USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 574 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 31 THR OG1 : rot 160:sc= 0.0635 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.74! C(o=-3.7!,f=-5.4!) USER MOD Single : A 1 LYS N :NH3+ 142:sc= -0.0441 (180deg=-1.07) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0874 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00877 USER MOD Single : A 17 HIS : no HD1:sc= -0.0041 X(o=-0.0041,f=-0.013) USER MOD Single : A 22 ASN : amide:sc= -1.82 K(o=-1.8,f=-10!) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= -0.0192 (180deg=-0.569) USER MOD Single : A 25 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.8!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.21 K(o=-2.2,f=-15!) USER MOD Single : A 46 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.78) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.26! C(o=-1.3!,f=-2.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -1.33 (180deg=-2.07!) USER MOD Single : A 67 ASN : amide:sc= -0.0663 X(o=-0.066,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.862 -29.844 -6.059 1.00 0.00 N ATOM 2 CA LYS A 1 -1.947 -29.354 -5.162 1.00 0.00 C ATOM 3 C LYS A 1 -1.846 -27.831 -5.023 1.00 0.00 C ATOM 4 O LYS A 1 -1.272 -27.329 -4.057 1.00 0.00 O ATOM 5 CB LYS A 1 -1.804 -30.004 -3.782 1.00 0.00 C ATOM 6 CG LYS A 1 -0.376 -29.803 -3.257 1.00 0.00 C ATOM 7 CD LYS A 1 -0.421 -29.327 -1.802 1.00 0.00 C ATOM 8 CE LYS A 1 0.878 -29.720 -1.095 1.00 0.00 C ATOM 9 NZ LYS A 1 0.694 -29.605 0.379 1.00 0.00 N ATOM 0 H1 LYS A 1 -0.498 -30.750 -5.701 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.239 -29.977 -7.019 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.091 -29.147 -6.084 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.916 -29.617 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.521 -29.566 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.031 -31.068 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.182 -30.737 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.148 -29.072 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.554 -28.246 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.275 -29.770 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.154 -30.741 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.693 -29.074 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.576 -29.872 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.449 -28.624 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.072 -30.239 0.684 1.00 0.00 H new ATOM 25 N PRO A 2 -2.401 -27.073 -5.984 1.00 0.00 N ATOM 26 CA PRO A 2 -2.362 -25.598 -5.947 1.00 0.00 C ATOM 27 C PRO A 2 -3.466 -25.006 -5.075 1.00 0.00 C ATOM 28 O PRO A 2 -4.577 -25.533 -5.010 1.00 0.00 O ATOM 29 CB PRO A 2 -2.571 -25.222 -7.408 1.00 0.00 C ATOM 30 CG PRO A 2 -3.292 -26.387 -8.070 1.00 0.00 C ATOM 31 CD PRO A 2 -3.108 -27.613 -7.173 1.00 0.00 C ATOM 0 HA PRO A 2 -1.436 -25.217 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.159 -24.308 -7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.616 -25.032 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.351 -26.160 -8.197 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.885 -26.575 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.065 -28.059 -6.902 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.524 -28.388 -7.669 1.00 0.00 H new ATOM 39 N VAL A 3 -3.145 -23.904 -4.402 1.00 0.00 N ATOM 40 CA VAL A 3 -4.116 -23.245 -3.532 1.00 0.00 C ATOM 41 C VAL A 3 -4.402 -21.835 -4.029 1.00 0.00 C ATOM 42 O VAL A 3 -5.516 -21.517 -4.448 1.00 0.00 O ATOM 43 CB VAL A 3 -3.592 -23.175 -2.094 1.00 0.00 C ATOM 44 CG1 VAL A 3 -4.699 -22.662 -1.169 1.00 0.00 C ATOM 45 CG2 VAL A 3 -3.159 -24.571 -1.640 1.00 0.00 C ATOM 0 H VAL A 3 -2.231 -23.452 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.036 -23.830 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.740 -22.497 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.325 -22.613 -0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.010 -21.668 -1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.552 -23.340 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.786 -24.522 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.012 -25.248 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.370 -24.939 -2.296 1.00 0.00 H new ATOM 55 N SER A 4 -3.379 -20.996 -3.977 1.00 0.00 N ATOM 56 CA SER A 4 -3.508 -19.609 -4.421 1.00 0.00 C ATOM 57 C SER A 4 -4.568 -18.880 -3.599 1.00 0.00 C ATOM 58 O SER A 4 -5.082 -19.408 -2.613 1.00 0.00 O ATOM 59 CB SER A 4 -3.896 -19.553 -5.900 1.00 0.00 C ATOM 60 OG SER A 4 -3.271 -18.429 -6.506 1.00 0.00 O ATOM 0 H SER A 4 -2.452 -21.246 -3.634 1.00 0.00 H new ATOM 0 HA SER A 4 -2.543 -19.121 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.589 -20.470 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.979 -19.480 -6.002 1.00 0.00 H new ATOM 0 HG SER A 4 -3.516 -18.390 -7.454 1.00 0.00 H new ATOM 66 N LEU A 5 -4.888 -17.659 -4.019 1.00 0.00 N ATOM 67 CA LEU A 5 -5.890 -16.861 -3.318 1.00 0.00 C ATOM 68 C LEU A 5 -7.217 -16.895 -4.068 1.00 0.00 C ATOM 69 O LEU A 5 -7.263 -16.717 -5.285 1.00 0.00 O ATOM 70 CB LEU A 5 -5.424 -15.408 -3.193 1.00 0.00 C ATOM 71 CG LEU A 5 -4.378 -15.297 -2.079 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.314 -14.271 -2.476 1.00 0.00 C ATOM 73 CD2 LEU A 5 -5.057 -14.850 -0.782 1.00 0.00 C ATOM 0 H LEU A 5 -4.473 -17.204 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.024 -17.286 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.000 -15.069 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.273 -14.761 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.907 -16.268 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.570 -14.193 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.828 -14.589 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.784 -13.300 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.312 -14.771 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.529 -13.879 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.814 -15.581 -0.497 1.00 0.00 H new ATOM 85 N SER A 6 -8.298 -17.127 -3.327 1.00 0.00 N ATOM 86 CA SER A 6 -9.628 -17.184 -3.931 1.00 0.00 C ATOM 87 C SER A 6 -9.972 -15.848 -4.584 1.00 0.00 C ATOM 88 O SER A 6 -9.145 -14.939 -4.642 1.00 0.00 O ATOM 89 CB SER A 6 -10.683 -17.509 -2.874 1.00 0.00 C ATOM 90 OG SER A 6 -10.093 -18.297 -1.849 1.00 0.00 O ATOM 0 H SER A 6 -8.281 -17.277 -2.318 1.00 0.00 H new ATOM 0 HA SER A 6 -9.621 -17.968 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.089 -16.589 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.516 -18.046 -3.328 1.00 0.00 H new ATOM 0 HG SER A 6 -10.766 -18.506 -1.168 1.00 0.00 H new ATOM 96 N TYR A 7 -11.204 -15.739 -5.075 1.00 0.00 N ATOM 97 CA TYR A 7 -11.644 -14.503 -5.722 1.00 0.00 C ATOM 98 C TYR A 7 -11.790 -13.394 -4.688 1.00 0.00 C ATOM 99 O TYR A 7 -12.541 -13.519 -3.721 1.00 0.00 O ATOM 100 CB TYR A 7 -12.989 -14.690 -6.430 1.00 0.00 C ATOM 101 CG TYR A 7 -12.987 -15.976 -7.226 1.00 0.00 C ATOM 102 CD1 TYR A 7 -12.027 -16.179 -8.226 1.00 0.00 C ATOM 103 CD2 TYR A 7 -13.944 -16.963 -6.965 1.00 0.00 C ATOM 104 CE1 TYR A 7 -12.024 -17.370 -8.962 1.00 0.00 C ATOM 105 CE2 TYR A 7 -13.942 -18.153 -7.702 1.00 0.00 C ATOM 106 CZ TYR A 7 -12.981 -18.356 -8.701 1.00 0.00 C ATOM 107 OH TYR A 7 -12.980 -19.530 -9.427 1.00 0.00 O ATOM 0 H TYR A 7 -11.906 -16.478 -5.039 1.00 0.00 H new ATOM 0 HA TYR A 7 -10.889 -14.235 -6.461 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -13.795 -14.709 -5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -13.181 -13.845 -7.091 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.289 -15.417 -8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -14.684 -16.807 -6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.283 -17.527 -9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.681 -18.914 -7.501 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.710 -20.106 -9.118 1.00 0.00 H new ATOM 117 N ARG A 8 -11.056 -12.310 -4.907 1.00 0.00 N ATOM 118 CA ARG A 8 -11.085 -11.163 -3.998 1.00 0.00 C ATOM 119 C ARG A 8 -10.051 -10.129 -4.439 1.00 0.00 C ATOM 120 O ARG A 8 -9.404 -10.285 -5.473 1.00 0.00 O ATOM 121 CB ARG A 8 -10.768 -11.602 -2.563 1.00 0.00 C ATOM 122 CG ARG A 8 -9.473 -12.416 -2.549 1.00 0.00 C ATOM 123 CD ARG A 8 -9.348 -13.155 -1.216 1.00 0.00 C ATOM 124 NE ARG A 8 -9.438 -12.219 -0.098 1.00 0.00 N ATOM 125 CZ ARG A 8 -8.506 -12.192 0.849 1.00 0.00 C ATOM 126 NH1 ARG A 8 -7.256 -11.986 0.531 1.00 0.00 N ATOM 127 NH2 ARG A 8 -8.838 -12.372 2.098 1.00 0.00 N ATOM 0 H ARG