USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 842 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 29 LYS NZ :NH3+ 144:sc= -0.21 (180deg=-0.655) USER MOD Set 1.2: A 74 CYS SG : rot -24:sc= -0.205 USER MOD Single : A 1 SER N :NH3+ 179:sc= 1.15 (180deg=1.11) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.0397 (180deg=-0.209) USER MOD Single : A 7 CYS SG : rot 160:sc= -1.82! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -132:sc= -5.95! (180deg=-9.98!) USER MOD Single : A 11 SER OG : rot -93:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= 1.13 (180deg=-0.218) USER MOD Single : A 17 GLN : amide:sc= 0.0411 K(o=0.041,f=-0.87) USER MOD Single : A 19 SER OG : rot -18:sc= 0.841 USER MOD Single : A 23 ASN : amide:sc= -6.19! C(o=-6.2!,f=-9.1!) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0127) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.3 K(o=-1.3,f=-1.8!) USER MOD Single : A 39 SER OG : rot -39:sc= 1.08 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.224 K(o=-0.22,f=-5.4!) USER MOD Single : A 58 THR OG1 : rot -31:sc= -0.015 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 1.57 (180deg=1.13) USER MOD Single : A 62 SER OG : rot 180:sc= -0.261 USER MOD Single : A 63 THR OG1 : rot 173:sc= 0.18 USER MOD Single : A 70 TYR OH : rot -21:sc= 0.984 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 73 SER OG : rot -58:sc= 1.26 USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0.674 (180deg=0.655) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= 1.39 (180deg=0.5) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0264 F(o=-1.3!,f=-0.026) USER MOD Single : B 201 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0674) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0725 USER MOD Single : B 208 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.19) USER MOD Single : B 210 LYS NZ :NH3+ -171:sc=-0.00526 (180deg=-0.114) USER MOD Single : B 211 TYR OH : rot 93:sc= 0.0431 USER MOD Single : B 213 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.997 2.821 8.559 1.00 0.00 N ATOM 2 CA SER A 1 -19.098 2.244 7.537 1.00 0.00 C ATOM 3 C SER A 1 -19.555 2.627 6.134 1.00 0.00 C ATOM 4 O SER A 1 -18.974 2.197 5.137 1.00 0.00 O ATOM 5 CB SER A 1 -19.070 0.723 7.688 1.00 0.00 C ATOM 6 OG SER A 1 -18.624 0.357 8.983 1.00 0.00 O ATOM 0 H1 SER A 1 -19.676 2.533 9.506 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.982 3.859 8.489 1.00 0.00 H new ATOM 0 H3 SER A 1 -20.966 2.478 8.403 1.00 0.00 H new ATOM 0 HA SER A 1 -18.094 2.643 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 1 -20.066 0.317 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.412 0.290 6.935 1.00 0.00 H new ATOM 0 HG SER A 1 -18.614 -0.620 9.062 1.00 0.00 H new ATOM 14 N GLU A 2 -20.587 3.452 6.065 1.00 0.00 N ATOM 15 CA GLU A 2 -21.192 3.816 4.794 1.00 0.00 C ATOM 16 C GLU A 2 -20.294 4.770 4.015 1.00 0.00 C ATOM 17 O GLU A 2 -20.286 4.759 2.787 1.00 0.00 O ATOM 18 CB GLU A 2 -22.569 4.453 5.010 1.00 0.00 C ATOM 19 CG GLU A 2 -23.560 3.569 5.760 1.00 0.00 C ATOM 20 CD GLU A 2 -23.283 3.503 7.248 1.00 0.00 C ATOM 21 OE1 GLU A 2 -22.593 2.558 7.695 1.00 0.00 O ATOM 22 OE2 GLU A 2 -23.733 4.409 7.978 1.00 0.00 O ATOM 0 H GLU A 2 -21.025 3.884 6.878 1.00 0.00 H new ATOM 0 HA GLU A 2 -21.315 2.903 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.443 5.385 5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.993 4.711 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.570 3.947 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -23.527 2.562 5.345 1.00 0.00 H new ATOM 29 N GLU A 3 -19.531 5.586 4.733 1.00 0.00 N ATOM 30 CA GLU A 3 -18.656 6.566 4.105 1.00 0.00 C ATOM 31 C GLU A 3 -17.459 5.859 3.475 1.00 0.00 C ATOM 32 O GLU A 3 -17.187 6.016 2.283 1.00 0.00 O ATOM 33 CB GLU A 3 -18.193 7.591 5.155 1.00 0.00 C ATOM 34 CG GLU A 3 -17.631 8.890 4.585 1.00 0.00 C ATOM 35 CD GLU A 3 -16.285 8.719 3.910 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.203 8.938 2.685 1.00 0.00 O ATOM 37 OE2 GLU A 3 -15.306 8.362 4.600 1.00 0.00 O ATOM 0 H GLU A 3 -19.501 5.587 5.753 1.00 0.00 H new ATOM 0 HA GLU A 3 -19.198 7.093 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -19.036 7.831 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -17.431 7.127 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.340 9.299 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.536 9.620 5.389 1.00 0.00 H new ATOM 44 N GLU A 4 -16.770 5.054 4.276 1.00 0.00 N ATOM 45 CA GLU A 4 -15.578 4.343 3.816 1.00 0.00 C ATOM 46 C GLU A 4 -15.900 3.371 2.678 1.00 0.00 C ATOM 47 O GLU A 4 -15.091 3.183 1.768 1.00 0.00 O ATOM 48 CB GLU A 4 -14.909 3.601 4.981 1.00 0.00 C