USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 721 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 69 SER OG : rot 180:sc= -0.502 USER MOD Set 1.2: A 72 THR OG1 : rot 62:sc= 0.783 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -2.13 USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.00399 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 11 CYS SG : rot -160:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 35:sc= 0.0165 USER MOD Single : A 20 SER OG : rot 32:sc= 0.345 USER MOD Single : A 25 GLN : amide:sc= -0.564 K(o=-0.56,f=-6.6!) USER MOD Single : A 27 ASN : amide:sc=-0.00281 X(o=-0.0028,f=-0.23) USER MOD Single : A 33 SER OG : rot 37:sc= 0.536 USER MOD Single : A 34 ASN :FLIP amide:sc= -1.29 F(o=-1.9,f=-1.3) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 39 THR OG1 : rot -43:sc= 0.367 USER MOD Single : A 41 TYR OH : rot 70:sc= -0.692 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 172:sc= 0 (180deg=-0.0949) USER MOD Single : A 53 GLN : amide:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 57 CYS SG : rot 5:sc= 0.756 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.154 USER MOD Single : A 75 TYR OH : rot 30:sc= -0.73 USER MOD Single : A 76 CYS SG : rot 29:sc= -0.864 USER MOD Single : A 79 GLN : amide:sc= -3.55! C(o=-3.5!,f=-12!) USER MOD Single : A 82 SER OG : rot -75:sc= 1.3 USER MOD Single : A 90 SER OG : rot 110:sc= 0 USER MOD Single : A 95 CYS SG : rot 170:sc= -0.394 USER MOD Single : A 97 THR OG1 : rot 174:sc= 1.21 USER MOD Single : A 100 SER OG : rot -56:sc= 0.0466 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.091 -27.923 -3.623 1.00 0.00 N ATOM 2 CA GLY A 1 -15.900 -27.015 -2.832 1.00 0.00 C ATOM 3 C GLY A 1 -15.271 -26.700 -1.489 1.00 0.00 C ATOM 4 O GLY A 1 -14.720 -27.583 -0.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.645 -27.400 -4.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.354 -28.344 -3.022 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.694 -28.676 -4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.049 -26.088 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.885 -27.454 -2.675 1.00 0.00 H new ATOM 8 N SER A 2 -15.352 -25.437 -1.081 1.00 0.00 N ATOM 9 CA SER A 2 -14.782 -25.007 0.191 1.00 0.00 C ATOM 10 C SER A 2 -15.738 -25.298 1.342 1.00 0.00 C ATOM 11 O SER A 2 -16.951 -25.394 1.148 1.00 0.00 O ATOM 12 CB SER A 2 -14.457 -23.512 0.147 1.00 0.00 C ATOM 13 OG SER A 2 -15.638 -22.737 0.030 1.00 0.00 O ATOM 0 H SER A 2 -15.806 -24.694 -1.612 1.00 0.00 H new ATOM 0 HA SER A 2 -13.862 -25.568 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.919 -23.227 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.797 -23.305 -0.695 1.00 0.00 H new ATOM 0 HG SER A 2 -15.404 -21.786 0.006 1.00 0.00 H new ATOM 19 N SER A 3 -15.185 -25.438 2.542 1.00 0.00 N ATOM 20 CA SER A 3 -15.988 -25.722 3.726 1.00 0.00 C ATOM 21 C SER A 3 -16.419 -24.430 4.414 1.00 0.00 C ATOM 22 O SER A 3 -17.610 -24.150 4.542 1.00 0.00 O ATOM 23 CB SER A 3 -15.200 -26.594 4.705 1.00 0.00 C ATOM 24 OG SER A 3 -13.934 -26.027 4.990 1.00 0.00 O ATOM 0 H SER A 3 -14.184 -25.359 2.721 1.00 0.00 H new ATOM 0 HA SER A 3 -16.881 -26.260 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.766 -26.710 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.069 -27.591 4.284 1.00 0.00 H new ATOM 0 HG SER A 3 -13.452 -26.603 5.619 1.00 0.00 H new ATOM 30 N GLY A 4 -15.440 -23.645 4.853 1.00 0.00 N ATOM 31 CA GLY A 4 -15.737 -22.392 5.521 1.00 0.00 C ATOM 32 C GLY A 4 -14.658 -21.349 5.306 1.00 0.00 C ATOM 33 O GLY A 4 -13.788 -21.161 6.156 1.00 0.00 O ATOM 0 H GLY A 4 -14.446 -23.855 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.689 -22.006 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.855 -22.573 6.589 1.00 0.00 H new ATOM 37 N SER A 5 -14.712 -20.671 4.165 1.00 0.00 N ATOM 38 CA SER A 5 -13.728 -19.645 3.837 1.00 0.00 C ATOM 39 C SER A 5 -14.404 -18.295 3.616 1.00 0.00 C ATOM 40 O SER A 5 -14.931 -18.022 2.538 1.00 0.00 O ATOM 41 CB SER A 5 -12.940 -20.045 2.588 1.00 0.00 C ATOM 42 OG SER A 5 -11.690 -19.380 2.540 1.00 0.00 O ATOM 0 H SER A 5 -15.427 -20.813 3.451 1.00 0.00 H new ATOM 0 HA SER A 5 -13.040 -19.554 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.782 -21.124 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.518 -19.804 1.696 1.00 0.00 H new ATOM 0 HG SER A 5 -11.205 -19.654 1.734 1.00 0.00 H new ATOM 48 N SER A 6 -14.383 -17.455 4.645 1.00 0.00 N ATOM 49 CA SER A 6 -14.996 -16.134 4.567 1.00 0.00 C ATOM 50 C SER A 6 -13.949 -15.065 4.270 1.00 0.00 C ATOM 51 O SER A 6 -13.317 -14.530 5.180 1.00 0.00 O ATOM 52 CB SER A 6 -15.720 -15.806 5.873 1.00 0.00 C ATOM 53 OG SER A 6 -16.871 -16.616 6.037 1.00 0.00 O ATOM 0 H SER A 6 -13.948 -17.665 5.543 1.00 0.00 H new ATOM 0 HA SER A 6 -15.720 -16.145 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.044 -15.956 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.008 -14.755 5.878 1.00 0.00 H new ATOM 0 HG SER A 6 -17.314 -16.387 6.880 1.00 0.00 H new ATOM 59 N GLY A 7 -13.769 -14.761 2.988 1.00 0.00 N ATOM 60 CA GLY A 7 -12.797 -13.758 2.593 1.00 0.00 C ATOM 61 C GLY A 7 -11.753 -14.306 1.640 1.00 0.00 C ATOM 62 O GLY A 7 -11.461 -15.502 1.626 1.00 0.00 O ATOM 0 H GLY A 7 -14.279 -15.191 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.313 -12.923 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.303 -13.365 3.482 1.00 0.00 H new ATOM 66 N PRO A 8 -11.174 -13.419 0.818 1.00 0.00 N ATOM 67 CA PRO A 8 -10.149 -13.798 -0.160 1.00 0.00 C ATOM 68 C PRO A 8 -8.833 -14.191 0.502 1.00 0.00 C ATOM 69 O PRO A 8 -8.688 -14.094 1.721 1.00 0.00 O ATOM 70 CB PRO A 8 -9.969 -12.527 -0.995 1.00 0.00 C ATOM 71 CG PRO A 8 -10.383 -11.418 -0.091 1.00 0.00 C ATOM 72 CD PRO A 8 -11.474 -11.978 0.779 1.00 0.00 C ATOM 0 HA PRO A 8 -10.445 -14.670 -0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.935 -12.409 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.583 -12.554 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.543 -11.071 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.741 -10.562 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.459 -11.537 1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.461 -11.784 0.360 1.00 0.00 H new ATOM 80 N ASP A 9 -7.877 -14.633 -0.307 1.00 0.00 N ATOM 81 CA ASP A 9 -6.572 -15.039 0.201 1.00 0.00 C ATOM 82 C ASP A 9 -5.698 -13.822 0.488 1.00 0.00 C ATOM 83 O ASP A 9 -5.941 -12.735 -0.037 1.00 0.00 O ATOM 84 CB ASP A 9 -5.874 -15.959 -0.802 1.00 0.00 C ATOM 85 CG ASP A 9 -5.745 -15.328 -2.174 1.00 0.00 C ATOM 86 OD1 ASP A 9 -6.776 -15.199 -2.868 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.615 -14.960 -2.555 1.00 0.00 O ATOM 0 H ASP A 9 -7.981 -14.719 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.725 -15.582 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.882 -16.214 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.433 -16.891 -0.885 1.00 0.00 H new ATOM 92 N GLN A 10 -4.682 -14.013 1.323 1.00 0.00 N ATOM 93 CA GLN A 10 -3.773 -12.930 1.680 1.00 0.00 C ATOM 94 C GLN A 10 -3.366 -12.132 0.447 1.00 0.00 C ATOM 95 O GLN A 10 -3.430 -12.632 -0.678 1.00 0.00 O ATOM 96 CB GLN A 10 -2.530 -13.487 2.376 1.00 0.00 C ATOM 97 CG GLN A 10 -1.473 -12.435 2.666 1.00 0.00 C ATOM 98 CD GLN A 10 -0.392 -12.937 3.603 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.434 -14.078 4.063 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.584 -12.085 3.892 1.00 0.00 N ATOM 0 H GLN A 10 -4.468 -14.907 1.765 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.295 -12.263 2.365 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.829 -13.958 3.313 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.093 -14.267 1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.017 -12.116 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.949 -11.558 3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.579 -11.148 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.338 -12.367 4.518 1.00 0.00 H new ATOM 109 N CYS A 11 -2.947 -10.891 0.662 1.00 0.00 N ATOM 110 CA CYS A 11 -2.530 -10.022 -0.433 1.00 0.00 C ATOM 111 C CYS A 11 -1.021 -9.801 -0.407 1.00 0.00 C ATOM 112 O CYS A 11 -0.442 -9.517 0.642 1.00 0.00 O ATOM 113 CB CYS A 11 -3.256 -8.679 -0.352 1.00 0.00 C ATOM 114 SG CYS A 11 -5.055 -8.818 -0.233 1.00 0.00 S ATOM 0 H CYS A 11 -2.887 -10.463 1.586 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.791 -10.511 -1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.887 -8.130 0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.005 -8.089 -1.234 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.602 -7.693 -0.587 1.00 0.00 H new ATOM 120 N LYS A 12 -0.389 -9.934 -1.568 1.00 0.00 N ATOM 121 CA LYS A 12 1.053 -9.749 -1.681 1.00 0.00 C ATOM 122 C LYS A 12 1.431 -8.285 -1.488 1.00 0.00 C ATOM 123 O LYS A 12 0.645 -7.375 -1.758 1.00 0.00 O ATOM 124 CB LYS A 12 1.546 -10.239 -3.044 1.00 0.00 C ATOM 125 CG LYS A 12 1.194 -9.305 -4.189 1.00 0.00 C ATOM 126 CD LYS A 12 2.226 -9.374 -5.302 1.00 0.00 C ATOM 127 CE LYS A 12 2.293 -8.070 -6.082 1.00 0.00 C ATOM 128 NZ LYS A 12 3.379 -8.088 -7.100 1.00 0.00 N ATOM 0 H LYS A 12 -0.853 -10.170 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 12 1.531 -10.335 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.628 -10.363 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.119 -11.222 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.213 -9.567 -4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.126 -8.282 -3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.205 -9.596 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.978 -10.192 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.337 -7.892 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.456 -7.242 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.392 -7.182 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.295 -8.233 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.210 -8.862 -7.774 1.00 0.00 H new ATOM 142 N PRO A 13 2.662 -8.048 -1.010 1.00 0.00 N ATOM 143 CA PRO A 13 3.172 -6.694 -0.773 1.00 0.00 C ATOM 144 C PRO A 13 3.421 -5.933 -2.071 1.00 0.00 C ATOM 145 O PRO A 13 3.950 -6.471 -3.043 1.00 0.00 O ATOM 146 CB PRO A 13 4.489 -6.937 -0.034 1.00 0.00 C ATOM 147 CG PRO A 13 4.917 -8.299 -0.457 1.00 0.00 C ATOM 148 CD PRO A 13 3.651 -9.082 -0.667 1.00 0.00 C ATOM 0 HA PRO A 13 2.462 -6.082 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.235 -6.188 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.352 -6.883 1.046 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.506 -8.256 -1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.543 -8.765 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.760 -9.815 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.364 -9.630 0.230 1.00 0.00 H new ATOM 156 N PRO A 14 3.033 -4.649 -2.088 1.00 0.00 N ATOM 157 CA PRO A 14 3.205 -3.786 -3.261 1.00 0.00 C ATOM 158 C PRO A 14 4.670 -3.449 -3.522 1.00 0.00 C ATOM 159 O PRO A 14 5.517 -3.606 -2.643 1.00 0.00 O ATOM 160 CB PRO A 14 2.423 -2.524 -2.891 1.00 0.00 C ATOM 161 CG PRO A 14 2.423 -2.502 -1.401 1.00 0.00 C ATOM 162 CD PRO A 14 2.395 -3.941 -0.966 1.00 0.00 C ATOM 0 HA PRO A 14 2.857 -4.266 -4.175 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.896 -1.631 -3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.408 -2.557 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.309 -1.996 -1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.557 -1.962 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.941 -4.090 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.376 -4.290 -0.798 1.00 0.00 H new ATOM 170 N GLN A 15 4.958 -2.985 -4.734 1.00 0.00 N ATOM 171 CA GLN A 15 6.321 -2.625 -5.108 1.00 0.00 C ATOM 172 C GLN A 15 6.515 -1.113 -5.069 1.00 0.00 C ATOM 173 O GLN A 15 5.974 -0.385 -5.901 1.00 0.00 O ATOM 174 CB GLN A 15 6.645 -3.157 -6.505 1.00 0.00 C ATOM 175 CG GLN A 15 8.119 -3.460 -6.714 1.00 0.00 C ATOM 176 CD GLN A 15 8.360 -4.436 -7.849 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.912 -5.583 -7.802 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.070 -3.986 -8.877 1.00 0.00 N ATOM 0 H GLN A 15 4.267 -2.850 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 15 7.001 -3.078 -4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.068 -4.064 -6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.324 -2.425 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.651 -2.531 -6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.536 -3.869 -5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.422 -3.028 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.264 -4.598 -9.670 1.00 0.00 H new ATOM 187 N VAL A 16 7.293 -0.646 -4.096 1.00 0.00 N ATOM 188 CA VAL A 16 7.559 0.780 -3.950 1.00 0.00 C ATOM 189 C VAL A 16 8.659 1.234 -4.901 1.00 0.00 C ATOM 190 O VAL A 16 9.793 0.758 -4.832 1.00 0.00 O ATOM 191 CB VAL A 16 7.969 1.128 -2.506 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.743 1.218 -1.610 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.957 0.102 -1.971 1.00 0.00 C ATOM 0 H VAL A 16 7.749 -1.234 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 16 6.634 1.302 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 16 8.458 2.102 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.052 1.465 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.075 1.994 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.222 0.260 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.236 0.363 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.496 -0.886 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.848 0.093 -2.599 1.00 0.00 H new ATOM 203 N THR A 17 8.319 2.160 -5.793 1.00 0.00 N ATOM 204 CA THR A 17 9.276 2.679 -6.761 1.00 0.00 C ATOM 205 C THR A 17 9.603 4.141 -6.481 1.00 0.00 C ATOM 206 O THR A 17 8.938 5.045 -6.990 1.00 0.00 O ATOM 207 CB THR A 17 8.746 2.550 -8.201 1.00 0.00 C ATOM 208 OG1 THR A 17 8.538 1.171 -8.525 1.00 0.00 O ATOM 209 CG2 THR A 17 9.719 3.168 -9.194 1.00 0.00 C ATOM 0 H THR A 17 7.386 2.566 -5.864 1.00 0.00 H new ATOM 0 HA THR A 17 10.182 2.081 -6.661 1.00 0.00 H new ATOM 0 HB THR A 17 7.798 3.085 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.199 1.098 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.323 3.065 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.852 4.225 -8.963 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.680 2.658 -9.127 1.00 0.00 H new ATOM 217 N CYS A 18 10.631 4.368 -5.669 1.00 0.00 N ATOM 218 CA CYS A 18 11.046 5.723 -5.322 1.00 0.00 C ATOM 219 C CYS A 18 11.295 6.554 -6.576 1.00 0.00 C ATOM 220 O CYS A 18 12.171 6.234 -7.381 1.00 0.00 O ATOM 221 CB CYS A 18 12.308 5.686 -4.460 1.00 0.00 C ATOM 222 SG CYS A 18 13.711 4.852 -5.240 1.00 0.00 S ATOM 0 H CYS A 18 11.191 3.632 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 18 10.241 6.189 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.597 6.708 -4.214 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.078 5.185 -3.520 1.00 0.00 H new ATOM 0 HG CYS A 18 13.697 5.084 -6.519 1.00 0.00 H new ATOM 228 N ARG A 19 10.520 7.621 -6.736 1.00 0.00 N ATOM 229 CA ARG A 19 10.655 8.496 -7.895 1.00 0.00 C ATOM 230 C ARG A 19 11.721 9.561 -7.650 1.00 0.00 C ATOM 231 O ARG A 19 12.517 9.872 -8.536 1.00 0.00 O ATOM 232 CB ARG A 19 9.317 9.163 -8.215 1.00 0.00 C ATOM 233 CG ARG A 19 8.281 8.209 -8.787 1.00 0.00 C ATOM 234 CD ARG A 19 8.362 8.143 -10.304 1.00 0.00 C ATOM 235 NE ARG A 19 8.016 9.417 -10.927 1.00 0.00 N ATOM 236 CZ ARG A 19 8.418 9.775 -12.141 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.177 8.958 -12.860 1.00 0.00 N ATOM 238 NH2 ARG A 19 8.062 10.952 -12.640 1.00 0.00 N ATOM 0 H ARG A 19 9.792 7.901 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 19 10.962 7.887 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.920 9.615 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.485 9.972 -8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.432 7.213 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.284 8.532 -8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.371 7.857 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.690 7.367 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 19 7.433 10.068 -10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.453 8.052 -12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.484 9.236 -13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.479 11.583 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.372 11.225 -13.573 1.00 0.00 H new ATOM 252 N SER A 20 11.728 10.117 -6.442 1.00 0.00 N ATOM 253 CA SER A 20 12.693 11.149 -6.082 1.00 0.00 C ATOM 254 C SER A 20 12.905 11.192 -4.572 1.00 0.00 C ATOM 255 O SER A 20 12.367 10.365 -3.836 1.00 0.00 O ATOM 256 CB SER A 20 12.218 12.516 -6.581 1.00 0.00 C ATOM 257 OG SER A 20 12.697 12.776 -7.890 1.00 0.00 O ATOM 0 H SER A 20 11.077 9.870 -5.697 1.00 0.00 H new ATOM 0 HA SER A 20 13.643 10.906 -6.558 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.129 12.550 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.565 13.295 -5.902 1.00 0.00 H new ATOM 0 HG SER A 20 12.768 11.934 -8.386 1.00 0.00 H new ATOM 263 N ALA A 21 13.693 12.160 -4.119 1.00 0.00 N ATOM 264 CA ALA A 21 13.976 12.314 -2.697 1.00 0.00 C ATOM 265 C ALA A 21 12.688 12.482 -1.896 1.00 0.00 C ATOM 266 O ALA A 21 12.589 12.027 -0.757 1.00 0.00 O ATOM 267 CB ALA A 21 14.901 13.499 -2.467 1.00 0.00 C ATOM 0 H ALA A 21 14.148 12.851 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 21 14.473 11.408 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.103 13.601 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.838 13.338 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.426 14.408 -2.835 1.00 0.00 H new ATOM 273 N THR A 22 11.703 13.139 -2.500 1.00 0.00 N ATOM 274 CA THR A 22 10.422 13.370 -1.843 1.00 0.00 C ATOM 275 C THR A 22 9.270 12.826 -2.679 1.00 0.00 C ATOM 276 O THR A 22 8.145 13.322 -2.599 1.00 0.00 O ATOM 277 CB THR A 22 10.188 14.868 -1.579 1.00 0.00 C ATOM 278 OG1 THR A 22 10.059 15.571 -2.820 1.00 0.00 O ATOM 279 CG2 THR A 22 11.333 15.462 -0.771 1.00 0.00 C ATOM 0 H THR A 22 11.768 13.521 -3.444 1.00 0.00 H new ATOM 0 HA THR A 22 10.456 12.843 -0.890 1.00 0.00 H new ATOM 0 HB THR A 22 9.267 14.972 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.909 16.523 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.145 16.521 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.409 14.945 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.266 15.345 -1.322 1.00 0.00 H new ATOM 287 N CYS A 23 9.556 11.806 -3.480 1.00 0.00 N ATOM 288 CA CYS A 23 8.542 11.196 -4.333 1.00 0.00 C ATOM 289 C CYS A 23 8.602 9.674 -4.245 1.00 0.00 C ATOM 290 O CYS A 23 9.672 9.095 -4.056 1.00 0.00 O ATOM 291 CB CYS A 23 8.728 11.643 -5.784 1.00 0.00 C ATOM 292 SG CYS A 23 8.744 13.437 -6.006 1.00 0.00 S ATOM 0 H CYS A 23 10.481 11.384 -3.557 1.00 0.00 H new ATOM 0 HA CYS A 23 7.563 11.524 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.664 11.232 -6.163 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.926 11.220 -6.389 1.00 0.00 H new ATOM 0 HG CYS A 23 8.908 13.717 -7.265 1.00 0.00 H new ATOM 298 N ALA A 24 7.447 9.032 -4.381 1.00 0.00 N ATOM 299 CA ALA A 24 7.369 7.578 -4.318 1.00 0.00 C ATOM 300 C ALA A 24 6.127 7.063 -5.039 1.00 0.00 C ATOM 301 O ALA A 24 5.181 7.812 -5.276 1.00 0.00 O ATOM 302 CB ALA A 24 7.371 7.112 -2.870 1.00 0.00 C ATOM 0 H ALA A 24 6.552 9.496 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 24 8.245 7.170 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.312 6.024 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.289 7.440 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.513 7.537 -2.350 1.00 0.00 H new ATOM 308 N GLN A 25 6.139 5.780 -5.386 1.00 0.00 N ATOM 309 CA GLN A 25 5.015 5.166 -6.082 1.00 0.00 C ATOM 310 C GLN A 25 4.760 3.754 -5.566 1.00 0.00 C ATOM 311 O GLN A 25 5.697 2.994 -5.321 1.00 0.00 O ATOM 312 CB GLN A 25 5.277 5.132 -7.589 1.00 0.00 C ATOM 313 CG GLN A 25 4.238 4.344 -8.369 1.00 0.00 C ATOM 314 CD GLN A 25 3.054 5.194 -8.786 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.105 6.423 -8.724 1.00 0.00 O ATOM 316 NE2 GLN A 25 1.979 4.543 -9.215 1.00 0.00 N ATOM 0 H GLN A 25 6.915 5.146 -5.196 1.00 0.00 H new ATOM 0 HA GLN A 25 4.128 5.769 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.306 6.154 -7.968 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.261 4.698 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.703 3.915 -9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.886 3.511 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.980 3.524 -9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.152 5.062 -9.510 1.00 0.00 H new ATOM 325 N VAL A 26 3.488 3.410 -5.402 1.00 0.00 N ATOM 326 CA VAL A 26 3.109 2.088 -4.916 1.00 0.00 C ATOM 327 C VAL A 26 2.293 1.332 -5.957 1.00 0.00 C ATOM 328 O VAL A 26 1.541 1.929 -6.726 1.00 0.00 O ATOM 329 CB VAL A 26 2.295 2.182 -3.611 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.073 0.799 -3.020 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.994 3.092 -2.612 1.00 0.00 C ATOM 0 H VAL A 26 2.701 4.028 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 26 4.034 1.546 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 26 1.321 2.613 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.496 0.885 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.527 0.182 -3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.036 0.337 -2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.405 3.147 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.982 2.692 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.096 4.090 -3.038 1.00 0.00 H new ATOM 341 N ASN A 27 2.447 0.011 -5.977 1.00 0.00 N ATOM 342 CA ASN A 27 1.724 -0.828 -6.926 1.00 0.00 C ATOM 343 C ASN A 27 1.380 -2.179 -6.305 1.00 0.00 C ATOM 344 O ASN A 27 2.257 -2.886 -5.810 1.00 0.00 O ATOM 345 CB ASN A 27 2.555 -1.034 -8.194 1.00 0.00 C ATOM 346 CG ASN A 27 2.415 0.118 -9.169 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.304 0.527 -9.510 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.544 0.648 -9.626 1.00 0.00 N ATOM 0 H ASN A 27 3.065 -0.500 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 27 0.795 -0.320 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.604 -1.152 -7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.246 -1.959 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.512 1.425 -10.286 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.443 0.278 -9.317 1.00 0.00 H new ATOM 355 N TRP A 28 0.100 -2.529 -6.335 1.00 0.00 N ATOM 356 CA TRP A 28 -0.359 -3.796 -5.776 1.00 0.00 C ATOM 357 C TRP A 28 -1.185 -4.573 -6.796 1.00 0.00 C ATOM 358 O TRP A 28 -1.363 -4.130 -7.930 1.00 0.00 O ATOM 359 CB TRP A 28 -1.185 -3.549 -4.513 1.00 0.00 C ATOM 360 CG TRP A 28 -2.349 -2.629 -4.734 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.640 -2.989 -4.994 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.324 -1.198 -4.716 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.420 -1.867 -5.139 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.637 -0.756 -4.972 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.322 -0.246 -4.507 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -3.971 0.594 -5.025 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.654 1.093 -4.560 1.00 0.00 C ATOM 368 CH2 TRP A 28 -2.970 1.504 -4.817 1.00 0.00 C ATOM 0 H TRP A 28 -0.639 -1.954 -6.740 1.00 0.00 H new ATOM 0 HA TRP A 28 0.517 -4.391 -5.518 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.552 -4.503 -4.135 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.540 -3.128 -3.742 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.996 -4.006 -5.074 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.420 -1.862 -5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.306 -0.553 -4.