O LEU A 62 10.633 0.517 -4.780 1.00 0.00 O ATOM 947 CB LEU A 62 10.118 -2.485 -3.871 1.00 0.00 C ATOM 948 CG LEU A 62 9.340 -3.634 -3.219 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.315 -4.738 -2.806 1.00 0.00 C ATOM 950 CD2 LEU A 62 8.602 -3.122 -1.978 1.00 0.00 C ATOM 0 H LEU A 62 7.713 -2.728 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 62 9.084 -0.755 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.522 -2.807 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.967 -2.209 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 62 8.617 -4.029 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.763 -5.556 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.840 -5.108 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.037 -4.338 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.051 -3.942 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.323 -2.724 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.906 -2.334 -2.268 1.00 0.00 H new ATOM 962 N LEU A 63 9.421 -0.450 -6.339 1.00 0.00 N ATOM 963 CA LEU A 63 9.974 0.441 -7.397 1.00 0.00 C ATOM 964 C LEU A 63 9.500 1.876 -7.141 1.00 0.00 C ATOM 965 O LEU A 63 10.208 2.830 -7.395 1.00 0.00 O ATOM 966 CB LEU A 63 9.478 -0.036 -8.772 1.00 0.00 C ATOM 967 CG LEU A 63 10.393 0.508 -9.890 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.614 -0.405 -10.071 1.00 0.00 C ATOM 969 CD2 LEU A 63 9.615 0.561 -11.209 1.00 0.00 C ATOM 0 H LEU A 63 8.739 -1.135 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 63 11.063 0.411 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.463 -1.125 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.454 0.302 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 63 10.727 1.507 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.250 -0.009 -10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.178 -0.447 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.282 -1.408 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.262 0.945 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.277 -0.441 -11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.752 1.217 -11.096 1.00 0.00 H new ATOM 981 N ARG A 64 8.306 2.033 -6.638 1.00 0.00 N ATOM 982 CA ARG A 64 7.786 3.403 -6.364 1.00 0.00 C ATOM 983 C ARG A 64 8.527 4.005 -5.164 1.00 0.00 C ATOM 984 O ARG A 64 9.024 5.112 -5.227 1.00 0.00 O ATOM 985 CB ARG A 64 6.287 3.333 -6.042 1.00 0.00 C ATOM 986 CG ARG A 64 5.501 2.842 -7.271 1.00 0.00 C ATOM 987 CD ARG A 64 4.046 3.319 -7.184 1.00 0.00 C ATOM 988 NE ARG A 64 4.016 4.807 -7.094 1.00 0.00 N ATOM 989 CZ ARG A 64 2.904 5.455 -7.311 1.00 0.00 C ATOM 990 NH1 ARG A 64 1.817 4.800 -7.613 1.00 0.00 N ATOM 991 NH2 ARG A 64 2.880 6.756 -7.224 1.00 0.00 N ATOM 0 H ARG A 64 7.668 1.272 -6.405 1.00 0.00 H new ATOM 0 HA ARG A 64 7.944 4.026 -7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.119 2.660 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.926 4.316 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.963 3.219 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.534 1.754 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.490 2.986 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.560 2.881 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 64 4.867 5.320 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.837 3.782 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.947 5.306 -7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.730 7.267 -6.986 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.011 7.263 -7.394 1.00 0.00 H new ATOM 1005 N GLN A 65 8.601 3.290 -4.071 1.00 0.00 N ATOM 1006 CA GLN A 65 9.305 3.822 -2.870 1.00 0.00 C ATOM 1007 C GLN A 65 10.640 4.446 -3.281 1.00 0.00 C ATOM 1008 O GLN A 65 11.520 3.780 -3.790 1.00 0.00 O ATOM 1009 CB GLN A 65 9.556 2.676 -1.890 1.00 0.00 C ATOM 1010 CG GLN A 65 8.220 2.054 -1.478 1.00 0.00 C ATOM 1011 CD GLN A 65 7.497 2.994 -0.509 1.00 0.00 C ATOM 1012 OE1 GLN A 65 8.101 3.529 0.399 1.00 0.00 O ATOM 1013 NE2 GLN A 65 6.221 3.215 -0.666 1.00 0.00 N ATOM 0 H GLN A 65 8.202 2.358 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 65 8.688 4.586 -2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.193 1.922 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 65 10.084 3.045 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.602 1.877 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.387 1.086 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.716 2.765 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.729 3.838 -0.026 1.00 0.00 H new ATOM 1022 N GLY A 66 10.798 5.723 -3.064 1.00 0.00 N ATOM 1023 CA GLY A 66 12.073 6.395 -3.439 1.00 0.00 C ATOM 1024 C GLY A 66 11.915 7.908 -3.275 1.00 0.00 C ATOM 1025 O GLY A 66 12.551 8.520 -2.441 1.00 0.00 O ATOM 0 H GLY A 66 10.096 6.331 -2.642 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.887 6.033 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.335 6.155 -4.470 1.00 0.00 H new ATOM 1029 N GLU A 67 11.070 8.513 -4.064 1.00 0.00 N ATOM 1030 CA GLU A 67 10.867 9.985 -3.953 1.00 0.00 C ATOM 1031 C GLU A 67 9.687 10.402 -4.834 1.00 0.00 C ATOM 1032 O GLU A 67 9.623 10.062 -5.998 1.00 0.00 O ATOM 1033 CB GLU A 67 12.134 10.713 -4.412 1.00 0.00 C ATOM 1034 CG GLU A 67 12.410 10.393 -5.884 1.00 0.00 C ATOM 1035 CD GLU A 67 13.853 10.769 -6.230 1.00 0.00 C ATOM 1036 OE1 GLU A 67 14.338 11.743 -5.680 1.00 0.00 O ATOM 1037 OE2 GLU A 67 14.447 10.076 -7.039 1.00 0.00 O ATOM 0 H GLU A 67 10.511 8.051 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 67 10.657 10.247 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.015 11.788 -4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.982 10.409 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.245 9.332 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.718 10.942 -6.522 1.00 0.00 H new ATOM 1044 N ILE A 68 8.750 11.135 -4.281 1.00 0.00 N ATOM 1045 CA ILE A 68 7.559 11.587 -5.070 1.00 0.00 C ATOM 1046 C ILE A 68 7.584 13.113 -5.194 1.00 0.00 C ATOM 1047 O ILE A 68 8.001 13.655 -6.199 1.00 0.00 O ATOM 1048 CB ILE A 68 6.279 11.147 -4.351 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.373 9.653 -4.022 1.00 0.00 C ATOM 1050 CG2 ILE A 68 5.069 11.393 -5.257 1.00 0.00 C ATOM 1051 CD1 ILE A 68 5.112 9.209 -3.277 1.00 0.00 C ATOM 0 H ILE A 68 8.759 11.442 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 68 7.585 11.143 -6.065 1.00 0.00 H new ATOM 0 HB ILE A 68 6.163 11.720 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.488 9.075 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.255 9.460 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.160 11.079 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.003 12.455 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.181 10.820 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.182 8.146 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.017 9.777 -2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.238 9.387 -3.903 1.00 0.00 H new ATOM 1063 N GLU A 69 7.145 13.813 -4.181 1.00 0.00 N ATOM 1064 CA GLU A 69 7.142 15.306 -4.235 