A 8 -10.432 -12.198 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.084 -10.729 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.667 -10.729 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.589 -12.199 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.470 -13.129 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.616 -11.758 -2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.136 -13.904 -1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.397 -13.686 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.228 -11.576 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.994 -11.846 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.541 -11.965 1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.814 -12.534 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.122 -12.351 2.824 1.00 0.00 H new ATOM 141 N CYS A 9 -9.895 -9.073 -3.638 1.00 0.00 N ATOM 142 CA CYS A 9 -8.926 -8.018 -3.951 1.00 0.00 C ATOM 143 C CYS A 9 -7.529 -8.621 -4.163 1.00 0.00 C ATOM 144 O CYS A 9 -7.268 -9.746 -3.737 1.00 0.00 O ATOM 145 CB CYS A 9 -8.866 -7.001 -2.806 1.00 0.00 C ATOM 146 SG CYS A 9 -10.525 -6.345 -2.477 1.00 0.00 S ATOM 0 H CYS A 9 -10.421 -8.925 -2.776 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.246 -7.519 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.468 -7.474 -1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.188 -6.188 -3.065 1.00 0.00 H new ATOM 151 N PRO A 10 -6.615 -7.893 -4.826 1.00 0.00 N ATOM 152 CA PRO A 10 -5.251 -8.396 -5.083 1.00 0.00 C ATOM 153 C PRO A 10 -4.349 -8.312 -3.853 1.00 0.00 C ATOM 154 O PRO A 10 -3.364 -9.044 -3.741 1.00 0.00 O ATOM 155 CB PRO A 10 -4.751 -7.482 -6.194 1.00 0.00 C ATOM 156 CG PRO A 10 -5.561 -6.199 -6.111 1.00 0.00 C ATOM 157 CD PRO A 10 -6.855 -6.528 -5.363 1.00 0.00 C ATOM 0 HA PRO A 10 -5.246 -9.453 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.688 -7.275 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.876 -7.955 -7.168 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.001 -5.424 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.780 -5.817 -7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.049 -5.812 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.718 -6.505 -6.028 1.00 0.00 H new ATOM 165 N CYS A 11 -4.698 -7.423 -2.928 1.00 0.00 N ATOM 166 CA CYS A 11 -3.911 -7.269 -1.709 1.00 0.00 C ATOM 167 C CYS A 11 -4.339 -8.301 -0.673 1.00 0.00 C ATOM 168 O CYS A 11 -5.505 -8.685 -0.595 1.00 0.00 O ATOM 169 CB CYS A 11 -4.093 -5.872 -1.114 1.00 0.00 C ATOM 170 SG CYS A 11 -2.953 -4.716 -1.916 1.00 0.00 S ATOM 0 H CYS A 11 -5.508 -6.807 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.863 -7.415 -1.970 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.122 -5.538 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.907 -5.896 -0.040 1.00 0.00 H new ATOM 175 N ARG A 12 -3.374 -8.740 0.122 1.00 0.00 N ATOM 176 CA ARG A 12 -3.645 -9.733 1.168 1.00 0.00 C ATOM 177 C ARG A 12 -3.066 -9.277 2.507 1.00 0.00 C ATOM 178 O ARG A 12 -3.695 -9.431 3.554 1.00 0.00 O ATOM 179 CB ARG A 12 -3.071 -11.117 0.806 1.00 0.00 C ATOM 180 CG ARG A 12 -1.738 -10.985 0.052 1.00 0.00 C ATOM 181 CD ARG A 12 -0.816 -12.152 0.418 1.00 0.00 C ATOM 182 NE ARG A 12 -0.750 -13.118 -0.678 1.00 0.00 N ATOM 183 CZ ARG A 12 -0.144 -14.291 -0.519 1.00 0.00 C ATOM 184 NH1 ARG A 12 -0.694 -15.215 0.220 1.00 0.00 N ATOM 185 NH2 ARG A 12 1.001 -14.517 -1.102 1.00 0.00 N ATOM 0 H ARG A 12 -2.403 -8.432 0.069 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.728 -9.822 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.922 -11.701 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.788 -11.661 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.917 -10.975 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.259 -10.039 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.183 -11.777 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.181 -12.642 1.321 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.175 -12.889 -1.577 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.589 -15.038 0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.229 -16.115 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.431 -13.794 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.466 -15.416 -0.980 1.00 0.00 H new ATOM 199 N PHE A 13 -1.868 -8.701 2.461 1.00 0.00 N ATOM 200 CA PHE A 13 -1.218 -8.209 3.670 1.00 0.00 C ATOM 201 C PHE A 13 -0.571 -6.861 3.386 1.00 0.00 C ATOM 202 O PHE A 13 -0.061 -6.621 2.292 1.00 0.00 O ATOM 203 CB PHE A 13 -0.145 -9.188 4.150 1.00 0.00 C ATOM 204 CG PHE A 13 -0.802 -10.449 4.657 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.313 -11.386 3.751 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.900 -10.683 6.035 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.922 -12.555 4.222 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.510 -11.852 6.505 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.020 -12.789 5.598 1.00 0.00 C ATOM 0 H PHE A 13 -1.331 -8.564 1.605 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.974 -8.107 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.538 -9.424 3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.450 -8.732 4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.237 -11.207 2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.505 -9.961 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.317 -13.277 3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.587 -12.031 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.489 -13.692 5.960 1.00 0.00 H new ATOM 219 N PHE A 14 -0.607 -5.977 4.375 1.00 0.00 N ATOM 220 CA PHE A 14 -0.029 -4.649 4.207 1.00 0.00 C ATOM 221 C PHE A 14 1.242 -4.503 5.028 1.00 0.00 C ATOM 222 O PHE A 14 1.275 -4.829 6.215 1.00 0.00 O ATOM 223 CB PHE A 14 -1.021 -3.572 4.640 1.00 0.00 C ATOM 224 CG PHE A 14 -1.997 -3.322 3.521 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.799 -4.361 3.039 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.093 -2.047 2.964 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.701 -4.120 1.996 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.993 -1.803 1.921 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.798 -2.840 1.436 1.00 0.00 C ATOM 0 H PHE A 14 -1.024 -6.151 5.290 1.00 0.00 H new ATOM 0 HA PHE A 14 0.207 -4.526 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.552 -3.889 5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.492 -2.652 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.723 -5.348 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.472 -1.247 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.322 -4.921 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.066 -0.815 1.491 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.493 -2.653 0.631 1.00 0.00 H new ATOM 239 N GLU A 15 2.286 -3.998 4.382 1.00 0.00 N ATOM 240 CA GLU A 15 3.559 -3.800 5.064 1.00 0.00 C ATOM 241 C GLU A 15 3.715 -2.336 5.470 1.00 0.00 C ATOM 242 O GLU A 15 4.447 -1.574 4.839 1.00 0.00 O ATOM 243 CB GLU A 15 4.724 -4.205 4.157 1.00 0.00 C ATOM 244 CG GLU A 15 5.997 -4.342 4.993 1.00 0.00 C ATOM 245 CD GLU A 15 5.981 -5.677 5.730 1.00 0.00 C ATOM 246 OE1 GLU A 15 5.569 -6.657 5.131 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.381 -5.700 6.882 1.00 0.00 O ATOM 0 H GLU A 15 2.278 -3.721 3.400 1.00 0.00 H new ATOM 0 HA GLU A 15 3.570 -4.427 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.500 -5.148 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.868 -3.458 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.875 -4.280 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.066 -3.521 5.707 1.00 0.00 H new ATOM 254 N SER A 16 3.014 -1.951 6.536 1.00 0.00 N ATOM 255 CA SER A 16 3.077 -0.574 7.025 1.00 0.00 C ATOM 256 C SER A 16 4.517 -0.183 7.362 1.00 0.00 C ATOM 257 O SER A 16 4.889 0.988 7.291 1.00 0.00 O ATOM 258 CB SER A 16 2.210 -0.405 8.274 1.00 0.00 C ATOM 259 OG SER A 16 2.410 -1.516 9.137 1.00 0.00 O ATOM 0 H SER A 16 2.402 -2.566 7.073 1.00 0.00 H new ATOM 0 HA SER A 16 2.703 0.075 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.469 0.521 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.159 -0.331 7.994 1.00 0.00 H new ATOM 0 HG SER A 16 1.857 -1.411 9.939 1.00 0.00 H new ATOM 265 N HIS A 17 5.324 -1.181 7.722 1.00 0.00 N ATOM 266 CA HIS A 17 6.726 -0.934 8.059 1.00 0.00 C ATOM 267 C HIS A 17 7.462 -0.271 6.893 1.00 0.00 C ATOM 268 O HIS A 17 8.500 0.363 7.081 1.00 0.00 O ATOM 269 CB HIS A 17 7.429 -2.248 8.406 1.00 0.00 C ATOM 270 CG HIS A 17 7.062 -2.661 9.804 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.333 -3.810 10.067 