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.984 0.912 -5.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.887 1.837 -4.401 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.198 2.559 -4.851 1.00 0.00 H new ATOM 379 N GLU A 29 -1.686 -5.733 -6.383 1.00 0.00 N ATOM 380 CA GLU A 29 -2.493 -6.572 -7.262 1.00 0.00 C ATOM 381 C GLU A 29 -3.613 -7.258 -6.483 1.00 0.00 C ATOM 382 O GLU A 29 -3.670 -7.176 -5.256 1.00 0.00 O ATOM 383 CB GLU A 29 -1.617 -7.621 -7.948 1.00 0.00 C ATOM 384 CG GLU A 29 -1.279 -8.806 -7.060 1.00 0.00 C ATOM 385 CD GLU A 29 -0.640 -9.948 -7.828 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.248 -9.679 -8.662 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.031 -11.111 -7.594 1.00 0.00 O ATOM 0 H GLU A 29 -1.548 -6.113 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.942 -5.932 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.128 -7.981 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.691 -7.150 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.602 -8.481 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.188 -9.163 -6.575 1.00 0.00 H new ATOM 394 N VAL A 30 -4.500 -7.932 -7.207 1.00 0.00 N ATOM 395 CA VAL A 30 -5.618 -8.634 -6.584 1.00 0.00 C ATOM 396 C VAL A 30 -5.300 -10.113 -6.393 1.00 0.00 C ATOM 397 O VAL A 30 -4.782 -10.783 -7.287 1.00 0.00 O ATOM 398 CB VAL A 30 -6.902 -8.500 -7.425 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.088 -9.098 -6.686 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.160 -7.041 -7.774 1.00 0.00 C ATOM 0 H VAL A 30 -4.467 -8.008 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.780 -8.172 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.767 -9.053 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.986 -8.994 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.901 -10.154 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.229 -8.575 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.071 -6.965 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.275 -6.462 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.319 -6.650 -8.347 1.00 0.00 H new ATOM 410 N PRO A 31 -5.618 -10.637 -5.201 1.00 0.00 N ATOM 411 CA PRO A 31 -5.378 -12.043 -4.865 1.00 0.00 C ATOM 412 C PRO A 31 -6.294 -12.988 -5.633 1.00 0.00 C ATOM 413 O PRO A 31 -7.174 -12.549 -6.375 1.00 0.00 O ATOM 414 CB PRO A 31 -5.681 -12.106 -3.365 1.00 0.00 C ATOM 415 CG PRO A 31 -6.628 -10.981 -3.124 1.00 0.00 C ATOM 416 CD PRO A 31 -6.238 -9.896 -4.088 1.00 0.00 C ATOM 0 HA PRO A 31 -4.367 -12.356 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.125 -13.063 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.773 -11.994 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.658 -11.297 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.562 -10.630 -2.094 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.104 -9.322 -4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.541 -9.189 -3.638 1.00 0.00 H new ATOM 424 N LEU A 32 -6.082 -14.287 -5.452 1.00 0.00 N ATOM 425 CA LEU A 32 -6.891 -15.295 -6.129 1.00 0.00 C ATOM 426 C LEU A 32 -8.295 -15.354 -5.539 1.00 0.00 C ATOM 427 O LEU A 32 -8.571 -16.154 -4.645 1.00 0.00 O ATOM 428 CB LEU A 32 -6.223 -16.668 -6.023 1.00 0.00 C ATOM 429 CG LEU A 32 -4.858 -16.804 -6.698 1.00 0.00 C ATOM 430 CD1 LEU A 32 -4.065 -17.943 -6.073 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.022 -17.024 -8.194 1.00 0.00 C ATOM 0 H LEU A 32 -5.357 -14.667 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.971 -15.015 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.110 -16.914 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.895 -17.411 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.305 -15.877 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.096 -18.025 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.916 -17.743 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.614 -18.877 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.040 -17.119 -8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.594 -17.935 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.549 -16.176 -8.631 1.00 0.00 H new ATOM 443 N SER A 33 -9.181 -14.503 -6.047 1.00 0.00 N ATOM 444 CA SER A 33 -10.558 -14.457 -5.570 1.00 0.00 C ATOM 445 C SER A 33 -11.539 -14.442 -6.738 1.00 0.00 C ATOM 446 O SER A 33 -11.529 -13.526 -7.560 1.00 0.00 O ATOM 447 CB SER A 33 -10.775 -13.222 -4.693 1.00 0.00 C ATOM 448 OG SER A 33 -10.592 -12.029 -5.437 1.00 0.00 O ATOM 0 H SER A 33 -8.969 -13.836 -6.789 1.00 0.00 H new ATOM 0 HA SER A 33 -10.740 -15.353 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.781 -13.242 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.080 -13.241 -3.854 1.00 0.00 H new ATOM 0 HG SER A 33 -10.940 -12.153 -6.345 1.00 0.00 H new ATOM 454 N ASN A 34 -12.385 -15.465 -6.806 1.00 0.00 N ATOM 455 CA ASN A 34 -13.372 -15.572 -7.874 1.00 0.00 C ATOM 456 C ASN A 34 -14.775 -15.292 -7.347 1.00 0.00 C ATOM 457 O ASN A 34 -15.516 -14.490 -7.915 1.00 0.00 O ATOM 458 CB ASN A 34 -13.320 -16.964 -8.507 1.00 0.00 C ATOM 459 CG ASN A 34 -13.669 -18.061 -7.521 1.00 0.00 C ATOM 460 OD1 ASN A 34 -12.709 -18.429 -6.680 1.00 0.00 O flip ATOM 461 ND2 ASN A 34 -14.789 -18.572 -7.514 1.00 0.00 N flip ATOM 0 H ASN A 34 -12.407 -16.232 -6.134 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.133 -14.827 -8.633 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.011 -17.003 -9.349 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.321 -17.142 -8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.497 -18.259 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.009 -19.309 -6.844 1.00 0.00 H new ATOM 468 N GLY A 35 -15.136 -15.961 -6.255 1.00 0.00 N ATOM 469 CA GLY A 35 -16.450 -15.770 -5.668 1.00 0.00 C ATOM 470 C GLY A 35 -16.723 -14.321 -5.315 1.00 0.00 C ATOM 471 O GLY A 35 -17.284 -13.574 -6.117 1.00 0.00 O ATOM 0 H GLY A 35 -14.542 -16.631 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.211 -16.120 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.536 -16.382 -4.770 1.00 0.00 H new ATOM 475 N THR A 36 -16.327 -13.922 -4.110 1.00 0.00 N ATOM 476 CA THR A 36 -16.534 -12.555 -3.651 1.00 0.00 C ATOM 477 C THR A 36 -15.516 -11.606 -4.272 1.00 0.00 C ATOM 478 O THR A 36 -14.336 -11.936 -4.387 1.00 0.00 O ATOM 479 CB THR A 36 -16.441 -12.457 -2.117 1.00 0.00 C ATOM 480 OG1 THR A 36 -16.801 -11.140 -1.687 1.00 0.00 O ATOM 481 CG2 THR A 36 -15.035 -12.786 -1.639 1.00 0.00 C ATOM 0 H THR A 36 -15.861 -14.527 -3.434 1.00 0.00 H new ATOM 0 HA THR A 36 -17.536 -12.265 -3.966 1.00 0.00 H new ATOM 0 HB THR A 36 -17.133 -13.180 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.896 -11.129 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.993 -12.710 -0.552 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.776 -13.800 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.327 -12.083 -2.079 1.00 0.00 H new ATOM 489 N ASP A 37 -15.980 -10.428 -4.673 1.00 0.00 N ATOM 490 CA ASP A 37 -15.110 -9.429 -5.281 1.00 0.00 C ATOM 491 C ASP A 37 -14.669 -8.392 -4.252 1.00 0.00 C ATOM 492 O ASP A 37 -15.376 -8.127 -3.281 1.00 0.00 O ATOM 493 CB ASP A 37 -15.823 -8.739 -6.445 1.00 0.00 C ATOM 494 CG ASP A 37 -14.859 -8.040 -7.383 1.00 0.00 C ATOM 495 OD1 ASP A 37 -13.838 -8.657 -7.753 1.00 0.00 O ATOM 496 OD2 ASP A 37 -15.126 -6.877 -7.749 1.00 0.00 O ATOM 0 H ASP A 37 -16.955 -10.141 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.224 -9.939 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.398 -9.477 -7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.534 -8.012 -6.052 1.00 0.00 H new ATOM 501 N VAL A 38 -13.494 -7.811 -4.471 1.00 0.00 N ATOM 502 CA VAL A 38 -12.957 -6.804 -3.564 1.00 0.00 C ATOM 503 C VAL A 38 -13.653 -5.461 -3.759 1.00 0.00 C ATOM 504 O VAL A 38 -13.437 -4.778 -4.761 1.00 0.00 O ATOM 505 CB VAL A 38 -11.441 -6.618 -3.763 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.869 -5.713 -2.683 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.736 -7.965 -3.770 1.00 0.00 C ATOM 0 H VAL A 38 -12.895 -8.021 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.141 -7.162 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.274 -6.142 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.797 -5.593 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.354 -4.738 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.045 -6.159 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.666 -7.815 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.909 -8.471 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.127 -8.576 -4.583 1.00 0.00 H new ATOM 517 N THR A 39 -14.490 -5.088 -2.797 1.00 0.00 N ATOM 518 CA THR A 39 -15.219 -3.827 -2.863 1.00 0.00 C ATOM 519 C THR A 39 -14.281 -2.666 -3.172 1.00 0.00 C ATOM 520 O THR A 39 -14.412 -2.007 -4.202 1.00 0.00 O ATOM 521 CB THR A 39 -15.961 -3.538 -1.545 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.066 -3.682 -0.437 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.145 -4.476 -1.373 1.00 0.00 C ATOM 0 H THR A 39 -14.680 -5.642 -1.962 1.00 0.00 H new ATOM 0 HA THR A 39 -15.948 -3.924 -3.667 1.00 0.00 H new ATOM 0 HB THR A 39 -16.332 -2.514 -1.580 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.523 -4.488 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.653 -4.252 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.839 -4.342 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.793 -5.507 -1.358 1.00 0.00 H new ATOM 531 N GLU A 40 -13.334 -2.422 -2.271 1.00 0.00 N ATOM 532 CA GLU A 40 -12.373 -1.338 -2.449 1.00 0.00 C ATOM 533 C GLU A 40 -11.016 -1.713 -1.863 1.00 0.00 C ATOM 534 O GLU A 40 -10.871 -2.751 -1.216 1.00 0.00 O ATOM 535 CB GLU A 40 -12.890 -0.057 -1.791 1.00 0.00 C ATOM 536 CG GLU A 40 -12.893 -0.111 -0.272 1.00 0.00 C ATOM 537 CD GLU A 40 -11.523 0.147 0.324 1.00 0.00 C ATOM 538 OE1 GLU A 40 -10.677 0.749 -0.369 1.00 0.00 O ATOM 539 OE2 GLU A 40 -11.297 -0.254 1.486 1.00 0.00 O ATOM 0 H GLU A 40 -13.211 -2.959 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.251 -1.165 