ATOM 49 CG GLU A 4 -15.834 2.650 5.724 1.00 0.00 C ATOM 50 CD GLU A 4 -15.142 1.941 6.867 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.942 2.571 7.927 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.807 0.749 6.712 1.00 0.00 O ATOM 0 H GLU A 4 -17.015 4.876 5.250 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.883 5.088 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.058 3.038 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.516 4.333 5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.688 3.207 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.225 1.910 5.026 1.00 0.00 H new ATOM 59 N ASP A 5 -17.085 2.770 2.715 1.00 0.00 N ATOM 60 CA ASP A 5 -17.485 1.830 1.670 1.00 0.00 C ATOM 61 C ASP A 5 -18.136 2.545 0.492 1.00 0.00 C ATOM 62 O ASP A 5 -18.518 1.914 -0.493 1.00 0.00 O ATOM 63 CB ASP A 5 -18.414 0.743 2.218 1.00 0.00 C ATOM 64 CG ASP A 5 -17.646 -0.451 2.745 1.00 0.00 C ATOM 65 OD1 ASP A 5 -17.406 -0.521 3.969 1.00 0.00 O ATOM 66 OD2 ASP A 5 -17.264 -1.324 1.937 1.00 0.00 O ATOM 0 H ASP A 5 -17.779 2.914 3.448 1.00 0.00 H new ATOM 0 HA ASP A 5 -16.575 1.348 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.027 1.160 3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.094 0.417 1.431 1.00 0.00 H new ATOM 71 N LYS A 6 -18.257 3.864 0.585 1.00 0.00 N ATOM 72 CA LYS A 6 -18.765 4.653 -0.526 1.00 0.00 C ATOM 73 C LYS A 6 -17.594 5.274 -1.277 1.00 0.00 C ATOM 74 O LYS A 6 -17.759 5.849 -2.352 1.00 0.00 O ATOM 75 CB LYS A 6 -19.714 5.746 -0.027 1.00 0.00 C ATOM 76 CG LYS A 6 -20.458 6.465 -1.141 1.00 0.00 C ATOM 77 CD LYS A 6 -21.340 7.574 -0.599 1.00 0.00 C ATOM 78 CE LYS A 6 -22.125 8.257 -1.708 1.00 0.00 C ATOM 79 NZ LYS A 6 -21.236 8.825 -2.757 1.00 0.00 N ATOM 0 H LYS A 6 -18.011 4.405 1.414 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.325 4.002 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.439 5.302 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.143 6.476 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.741 6.882 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.069 5.750 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.031 7.163 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.724 8.310 -0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.808 7.539 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.736 9.053 -1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -21.788 9.450 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.473 9.370 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.825 8.053 -3.319 1.00 0.00 H new ATOM 93 N CYS A 7 -16.411 5.146 -0.688 1.00 0.00 N ATOM 94 CA CYS A 7 -15.191 5.686 -1.272 1.00 0.00 C ATOM 95 C CYS A 7 -14.989 5.130 -2.677 1.00 0.00 C ATOM 96 O CYS A 7 -15.117 3.924 -2.906 1.00 0.00 O ATOM 97 CB CYS A 7 -13.984 5.341 -0.391 1.00 0.00 C ATOM 98 SG CYS A 7 -12.546 6.402 -0.664 1.00 0.00 S ATOM 0 H CYS A 7 -16.271 4.668 0.202 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.283 6.770 -1.333 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.280 5.410 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.698 4.305 -0.574 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.757 6.338 0.367 1.00 0.00 H new ATOM 104 N LYS A 8 -14.688 6.026 -3.603 1.00 0.00 N ATOM 105 CA LYS A 8 -14.528 5.686 -5.004 1.00 0.00 C ATOM 106 C LYS A 8 -13.385 4.693 -5.208 1.00 0.00 C ATOM 107 O LYS A 8 -12.381 4.721 -4.497 1.00 0.00 O ATOM 108 CB LYS A 8 -14.296 6.977 -5.799 1.00 0.00 C ATOM 109 CG LYS A 8 -13.282 6.861 -6.923 1.00 0.00 C ATOM 110 CD LYS A 8 -13.145 8.166 -7.681 1.00 0.00 C ATOM 111 CE LYS A 8 -12.645 9.287 -6.781 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.473 10.565 -7.516 1.00 0.00 N ATOM 0 H LYS A 8 -14.547 7.016 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.433 5.197 -5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.247 7.304 -6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.967 7.756 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.314 6.573 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.586 6.070 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.455 8.033 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.109 8.443 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.349 9.433 -5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.694 8.996 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.131 11.298 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.782 10.435 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.385 10.859 -7.919 1.00 0.00 H new ATOM 126 N PRO A 9 -13.539 3.803 -6.195 1.00 0.00 N ATOM 127 CA PRO A 9 -12.536 2.788 -6.516 1.00 0.00 C ATOM 128 C PRO A 9 -11.230 