1.00 0.00 C ATOM 1065 C GLU A 69 8.403 15.836 -3.548 1.00 0.00 C ATOM 1066 O GLU A 69 8.468 15.930 -2.338 1.00 0.00 O ATOM 1067 CB GLU A 69 5.897 15.833 -3.508 1.00 0.00 C ATOM 1068 CG GLU A 69 5.627 17.284 -3.917 1.00 0.00 C ATOM 1069 CD GLU A 69 6.756 18.182 -3.406 1.00 0.00 C ATOM 1070 OE1 GLU A 69 6.685 18.592 -2.259 1.00 0.00 O ATOM 1071 OE2 GLU A 69 7.670 18.444 -4.170 1.00 0.00 O ATOM 0 H GLU A 69 6.786 13.413 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 69 7.126 15.641 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.034 15.212 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.042 15.771 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.553 17.358 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.672 17.616 -3.509 1.00 0.00 H new ATOM 1078 N THR A 70 9.404 16.187 -4.308 1.00 0.00 N ATOM 1079 CA THR A 70 10.656 16.710 -3.697 1.00 0.00 C ATOM 1080 C THR A 70 10.311 17.808 -2.688 1.00 0.00 C ATOM 1081 O THR A 70 9.719 18.812 -3.028 1.00 0.00 O ATOM 1082 CB THR A 70 11.549 17.286 -4.795 1.00 0.00 C ATOM 1083 OG1 THR A 70 10.920 18.424 -5.367 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.780 16.229 -5.876 1.00 0.00 C ATOM 0 H THR A 70 9.408 16.134 -5.327 1.00 0.00 H new ATOM 0 HA THR A 70 11.180 15.902 -3.186 1.00 0.00 H new ATOM 0 HB THR A 70 12.508 17.578 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.366 18.866 -4.690 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.417 16.642 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.265 15.358 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.823 15.933 -6.306 1.00 0.00 H new ATOM 1092 N SER A 71 10.680 17.623 -1.451 1.00 0.00 N ATOM 1093 CA SER A 71 10.373 18.654 -0.419 1.00 0.00 C ATOM 1094 C SER A 71 10.857 18.168 0.949 1.00 0.00 C ATOM 1095 O SER A 71 12.023 18.263 1.276 1.00 0.00 O ATOM 1096 CB SER A 71 8.863 18.895 -0.368 1.00 0.00 C ATOM 1097 OG SER A 71 8.513 19.408 0.910 1.00 0.00 O ATOM 0 H SER A 71 11.181 16.803 -1.110 1.00 0.00 H new ATOM 0 HA SER A 71 10.880 19.584 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.569 19.597 -1.148 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.328 17.965 -0.558 1.00 0.00 H new ATOM 0 HG SER A 71 8.429 20.383 0.859 1.00 0.00 H new ATOM 1103 N LEU A 72 9.968 17.647 1.751 1.00 0.00 N ATOM 1104 CA LEU A 72 10.377 17.155 3.097 1.00 0.00 C ATOM 1105 C LEU A 72 11.184 18.239 3.805 1.00 0.00 C ATOM 1106 O LEU A 72 12.385 18.335 3.649 1.00 0.00 O ATOM 1107 CB LEU A 72 11.226 15.889 2.942 1.00 0.00 C ATOM 1108 CG LEU A 72 10.660 15.034 1.809 1.00 0.00 C ATOM 1109 CD1 LEU A 72 11.416 13.708 1.748 1.00 0.00 C ATOM 1110 CD2 LEU A 72 9.175 14.765 2.066 1.00 0.00 C ATOM 0 H LEU A 72 8.977 17.541 1.532 1.00 0.00 H new ATOM 0 HA LEU A 72 9.492 16.920 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.261 16.156 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.228 15.323 3.873 1.00 0.00 H new ATOM 0 HG LEU A 72 10.774 15.561 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.014 13.097 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.473 13.900 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.301 13.180 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.771 14.155 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.059 14.237 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.636 15.711 2.111 1.00 0.00 H new ATOM 1122 N GLY A 73 10.533 19.070 4.569 1.00 0.00 N ATOM 1123 CA GLY A 73 11.269 20.158 5.265 1.00 0.00 C ATOM 1124 C GLY A 73 11.795 21.137 4.218 1.00 0.00 C ATOM 1125 O GLY A 73 