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.274 0.782 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.904 0.138 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.597 0.627 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.248 -1.089 0.052 1.00 0.00 H new ATOM 546 N TYR A 41 -10.022 -0.862 -2.093 1.00 0.00 N ATOM 547 CA TYR A 41 -8.676 -1.104 -1.591 1.00 0.00 C ATOM 548 C TYR A 41 -8.175 0.085 -0.777 1.00 0.00 C ATOM 549 O TYR A 41 -7.993 1.182 -1.307 1.00 0.00 O ATOM 550 CB TYR A 41 -7.719 -1.381 -2.751 1.00 0.00 C ATOM 551 CG TYR A 41 -8.156 -2.525 -3.637 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.314 -2.436 -4.400 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.412 -3.697 -3.711 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.718 -3.480 -5.209 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.808 -4.745 -4.519 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.962 -4.631 -5.267 1.00 0.00 C ATOM 557 OH TYR A 41 -9.360 -5.674 -6.072 1.00 0.00 O ATOM 0 H TYR A 41 -10.124 0.002 -2.625 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.711 -1.978 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.625 -0.479 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.730 -1.601 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.908 -1.535 -4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.509 -3.790 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.622 -3.395 -5.793 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.218 -5.648 -4.565 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.251 -5.421 -7.013 1.00 0.00 H new ATOM 567 N ARG A 42 -7.953 -0.140 0.513 1.00 0.00 N ATOM 568 CA ARG A 42 -7.475 0.912 1.402 1.00 0.00 C ATOM 569 C ARG A 42 -5.983 0.752 1.679 1.00 0.00 C ATOM 570 O ARG A 42 -5.562 -0.193 2.348 1.00 0.00 O ATOM 571 CB ARG A 42 -8.254 0.892 2.718 1.00 0.00 C ATOM 572 CG ARG A 42 -9.504 1.756 2.700 1.00 0.00 C ATOM 573 CD ARG A 42 -10.429 1.424 3.860 1.00 0.00 C ATOM 574 NE ARG A 42 -11.643 2.234 3.842 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.591 2.159 4.771 1.00 0.00 C ATOM 576 NH1 ARG A 42 -12.463 1.316 5.786 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.668 2.930 4.684 1.00 0.00 N ATOM 0 H ARG A 42 -8.097 -1.042 0.967 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.635 1.871 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.536 -0.135 2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.601 1.230 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.221 2.808 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.034 1.612 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.697 0.368 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.902 1.582 4.801 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.771 2.894 3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.636 0.723 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.192 1.260 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.768 3.580 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.395 2.872 5.397 1.00 0.00 H new ATOM 591 N LEU A 43 -5.187 1.681 1.161 1.00 0.00 N ATOM 592 CA LEU A 43 -3.742 1.644 1.351 1.00 0.00 C ATOM 593 C LEU A 43 -3.323 2.537 2.515 1.00 0.00 C ATOM 594 O LEU A 43 -3.590 3.738 2.515 1.00 0.00 O ATOM 595 CB LEU A 43 -3.027 2.084 0.073 1.00 0.00 C ATOM 596 CG LEU A 43 -1.500 2.140 0.142 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.908 0.746 0.000 1.00 0.00 C ATOM 598 CD2 LEU A 43 -0.951 3.066 -0.933 1.00 0.00 C ATOM 0 H LEU A 43 -5.519 2.470 0.606 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.458 0.618 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.309 1.403 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.395 3.072 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.214 2.537 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.179 0.805 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.275 0.111 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.203 0.321 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.137 3.093 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.247 2.699 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.349 4.070 -0.786 1.00 0.00 H new ATOM 610 N GLU A 44 -2.663 1.942 3.504 1.00 0.00 N ATOM 611 CA GLU A 44 -2.206 2.684 4.672 1.00 0.00 C ATOM 612 C GLU A 44 -0.728 3.037 4.549 1.00 0.00 C ATOM 613 O GLU A 44 0.114 2.164 4.339 1.00 0.00 O ATOM 614 CB GLU A 44 -2.442 1.870 5.947 1.00 0.00 C ATOM 615 CG GLU A 44 -3.791 2.132 6.596 1.00 0.00 C ATOM 616 CD GLU A 44 -3.798 1.810 8.077 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.606 0.628 8.428 1.00 0.00 O ATOM 618 OE2 GLU A 44 -3.995 2.741 8.886 1.00 0.00 O ATOM 0 H GLU A 44 -2.433 0.948 3.519 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.780 3.609 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.362 0.809 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.653 2.097 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.061 3.178 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.553 1.535 6.095 1.00 0.00 H new ATOM 625 N TRP A 45 -0.420 4.323 4.679 1.00 0.00 N ATOM 626 CA TRP A 45 0.958 4.793 4.581 1.00 0.00 C ATOM 627 C TRP A 45 1.282 5.767 5.708 1.00 0.00 C ATOM 628 O TRP A 45 0.556 6.733 5.934 1.00 0.00 O ATOM 629 CB TRP A 45 1.194 5.464 3.226 1.00 0.00 C ATOM 630 CG TRP A 45 2.579 6.015 3.071 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.125 7.063 3.757 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.591 5.551 2.171 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.416 7.277 3.338 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.727 6.363 2.367 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.650 4.528 1.223 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.904 6.181 1.646 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.820 4.348 0.508 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.934 5.171 0.723 1.00 0.00 C ATOM 0 H TRP A 45 -1.105 5.058 4.852 1.00 0.00 H new ATOM 0 HA TRP A 45 1.618 3.930 4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.007 4.740 2.433 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.473 6.271 3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.617 7.638 4.517 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.042 8.000 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.797 3.888 1.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.763 6.815 1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.876 3.560 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.834 5.005 0.149 1.00 0.00 H new ATOM 649 N GLY A 46 2.380 5.506 6.413 1.00 0.00 N ATOM 650 CA GLY A 46 2.781 6.370 7.507 1.00 0.00 C ATOM 651 C GLY A 46 4.281 6.373 7.725 1.00 0.00 C ATOM 652 O GLY A 46 4.910 5.316 7.775 1.00 0.00 O ATOM 0 H GLY A 46 2.998 4.712 6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.445 7.387 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.285 6.046 8.422 1.00 0.00 H new ATOM 656 N GLY A 47 4.858 7.564 7.853 1.00 0.00 N ATOM 657 CA GLY A 47 6.289 7.677 8.062 1.00 0.00 C ATOM 658 C GLY A 47 6.826 6.605 8.990 1.00 0.00 C ATOM 659 O GLY A 47 7.634 5.770 8.585 1.00 0.00 O ATOM 0 H GLY A 47 4.359 8.453 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.800 7.611 7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.516 8.659 8.477 1.00 0.00 H new ATOM 663 N VAL A 48 6.376 6.628 10.241 1.00 0.00 N ATOM 664 CA VAL A 48 6.816 5.652 11.230 1.00 0.00 C ATOM 665 C VAL A 48 5.797 4.528 11.384 1.00 0.00 C ATOM 666 O VAL A 48 4.614 4.778 11.611 1.00 0.00 O ATOM 667 CB VAL A 48 7.051 6.309 12.602 1.00 0.00 C ATOM 668 CG1 VAL A 48 7.059 5.259 13.703 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.352 7.099 12.598 1.00 0.00 C ATOM 0 H VAL A 48 5.707 7.312 10.593 1.00 0.00 H new ATOM 0 HA VAL A 48 7.757 5.238 10.869 1.00 0.00 H new ATOM 0 HB VAL A 48 6.232 7.001 12.799 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.226 5.742 14.666 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.100 4.741 13.719 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.856 4.540 13.514 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.503 7.557 13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.184 6.429 12.379 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.303 7.877 11.837 1.00 0.00 H new ATOM 679 N GLU A 49 6.265 3.290 11.260 1.00 0.00 N ATOM 680 CA GLU A 49 5.393 2.128 11.386 1.00 0.00 C ATOM 681 C GLU A 49 4.567 2.205 12.667 1.00 0.00 C ATOM 682 O GLU A 49 3.419 1.764 12.705 1.00 0.00 O ATOM 683 CB GLU A 49 6.218 0.840 11.375 1.00 0.00 C ATOM 684 CG GLU A 49 7.083 0.660 12.612 1.00 0.00 C ATOM 685 CD GLU A 49 6.348 -0.033 13.742 1.00 0.00 C ATOM 686 OE1 GLU A 49 5.832 -1.148 13.518 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.290 0.539 14.850 1.00 0.00 O ATOM 0 H GLU A 49 7.242 3.066 11.073 1.00 0.00 H new ATOM 0 HA GLU A 49 4.712 2.122 10.535 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.544 -0.012 11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.857 0.835 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.968 0.081 12.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.430 1.635 12.953 1.00 0.00 H new ATOM 694 N GLY A 50 5.160 2.768 13.715 1.00 0.00 N ATOM 695 CA GLY A 50 4.465 2.892 14.983 1.00 0.00 C ATOM 696 C GLY A 50 3.113 3.561 14.841 1.00 0.00 C ATOM 697 O GLY A 50 2.150 3.179 15.506 1.00 0.00 O ATOM 0 H GLY A 50 6.110 3.141 13.709 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.333 1.902 15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.080 3.466 15.676 1.00 0.00 H new ATOM 701 N SER A 51 3.040 4.565 13.972 1.00 0.00 N ATOM 702 CA SER A 51 1.797 5.293 13.748 1.00 0.00 C ATOM 703 C SER A 51 1.514 5.440 12.256 1.00 0.00 C ATOM 704 O SER A 51 2.087 6.299 11.587 1.00 0.00 O ATOM 705 CB SER A 51 1.864 6.673 14.404 1.00 0.00 C ATOM 706 OG SER A 51 0.863 7.533 13.887 1.00 0.00 O ATOM 0 H SER A 51 3.827 4.892 13.412 1.00 0.00 H new ATOM 0 HA SER A 51 0.985 4.723 14.199 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.740 6.573 15.482 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.847 7.112 14.235 1.00 0.00 H new ATOM 0 HG SER A 51 0.926 8.408 14.324 1.00 0.00 H new ATOM 712 N MET A 52 0.626 4.594 11.743 1.00 0.00 N ATOM 713 CA MET A 52 0.266 4.630 10.329 1.00 0.00 C ATOM 714 C MET A 52 -1.234 4.843 10.157 1.00 0.00 C ATOM 715 O MET A 52 -2.023 4.506 11.038 1.00 0.00 O ATOM 716 CB MET A 52 0.691 3.333 9.640 1.00 0.00 C ATOM 717 CG MET A 52 2.183 3.257 9.352 1.00 0.00 C ATOM 718 SD MET A 52 2.719 1.599 8.895 1.00 0.00 S ATOM 719 CE MET A 52 1.867 1.384 7.335 1.00 0.00 C ATOM 0 H MET A 52 0.143 3.876 12.284 1.00 0.00 H new ATOM 0 HA MET A 52 0.790 5.467 9.867 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.407 2.488 10.267 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.143 3.233 8.703 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.429 3.949 8.547 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.736 3.583 10.233 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.208 0.465 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.793 1.324 7.512 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.080 2.232 6.684 1.00 0.00 H new ATOM 729 N GLN A 53 -1.620 5.406 9.015 1.00 0.00 N ATOM 730 CA GLN A 53 -3.025 5.665 8.728 1.00 0.00 C ATOM 731 C GLN