3.417 -6.967 1.00 0.00 C ATOM 129 O PRO A 9 -11.223 4.417 -7.692 1.00 0.00 O ATOM 130 CB PRO A 9 -13.174 1.988 -7.659 1.00 0.00 C ATOM 131 CG PRO A 9 -14.205 2.897 -8.238 1.00 0.00 C ATOM 132 CD PRO A 9 -14.698 3.743 -7.098 1.00 0.00 C ATOM 0 HA PRO A 9 -12.283 2.172 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.432 1.707 -8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.623 1.065 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.780 3.516 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.021 2.328 -8.683 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.998 4.736 -7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.565 3.296 -6.611 1.00 0.00 H new ATOM 140 N MET A 10 -10.131 2.852 -6.506 1.00 0.00 N ATOM 141 CA MET A 10 -8.819 3.339 -6.862 1.00 0.00 C ATOM 142 C MET A 10 -8.488 2.923 -8.290 1.00 0.00 C ATOM 143 O MET A 10 -8.379 1.731 -8.586 1.00 0.00 O ATOM 144 CB MET A 10 -7.766 2.817 -5.888 1.00 0.00 C ATOM 145 CG MET A 10 -6.439 3.535 -6.029 1.00 0.00 C ATOM 146 SD MET A 10 -6.480 5.217 -5.387 1.00 0.00 S ATOM 147 CE MET A 10 -5.912 4.988 -3.711 1.00 0.00 C ATOM 0 H MET A 10 -10.125 2.048 -5.878 1.00 0.00 H new ATOM 0 HA MET A 10 -8.817 4.427 -6.802 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.131 2.932 -4.867 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.618 1.750 -6.055 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.669 2.970 -5.504 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.155 3.560 -7.081 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.579 5.511 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.906 3.925 -3.471 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.903 5.388 -3.611 1.00 0.00 H new ATOM 157 N SER A 11 -8.353 3.906 -9.173 1.00 0.00 N ATOM 158 CA SER A 11 -8.119 3.642 -10.587 1.00 0.00 C ATOM 159 C SER A 11 -6.689 3.160 -10.822 1.00 0.00 C ATOM 160 O SER A 11 -5.880 3.146 -9.896 1.00 0.00 O ATOM 161 CB SER A 11 -8.402 4.907 -11.407 1.00 0.00 C ATOM 162 OG SER A 11 -7.597 5.991 -10.970 1.00 0.00 O ATOM 0 H SER A 11 -8.402 4.896 -8.933 1.00 0.00 H new ATOM 0 HA SER A 11 -8.796 2.851 -10.910 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.211 4.710 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.455 5.173 -11.318 1.00 0.00 H new ATOM 0 HG SER A 11 -8.089 6.516 -10.304 1.00 0.00 H new ATOM 168 N TYR A 12 -6.380 2.779 -12.060 1.00 0.00 N ATOM 169 CA TYR A 12 -5.067 2.225 -12.389 1.00 0.00 C ATOM 170 C TYR A 12 -3.941 3.169 -11.998 1.00 0.00 C ATOM 171 O TYR A 12 -3.049 2.801 -11.233 1.00 0.00 O ATOM 172 CB TYR A 12 -4.957 1.916 -13.888 1.00 0.00 C ATOM 173 CG TYR A 12 -3.520 1.742 -14.347 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.674 0.847 -13.709 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.006 2.491 -15.397 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.361 0.700 -14.097 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.690 2.348 -15.797 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.871 1.453 -15.143 1.00 0.00 C ATOM 179 OH TYR A 12 0.444 1.311 -15.534 1.00 0.00 O ATOM 0 H TYR A 12 -7.020 2.843 -12.852 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.968 1.302 -11.817 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.517 1.008 -14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.420 2.723 -14.456 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.053 0.253 -12.891 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.644 3.196 -15.909 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.719 -0.001 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.306 2.935 -16.618 1.00 0.00 H new ATOM 0 HH TYR A 12 0.629 1.913 -16.285 1.00 0.00 H new ATOM 189 N GLU A 13 -3.980 4.373 -12.534 1.00 0.00 N ATOM 190 CA GLU A 13 -2.916 5.338 -12.317 1.00 0.00 C ATOM 191 C GLU A 13 -2.821 5.728 -10.849 1.00 0.00 C ATOM 192 O GLU A 13 -1.784 6.211 -10.393 1.00 0.00 O ATOM 193 CB GLU A 13 -3.140 6.564 -13.196 1.00 0.00 C ATOM 194 CG GLU A 13 -3.037 6.253 -14.677 1.00 0.00 C ATOM 195 CD GLU A 13 -3.423 7.432 -15.543 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.669 8.427 -15.566 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.479 7.370 -16.211 1.00 0.00 O ATOM 0 H GLU A 13 -4.740 4.709 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.967 4.878 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.124 6.982 -12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.407 7.329 -12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.016 5.952 -14.