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.314 -2.090 11.027 1.00 0.00 C ATOM 273 CE1 HIS A 17 6.173 -3.894 11.401 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.752 -2.869 12.034 1.00 0.00 N ATOM 0 H HIS A 17 5.036 -2.157 7.787 1.00 0.00 H new ATOM 0 HA HIS A 17 6.746 -0.266 8.920 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.140 -3.025 7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.509 -2.127 8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.865 -1.175 11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.642 -4.692 11.899 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.777 -2.695 13.039 1.00 0.00 H new ATOM 282 N VAL A 18 6.916 -0.422 5.681 1.00 0.00 N ATOM 283 CA VAL A 18 7.527 0.165 4.492 1.00 0.00 C ATOM 284 C VAL A 18 7.717 1.670 4.668 1.00 0.00 C ATOM 285 O VAL A 18 7.039 2.317 5.467 1.00 0.00 O ATOM 286 CB VAL A 18 6.647 -0.098 3.259 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.271 0.527 2.005 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.515 -1.607 3.049 1.00 0.00 C ATOM 0 H VAL A 18 6.058 -0.943 5.502 1.00 0.00 H new ATOM 0 HA VAL A 18 8.503 -0.299 4.348 1.00 0.00 H new ATOM 0 HB VAL A 18 5.668 0.350 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.633 0.329 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.368 1.604 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.256 0.093 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.892 -1.800 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.503 -2.040 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.056 -2.058 3.929 1.00 0.00 H new ATOM 298 N ALA A 19 8.645 2.206 3.893 1.00 0.00 N ATOM 299 CA ALA A 19 8.942 3.628 3.928 1.00 0.00 C ATOM 300 C ALA A 19 9.364 4.091 2.540 1.00 0.00 C ATOM 301 O ALA A 19 10.103 3.399 1.840 1.00 0.00 O ATOM 302 CB ALA A 19 10.061 3.924 4.925 1.00 0.00 C ATOM 0 H ALA A 19 9.208 1.675 3.229 1.00 0.00 H new ATOM 0 HA ALA A 19 8.046 4.163 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.266 4.994 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.755 3.605 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.962 3.384 4.632 1.00 0.00 H new ATOM 308 N ARG A 20 8.873 5.266 2.146 1.00 0.00 N ATOM 309 CA ARG A 20 9.173 5.839 0.823 1.00 0.00 C ATOM 310 C ARG A 20 10.644 5.663 0.425 1.00 0.00 C ATOM 311 O ARG A 20 10.970 5.565 -0.758 1.00 0.00 O ATOM 312 CB ARG A 20 8.836 7.328 0.812 1.00 0.00 C ATOM 313 CG ARG A 20 8.476 7.763 -0.610 1.00 0.00 C ATOM 314 CD ARG A 20 8.854 9.232 -0.806 1.00 0.00 C ATOM 315 NE ARG A 20 9.055 9.530 -2.221 1.00 0.00 N ATOM 316 CZ ARG A 20 9.804 10.560 -2.604 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.609 11.739 -2.081 1.00 0.00 N ATOM 318 NH2 ARG A 20 10.733 10.391 -3.504 1.00 0.00 N ATOM 0 H ARG A 20 8.263 5.845 2.723 1.00 0.00 H new ATOM 0 HA ARG A 20 8.561 5.299 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.003 7.527 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.686 7.906 1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.001 7.142 -1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.409 7.625 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.069 9.871 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.764 9.456 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 20 8.614 8.939 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.882 11.871 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.184 12.529 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.885 9.469 -3.914 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.308 11.181 -3.798 1.00 0.00 H new ATOM 332 N ALA A 21 11.525 5.626 1.421 1.00 0.00 N ATOM 333 CA ALA A 21 12.953 5.462 1.156 1.00 0.00 C ATOM 334 C ALA A 21 13.224 4.147 0.428 1.00 0.00 C ATOM 335 O ALA A 21 13.725 4.135 -0.697 1.00 0.00 O ATOM 336 CB ALA A 21 13.745 5.477 2.464 1.00 0.00 C ATOM 0 H ALA A 21 11.280 5.706 2.408 1.00 0.00 H new ATOM 0 HA ALA A 21 13.270 6.293 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.806 5.354 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.586 6.427 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.408 4.661 3.103 1.00 0.00 H new ATOM 342 N ASN A 22 12.894 3.042 1.087 1.00 0.00 N ATOM 343 CA ASN A 22 13.111 1.721 0.504 1.00 0.00 C ATOM 344 C ASN A 22 12.059 1.385 -0.558 1.00 0.00 C ATOM 345 O ASN A 22 12.162 0.364 -1.233 1.00 0.00 O ATOM 346 CB ASN A 22 13.076 0.652 1.598 1.00 0.00 C ATOM 347 CG ASN A 22 11.746 0.714 2.340 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.459 1.689 3.035 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.909 -0.281 2.234 1.00 0.00 N ATOM 0 H ASN A 22 12.478 3.033 2.018 1.00 0.00 H new ATOM 0 HA ASN A 22 14.089 1.736 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.211 -0.336 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.899 0.806 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.017 -0.251 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.147 -1.089 1.658 1.00 0.00 H new ATOM 356 N VAL A 23 11.053 2.248 -0.718 1.00 0.00 N ATOM 357 CA VAL A 23 10.024 1.999 -1.723 1.00 0.00 C ATOM 358 C VAL A 23 10.569 2.360 -3.101 1.00 0.00 C ATOM 359 O VAL A 23 11.233 3.383 -3.273 1.00 0.00 O ATOM 360 CB VAL A 23 8.765 2.826 -1.431 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.663 2.469 -2.434 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.271 2.526 -0.006 1.00 0.00 C ATOM 0 H VAL A 23 10.932 3.105 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 23 9.754 0.943 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 23 9.006 3.885 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.772 3.060 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.008 2.684 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.424 1.409 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.377 3.114 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.036 1.465 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.050 2.786 0.711 1.00 0.00 H new ATOM 372 N LYS A 24 10.296 1.502 -4.076 1.00 0.00 N ATOM 373 CA LYS A 24 10.780 1.732 -5.435 1.00 0.00 C ATOM 374 C LYS A 24 9.778 2.552 -6.232 1.00 0.00 C ATOM 375 O LYS A 24 10.111 3.603 -6.780 1.00 0.00 O ATOM 376 CB LYS A 24 11.009 0.402 -6.158 1.00 0.00 C ATOM 377 CG LYS A 24 12.074 0.584 -7.244 1.00 0.00 C ATOM 378 CD LYS A 24 11.712 -0.258 -8.469 1.00 0.00 C ATOM 379 CE LYS A 24 12.200 0.445 -9.737 1.00 0.00 C ATOM 380 NZ LYS A 24 13.538 -0.090 -10.119 1.00 0.00 N ATOM 0 H LYS A 24 9.749 0.650 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 24 11.721 2.277 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.327 -0.360 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.077 0.053 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.147 1.635 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.051 0.287 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.166 -1.246 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.633 -0.406 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.489 0.289 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.261 1.520 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.672 0.010 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.280 0.442 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.597 -1.095 -9.858 1.00 0.00 H new ATOM 394 N HIS A 25 8.547 2.061 -6.296 1.00 0.00 N ATOM 395 CA HIS A 25 7.507 2.766 -7.042 1.00 0.00 C ATOM 396 C HIS A 25 6.132 2.478 -6.456 1.00 0.00 C ATOM 397 O HIS A 25 5.944 1.510 -5.719 1.00 0.00 O ATOM 398 CB HIS A 25 7.520 2.339 -8.510 1.00 0.00 C ATOM 399 CG HIS A 25 8.486 3.199 -9.276 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.368 2.672 -10.206 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.721 4.552 -9.262 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.084 3.693 -10.710 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.730 4.862 -10.169 1.00 0.00 N ATOM 0 H HIS A 25 8.245 1.194 -5.851 1.00 0.00 H new ATOM 0 HA HIS A 25 7.713 3.834 -6.969 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.807 1.291 -8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.520 2.430 -8.935 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.202 5.267 -8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.852 3.581 -11.461 1.00 0.00 H new ATOM 0 HE2 HIS A 25 10.116 5.783 -10.376 1.00 0.00 H new ATOM 411 N LEU A 26 5.169 3.331 -6.797 1.00 0.00 N ATOM 412 CA LEU A 26 3.810 3.157 -6.302 1.00 0.00 C ATOM 413 C LEU A 26 2.881 2.711 -7.419 1.00 0.00 C ATOM 414 O LEU A 26 3.009 3.133 -8.569 1.00 0.00 O ATOM 415 CB LEU A 26 3.256 4.462 -5.727 1.00 0.00 C ATOM 416 CG LEU A 26 3.714 4.660 -4.278 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.131 