A 53 -3.307 5.549 7.234 1.00 0.00 C ATOM 732 O GLN A 53 -2.387 5.392 6.431 1.00 0.00 O ATOM 733 CB GLN A 53 -3.422 7.055 9.228 1.00 0.00 C ATOM 734 CG GLN A 53 -2.487 8.159 8.761 1.00 0.00 C ATOM 735 CD GLN A 53 -3.091 9.540 8.916 1.00 0.00 C ATOM 736 OE1 GLN A 53 -2.600 10.362 9.692 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.163 9.805 8.178 1.00 0.00 N ATOM 0 H GLN A 53 -0.979 5.691 8.275 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.620 4.915 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.433 7.279 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.446 7.047 10.318 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.558 8.107 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.231 7.994 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.537 9.095 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.612 10.718 8.241 1.00 0.00 H new ATOM 746 N ILE A 54 -4.581 5.627 6.869 1.00 0.00 N ATOM 747 CA ILE A 54 -4.983 5.532 5.471 1.00 0.00 C ATOM 748 C ILE A 54 -4.809 6.867 4.757 1.00 0.00 C ATOM 749 O ILE A 54 -5.098 7.926 5.318 1.00 0.00 O ATOM 750 CB ILE A 54 -6.448 5.077 5.336 1.00 0.00 C ATOM 751 CG1 ILE A 54 -6.611 3.646 5.853 1.00 0.00 C ATOM 752 CG2 ILE A 54 -6.902 5.177 3.887 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.889 2.980 5.396 1.00 0.00 C ATOM 0 H ILE A 54 -5.354 5.756 7.522 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.336 4.788 5.007 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.074 5.734 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.761 3.049 5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.586 3.657 6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.939 4.852 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.819 6.210 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.274 4.540 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.937 1.969 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.745 3.554 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.907 2.937 4.307 1.00 0.00 H new ATOM 765 N CYS A 55 -4.337 6.811 3.516 1.00 0.00 N ATOM 766 CA CYS A 55 -4.125 8.017 2.724 1.00 0.00 C ATOM 767 C CYS A 55 -4.867 7.931 1.394 1.00 0.00 C ATOM 768 O CYS A 55 -5.170 8.951 0.774 1.00 0.00 O ATOM 769 CB CYS A 55 -2.631 8.234 2.476 1.00 0.00 C ATOM 770 SG CYS A 55 -1.776 9.091 3.818 1.00 0.00 S ATOM 0 H CYS A 55 -4.094 5.944 3.037 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.519 8.864 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.156 7.266 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.506 8.806 1.556 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.519 9.225 3.516 1.00 0.00 H new ATOM 776 N TYR A 56 -5.154 6.709 0.962 1.00 0.00 N ATOM 777 CA TYR A 56 -5.857 6.490 -0.297 1.00 0.00 C ATOM 778 C TYR A 56 -6.897 5.382 -0.155 1.00 0.00 C ATOM 779 O TYR A 56 -6.612 4.315 0.391 1.00 0.00 O ATOM 780 CB TYR A 56 -4.864 6.132 -1.404 1.00 0.00 C ATOM 781 CG TYR A 56 -5.522 5.803 -2.725 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.135 4.573 -2.931 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.532 6.722 -3.768 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.737 4.267 -4.136 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.132 6.425 -4.976 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.733 5.197 -5.155 1.00 0.00 C ATOM 787 OH TYR A 56 -7.333 4.896 -6.357 1.00 0.00 O ATOM 0 H TYR A 56 -4.911 5.855 1.464 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.370 7.414 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.177 6.966 -1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.267 5.279 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.141 3.843 -2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.062 7.685 -3.631 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.208 3.306 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.130 7.151 -5.776 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.243 5.658 -6.967 1.00 0.00 H new ATOM 797 N CYS A 57 -8.100 5.643 -0.649 1.00 0.00 N ATOM 798 CA CYS A 57 -9.184 4.669 -0.578 1.00 0.00 C ATOM 799 C CYS A 57 -9.948 4.608 -1.897 1.00 0.00 C ATOM 800 O CYS A 57 -10.256 5.637 -2.497 1.00 0.00 O ATOM 801 CB CYS A 57 -10.140 5.022 0.562 1.00 0.00 C ATOM 802 SG CYS A 57 -11.499 6.112 0.077 1.00 0.00 S ATOM 0 H CYS A 57 -8.351 6.521 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.747 3.689 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.556 4.101 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.574 5.499 1.362 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.461 6.308 -1.208 1.00 0.00 H new ATOM 808 N GLY A 58 -10.249 3.392 -2.345 1.00 0.00 N ATOM 809 CA GLY A 58 -10.972 3.219 -3.591 1.00 0.00 C ATOM 810 C GLY A 58 -10.595 1.937 -4.307 1.00 0.00 C ATOM 811 O GLY A 58 -9.685 1.216 -3.896 1.00 0.00 O ATOM 0 H GLY A 58 -10.005 2.525 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.043 3.217 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.773 4.068 -4.244 1.00 0.00 H new ATOM 815 N PRO A 59 -11.307 1.635 -5.403 1.00 0.00 N ATOM 816 CA PRO A 59 -11.062 0.429 -6.198 1.00 0.00 C ATOM 817 C PRO A 59 -9.740 0.494 -6.956 1.00 0.00 C ATOM 818 O PRO A 59 -9.251 -0.516 -7.459 1.00 0.00 O ATOM 819 CB PRO A 59 -12.238 0.405 -7.178 1.00 0.00 C ATOM 820 CG PRO A 59 -12.663 1.828 -7.294 1.00 0.00 C ATOM 821 CD PRO A 59 -12.406 2.448 -5.949 1.00 0.00 C ATOM 0 HA PRO A 59 -10.990 -0.462 -5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.939 0.001 -8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.049 -0.222 -6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.100 2.341 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.717 1.900 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.124 3.497 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.290 2.408 -5.313 1.00 0.00 H new ATOM 829 N GLY A 60 -9.164 1.690 -7.032 1.00 0.00 N ATOM 830 CA GLY A 60 -7.903 1.864 -7.730 1.00 0.00 C ATOM 831 C GLY A 60 -6.900 0.779 -7.393 1.00 0.00 C ATOM 832 O GLY A 60 -7.080 0.034 -6.429 1.00 0.00 O ATOM 0 H GLY A 60 -9.548 2.542 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.084 1.867 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.481 2.836 -7.475 1.00 0.00 H new ATOM 836 N LEU A 61 -5.841 0.686 -8.189 1.00 0.00 N ATOM 837 CA LEU A 61 -4.805 -0.318 -7.972 1.00 0.00 C ATOM 838 C LEU A 61 -3.428 0.330 -7.889 1.00 0.00 C ATOM 839 O LEU A 61 -2.518 -0.200 -7.251 1.00 0.00 O ATOM 840 CB LEU A 61 -4.828 -1.353 -9.097 1.00 0.00 C ATOM 841 CG LEU A 61 -6.112 -2.172 -9.232 1.00 0.00 C ATOM 842 CD1 LEU A 61 -6.059 -3.048 -10.473 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.337 -3.019 -7.988 1.00 0.00 C ATOM 0 H LEU A 61 -5.677 1.294 -8.991 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.009 -0.816 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.649 -0.838 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.996 -2.041 -8.947 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.950 -1.483 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.981 -3.623 -10.552 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.946 -2.420 -11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.211 -3.730 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.255 -3.595 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.496 -3.699 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.421 -2.370 -7.116 1.00 0.00 H new ATOM 855 N SER A 62 -3.280 1.481 -8.537 1.00 0.00 N ATOM 856 CA SER A 62 -2.013 2.202 -8.539 1.00 0.00 C ATOM 857 C SER A 62 -2.193 3.618 -8.001 1.00 0.00 C ATOM 858 O SER A 62 -3.192 4.279 -8.284 1.00 0.00 O ATOM 859 CB SER A 62 -1.431 2.251 -9.953 1.00 0.00 C ATOM 860 OG SER A 62 -2.230 3.052 -10.805 1.00 0.00 O ATOM 0 H SER A 62 -4.023 1.935 -9.068 1.00 0.00 H new ATOM 0 HA SER A 62 -1.320 1.670 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.417 2.650 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.363 1.241 -10.357 1.00 0.00 H new ATOM 0 HG SER A 62 -1.836 3.069 -11.702 1.00 0.00 H new ATOM 866 N TYR A 63 -1.218 4.077 -7.224 1.00 0.00 N ATOM 867 CA TYR A 63 -1.268 5.414 -6.643 1.00 0.00 C ATOM 868 C TYR A 63 0.126 6.033 -6.579 1.00 0.00 C ATOM 869 O TYR A 63 1.124 5.326 -6.454 1.00 0.00 O ATOM 870 CB TYR A 63 -1.879 5.362 -5.243 1.00 0.00 C ATOM 871 CG TYR A 63 -1.873 6.695 -4.529 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.504 7.803 -5.081 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.236 6.847 -3.304 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.499 9.024 -4.433 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.228 8.063 -2.648 1.00 0.00 C ATOM 876 CZ TYR A 63 -1.861 9.148 -3.217 1.00 0.00 C ATOM 877 OH TYR A 63 -1.854 10.361 -2.568 1.00 0.00 O ATOM 0 H TYR A 63 -0.383 3.543 -6.982 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.894 6.037 -7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.906 5.004 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.330 4.636 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.007 7.709 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.738 6.000 -2.856 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.992 9.876 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.729 8.163 -1.695 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.363 10.278 -1.724 1.00 0.00 H new ATOM 887 N GLU A 64 0.181 7.358 -6.667 1.00 0.00 N ATOM 888 CA GLU A 64 1.451 8.073 -6.619 1.00 0.00 C ATOM 889 C GLU A 64 1.511 8.997 -5.406 1.00 0.00 C ATOM 890 O GLU A 64 0.664 9.874 -5.238 1.00 0.00 O ATOM 891 CB GLU A 64 1.654 8.884 -7.900 1.00 0.00 C ATOM 892 CG GLU A 64 3.017 9.549 -7.991 1.00 0.00 C ATOM 893 CD GLU A 64 3.475 9.749 -9.423 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.888 10.604 -10.120 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.420 9.052 -9.846 1.00 0.00 O ATOM 0 H GLU A 64 -0.638 7.957 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 64 2.249 7.336 -6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.521 8.228 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.881 9.650 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.980 10.515 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.750 8.941 -7.461 1.00 0.00 H new ATOM 902 N ILE A 65 2.517 8.791 -4.562 1.00 0.00 N ATOM 903 CA ILE A 65 2.687 9.604 -3.365 1.00 0.00 C ATOM 904 C ILE A 65 3.771 10.658 -3.565 1.00 0.00 C ATOM 905 O ILE A 65 4.788 10.403 -4.209 1.00 0.00 O ATOM 906 CB ILE A 65 3.049 8.739 -2.143 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.845 7.900 -1.711 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.529 9.617 -0.996 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.214 6.710 -0.854 1.00 0.00 C ATOM 0 H ILE A 65 3.226 8.068 -4.686 1.00 0.00 H new ATOM 0 HA ILE A 65 1.732 10.097 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 65 3.858 8.064 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.150 8.533 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.320 7.549 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.781 8.991 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.411 10.175 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.739 10.314 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.311 6.161 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.885 6.055 