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.681 5.406 -14.913 1.00 0.00 H new ATOM 204 N GLU A 14 -3.891 5.485 -10.108 1.00 0.00 N ATOM 205 CA GLU A 14 -3.886 5.733 -8.683 1.00 0.00 C ATOM 206 C GLU A 14 -3.266 4.543 -7.970 1.00 0.00 C ATOM 207 O GLU A 14 -2.415 4.707 -7.110 1.00 0.00 O ATOM 208 CB GLU A 14 -5.300 5.974 -8.167 1.00 0.00 C ATOM 209 CG GLU A 14 -5.914 7.298 -8.579 1.00 0.00 C ATOM 210 CD GLU A 14 -7.319 7.479 -8.029 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.484 8.190 -7.014 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.268 6.908 -8.614 1.00 0.00 O ATOM 0 H GLU A 14 -4.770 5.117 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.298 6.629 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.942 5.167 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.288 5.919 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.281 8.114 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.941 7.360 -9.667 1.00 0.00 H new ATOM 219 N LYS A 15 -3.711 3.346 -8.341 1.00 0.00 N ATOM 220 CA LYS A 15 -3.140 2.109 -7.847 1.00 0.00 C ATOM 221 C LYS A 15 -1.637 2.047 -8.067 1.00 0.00 C ATOM 222 O LYS A 15 -0.877 1.763 -7.143 1.00 0.00 O ATOM 223 CB LYS A 15 -3.790 0.919 -8.534 1.00 0.00 C ATOM 224 CG LYS A 15 -5.176 0.599 -8.012 1.00 0.00 C ATOM 225 CD LYS A 15 -5.585 -0.803 -8.411 1.00 0.00 C ATOM 226 CE LYS A 15 -6.814 -1.280 -7.663 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.431 -2.450 -8.337 1.00 0.00 N ATOM 0 H LYS A 15 -4.481 3.212 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.331 2.075 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.851 1.117 -9.604 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.152 0.044 -8.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.192 0.693 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.894 1.319 -8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.782 -0.830 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.759 -1.488 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.541 -1.547 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.540 -0.470 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.763 -3.127 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.236 -2.133 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.726 -2.910 -8.948 1.00 0.00 H new ATOM 241 N ARG A 16 -1.221 2.291 -9.302 1.00 0.00 N ATOM 242 CA ARG A 16 0.192 2.299 -9.639 1.00 0.00 C ATOM 243 C ARG A 16 0.931 3.318 -8.802 1.00 0.00 C ATOM 244 O ARG A 16 1.980 3.008 -8.234 1.00 0.00 O ATOM 245 CB ARG A 16 0.394 2.573 -11.137 1.00 0.00 C ATOM 246 CG ARG A 16 1.669 3.348 -11.457 1.00 0.00 C ATOM 247 CD ARG A 16 2.002 3.321 -12.934 1.00 0.00 C ATOM 248 NE ARG A 16 3.058 4.273 -13.266 1.00 0.00 N ATOM 249 CZ ARG A 16 3.770 4.230 -14.387 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.525 3.298 -15.301 1.00 0.00 N ATOM 251 NH2 ARG A 16 4.725 5.127 -14.600 1.00 0.00 N ATOM 0 H ARG A 16 -1.844 2.486 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 16 0.602 1.313 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.414 1.623 -11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.463 3.132 -11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.555 4.382 -11.131 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.500 2.926 -10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.315 2.316 -13.218 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.108 3.552 -13.513 1.00 0.00 H new ATOM 0 HE ARG A 16 3.261 5.016 -12.597 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.787 2.611 -15.144 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.074 3.269 -16.160 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.912 5.848 -13.903 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.272 5.095 -15.460 1.00 0.00 H new ATOM 265 N GLN A 17 0.380 4.518 -8.688 1.00 0.00 N ATOM 266 CA GLN A 17 1.042 5.522 -7.900 1.00 0.00 C ATOM 267 C GLN A 17 1.029 5.108 -6.437 1.00 0.00 C ATOM 268 O GLN A 17 2.016 5.278 -5.747 1.00 0.00 O ATOM 269 CB GLN A 17 0.436 6.918 -8.117 1.00 0.00 C ATOM 270 CG GLN A 17 1.268 8.014 -7.487 1.00 0.00 C ATOM 271 CD GLN A 17 2.682 8.044 -8.026 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.923 7.743 -9.198 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.634 8.372 -7.171 1.00 0.00 N ATOM 0 H GLN A 17 -0.498 4.806 -9.121 1.00 0.00 H new ATOM 0 HA GLN A 17 2.079 5.597 -8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.341 7.107 -9.186 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.570 6.943 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.792 8.978 -7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.296 7.870 -6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.395 8.615 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.608 8.382 -7.472 1.00 0.00 H new ATOM 282 N LEU A 18 -0.059 4.485 -6.008 1.00 