12.322 22.182 4.539 1.00 0.00 O ATOM 0 H GLY A 73 9.528 19.043 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.611 20.671 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.094 19.745 5.846 1.00 0.00 H new ATOM 1129 N TYR A 74 11.656 20.795 2.960 1.00 0.00 N ATOM 1130 CA TYR A 74 12.142 21.689 1.877 1.00 0.00 C ATOM 1131 C TYR A 74 13.618 22.011 2.103 1.00 0.00 C ATOM 1132 O TYR A 74 14.215 22.783 1.379 1.00 0.00 O ATOM 1133 CB TYR A 74 11.318 22.976 1.867 1.00 0.00 C ATOM 1134 CG TYR A 74 9.888 22.654 1.506 1.00 0.00 C ATOM 1135 CD1 TYR A 74 9.506 22.560 0.153 1.00 0.00 C ATOM 1136 CD2 TYR A 74 8.936 22.445 2.523 1.00 0.00 C ATOM 1137 CE1 TYR A 74 8.172 22.258 -0.182 1.00 0.00 C ATOM 1138 CE2 TYR A 74 7.603 22.144 2.187 1.00 0.00 C ATOM 1139 CZ TYR A 74 7.220 22.050 0.834 1.00 0.00 C ATOM 1140 OH TYR A 74 5.913 21.753 0.505 1.00 0.00 O ATOM 0 H TYR A 74 11.223 19.928 2.641 1.00 0.00 H new ATOM 0 HA TYR A 74 12.031 21.190 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.359 23.454 2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.735 23.682 1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.236 22.719 -0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.229 22.516 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.879 22.186 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.873 21.985 2.967 1.00 0.00 H new ATOM 0 HH TYR A 74 5.387 21.639 1.324 1.00 0.00 H new ATOM 1150 N PHE A 75 14.220 21.409 3.096 1.00 0.00 N ATOM 1151 CA PHE A 75 15.664 21.657 3.366 1.00 0.00 C ATOM 1152 C PHE A 75 16.475 20.558 2.681 1.00 0.00 C ATOM 1153 O PHE A 75 17.680 20.645 2.552 1.00 0.00 O ATOM 1154 CB PHE A 75 15.921 21.613 4.875 1.00 0.00 C ATOM 1155 CG PHE A 75 15.034 22.622 5.569 1.00 0.00 C ATOM 1156 CD1 PHE A 75 15.180 23.996 5.291 1.00 0.00 C ATOM 1157 CD2 PHE A 75 14.063 22.193 6.497 1.00 0.00 C ATOM 1158 CE1 PHE A 75 14.356 24.937 5.937 1.00 0.00 C ATOM 1159 CE2 PHE A 75 13.240 23.136 7.142 1.00 0.00 C ATOM 1160 CZ PHE A 75 13.387 24.507 6.862 1.00 0.00 C ATOM 0 H PHE A 75 13.769 20.753 3.734 1.00 0.00 H new ATOM 0 HA PHE A 75 15.954 22.636 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 75 15.721 20.613 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 75 16.969 21.831 5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 75 15.924 24.327 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 75 13.950 21.141 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 75 14.468 25.990 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 75 12.496 22.807 7.852 1.00 0.00 H new ATOM 0 HZ PHE A 75 12.756 25.230 7.357 1.00 0.00 H new ATOM 1170 N GLU A 76 15.813 19.520 2.236 1.00 0.00 N ATOM 1171 CA GLU A 76 16.529 18.401 1.551 1.00 0.00 C ATOM 1172 C GLU A 76 16.425 18.585 0.035 1.00 0.00 C ATOM 1173 O GLU A 76 15.367 18.856 -0.495 1.00 0.00 O ATOM 1174 CB GLU A 76 15.886 17.068 1.947 1.00 0.00 C ATOM 1175 CG GLU A 76 16.311 16.697 3.370 1.00 0.00 C ATOM 1176 CD GLU A 76 15.827 17.770 4.346 1.00 0.00 C ATOM 1177 OE1 GLU A 76 14.667 18.137 4.262 1.00 0.00 O ATOM 1178 OE2 GLU A 76 16.624 18.205 5.159 1.00 0.00 O ATOM 1179 OXT GLU A 76 17.516 18.439 -0.666 1.00 0.00 O ATOM 0 H GLU A 76 14.804 19.399 2.318 1.00 0.00 H new ATOM 0 HA GLU A 76 17.578 18.402 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.800 17.145 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.188 16.286 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.894 15.728 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.396 16.605 3.424 1.00 0.00 H new TER 1186 GLU A 76