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.713 7.055 0.052 1.00 0.00 H new ATOM 921 N LYS A 66 3.547 11.844 -3.008 1.00 0.00 N ATOM 922 CA LYS A 66 4.505 12.936 -3.123 1.00 0.00 C ATOM 923 C LYS A 66 4.572 13.738 -1.827 1.00 0.00 C ATOM 924 O LYS A 66 3.827 13.476 -0.883 1.00 0.00 O ATOM 925 CB LYS A 66 4.124 13.857 -4.284 1.00 0.00 C ATOM 926 CG LYS A 66 4.395 13.254 -5.652 1.00 0.00 C ATOM 927 CD LYS A 66 4.385 14.315 -6.740 1.00 0.00 C ATOM 928 CE LYS A 66 5.714 15.049 -6.814 1.00 0.00 C ATOM 929 NZ LYS A 66 5.660 16.198 -7.760 1.00 0.00 N ATOM 0 H LYS A 66 2.710 12.073 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 66 5.487 12.505 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.065 14.104 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.677 14.792 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.361 12.749 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.642 12.498 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.171 13.849 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.584 15.029 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.987 15.408 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.495 14.356 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.585 16.673 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.425 15.853 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.932 16.872 -7.447 1.00 0.00 H new ATOM 943 N GLY A 67 5.471 14.718 -1.788 1.00 0.00 N ATOM 944 CA GLY A 67 5.617 15.544 -0.603 1.00 0.00 C ATOM 945 C GLY A 67 6.194 14.777 0.570 1.00 0.00 C ATOM 946 O GLY A 67 5.685 14.864 1.688 1.00 0.00 O ATOM 0 H GLY A 67 6.100 14.954 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.263 16.392 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.645 15.950 -0.325 1.00 0.00 H new ATOM 950 N LEU A 68 7.257 14.022 0.315 1.00 0.00 N ATOM 951 CA LEU A 68 7.903 13.235 1.360 1.00 0.00 C ATOM 952 C LEU A 68 9.235 13.857 1.767 1.00 0.00 C ATOM 953 O LEU A 68 9.619 14.912 1.261 1.00 0.00 O ATOM 954 CB LEU A 68 8.125 11.799 0.880 1.00 0.00 C ATOM 955 CG LEU A 68 6.891 11.073 0.344 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.284 9.749 -0.292 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.877 10.851 1.457 1.00 0.00 C ATOM 0 H LEU A 68 7.689 13.938 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 68 7.247 13.225 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.883 11.812 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.532 11.219 1.708 1.00 0.00 H new ATOM 0 HG LEU A 68 6.430 11.698 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.392 9.247 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.972 9.932 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.769 9.118 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.005 10.333 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.328 10.248 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.571 11.813 1.867 1.00 0.00 H new ATOM 969 N SER A 69 9.936 13.198 2.683 1.00 0.00 N ATOM 970 CA SER A 69 11.224 13.687 3.160 1.00 0.00 C ATOM 971 C SER A 69 12.338 12.702 2.822 1.00 0.00 C ATOM 972 O SER A 69 12.166 11.484 2.888 1.00 0.00 O ATOM 973 CB SER A 69 11.177 13.925 4.670 1.00 0.00 C ATOM 974 OG SER A 69 12.431 14.370 5.157 1.00 0.00 O ATOM 0 H SER A 69 9.633 12.323 3.110 1.00 0.00 H new ATOM 0 HA SER A 69 11.434 14.632 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.411 14.665 4.901 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.893 13.003 5.178 1.00 0.00 H new ATOM 0 HG SER A 69 12.373 14.516 6.124 1.00 0.00 H new ATOM 980 N PRO A 70 13.510 13.239 2.453 1.00 0.00 N ATOM 981 CA PRO A 70 14.678 12.425 2.099 1.00 0.00 C ATOM 982 C PRO A 70 15.274 11.711 3.306 1.00 0.00 C ATOM 983 O PRO A 70 15.085 12.134 4.446 1.00 0.00 O ATOM 984 CB PRO A 70 15.668 13.450 1.540 1.00 0.00 C ATOM 985 CG PRO A 70 15.280 14.739 2.178 1.00 0.00 C ATOM 986 CD PRO A 70 13.787 14.682 2.352 1.00 0.00 C ATOM 0 HA PRO A 70 14.424 11.631 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.696 13.181 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.604 13.511 0.454 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.780 14.865 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.568 15.585 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.466 15.216 3.246 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.266 15.133 1.507 1.00 0.00 H new ATOM 994 N ALA A 71 15.996 10.625 3.049 1.00 0.00 N ATOM 995 CA ALA A 71 16.623 9.854 4.114 1.00 0.00 C ATOM 996 C ALA A 71 15.660 9.643 5.278 1.00 0.00 C ATOM 997 O ALA A 71 15.983 9.944 6.428 1.00 0.00 O ATOM 998 CB ALA A 71 17.890 10.548 4.594 1.00 0.00 C ATOM 0 H ALA A 71 16.161 10.260 2.111 1.00 0.00 H new ATOM 0 HA ALA A 71 16.888 8.876 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.348 9.960 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.590 10.642 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.641 11.539 4.972 1.00 0.00 H new ATOM 1004 N THR A 72 14.475 9.123 4.973 1.00 0.00 N ATOM 1005 CA THR A 72 13.465 8.874 5.994 1.00 0.00 C ATOM 1006 C THR A 72 12.795 7.521 5.784 1.00 0.00 C ATOM 1007 O THR A 72 12.401 7.175 4.670 1.00 0.00 O ATOM 1008 CB THR A 72 12.386 9.973 5.996 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.995 11.258 6.164 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.375 9.737 7.108 1.00 0.00 C ATOM 0 H THR A 72 14.191 8.866 4.027 1.00 0.00 H new ATOM 0 HA THR A 72 13.979 8.878 6.955 1.00 0.00 H new ATOM 0 HB THR A 72 11.865 9.941 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.599 11.435 5.413 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.623 10.526 7.089 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.892 8.771 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.885 9.745 8.071 1.00 0.00 H new ATOM 1018 N THR A 73 12.667 6.756 6.864 1.00 0.00 N ATOM 1019 CA THR A 73 12.044 5.440 6.800 1.00 0.00 C ATOM 1020 C THR A 73 10.536 5.553 6.613 1.00 0.00 C ATOM 1021 O THR A 73 9.878 6.360 7.270 1.00 0.00 O ATOM 1022 CB THR A 73 12.332 4.619 8.071 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.743 4.574 8.316 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.792 3.203 7.935 1.00 0.00 C ATOM 0 H THR A 73 12.987 7.026 7.794 1.00 0.00 H new ATOM 0 HA THR A 73 12.476 4.928 5.940 1.00 0.00 H new ATOM 0 HB THR A 73 11.832 5.103 8.910 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.918 4.052 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.007 2.643 8.845 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.714 3.238 7.777 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.267 2.712 7.086 1.00 0.00 H new ATOM 1032 N TYR A 74 9.993 4.740 5.714 1.00 0.00 N ATOM 1033 CA TYR A 74 8.561 4.751 5.439 1.00 0.00 C ATOM 1034 C TYR A 74 8.003 3.332 5.405 1.00 0.00 C ATOM 1035 O TYR A 74 8.753 2.358 5.331 1.00 0.00 O ATOM 1036 CB TYR A 74 8.281 5.453 4.110 1.00 0.00 C ATOM 1037 CG TYR A 74 8.317 6.961 4.202 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.200 7.679 4.615 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.467 7.670 3.878 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.229 9.057 4.700 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.505 9.049 3.962 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.383 9.737 4.373 1.00 0.00 C ATOM 1043 OH TYR A 74 8.417 11.111 4.457 1.00 0.00 O ATOM 0 H TYR A 74 10.523 4.065 5.163 1.00 0.00 H new ATOM 0 HA TYR A 74 8.066 5.298 6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.015 5.125 3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.302 5.143 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.295 7.150 4.874 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.347 7.134 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.352 9.599 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.408 9.584 3.707 1.00 0.00 H new ATOM 0 HH TYR A 74 9.207 11.388 4.966 1.00 0.00 H new ATOM 1053 N TYR A 75 6.680 3.223 5.460 1.00 0.00 N ATOM 1054 CA TYR A 75 6.018 1.923 5.437 1.00 0.00 C ATOM 1055 C TYR A 75 4.665 2.013 4.739 1.00 0.00 C ATOM 1056 O TYR A 75 4.101 3.098 4.591 1.00 0.00 O ATOM 1057 CB TYR A 75 5.836 1.396 6.862 1.00 0.00 C ATOM 1058 CG TYR A 75 7.128 1.302 7.642 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.960 0.197 7.516 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.515 2.318 8.507 1.00 0.00 C ATOM 1061 CE1 TYR A 75 9.140 0.107 8.228 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.694 2.238 9.222 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.503 1.129 9.079 1.00 0.00 C ATOM 1064 OH TYR A 75 10.678 1.044 9.790 1.00 0.00 O ATOM 0 H TYR A 75 6.045 4.019 5.521 1.00 0.00 H new ATOM 0 HA TYR A 75 6.649 1.232 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.145 2.048 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.374 0.410 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.679 -0.606 6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.883 3.186 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.775 -0.760 8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.981 3.038 9.889 1.00 0.00 H new ATOM 0 HH TYR A 75 11.331 0.519 9.282 1.00 0.00 H new ATOM 1074 N CYS A 76 4.150 0.865 4.312 1.00 0.00 N ATOM 1075 CA CYS A 76 2.863 0.812 3.629 1.00 0.00 C ATOM 1076 C CYS A 76 2.245 -0.578 3.738 1.00 0.00 C ATOM 1077 O CYS A 76 2.957 -1.583 3.775 1.00 0.00 O ATOM 1078 CB CYS A 76 3.027 1.195 2.157 1.00 0.00 C ATOM 1079 SG CYS A 76 3.947 -0.014 1.177 1.00 0.00 S ATOM 0 H CYS A 76 4.604 -0.041 4.427 1.00 0.00 H new ATOM 0 HA CYS A 76 2.195 1.526 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.039 1.329 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.536 2.157 2.098 1.00 0.00 H new ATOM 0 HG CYS A 76 3.774 -1.201 1.678 1.00 0.00 H new ATOM 1085 N ARG A 77 0.919 -0.629 3.792 1.00 0.00 N ATOM 1086 CA ARG A 77 0.206 -1.896 3.901 1.00 0.00 C ATOM 1087 C ARG A 77 -1.103 -1.852 3.117 1.00 0.00 C ATOM 1088 O ARG A 77 -1.910 -0.937 3.285 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.077 -2.222 5.368 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.937 -1.183 6.069 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.180 -1.550 7.524 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.361 -0.370 8.364 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.193 -0.372 9.682 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.844 -1.488 10.306 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.375 0.743 10.378 1.00 0.00 N ATOM 0 H ARG A 77 0.316 0.193 3.762 1.00 0.00 H new ATOM 0 HA ARG A 77 0.838 -2.677 3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.573 -3.191 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.870 -2.316 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.450 -0.209 6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.892 -1.091 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.064 -2.184 7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.338 -2.134 7.896 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.631 0.505 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.704 -2.347 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.715 -1.488 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.644 1.604 9.901 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.246 0.740 11.390 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.306 -2.847 2.260 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.517 -2.924 1.451 1.00 0.00 C ATOM 1111 C VAL A 78 -3.281 -4.214 1.725 1.00 0.00 C ATOM 1112 O VAL A 78 -2.688 -5.238 2.066 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.194 -2.841 -0.053 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.402 -4.062 -0.497 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.471 -2.700 -0.865 1.00 0.00 C ATOM 0 H VAL A 78 -0.648 -3.611 2.108 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.137 -2.072 1.729 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.581 -1.957 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.183 -3.986 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.468 -4.113 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.987 -4.963 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.224 -2.643 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.112 -3.564 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.995 -1.792 -0.565 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.600 -4.158 1.573 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.446 -5.323 1.804 1.00 0.00 C ATOM 1127 C GLN A 79 -6.680 -5.287 0.910 1.00 0.00 C ATOM 1128 O GLN A 79 -7.008 -4.252 0.331 1.00 0.00 O ATOM 1129 CB GLN A 79 -5.868 -5.390 3.273 1.00 0.00 C ATOM 1130 CG GLN A 79 -6.931 -4.371 3.647 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.855 -4.866 4.743 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.722 -5.706 4.505 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -7.673 -4.347 5.951 1.00 0.00 N ATOM 0 H GLN A 79 -5.106 -3.318 1.291 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.868 -6.214 1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.243 -6.390 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.991 -5.236 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.447 -3.450 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.520 -4.126 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.941 -3.653 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.265 -4.643 6.727 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.360 -6.424 0.800 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.559 -6.521 -0.022 1.00 0.00 C ATOM 1144 C ALA A 80 -9.818 -6.500 0.837 1.00 0.00 C ATOM 1145 O ALA A 80 -9.971 -7.309 1.753 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.517 -7.785 -0.868 1.00 0.00 C ATOM 0 H ALA A 80 -7.100 -7.291 1.270 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.587 -5.654 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.419 -7.845 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.642 -7.760 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.461 -8.657 -0.217 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.717 -5.569 0.539 1.00 0.00 N ATOM 1153 CA LEU A 81 -11.964 -5.440 1.285 1.00 0.00 C ATOM 1154 C LEU A 81 -13.108 -6.137 0.556 1.00 0.00 C ATOM 1155 O LEU A 81 -13.326 -5.916 -0.635 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.304 -3.965 1.500 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.588 -3.273 2.660 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.276 -2.664 2.191 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.482 -2.208 3.279 1.00 0.00 C ATOM 0 H LEU A 81 -10.606 -4.891 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.830 -5.919 2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.075 -3.423 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.379 -3.880 1.660 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.365 -4.020 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.781 -2.176 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.631 -3.449 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.474 -1.930 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.956 -1.726 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.736 -1.463 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.395 -2.672 3.653 1.00 0.00 H new ATOM 1171 N SER A 82 -13.839 -6.979 1.280 1.00 0.00 N ATOM 1172 CA SER A 82 -14.961 -7.709 0.703 1.00 0.00 C ATOM 1173 C SER A 82 -16.264 -7.352 1.412 1.00 0.00 C ATOM 1174 O SER A 82 -16.290 -6.491 2.291 1.00 0.00 O ATOM 1175 CB SER A 82 -14.716 -9.216 0.792 1.00 0.00 C ATOM 1176 OG SER A 82 -14.833 -9.675 2.127 1.00 0.00 O ATOM 0 H SER A 82 -13.674 -7.172 2.268 1.00 0.00 H new ATOM 0 HA SER A 82 -15.048 -7.423 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.432 -9.742 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.722 -9.449 0.410 1.00 0.00 H new ATOM 0 HG SER A 82 -14.036 -9.414 2.634 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.345 -8.021 1.021 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.652 -7.776 1.618 1.00 0.00 C ATOM 1184 C VAL A 83 -18.897 -8.702 2.805 1.00 0.00 C ATOM 1185 O VAL A 83 -20.009 -8.783 3.324 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.784 -7.967 0.591 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.778 -6.838 -0.428 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.654 -9.317 -0.098 1.00 0.00 C ATOM 0 H VAL A 83 -17.341 -8.736 0.294 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.653 -6.741 1.961 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.737 -7.943 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.585 -6.991 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.922 -5.886 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.823 -6.827 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.461 -9.436 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.695 -9.372 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.712 -10.112 0.645 1.00 0.00 H new ATOM 1198 N VAL A 84 -17.848 -9.398 3.230 1.00 0.00 N ATOM 1199 CA VAL A 84 -17.947 -10.318 4.358 1.00 0.00 C ATOM 1200 C VAL A 84 -16.867 -10.033 5.395 1.00 0.00 C ATOM 1201 O VAL A 84 -17.052 -10.283 6.585 1.00 0.00 O ATOM 1202 CB VAL A 84 -17.829 -11.783 3.899 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -16.369 -12.183 3.755 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -18.551 -12.705 4.870 1.00 0.00 C ATOM 0 H VAL A 84 -16.920 -9.343 2.811 1.00 0.00 H new ATOM 0 HA VAL A 84 -18.928 -10.164 4.807 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.303 -11.879 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.307 -13.222 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.887 -11.542 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.865 -12.073 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.457 -13.736 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.108 -12.608 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -19.605 -12.432 4.915 1.00 0.00 H new ATOM 1214 N GLY A 85 -15.735 -9.508 4.934 1.00 0.00 N ATOM 1215 CA GLY A 85 -14.641 -9.198 5.836 1.00 0.00 C ATOM 1216 C GLY A 85 -13.500 -8.483 5.139 1.00 0.00 C ATOM 1217 O GLY A 85 -13.421 -8.475 3.911 1.00 0.00 O ATOM 0 H GLY A 85 -15.557 -9.292 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.011 -8.576 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.269 -10.121 6.282 1.00 0.00 H new ATOM 1221 N ALA A 86 -12.616 -7.877 5.924 1.00 0.00 N ATOM 1222 CA ALA A 86 -11.474 -7.155 5.376 1.00 0.00 C ATOM 1223 C ALA A 86 -10.220 -8.023 5.386 1.00 0.00 C ATOM 1224 O ALA A 86 -9.704 -8.372 6.446 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.237 -5.871 6.156 1.00 0.00 C ATOM 0 H ALA A 86 -12.669 -7.872 6.943 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.699 -6.900 4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.381 -5.343 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.122 -5.238 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.038 -6.111 7.200 1.00 0.00 H new ATOM 1231 N GLY A 87 -9.734 -8.366 4.197 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.544 -9.191 4.092 1.00 0.00 C ATOM 1233 C GLY A 87 -7.405 -8.676 4.949 1.00 0.00 C ATOM 1234 O GLY A 87 -7.391 -7.519 5.370 1.00 0.00 O ATOM 0 H GLY A 87 -10.143 -8.088 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.786 -10.212 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.223 -9.230 3.051 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.422 -9.548 5.220 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.257 -9.198 6.036 1.00 0.00 C ATOM 1240 C PRO A 88 -4.326 -8.219 5.328 1.00 0.00 C ATOM 1241 O PRO A 88 -4.304 -8.147 4.098 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.557 -10.542 6.250 1.00 0.00 C ATOM 1243 CG PRO A 88 -4.975 -11.376 5.088 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.374 -10.942 4.750 1.00 0.00 C ATOM 0 HA PRO A 88 -5.543 -8.699 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.474 -10.423 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.857 -10.999 7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.305 -11.229 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.945 -12.437 5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.569 -11.012 3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.119 -11.561 5.251 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.558 -7.468 6.110 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.625 -6.493 5.557 1.00 0.00 C ATOM 1254 C PHE A 89 -1.314 -7.163 5.154 1.00 0.00 C ATOM 1255 O PHE A 89 -0.643 -7.784 5.978 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.352 -5.383 6.573 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.308 -4.228 6.471 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.241 -3.350 5.400 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.272 -4.020 7.443 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.118 -2.287 5.303 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.152 -2.959 7.351 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.075 -2.092 6.279 1.00 0.00 C ATOM 0 H PHE A 89 -3.563 -7.516 7.129 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.079 -6.057 4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.405 -5.801 7.578 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.335 -5.016 6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.495 -3.499 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.337 -4.695 8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.055 -1.609 4.465 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.899 -2.808 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.762 -1.262 6.204 1.00 0.00 H new ATOM 1272 N SER A 90 -0.956 -7.032 3.881 1.00 0.00 N ATOM 1273 CA SER A 90 0.272 -7.626 3.367 1.00 0.00 C ATOM 1274 C SER A 90 1.449 -7.329 4.291 1.00 0.00 C ATOM 1275 O SER A 90 1.338 -6.519 5.211 1.00 0.00 O ATOM 1276 CB SER A 90 0.568 -7.102 1.960 1.00 0.00 C ATOM 1277 OG SER A 90 0.817 -5.707 1.978 1.00 0.00 O ATOM 0 H SER A 90 -1.499 -6.519 3.186 1.00 0.00 H new ATOM 0 HA SER A 90 0.132 -8.706 3.323 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.432 -7.624 1.548 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.276 -7.316 1.304 1.00 0.00 H new ATOM 0 HG SER A 90 1.765 -5.541 1.792 1.00 0.00 H new ATOM 1283 N GLU A 91 2.573 -7.990 4.039 1.00 0.00 N ATOM 1284 CA GLU A 91 3.770 -7.798 4.849 1.00 0.00 C ATOM 1285 C GLU A 91 4.297 -6.372 4.710 1.00 0.00 C ATOM 1286 O GLU A 91 4.756 -5.969 3.641 1.00 0.00 O ATOM 1287 CB GLU A 91 4.855 -8.796 4.441 1.00 0.00 C ATOM 1288 CG GLU A 91 4.557 -10.225 4.862 1.00 0.00 C ATOM 1289 CD GLU A 91 5.650 -11.194 4.454 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.747 -11.134 5.048 1.00 0.00 O ATOM 1291 OE2 GLU A 91 5.407 -12.012 3.542 1.00 0.00 O ATOM 0 H GLU A 91 2.680 -8.663 3.280 1.00 0.00 H new ATOM 0 HA GLU A 91 3.503 -7.969 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.978 -8.763 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.804 -8.487 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.429 -10.262 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.613 -10.541 4.419 1.00 0.00 H new ATOM 1298 N VAL A 92 4.227 -5.613 5.799 1.00 0.00 N ATOM 1299 CA VAL A 92 4.698 -4.233 5.800 1.00 0.00 C ATOM 1300 C VAL A 92 5.933 -4.072 4.922 1.00 0.00 C ATOM 1301 O VAL A 92 6.957 -4.719 5.146 1.00 0.00 O ATOM 1302 CB VAL A 92 5.029 -3.754 7.226 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.619 -2.353 7.195 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.787 -3.799 8.105 1.00 0.00 C ATOM 0 H VAL A 92 3.849 -5.930 6.692 1.00 0.00 H new ATOM 0 HA VAL A 92 3.889 -3.623 5.398 1.00 0.00 H new ATOM 0 HB VAL A 92 5.773 -4.426 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.846 -2.031 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.534 -2.356 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.900 -1.665 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.039 -3.457 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.019 -3.151 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.412 -4.821 8.153 1.00 0.00 H new ATOM 1314 N VAL A 93 5.832 -3.205 3.920 1.00 0.00 N ATOM 1315 CA VAL A 93 6.942 -2.957 3.008 1.00 0.00 C ATOM 1316 C VAL A 93 7.724 -1.715 3.419 1.00 0.00 C ATOM 1317 O VAL A 93 7.280 -0.589 3.199 1.00 0.00 O ATOM 1318 CB VAL A 93 6.449 -2.785 1.558 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.617 -2.495 0.628 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.689 -4.021 1.103 1.00 0.00 C ATOM 0 H VAL A 93 4.992 -2.662 3.719 1.00 0.00 H new ATOM 0 HA VAL A 93 7.596 -3.827 3.061 1.00 0.00 H new ATOM 0 HB VAL A 93 5.768 -1.935 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.250 -2.377 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.114 -1.578 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.325 -3.323 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.348 -3.882 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.345 -4.890 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.828 -4.178 1.753 1.00 0.00 H new ATOM 1330 N ALA A 94 8.891 -1.929 4.016 1.00 0.00 N ATOM 1331 CA ALA A 94 9.738 -0.826 4.455 1.00 0.00 C ATOM 1332 C ALA A 94 10.507 -0.224 3.285 1.00 0.00 C ATOM 1333 O ALA A 94 10.935 -0.939 2.377 1.00 0.00 O ATOM 1334 CB ALA A 94 10.701 -1.298 5.535 1.00 0.00 C ATOM 0 H ALA A 94 9.272 -2.856 4.207 1.00 0.00 H new ATOM 0 HA ALA A 94 9.095 -0.050 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.327 -0.465 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.136 -1.674 6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.331 -2.094 5.138 1.00 0.00 H new ATOM 1340 N CYS A 95 10.679 1.093 3.310 1.00 0.00 N ATOM 1341 CA CYS A 95 11.397 1.792 2.249 1.00 0.00 C ATOM 1342 C CYS A 95 11.910 3.142 2.738 1.00 0.00 C ATOM 1343 O CYS A 95 11.168 3.922 3.334 1.00 0.00 O ATOM 1344 CB CYS A 95 10.488 1.987 1.035 1.00 0.00 C ATOM 1345 SG CYS A 95 9.144 3.168 1.300 1.00 0.00 S ATOM 0 H CYS A 95 10.331 1.699 4.053 1.00 0.00 H new ATOM 0 HA CYS A 95 12.253 1.183 1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.092 2.324 0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.061 1.024 0.756 1.00 0.00 H new ATOM 0 HG CYS A 95 8.564 3.427 0.166 1.00 0.00 H new ATOM 1351 N VAL A 96 13.187 3.410 2.484 1.00 0.00 N ATOM 1352 CA VAL A 96 13.802 4.665 2.899 1.00 0.00 C ATOM 1353 C VAL A 96 14.204 5.506 1.691 1.00 0.00 C ATOM 1354 O VAL A 96 15.016 5.082 0.868 1.00 0.00 O ATOM 1355 CB VAL A 96 15.044 4.420 3.776 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.725 5.736 4.118 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.662 3.664 5.039 1.00 0.00 C ATOM 0 H VAL A 96 13.816 2.775 1.993 1.00 0.00 H new ATOM 0 HA VAL A 96 13.056 5.205 3.482 1.00 0.00 H new ATOM 0 HB VAL A 96 15.750 3.809 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.600 5.542 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.034 6.235 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.029 6.375 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.551 3.499 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.937 4.247 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.224 2.703 4.769 1.00 0.00 H new ATOM 1367 N THR A 97 13.631 6.701 1.592 1.00 0.00 N ATOM 1368 CA THR A 97 13.928 7.602 0.485 1.00 0.00 C ATOM 1369 C THR A 97 15.401 7.994 0.477 1.00 0.00 C ATOM 1370 O THR A 97 16.071 8.008 1.510 1.00 0.00 O ATOM 1371 CB THR A 97 13.069 8.878 0.553 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.179 9.475 1.850 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.611 8.565 0.255 1.00 0.00 C ATOM 0 H THR A 97 12.958 7.068 2.265 1.00 0.00 H new ATOM 0 HA THR A 97 13.693 7.064 -0.433 1.00 0.00 H new ATOM 0 HB THR A 97 13.435 9.576 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.710 10.336 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.024 9.482 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.527 8.139 -0.745 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.235 7.850 0.987 1.00 0.00 H new ATOM 1381 N PRO A 98 15.920 8.323 -0.715 1.00 0.00 N ATOM 1382 CA PRO A 98 17.320 8.724 -0.887 1.00 0.00 C ATOM 1383 C PRO A 98 17.611 10.089 -0.273 1.00 0.00 C ATOM 1384 O PRO A 98 16.751 10.970 -0.222 1.00 0.00 O ATOM 1385 CB PRO A 98 17.492 8.772 -2.407 1.00 0.00 C ATOM 1386 CG PRO A 98 16.121 9.021 -2.935 1.00 0.00 C ATOM 1387 CD PRO A 98 15.180 8.330 -1.988 1.00 0.00 C ATOM 0 HA PRO A 98 18.005 8.037 -0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.180 9.564 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.900 7.836 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.910 10.089 -2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.015 8.628 -3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.234 8.865 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.945 7.319 -2.322 1.00 0.00 H new ATOM 1395 N PRO A 99 18.851 10.273 0.201 1.00 0.00 N ATOM 1396 CA PRO A 99 19.285 11.531 0.819 1.00 0.00 C ATOM 1397 C PRO A 99 19.399 12.665 -0.195 1.00 0.00 C ATOM 1398 O PRO A 99 19.899 12.470 -1.304 1.00 0.00 O ATOM 1399 CB PRO A 99 20.661 11.187 1.395 1.00 0.00 C ATOM 1400 CG PRO A 99 21.149 10.054 0.560 1.00 0.00 C ATOM 1401 CD PRO A 99 19.927 9.268 0.173 1.00 0.00 C ATOM 0 HA PRO A 99 18.573 11.887 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.338 12.040 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.591 10.903 2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.675 10.418 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.852 9.434 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.033 8.821 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.735 8.454 0.872 1.00 0.00 H new ATOM 1409 N SER A 100 18.935 13.847 0.192 1.00 0.00 N ATOM 1410 CA SER A 100 18.982 15.012 -0.684 1.00 0.00 C ATOM 1411 C SER A 100 20.239 15.837 -0.424 1.00 0.00 C ATOM 1412 O SER A 100 20.219 17.065 -0.514 1.00 0.00 O ATOM 1413 CB SER A 100 17.738 15.879 -0.485 1.00 0.00 C ATOM 1414 OG SER A 100 17.520 16.723 -1.602 1.00 0.00 O ATOM 0 H SER A 100 18.521 14.025 1.107 1.00 0.00 H new ATOM 0 HA SER A 100 19.007 14.659 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.867 15.241 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.853 16.484 0.415 1.00 0.00 H new ATOM 0 HG SER A 100 18.322 17.262 -1.766 1.00 0.00 H new ATOM 1420 N SER A 101 21.331 15.154 -0.097 1.00 0.00 N ATOM 1421 CA SER A 101 22.597 15.823 0.182 1.00 0.00 C ATOM 1422 C SER A 101 23.246 16.315 -1.107 1.00 0.00 C ATOM 1423 O SER A 101 23.977 15.579 -1.768 1.00 0.00 O ATOM 1424 CB SER A 101 23.547 14.876 0.916 1.00 0.00 C ATOM 1425 OG SER A 101 24.723 15.552 1.328 1.00 0.00 O ATOM 0 H SER A 101 21.365 14.138 -0.019 1.00 0.00 H new ATOM 0 HA SER A 101 22.393 16.685 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.044 14.452 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.812 14.044 0.264 1.00 0.00 H new ATOM 0 HG SER A 101 25.313 14.925 1.796 1.00 0.00 H new ATOM 1431 N GLY A 102 22.974 17.569 -1.459 1.00 0.00 N ATOM 1432 CA GLY A 102 23.539 18.139 -2.668 1.00 0.00 C ATOM 1433 C GLY A 102 22.488 18.422 -3.722 1.00 0.00 C ATOM 1434 O GLY A 102 22.222 17.602 -4.600 1.00 0.00 O ATOM 0 H GLY A 102 22.373 18.199 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 102 24.059 19.064 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 102 24.283 17.454 -3.076 1.00 0.00 H new ATOM 1438 N PRO A 103 21.869 19.609 -3.641 1.00 0.00 N ATOM 1439 CA PRO A 103 20.829 20.026 -4.587 1.00 0.00 C ATOM 1440 C PRO A 103 21.388 20.303 -5.978 1.00 0.00 C ATOM 1441 O PRO A 103 22.339 21.068 -6.134 1.00 0.00 O ATOM 1442 CB PRO A 103 20.280 21.314 -3.966 1.00 0.00 C ATOM 1443 CG PRO A 103 21.399 21.841 -3.137 1.00 0.00 C ATOM 1444 CD PRO A 103 22.135 20.636 -2.620 1.00 0.00 C ATOM 0 HA PRO A 103 20.076 19.251 -4.732 1.00 0.00 H new ATOM 0 HB2 PRO A 103 19.985 22.029 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 103 19.397 21.116 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 103 22.058 22.476 -3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 103 21.023 22.450 -2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.202 20.831 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.769 20.332 -1.639 1.00 0.00 H new ATOM 1452 N SER A 104 20.792 19.675 -6.987 1.00 0.00 N ATOM 1453 CA SER A 104 21.233 19.851 -8.364 1.00 0.00 C ATOM 1454 C SER A 104 20.070 20.269 -9.259 1.00 0.00 C ATOM 1455 O SER A 104 18.912 20.249 -8.840 1.00 0.00 O ATOM 1456 CB SER A 104 21.856 18.557 -8.893 1.00 0.00 C ATOM 1457 OG SER A 104 23.156 18.363 -8.361 1.00 0.00 O ATOM 0 H SER A 104 20.002 19.040 -6.875 1.00 0.00 H new ATOM 0 HA SER A 104 21.984 20.641 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.222 17.710 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.906 18.592 -9.981 1.00 0.00 H new ATOM 0 HG SER A 104 23.532 17.529 -8.712 1.00 0.00 H new ATOM 1463 N SER A 105 20.386 20.649 -10.492 1.00 0.00 N ATOM 1464 CA SER A 105 19.369 21.076 -11.446 1.00 0.00 C ATOM 1465 C SER A 105 19.476 20.285 -12.746 1.00 0.00 C ATOM 1466 O SER A 105 18.470 19.987 -13.388 1.00 0.00 O ATOM 1467 CB SER A 105 19.506 22.573 -11.733 1.00 0.00 C ATOM 1468 OG SER A 105 20.575 22.825 -12.628 1.00 0.00 O ATOM 0 H SER A 105 21.339 20.670 -10.855 1.00 0.00 H new ATOM 0 HA SER A 105 18.390 20.885 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.576 22.952 -12.157 1.00 0.00 H new ATOM 0 HB3 SER A 105 19.674 23.111 -10.800 1.00 0.00 H new ATOM 0 HG SER A 105 20.640 23.788 -12.797 1.00 0.00 H new ATOM 1474 N GLY A 106 20.704 19.949 -13.128 1.00 0.00 N ATOM 1475 CA GLY A 106 20.922 19.196 -14.349 1.00 0.00 C ATOM 1476 C GLY A 106 22.363 18.755 -14.509 1.00 0.00 C ATOM 1477 O GLY A 106 23.163 18.878 -13.582 1.00 0.00 O ATOM 0 H GLY A 106 21.552 20.185 -12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 106 20.275 18.319 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 106 20.635 19.807 -15.205 1.00 0.00 H new TER 1481 GLY A 106