5.970 -3.745 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.213 3.504 -3.409 1.00 0.00 C ATOM 0 H LEU A 26 5.303 4.138 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 26 3.855 2.398 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.589 5.303 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.167 4.449 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 26 4.803 4.690 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.452 6.118 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.482 6.800 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.043 5.926 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.543 3.652 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.124 3.471 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.615 2.564 -3.787 1.00 0.00 H new ATOM 430 N LYS A 27 1.932 1.864 -7.054 1.00 0.00 N ATOM 431 CA LYS A 27 0.951 1.363 -8.011 1.00 0.00 C ATOM 432 C LYS A 27 -0.386 1.147 -7.305 1.00 0.00 C ATOM 433 O LYS A 27 -0.431 0.905 -6.101 1.00 0.00 O ATOM 434 CB LYS A 27 1.428 0.039 -8.632 1.00 0.00 C ATOM 435 CG LYS A 27 1.779 0.253 -10.109 1.00 0.00 C ATOM 436 CD LYS A 27 3.249 0.666 -10.236 1.00 0.00 C ATOM 437 CE LYS A 27 3.398 1.699 -11.354 1.00 0.00 C ATOM 438 NZ LYS A 27 4.764 2.291 -11.305 1.00 0.00 N ATOM 0 H LYS A 27 1.818 1.508 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 27 0.832 2.098 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.299 -0.333 -8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.649 -0.718 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.599 -0.663 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.137 1.022 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.603 1.083 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.865 -0.207 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.228 1.229 -12.323 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.647 2.481 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.865 2.993 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.909 2.753 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.472 1.540 -11.431 1.00 0.00 H new ATOM 452 N ILE A 28 -1.475 1.249 -8.063 1.00 0.00 N ATOM 453 CA ILE A 28 -2.801 1.070 -7.494 1.00 0.00 C ATOM 454 C ILE A 28 -3.678 0.257 -8.441 1.00 0.00 C ATOM 455 O ILE A 28 -3.610 0.409 -9.661 1.00 0.00 O ATOM 456 CB ILE A 28 -3.460 2.427 -7.240 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.531 3.291 -6.382 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.785 2.224 -6.509 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.116 4.698 -6.250 1.00 0.00 C ATOM 0 H ILE A 28 -1.463 1.453 -9.062 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.696 0.537 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.645 2.924 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.409 2.843 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.541 3.339 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.253 3.192 -6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.447 1.609 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.603 1.726 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.454 5.312 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.215 5.145 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.097 4.641 -5.777 1.00 0.00 H new ATOM 471 N LEU A 29 -4.506 -0.607 -7.863 1.00 0.00 N ATOM 472 CA LEU A 29 -5.399 -1.439 -8.662 1.00 0.00 C ATOM 473 C LEU A 29 -6.841 -0.983 -8.483 1.00 0.00 C ATOM 474 O LEU A 29 -7.420 -1.110 -7.404 1.00 0.00 O ATOM 475 CB LEU A 29 -5.284 -2.906 -8.249 1.00 0.00 C ATOM 476 CG LEU A 29 -3.896 -3.434 -8.621 1.00 0.00 C ATOM 477 CD1 LEU A 29 -2.865 -2.918 -7.614 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.908 -4.964 -8.595 1.00 0.00 C ATOM 0 H LEU A 29 -4.578 -0.749 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.109 -1.338 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.447 -3.007 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.054 -3.496 -8.746 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.634 -3.088 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.877 -3.294 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.855 -1.828 -7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.128 -3.264 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.920 -5.340 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.172 -5.309 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.641 -5.334 -9.311 1.00 0.00 H new ATOM 490 N ASN A 30 -7.411 -0.444 -9.555 1.00 0.00 N ATOM 491 CA ASN A 30 -8.789 0.037 -9.512 1.00 0.00 C ATOM 492 C ASN A 30 -9.761 -1.106 -9.809 1.00 0.00 C ATOM 493 O ASN A 30 -10.560 -1.044 -10.746 1.00 0.00 O ATOM 494 CB ASN A 30 -8.994 1.161 -10.532 1.00 0.00 C ATOM 495 CG ASN A 30 -10.232 1.969 -10.157 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.135 1.461 -9.492 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.329 3.210 -10.548 1.00 0.00 N ATOM 0 H ASN A 30 -6.947 -0.329 -10.456 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.985 0.423 -8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.118 1.809 -10.556 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.109 0.743 -11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.153 3.759 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.581 3.631 -11.099 1.00 0.00 H new ATOM 504 N THR A 31 -9.684 -2.150 -8.991 1.00 0.00 N ATOM 505 CA THR A 31 -10.558 -3.306 -9.158 1.00 0.00 C ATOM 506 C THR A 31 -12.014 -2.893 -8.915 1.00 0.00 C ATOM 507 O THR A 31 -12.281 -2.042 -8.068 1.00 0.00 O ATOM 508 CB THR A 31 -10.170 -4.403 -8.160 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.796 -4.267 -7.816 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.401 -5.779 -8.783 1.00 0.00 C ATOM 0 H THR A 31 -9.030 -2.220 -8.211 1.00 0.00 H new ATOM 0 HA THR A 31 -10.451 -3.687 -10.174 1.00 0.00 H new ATOM 0 HB THR A 31 -10.785 -4.305 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.623 -4.732 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.123 -6.553 -8.068 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.453 -5.888 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.791 -5.879 -9.681 1.00 0.00 H new ATOM 518 N PRO A 32 -12.978 -3.482 -9.643 1.00 0.00 N ATOM 519 CA PRO A 32 -14.403 -3.141 -9.469 1.00 0.00 C ATOM 520 C PRO A 32 -15.002 -3.804 -8.236 1.00 0.00 C ATOM 521 O PRO A 32 -15.780 -3.197 -7.499 1.00 0.00 O ATOM 522 CB PRO A 32 -15.041 -3.667 -10.747 1.00 0.00 C ATOM 523 CG PRO A 32 -14.125 -4.754 -11.285 1.00 0.00 C ATOM 524 CD PRO A 32 -12.739 -4.521 -10.679 1.00 0.00 C ATOM 0 HA PRO A 32 -14.565 -2.074 -9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.036 -4.065 -10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.160 -2.866 -11.477 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.501 -5.741 -11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.080 -4.715 -12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.333 -5.434 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.026 -4.181 -11.430 1.00 0.00 H new ATOM 532 N ASN A 33 -14.617 -5.053 -8.012 1.00 0.00 N ATOM 533 CA ASN A 33 -15.103 -5.793 -6.858 1.00 0.00 C ATOM 534 C ASN A 33 -14.642 -5.119 -5.564 1.00 0.00 C ATOM 535 O ASN A 33 -15.300 -5.218 -4.528 1.00 0.00 O ATOM 536 CB ASN A 33 -14.581 -7.232 -6.884 1.00 0.00 C ATOM 537 CG ASN A 33 -15.428 -8.061 -7.843 1.00 0.00 C ATOM 538 OD1 ASN A 33 -14.995 -8.375 -8.951 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.624 -8.438 -7.479 1.00 0.00 N ATOM 0 H ASN A 33 -13.974 -5.571 -8.610 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.192 -5.803 -6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.537 -7.246 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.619 -7.662 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.199 -8.993 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.983 -8.178 -6.560 1.00 0.00 H new ATOM 546 N CYS A 34 -13.503 -4.429 -5.640 1.00 0.00 N ATOM 547 CA CYS A 34 -12.957 -3.738 -4.473 1.00 0.00 C ATOM 548 C CYS A 34 -13.098 -2.227 -4.653 1.00 0.00 C ATOM 549 O CYS A 34 -13.792 -1.763 -5.558 1.00 0.00 O ATOM 550 CB CYS A 34 -11.475 -4.090 -4.276 1.00 0.00 C ATOM 551 SG CYS A 34 -11.261 -5.891 -4.302 1.00 0.00 S ATOM 0 H CYS A 34 -12.946 -4.334 -6.489 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.515 -4.059 -3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.876 -3.632 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.119 -3.686 -3.328 1.00 0.00 H new ATOM 556 N ALA A 35 -12.439 -1.463 -3.786 1.00 0.00 N ATOM 557 CA ALA A 35 -12.510 -0.008 -3.868 1.00 0.00 C ATOM 558 C ALA A 35 -11.212 0.568 -4.436 