0.00 N ATOM 283 CA LEU A 18 -0.218 4.027 -4.636 1.00 0.00 C ATOM 284 C LEU A 18 0.849 3.029 -4.263 1.00 0.00 C ATOM 285 O LEU A 18 1.506 3.177 -3.239 1.00 0.00 O ATOM 286 CB LEU A 18 -1.593 3.401 -4.417 1.00 0.00 C ATOM 287 CG LEU A 18 -2.525 4.152 -3.462 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.948 3.286 -2.295 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.883 5.420 -2.938 1.00 0.00 C ATOM 0 H LEU A 18 -0.860 4.282 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.121 4.904 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.089 3.313 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.454 2.389 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.409 4.417 -4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.608 3.855 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.474 2.407 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.066 2.972 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.574 5.926 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.969 5.169 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.643 6.078 -3.773 1.00 0.00 H new ATOM 301 N SER A 19 1.022 2.010 -5.096 1.00 0.00 N ATOM 302 CA SER A 19 2.045 1.015 -4.847 1.00 0.00 C ATOM 303 C SER A 19 3.411 1.691 -4.766 1.00 0.00 C ATOM 304 O SER A 19 4.315 1.222 -4.074 1.00 0.00 O ATOM 305 CB SER A 19 2.031 -0.070 -5.926 1.00 0.00 C ATOM 306 OG SER A 19 2.257 0.462 -7.223 1.00 0.00 O ATOM 0 H SER A 19 0.471 1.856 -5.940 1.00 0.00 H new ATOM 0 HA SER A 19 1.837 0.528 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.796 -0.813 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.071 -0.585 -5.909 1.00 0.00 H new ATOM 0 HG SER A 19 2.098 1.429 -7.212 1.00 0.00 H new ATOM 312 N LEU A 20 3.533 2.815 -5.467 1.00 0.00 N ATOM 313 CA LEU A 20 4.741 3.633 -5.416 1.00 0.00 C ATOM 314 C LEU A 20 4.809 4.487 -4.135 1.00 0.00 C ATOM 315 O LEU A 20 5.813 4.451 -3.429 1.00 0.00 O ATOM 316 CB LEU A 20 4.829 4.524 -6.660 1.00 0.00 C ATOM 317 CG LEU A 20 5.013 3.784 -7.985 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.953 4.751 -9.160 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.327 3.030 -7.983 1.00 0.00 C ATOM 0 H LEU A 20 2.805 3.182 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 20 5.595 2.956 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.921 5.124 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.661 5.217 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 20 4.198 3.069 -8.096 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.087 4.201 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.985 5.252 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.745 5.494 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.448 2.507 -8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.149 3.733 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.331 2.307 -7.167 1.00 0.00 H new ATOM 331 N ASP A 21 3.760 5.262 -3.837 1.00 0.00 N ATOM 332 CA ASP A 21 3.716 6.067 -2.626 1.00 0.00 C ATOM 333 C ASP A 21 3.958 5.195 -1.402 1.00 0.00 C ATOM 334 O ASP A 21 4.667 5.574 -0.467 1.00 0.00 O ATOM 335 CB ASP A 21 2.390 6.791 -2.481 1.00 0.00 C ATOM 336 CG ASP A 21 1.762 7.263 -3.773 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.597 6.917 -4.037 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.420 8.039 -4.504 1.00 0.00 O ATOM 0 H ASP A 21 2.930 5.344 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 21 4.505 6.815 -2.703 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.687 6.128 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.536 7.654 -1.832 1.00 0.00 H new ATOM 343 N ILE A 22 3.385 4.007 -1.443 1.00 0.00 N ATOM 344 CA ILE A 22 3.540 3.030 -0.378 1.00 0.00 C ATOM 345 C ILE A 22 4.977 2.513 -0.309 1.00 0.00 C ATOM 346 O ILE A 22 5.524 2.325 0.774 1.00 0.00 O ATOM 347 CB ILE A 22 2.554 1.856 -0.553 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.116 2.325 -0.318 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.887 0.722 0.396 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.079 1.361 -0.843 1.00 0.00 C ATOM 0 H ILE A 22 2.798 3.690 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 22 3.312 3.531 0.563 1.00 0.00 H new ATOM 0 HB ILE A 22 2.646 1.491 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.959 2.470 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.975 3.295 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.177 -0.093 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.897 0.364 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.827 1.079 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.918 1.755 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.211 1.234 