1.00 0.00 C ATOM 559 O ALA A 35 -11.141 0.936 -5.609 1.00 0.00 O ATOM 560 CB ALA A 35 -12.778 0.596 -2.486 1.00 0.00 C ATOM 0 H ALA A 35 -11.857 -1.821 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.332 0.250 -4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.828 1.682 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.725 0.217 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.973 0.319 -1.806 1.00 0.00 H new ATOM 566 N LEU A 36 -10.188 0.643 -3.591 1.00 0.00 N ATOM 567 CA LEU A 36 -8.894 1.177 -4.013 1.00 0.00 C ATOM 568 C LEU A 36 -7.784 0.634 -3.121 1.00 0.00 C ATOM 569 O LEU A 36 -7.565 1.120 -2.012 1.00 0.00 O ATOM 570 CB LEU A 36 -8.892 2.707 -3.932 1.00 0.00 C ATOM 571 CG LEU A 36 -9.417 3.301 -5.250 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.823 3.868 -5.038 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.486 4.425 -5.715 1.00 0.00 C ATOM 0 H LEU A 36 -10.226 0.344 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.721 0.869 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.515 3.037 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.882 3.068 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.450 2.516 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.191 4.288 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.491 3.071 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.790 4.649 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.860 4.844 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.451 5.206 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.484 4.026 -5.872 1.00 0.00 H new ATOM 585 N GLN A 37 -7.087 -0.380 -3.620 1.00 0.00 N ATOM 586 CA GLN A 37 -5.997 -0.990 -2.865 1.00 0.00 C ATOM 587 C GLN A 37 -4.655 -0.499 -3.398 1.00 0.00 C ATOM 588 O GLN A 37 -4.236 -0.876 -4.494 1.00 0.00 O ATOM 589 CB GLN A 37 -6.050 -2.516 -2.985 1.00 0.00 C ATOM 590 CG GLN A 37 -7.401 -3.035 -2.482 1.00 0.00 C ATOM 591 CD GLN A 37 -8.458 -2.853 -3.567 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.476 -2.198 -3.345 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.274 -3.396 -4.739 1.00 0.00 N ATOM 0 H GLN A 37 -7.254 -0.795 -4.537 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.106 -0.706 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.901 -2.813 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.241 -2.963 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.320 -4.088 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.695 -2.498 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.430 -3.939 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.974 -3.278 -5.471 1.00 0.00 H new ATOM 602 N ILE A 38 -3.986 0.349 -2.620 1.00 0.00 N ATOM 603 CA ILE A 38 -2.694 0.878 -3.048 1.00 0.00 C ATOM 604 C ILE A 38 -1.605 -0.174 -2.893 1.00 0.00 C ATOM 605 O ILE A 38 -1.308 -0.641 -1.789 1.00 0.00 O ATOM 606 CB ILE A 38 -2.291 2.114 -2.243 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.448 3.117 -2.217 1.00 0.00 C ATOM 608 CG2 ILE A 38 -1.069 2.763 -2.903 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.153 4.207 -1.183 1.00 0.00 C ATOM 0 H ILE A 38 -4.308 0.679 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.801 1.157 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.050 1.821 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.580 3.562 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.380 2.608 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.775 3.646 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.244 2.051 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.318 3.054 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.976 4.922 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.042 3.754 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.231 4.723 -1.451 1.00 0.00 H new ATOM 621 N VAL A 39 -0.993 -0.515 -4.016 1.00 0.00 N ATOM 622 CA VAL A 39 0.086 -1.490 -4.017 1.00 0.00 C ATOM 623 C VAL A 39 1.409 -0.763 -4.189 1.00 0.00 C ATOM 624 O VAL A 39 1.438 0.450 -4.402 1.00 0.00 O ATOM 625 CB VAL A 39 -0.091 -2.514 -5.140 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.360 -3.331 -4.891 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.210 -1.790 -6.482 1.00 0.00 C ATOM 0 H VAL A 39 -1.223 -0.134 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 39 0.071 -2.027 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 39 0.773 -3.178 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.486 -4.060 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.277 -3.850 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.223 -2.665 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.336 -2.522 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.073 -1.124 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.694 -1.208 -6.663 1.00 0.00 H new ATOM 637 N ALA A 40 2.503 -1.499 -4.074 1.00 0.00 N ATOM 638 CA ALA A 40 3.817 -0.885 -4.201 1.00 0.00 C ATOM 639 C ALA A 40 4.885 -1.919 -4.491 1.00 0.00 C ATOM 640 O ALA A 40 4.609 -3.111 -4.589 1.00 0.00 O ATOM 641 CB ALA A 40 4.183 -0.179 -2.903 1.00 0.00 C ATOM 0 H ALA A 40 2.511 -2.503 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 40 3.769 -0.177 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.167 0.279 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.444 0.593 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.200 -0.902 -2.088 1.00 0.00 H new ATOM 647 N ARG A 41 6.115 -1.434 -4.608 1.00 0.00 N ATOM 648 CA ARG A 41 7.256 -2.304 -4.865 1.00 0.00 C ATOM 649 C ARG A 41 8.475 -1.801 -4.094 1.00 0.00 C ATOM 650 O ARG A 41 8.970 -0.698 -4.341 1.00 0.00 O ATOM 651 CB ARG A 41 7.572 -2.347 -6.358 1.00 0.00 C ATOM 652 CG ARG A 41 8.482 -3.543 -6.656 1.00 0.00 C ATOM 653 CD ARG A 41 9.951 -3.102 -6.641 1.00 0.00 C ATOM 654 NE ARG A 41 10.519 -3.165 -7.985 1.00 0.00 N ATOM 655 CZ ARG A 41 11.164 -4.250 -8.404 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.648 -5.433 -8.207 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.313 -4.133 -9.012 1.00 0.00 N ATOM 0 H ARG A 41 6.348 -0.444 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 41 7.007 -3.311 -4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.650 -2.427 -6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.059 -1.421 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.321 -4.326 -5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.231 -3.968 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.027 -2.085 -6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.522 -3.742 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 41 10.420 -2.366 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.750 -5.525 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.143 -6.265 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.717 -3.209 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.807 -4.966 -9.333 1.00 0.00 H new ATOM 671 N LEU A 42 8.932 -2.619 -3.141 1.00 0.00 N ATOM 672 CA LEU A 42 10.074 -2.264 -2.302 1.00 0.00 C ATOM 673 C LEU A 42 11.398 -2.503 -3.023 1.00 0.00 C ATOM 674 O LEU A 42 11.463 -3.226 -4.021 1.00 0.00 O ATOM 675 CB LEU A 42 10.063 -3.096 -1.022 1.00 0.00 C ATOM 676 CG LEU A 42 8.697 -3.001 -0.347 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.664 -3.936 0.861 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.453 -1.565 0.119 1.00 0.00 C ATOM 0 H LEU A 42 8.526 -3.532 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 42 9.986 -1.203 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.292 -4.136 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.839 -2.743 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 42 7.921 -3.289 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.690 -3.870 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.838 -4.961 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.441 -3.645 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.477 -1.500 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.228 -1.276 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.479 -0.894 -0.740 1.00 0.00 H new ATOM 690 N LYS A 43 12.453 -1.879 -2.491 1.00 0.00 N ATOM 691 CA LYS A 43 13.793 -1.999 -3.067 1.00 0.00 C ATOM 692 C LYS A 43 14.698 -2.862 -2.189 1.00 0.00 C ATOM 693 O LYS A 43 15.474 -3.676 -2.688 1.00 0.00 O ATOM 694 CB LYS A 43 14.429 -0.608 -3.212 1.00 0.00 C ATOM 695 CG LYS A 43 14.280 -0.112 -4.650 1.00 0.00 C ATOM 696 CD LYS A 43 15.064 -1.026 -5.595 1.00 0.00 C ATOM 697 CE LYS A 43 15.591 -0.210 -6.776 1.00 0.00 C ATOM 698 NZ LYS A 43 16.889 -0.781 -7.233 1.00 0.00 N ATOM 0 H LYS A 43 12.404 -1.286 -1.663 1.00 0.00 H new ATOM 0 HA LYS A 43 13.692 -2.471 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.952 