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.194 0.397 -0.347 1.00 0.00 H new ATOM 362 N ASN A 23 5.596 2.315 -1.464 1.00 0.00 N ATOM 363 CA ASN A 23 6.960 1.796 -1.504 1.00 0.00 C ATOM 364 C ASN A 23 7.977 2.886 -1.161 1.00 0.00 C ATOM 365 O ASN A 23 9.136 2.588 -0.871 1.00 0.00 O ATOM 366 CB ASN A 23 7.271 1.156 -2.870 1.00 0.00 C ATOM 367 CG ASN A 23 8.033 2.056 -3.838 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.451 2.747 -4.666 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.348 2.029 -3.755 1.00 0.00 N ATOM 0 H ASN A 23 5.183 2.503 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 23 7.041 1.017 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.851 0.248 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.333 0.855 -3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.911 2.594 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.803 1.443 -3.055 1.00 0.00 H new ATOM 376 N LYS A 24 7.546 4.147 -1.202 1.00 0.00 N ATOM 377 CA LYS A 24 8.397 5.261 -0.790 1.00 0.00 C ATOM 378 C LYS A 24 8.649 5.225 0.704 1.00 0.00 C ATOM 379 O LYS A 24 9.715 5.634 1.172 1.00 0.00 O ATOM 380 CB LYS A 24 7.763 6.597 -1.139 1.00 0.00 C ATOM 381 CG LYS A 24 7.687 6.864 -2.621 1.00 0.00 C ATOM 382 CD LYS A 24 6.959 8.161 -2.895 1.00 0.00 C ATOM 383 CE LYS A 24 6.590 8.301 -4.353 1.00 0.00 C ATOM 384 NZ LYS A 24 7.792 8.352 -5.226 1.00 0.00 N ATOM 0 H LYS A 24 6.615 4.421 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 24 9.340 5.156 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.757 6.632 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.334 7.395 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.693 6.911 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.173 6.041 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.056 8.207 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.587 9.000 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.961 7.462 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.001 9.207 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.502 8.550 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.430 9.104 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.286 7.438 -5.190 1.00 0.00 H new ATOM 398 N LEU A 25 7.653 4.755 1.445 1.00 0.00 N ATOM 399 CA LEU A 25 7.747 4.665 2.888 1.00 0.00 C ATOM 400 C LEU A 25 8.956 3.843 3.301 1.00 0.00 C ATOM 401 O LEU A 25 9.345 2.901 2.611 1.00 0.00 O ATOM 402 CB LEU A 25 6.503 4.000 3.463 1.00 0.00 C ATOM 403 CG LEU A 25 5.163 4.520 2.967 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.064 3.622 3.488 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.932 5.950 3.430 1.00 0.00 C ATOM 0 H LEU A 25 6.766 4.429 1.062 1.00 0.00 H new ATOM 0 HA LEU A 25 7.842 5.680 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.556 2.933 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.530 4.107 4.547 1.00 0.00 H new ATOM 0 HG LEU A 25 5.160 4.515 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.099 3.987 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.221 2.606 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.078 3.624 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.967 6.300 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.940 5.986 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.723 6.591 3.040 1.00 0.00 H new ATOM 417 N PRO A 26 9.583 4.217 4.416 1.00 0.00 N ATOM 418 CA PRO A 26 10.596 3.378 5.046 1.00 0.00 C ATOM 419 C PRO A 26 10.006 2.023 5.438 1.00 0.00 C ATOM 420 O PRO A 26 8.800 1.933 5.683 1.00 0.00 O ATOM 421 CB PRO A 26 11.019 4.155 6.297 1.00 0.00 C ATOM 422 CG PRO A 26 10.458 5.537 6.154 1.00 0.00 C ATOM 423 CD PRO A 26 9.372 5.495 5.110 1.00 0.00 C ATOM 0 HA PRO A 26 11.433 3.174 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.639 3.674 7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.105 4.185 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.058 5.886 7.106 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.240 6.237 5.861 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.382 5.542 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.448 6.338 4.423 1.00 0.00 H new ATOM 431 N GLY A 27 10.843 0.987 5.492 1.00 0.00 N ATOM 432 CA GLY A 27 10.370 -0.377 5.747 1.00 0.00 C ATOM 433 C GLY A 27 9.351 -0.476 6.870 1.00 0.00 C ATOM 434 O GLY A 27 8.314 -1.125 6.718 1.00 0.00 O ATOM 0 H GLY A 27 11.852 1.064 5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.929 -0.775 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.225 -1.008 5.989 1.00 0.00 H new ATOM 438 N GLU A 28 9.644 0.191 7.985 1.00 0.00 N ATOM 439 CA GLU A 28 8.757 0.226 9.147 1.00 0.00 C ATOM 440 C GLU A 28 7.339 0.645 8.757 1.00 0.00 C ATOM 