0.092 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.484 -0.651 -2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.227 -0.098 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.646 0.911 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.893 -1.492 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.423 -1.832 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.868 -0.222 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.723 0.831 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.248 -0.227 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.577 -0.747 -6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.749 -1.768 -7.529 1.00 0.00 H new ATOM 712 N ASN A 44 14.602 -2.660 -0.875 1.00 0.00 N ATOM 713 CA ASN A 44 15.429 -3.405 0.085 1.00 0.00 C ATOM 714 C ASN A 44 15.457 -4.901 -0.233 1.00 0.00 C ATOM 715 O ASN A 44 16.481 -5.567 -0.077 1.00 0.00 O ATOM 716 CB ASN A 44 14.895 -3.215 1.505 1.00 0.00 C ATOM 717 CG ASN A 44 15.970 -3.616 2.511 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.650 -2.761 3.076 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.165 -4.881 2.767 1.00 0.00 N ATOM 0 H ASN A 44 13.963 -1.990 -0.448 1.00 0.00 H new ATOM 0 HA ASN A 44 16.443 -3.012 0.008 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.606 -2.175 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.000 -3.820 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.882 -5.161 3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.600 -5.589 2.298 1.00 0.00 H new ATOM 726 N ASN A 45 14.319 -5.417 -0.677 1.00 0.00 N ATOM 727 CA ASN A 45 14.215 -6.837 -1.014 1.00 0.00 C ATOM 728 C ASN A 45 13.865 -7.036 -2.491 1.00 0.00 C ATOM 729 O ASN A 45 14.153 -8.083 -3.071 1.00 0.00 O ATOM 730 CB ASN A 45 13.141 -7.509 -0.149 1.00 0.00 C ATOM 731 CG ASN A 45 11.784 -6.847 -0.383 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.699 -5.791 -1.008 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.708 -7.414 0.087 1.00 0.00 N ATOM 0 H ASN A 45 13.461 -4.883 -0.813 1.00 0.00 H new ATOM 0 HA ASN A 45 15.186 -7.293 -0.821 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.082 -8.571 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.413 -7.435 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.796 -6.982 -0.064 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.778 -8.290 0.605 1.00 0.00 H new ATOM 740 N ASN A 46 13.226 -6.026 -3.087 1.00 0.00 N ATOM 741 CA ASN A 46 12.815 -6.088 -4.495 1.00 0.00 C ATOM 742 C ASN A 46 11.588 -6.980 -4.631 1.00 0.00 C ATOM 743 O ASN A 46 11.678 -8.134 -5.053 1.00 0.00 O ATOM 744 CB ASN A 46 13.935 -6.623 -5.403 1.00 0.00 C ATOM 745 CG ASN A 46 15.252 -5.930 -5.064 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.082 -6.479 -4.341 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.492 -4.743 -5.549 1.00 0.00 N ATOM 0 H ASN A 46 12.981 -5.154 -2.617 1.00 0.00 H new ATOM 0 HA ASN A 46 12.584 -5.072 -4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.037 -7.700 -5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.681 -6.450 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.368 -4.270 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.803 -4.288 -6.149 1.00 0.00 H new ATOM 754 N ARG A 47 10.436 -6.428 -4.261 1.00 0.00 N ATOM 755 CA ARG A 47 9.184 -7.180 -4.336 1.00 0.00 C ATOM 756 C ARG A 47 7.994 -6.231 -4.229 1.00 0.00 C ATOM 757 O ARG A 47 8.134 -5.083 -3.810 1.00 0.00 O ATOM 758 CB ARG A 47 9.114 -8.218 -3.205 1.00 0.00 C ATOM 759 CG ARG A 47 9.288 -9.628 -3.782 1.00 0.00 C ATOM 760 CD ARG A 47 7.914 -10.245 -4.063 1.00 0.00 C ATOM 761 NE ARG A 47 7.931 -10.985 -5.322 1.00 0.00 N ATOM 762 CZ ARG A 47 7.463 -12.228 -5.392 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.389 -12.560 -4.729 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.078 -13.117 -6.125 1.00 0.00 N ATOM 0 H ARG A 47 10.341 -5.475 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 47 9.150 -7.696 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.891 -8.019 -2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.157 -8.142 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.873 -9.586 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.841 -10.253 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.635 -10.911 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.159 -9.460 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 47 8.307 -10.542 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.908 -11.866 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.031 -13.513 -4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.917 -12.858 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.719 -14.070 -6.179 1.00 0.00 H new ATOM 778 N GLN A 48 6.821 -6.724 -4.620 1.00 0.00 N ATOM 779 CA GLN A 48 5.608 -5.909 -4.574 1.00 0.00 C ATOM 780 C GLN A 48 4.882 -6.086 -3.241 1.00 0.00 C ATOM 781 O GLN A 48 4.728 -7.205 -2.750 1.00 0.00 O ATOM 782 CB GLN A 48 4.662 -6.300 -5.712 1.00 0.00 C ATOM 783 CG GLN A 48 3.495 -5.312 -5.777 1.00 0.00 C ATOM 784 CD GLN A 48 2.320 -5.962 -6.499 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.462 -6.448 -7.620 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.152 -6.000 -5.916 1.00 0.00 N ATOM 0 H GLN A 48 6.684 -7.673 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 48 5.904 -4.866 -4.683 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.200 -6.304 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.286 -7.311 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.199 -5.016 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.800 -4.405 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.033 -5.597 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.359 -6.432 -6.390 1.00 0.00 H new ATOM 795 N VAL A 49 4.434 -4.971 -2.658 1.00 0.00 N ATOM 796 CA VAL A 49 3.720 -5.038 -1.378 1.00 0.00 C ATOM 797 C VAL A 49 2.623 -3.984 -1.302 1.00 0.00 C ATOM 798 O VAL A 49 2.688 -2.950 -1.962 1.00 0.00 O ATOM 799 CB VAL A 49 4.670 -4.812 -0.199 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.575 -6.029 -0.024 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.523 -3.567 -0.457 1.00 0.00 C ATOM 0 H VAL A 49 4.548 -4.032 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 49 3.284 -6.035 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 49 4.086 -4.667 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.249 -5.863 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.965 -6.911 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.158 -6.182 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.198 -3.408 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.104 -3.707 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.874 -2.698 -0.570 1.00 0.00 H new ATOM 811 N CYS A 50 1.626 -4.251 -0.463 1.00 0.00 N ATOM 812 CA CYS A 50 0.530 -3.311 -0.275 1.00 0.00 C ATOM 813 C CYS A 50 0.885 -2.362 0.861 1.00 0.00 C ATOM 814 O CYS A 50 1.139 -2.796 1.985 1.00 0.00 O ATOM 815 CB CYS A 50 -0.763 -4.053 0.071 1.00 0.00 C ATOM 816 SG CYS A 50 -1.132 -5.259 -1.229 1.00 0.00 S ATOM 0 H CYS A 50 1.556 -5.104 0.092 1.00 0.00 H new ATOM 0 HA CYS A 50 0.375 -2.755 -1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.660 -4.558 1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.586 -3.345 0.170 1.00 0.00 H new ATOM 821 N ILE A 51 0.924 -1.068 0.562 1.00 0.00 N ATOM 822 CA ILE A 51 1.277 -0.090 1.586 1.00 0.00 C ATOM 823 C ILE A 51 0.045 0.366 2.347 1.00 0.00 C ATOM 824 O ILE A 51 -1.066 0.384 1.817 1.00 0.00 O ATOM 825 CB ILE A 51 1.984 1.121 0.976 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.158 0.642 0.125 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.520 2.012 2.097 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.774 1.828 -0.610 1.00 0.00 C ATOM 0 H ILE A 51 0.721 -0.678 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 51 1.961 -0.579 2.280 1.00 0.00 H new ATOM 0 HB ILE A 51 1.280 1.681 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.907 0.164 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.820 -0.107 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.025 2.876 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.692 2.349 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.226 1.446 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.612 1.485 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.024 2.287 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.128 2.561 0.115 1.00 0.00 H new ATOM 840 N ASP A 52 0.258 0.715 3.611 1.00 0.00 N ATOM 841 CA ASP A 52 -0.835 1.150 4.467 1.00 0.00 C ATOM 842 C ASP A 52 -1.204 2.608 4.168 1.00 0.00 C ATOM 843 O ASP A 52 -0.324 3.439 3.941 1.00 0.00 O ATOM 844 CB ASP A 52 -0.428 1.023 5.943 1.00 0.00 C ATOM 845 CG ASP A 52 -1.567 0.401 6.744 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.877 -0.754 6.499 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.114 1.088 7.592 1.00 0.00 O ATOM 0 H ASP A 52 1.173 0.705 4.062 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.699 0.516 4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.468 0.408 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.182 2.005 6.347 1.00 0.00 H new ATOM 852 N PRO A 53 -2.505 2.947 4.169 1.00 0.00 N ATOM 853 CA PRO A 53 -2.955 4.327 3.897 1.00 0.00 C ATOM 854 C PRO A 53 -2.733 5.261 5.086 1.00 0.00 C ATOM 855 O PRO A 53 -2.723 6.483 4.936 1.00 0.00 O ATOM 856 CB PRO A 53 -4.441 4.154 3.610 1.00 0.00 C ATOM 857 CG PRO A 53 -4.874 2.864 4.285 1.00 0.00 C ATOM 858 CD PRO A 53 -3.621 2.002 4.445 1.00 0.00 C ATOM 0 HA PRO A 53 -2.400 4.788 3.080 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.010 5.001 3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.624 4.108 2.536 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.327 3.069 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.624 2.348 3.685 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.550 1.581 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.619 1.165 3.747 1.00 0.00 H new ATOM 866 N LYS A 54 -2.552 4.676 6.270 1.00 0.00 N ATOM 867 CA LYS A 54 -2.329 5.472 7.472 1.00 0.00 C ATOM 868 C LYS A 54 -0.835 5.708 7.716 1.00 0.00 C ATOM 869 O LYS A 54 -0.443 6.149 8.796 1.00 0.00 O ATOM 870 CB LYS A 54 -2.927 4.770 8.693 1.00 0.00 C ATOM 871 CG LYS A 54 -4.379 5.220 8.881 1.00 0.00 C ATOM 872 CD LYS A 54 -4.918 4.666 10.202 1.00 0.00 C ATOM 873 CE LYS A 54 -6.449 4.660 10.168 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.932 3.309 9.763 1.00 0.00 N ATOM 0 H LYS A 54 -2.555 3.667 6.420 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.817 6.435 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.884 3.689 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.344 5.006 9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.437 6.308 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.991 4.868 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.544 3.655 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.565 5.274 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.846 4.921 11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.811 5.412 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.972 3.305 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.564 3.077 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.598 2.601 10.448 1.00 0.00 H new ATOM 888 N LEU A 55 0.000 5.426 6.711 1.00 0.00 N ATOM 889 CA LEU A 55 1.438 5.635 6.863 1.00 0.00 C ATOM 890 C LEU A 55 1.728 7.125 6.982 1.00 0.00 C ATOM 891 O LEU A 55 0.885 7.958 6.660 1.00 0.00 O ATOM 892 CB LEU A 55 2.196 5.051 5.673 1.00 0.00 C ATOM 893 CG LEU A 55 2.710 3.652 6.029 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.358 3.012 4.799 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.740 3.747 7.164 1.00 0.00 C ATOM 0 H LEU A 55 -0.289 5.060 5.804 1.00 0.00 H new ATOM 0 HA LEU A 55 1.772 5.126 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.542 4.999 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.031 5.699 5.407 1.00 0.00 H new ATOM 0 HG LEU A 55 1.872 3.037 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.722 2.017 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.622 2.933 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.192 3.629 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.101 2.749 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.578 4.367 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.273 4.193 8.042 1.00 0.00 H new ATOM 907 N LYS A 56 2.918 7.451 7.471 1.00 0.00 N ATOM 908 CA LYS A 56 3.291 8.846 7.654 1.00 0.00 C ATOM 909 C LYS A 56 3.788 9.466 6.358 1.00 0.00 C ATOM 910 O LYS A 56 3.525 10.638 6.085 1.00 0.00 O ATOM 911 CB LYS A 56 4.367 8.992 8.736 1.00 0.00 C ATOM 912 CG LYS A 56 5.546 8.062 8.437 1.00 0.00 C ATOM 913 CD LYS A 56 6.740 8.462 9.304 1.00 0.00 C ATOM 914 CE LYS A 56 7.899 7.493 9.059 1.00 0.00 C ATOM 915 NZ LYS A 56 8.824 7.519 10.226 1.00 0.00 N ATOM 0 H LYS A 56 3.633 6.777 7.745 1.00 0.00 H new ATOM 0 HA LYS A 56 2.392 9.376 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.711 10.025 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.946 8.755 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.267 7.027 8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.812 8.122 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.048 9.481 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.458 8.449 10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.517 6.484 8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.434 7.772 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.612 6.861 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.198 8.481 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.309 7.233 11.083 1.00 0.00 H new ATOM 929 N TRP A 57 4.499 8.682 5.552 1.00 0.00 N ATOM 930 CA TRP A 57 4.998 9.212 4.293 1.00 0.00 C ATOM 931 C TRP A 57 3.916 9.121 3.227 1.00 0.00 C ATOM 932 O TRP A 57 3.744 10.043 2.427 1.00 0.00 O ATOM 933 CB TRP A 57 6.284 8.512 3.839 1.00 0.00 C ATOM 934 CG TRP A 57 6.059 7.073 3.500 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.101 6.039 4.375 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.787 6.495 2.196 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.905 4.861 3.675 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.699 5.093 2.332 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.617 7.051 0.920 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.456 4.269 1.236 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.362 6.226 -0.188 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.283 4.835 -0.030 1.00 0.00 C ATOM 0 H TRP A 57 4.736 7.708 5.741 1.00 0.00 H new ATOM 0 HA TRP A 57 5.254 10.260 4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.688 9.029 2.969 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.032 8.584 4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.261 6.120 5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.912 3.934 4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.683 8.121 0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.402 3.198 1.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.226 6.665 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.089 4.203 -0.884 1.00 0.00 H new ATOM 953 N ILE A 58 3.150 8.031 3.246 1.00 0.00 N ATOM 954 CA ILE A 58 2.060 7.898 2.294 1.00 0.00 C ATOM 955 C ILE A 58 0.949 8.890 2.668 1.00 0.00 C ATOM 956 O ILE A 58 0.142 9.267 1.828 1.00 0.00 O ATOM 957 CB ILE A 58 1.523 6.446 2.237 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.521 5.615 1.383 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.090 6.402 1.638 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.825 4.504 0.579 1.00 0.00 C ATOM 0 H ILE A 58 3.262 7.250 3.892 1.00 0.00 H new ATOM 0 HA ILE A 58 2.431 8.129 1.296 1.00 0.00 H new ATOM 0 HB ILE A 58 1.449 6.028 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.048 6.279 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.271 5.170 2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.261 5.371 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.581 6.997 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.106 6.807 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.567 3.954 0.000 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.320 3.822 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.094 4.948 -0.097 1.00 0.00 H new ATOM 972 N GLN A 59 0.917 9.312 3.936 1.00 0.00 N ATOM 973 CA GLN A 59 -0.091 10.259 4.386 1.00 0.00 C ATOM 974 C GLN A 59 0.058 11.565 3.595 1.00 0.00 C ATOM 975 O GLN A 59 -0.902 12.067 3.014 1.00 0.00 O ATOM 976 CB GLN A 59 0.053 10.451 5.925 1.00 0.00 C ATOM 977 CG GLN A 59 -0.164 11.901 6.389 1.00 0.00 C ATOM 978 CD GLN A 59 -1.541 12.392 5.953 1.00 0.00 C ATOM 979 OE1 GLN A 59 -2.462 11.596 5.770 1.00 0.00 O ATOM 980 NE2 GLN A 59 -1.738 13.670 5.775 1.00 0.00 N ATOM 0 H GLN A 59 1.573 9.013 4.657 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.099 9.889 4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.664 9.805 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.047 10.125 6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.075 11.961 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.609 12.545 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.975 14.330 