441 O GLU A 28 6.351 0.068 9.215 1.00 0.00 O ATOM 442 CB GLU A 28 9.310 1.219 10.175 1.00 0.00 C ATOM 443 CG GLU A 28 8.469 1.339 11.431 1.00 0.00 C ATOM 444 CD GLU A 28 8.520 0.091 12.282 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.395 0.007 13.167 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.690 -0.813 12.073 1.00 0.00 O ATOM 0 H GLU A 28 10.505 0.724 8.109 1.00 0.00 H new ATOM 0 HA GLU A 28 8.712 -0.777 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.319 0.914 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.391 2.201 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.817 2.189 12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.435 1.544 11.154 1.00 0.00 H new ATOM 453 N LYS A 29 7.248 1.638 7.888 1.00 0.00 N ATOM 454 CA LYS A 29 5.971 2.221 7.522 1.00 0.00 C ATOM 455 C LYS A 29 5.188 1.318 6.575 1.00 0.00 C ATOM 456 O LYS A 29 3.960 1.350 6.555 1.00 0.00 O ATOM 457 CB LYS A 29 6.166 3.606 6.905 1.00 0.00 C ATOM 458 CG LYS A 29 6.396 4.750 7.913 1.00 0.00 C ATOM 459 CD LYS A 29 5.727 4.545 9.270 1.00 0.00 C ATOM 460 CE LYS A 29 6.035 5.717 10.188 1.00 0.00 C ATOM 461 NZ LYS A 29 5.925 7.026 9.484 1.00 0.00 N ATOM 0 H LYS A 29 8.051 2.059 7.421 1.00 0.00 H new ATOM 0 HA LYS A 29 5.386 2.325 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.017 3.566 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.289 3.845 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.468 4.872 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.028 5.679 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.649 4.448 9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.079 3.617 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.349 5.703 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.042 5.606 10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.540 7.739 10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.866 7.326 9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.291 6.928 8.665 1.00 0.00 H new ATOM 475 N LEU A 30 5.872 0.480 5.808 1.00 0.00 N ATOM 476 CA LEU A 30 5.157 -0.489 4.990 1.00 0.00 C ATOM 477 C LEU A 30 4.581 -1.586 5.880 1.00 0.00 C ATOM 478 O LEU A 30 3.715 -2.350 5.461 1.00 0.00 O ATOM 479 CB LEU A 30 6.027 -1.095 3.888 1.00 0.00 C ATOM 480 CG LEU A 30 6.419 -0.160 2.750 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.877 0.223 2.847 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.145 -0.816 1.408 1.00 0.00 C ATOM 0 H LEU A 30 6.889 0.450 5.735 1.00 0.00 H new ATOM 0 HA LEU A 30 4.349 0.043 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.939 -1.480 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.498 -1.948 3.464 1.00 0.00 H new ATOM 0 HG LEU A 30 5.816 0.744 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.133 0.891 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.058 0.729 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.493 -0.674 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.430 -0.136 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.725 -1.736 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.083 -1.048 1.327 1.00 0.00 H new ATOM 494 N GLY A 31 5.049 -1.635 7.125 1.00 0.00 N ATOM 495 CA GLY A 31 4.473 -2.540 8.103 1.00 0.00 C ATOM 496 C GLY A 31 3.043 -2.162 8.435 1.00 0.00 C ATOM 497 O GLY A 31 2.279 -2.960 8.976 1.00 0.00 O ATOM 0 H GLY A 31 5.818 -1.063 7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.501 -3.559 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.075 -2.526 9.012 1.00 0.00 H new ATOM 501 N ARG A 32 2.689 -0.933 8.101 1.00 0.00 N ATOM 502 CA ARG A 32 1.329 -0.440 8.278 1.00 0.00 C ATOM 503 C ARG A 32 0.420 -0.895 7.139 1.00 0.00 C ATOM 504 O ARG A 32 -0.640 -1.462 7.383 1.00 0.00 O ATOM 505 CB ARG A 32 1.331 1.080 8.358 1.00 0.00 C ATOM 506 CG ARG A 32 -0.042 1.707 8.153 1.00 0.00 C ATOM 507 CD ARG A 32 -0.639 2.188 9.461 1.00 0.00 C ATOM 508 NE ARG A 32 0.259 3.092 10.178 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.123 4.243 10.730 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.389 4.641 10.652 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.764 4.997 11.363 1.00 0.00 N ATOM 0 H ARG A 32 3.331 -0.249 7.701 1.00 0.00 H new ATOM 0 HA ARG A 32 0.942 -0.854 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.717 1.383 9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.016 1.473 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.040 2.545 7.460 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.710 0.978 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.582 2.697 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.867 1.329 10.092 1.00 0.00 H new ATOM 0 HE ARG A 32 1.240 2.825 10.