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.655 14.009 5.484 1.00 0.00 H new ATOM 989 N GLU A 60 1.277 12.084 3.561 1.00 0.00 N ATOM 990 CA GLU A 60 1.544 13.310 2.812 1.00 0.00 C ATOM 991 C GLU A 60 1.280 13.075 1.321 1.00 0.00 C ATOM 992 O GLU A 60 0.883 13.984 0.593 1.00 0.00 O ATOM 993 CB GLU A 60 2.998 13.754 3.003 1.00 0.00 C ATOM 994 CG GLU A 60 3.075 14.789 4.125 1.00 0.00 C ATOM 995 CD GLU A 60 4.442 15.466 4.102 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.425 14.777 4.321 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.485 16.662 3.866 1.00 0.00 O ATOM 0 H GLU A 60 2.088 11.685 4.034 1.00 0.00 H new ATOM 0 HA GLU A 60 0.883 14.092 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.623 12.894 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.384 14.178 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.287 15.532 4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.912 14.308 5.089 1.00 0.00 H new ATOM 1004 N TYR A 61 1.500 11.833 0.888 1.00 0.00 N ATOM 1005 CA TYR A 61 1.285 11.451 -0.506 1.00 0.00 C ATOM 1006 C TYR A 61 -0.212 11.475 -0.822 1.00 0.00 C ATOM 1007 O TYR A 61 -0.669 12.199 -1.708 1.00 0.00 O ATOM 1008 CB TYR A 61 1.876 10.036 -0.731 1.00 0.00 C ATOM 1009 CG TYR A 61 1.282 9.334 -1.941 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.041 10.036 -3.128 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.967 7.976 -1.853 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.487 9.372 -4.229 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.412 7.313 -2.949 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.171 8.010 -4.141 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.377 7.355 -5.224 1.00 0.00 O ATOM 0 H TYR A 61 1.828 11.074 1.485 1.00 0.00 H new ATOM 0 HA TYR A 61 1.783 12.155 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.956 10.114 -0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.701 9.429 0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.282 11.087 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.153 7.438 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.303 9.910 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.168 6.263 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.534 6.416 -4.993 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.959 10.670 -0.087 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.397 10.590 -0.284 1.00 0.00 C ATOM 1027 C LEU A 62 -3.055 11.939 0.010 1.00 0.00 C ATOM 1028 O LEU A 62 -4.142 12.236 -0.488 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.980 9.517 0.641 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.954 8.630 -0.139 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.167 7.666 -1.028 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -4.812 7.828 0.845 1.00 0.00 C ATOM 0 H LEU A 62 -0.596 10.064 0.649 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.596 10.326 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.177 8.910 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.494 9.987 1.479 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.597 9.255 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.861 7.035 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.554 8.234 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.525 7.041 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.506 7.196 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.168 7.204 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.373 8.513 1.481 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.384 12.752 0.825 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.913 14.066 1.180 1.00 0.00 C ATOM 1046 C GLU A 63 -2.757 15.045 0.017 1.00 0.00 C ATOM 1047 O GLU A 63 -3.587 15.934 -0.174 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.181 14.628 2.402 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.887 15.898 2.884 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.883 16.799 3.596 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.293 16.348 4.564 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -1.719 17.928 3.163 1.00 0.00 O ATOM 0 H GLU A 63 -1.483 12.527 1.247 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.971 13.945 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.161 13.886 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.145 14.850 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.328 16.425 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.703 15.639 3.559 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.685 14.879 -0.755 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.441 15.766 -1.891 1.00 0.00 C ATOM 1061 C LYS A 64 -2.193 15.281 -3.128 1.00 0.00 C ATOM 1062 O LYS A 64 -2.569 16.075 -3.992 1.00 0.00 O ATOM 1063 CB LYS A 64 0.059 15.857 -2.206 1.00 0.00 C ATOM 1064 CG LYS A 64 0.617 14.471 -2.546 1.00 0.00 C ATOM 1065 CD LYS A 64 1.951 14.623 -3.280 1.00 0.00 C ATOM 1066 CE LYS A 64 1.705 14.639 -4.789 1.00 0.00 C ATOM 1067 NZ LYS A 64 0.987 15.889 -5.164 1.00 0.00 N ATOM 0 H LYS A 64 -0.982 14.152 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.805 16.757 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.221 16.537 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.593 16.271 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.756 13.890 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.092 13.924 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.445 15.545 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.618 13.801 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.653 14.578 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.118 13.768 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.042 16.026 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.010 15.816 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.427 16.700 -4.683 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.412 13.970 -3.207 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.125 13.398 -4.346 1.00 0.00 C ATOM 1083 C ALA A 65 -4.592 13.148 -3.999 1.00 0.00 C ATOM 1084 O ALA A 65 -5.249 12.308 -4.615 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.482 12.075 -4.768 1.00 0.00 C ATOM 0 H ALA A 65 -2.111 13.292 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.067 14.113 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.025 11.661 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.444 12.249 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.519 11.371 -3.937 1.00 0.00 H new ATOM 1091 N LEU A 66 -5.102 13.886 -3.011 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.497 13.734 -2.593 1.00 0.00 C ATOM 1093 C LEU A 66 -6.737 12.337 -2.026 1.00 0.00 C ATOM 1094 O LEU A 66 -6.304 11.336 -2.594 1.00 0.00 O ATOM 1095 CB LEU A 66 -7.446 13.965 -3.775 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.729 14.639 -3.281 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -8.500 16.148 -3.165 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.860 14.371 -4.277 1.00 0.00 C ATOM 0 H LEU A 66 -4.576 14.588 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.696 14.478 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.962 14.589 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.684 13.015 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.999 14.236 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.413 16.629 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.693 16.340 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.231 16.551 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.774 14.850 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.589 14.775 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.023 13.297 -4.362 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.435 12.284 -0.896 1.00 0.00 N ATOM 1111 CA ASN A 67 -7.729 11.005 -0.254 1.00 0.00 C ATOM 1112 C ASN A 67 -8.669 10.178 -1.124 1.00 0.00 C ATOM 1113 O ASN A 67 -9.523 10.768 -1.766 1.00 0.00 O ATOM 1114 CB ASN A 67 -8.381 11.227 1.112 1.00 0.00 C ATOM 1115 CG ASN A 67 -7.980 10.099 2.058 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -7.812 8.956 1.634 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -7.814 10.356 3.326 1.00 0.00 N ATOM 1118 OXT ASN A 67 -8.522 8.967 -1.136 1.00 0.00 O ATOM 0 H ASN A 67 -7.804 13.101 -0.410 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.788 10.470 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.071 12.188 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.466 11.260 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.545 9.609 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.953 11.304 3.677 1.00 0.00 H new TER 1125 ASN A 67