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.076 4.064 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.673 5.523 11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.736 4.696 11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.474 5.879 11.786 1.00 0.00 H new ATOM 525 N VAL A 33 0.828 -0.634 5.898 1.00 0.00 N ATOM 526 CA VAL A 33 0.033 -1.029 4.734 1.00 0.00 C ATOM 527 C VAL A 33 -0.162 -2.530 4.689 1.00 0.00 C ATOM 528 O VAL A 33 -1.247 -2.994 4.365 1.00 0.00 O ATOM 529 CB VAL A 33 0.649 -0.551 3.407 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.310 0.908 3.166 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.148 -0.750 3.406 1.00 0.00 C ATOM 0 H VAL A 33 1.699 -0.154 5.672 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.935 -0.541 4.849 1.00 0.00 H new ATOM 0 HB VAL A 33 0.226 -1.148 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.752 1.233 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.772 1.027 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.707 1.513 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.560 -0.405 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.591 -0.181 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.375 -1.808 3.536 1.00 0.00 H new ATOM 541 N VAL A 34 0.873 -3.294 5.030 1.00 0.00 N ATOM 542 CA VAL A 34 0.724 -4.732 5.095 1.00 0.00 C ATOM 543 C VAL A 34 -0.304 -5.087 6.168 1.00 0.00 C ATOM 544 O VAL A 34 -1.144 -5.945 5.959 1.00 0.00 O ATOM 545 CB VAL A 34 2.058 -5.470 5.351 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.093 -5.093 4.306 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.586 -5.204 6.745 1.00 0.00 C ATOM 0 H VAL A 34 1.803 -2.944 5.260 1.00 0.00 H new ATOM 0 HA VAL A 34 0.376 -5.069 4.118 1.00 0.00 H new ATOM 0 HB VAL A 34 1.859 -6.539 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.023 -5.625 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.726 -5.365 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.274 -4.019 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.525 -5.740 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.756 -4.135 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.858 -5.546 7.481 1.00 0.00 H new ATOM 557 N HIS A 35 -0.265 -4.374 7.294 1.00 0.00 N ATOM 558 CA HIS A 35 -1.242 -4.571 8.360 1.00 0.00 C ATOM 559 C HIS A 35 -2.642 -4.223 7.868 1.00 0.00 C ATOM 560 O HIS A 35 -3.590 -4.972 8.103 1.00 0.00 O ATOM 561 CB HIS A 35 -0.874 -3.735 9.595 1.00 0.00 C ATOM 562 CG HIS A 35 -1.950 -3.679 10.643 1.00 0.00 C ATOM 563 ND1 HIS A 35 -2.143 -4.666 11.585 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.897 -2.743 10.888 1.00 0.00 C ATOM 565 CE1 HIS A 35 -3.161 -4.341 12.359 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.636 -3.179 11.957 1.00 0.00 N ATOM 0 H HIS A 35 0.433 -3.656 7.489 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.231 -5.622 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.032 -4.146 10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.640 -2.719 9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.043 -1.823 10.342 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.541 -4.928 13.182 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.425 -2.685 12.374 1.00 0.00 H new ATOM 575 N ILE A 36 -2.774 -3.086 7.187 1.00 0.00 N ATOM 576 CA ILE A 36 -4.055 -2.705 6.613 1.00 0.00 C ATOM 577 C ILE A 36 -4.516 -3.769 5.623 1.00 0.00 C ATOM 578 O ILE A 36 -5.535 -4.414 5.834 1.00 0.00 O ATOM 579 CB ILE A 36 -4.026 -1.338 5.888 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.794 -0.184 6.858 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.350 -1.137 5.173 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.422 1.111 6.170 1.00 0.00 C ATOM 0 H ILE A 36 -2.017 -2.422 7.023 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.747 -2.616 7.451 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.199 -1.344 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.697 -0.027 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.002 -0.458 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.343 -0.177 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.497 -1.937 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.162 -1.153 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.271 1.890 6.917 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.502 0.970 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.224 1.407 5.494 1.00 0.00 H new ATOM 594 N ILE A 37 -3.745 -3.959 4.559 1.00 0.00 N ATOM 595 CA ILE A 37 -4.090 -4.922 3.524 1.00 0.00 C ATOM 596 C ILE A 37 -4.389 -6.311 4.097 1.00 0.00 C ATOM 597 O ILE A 37 -5.443 -6.860 3.835 1.00 0.00 O ATOM 598 CB ILE A 37 -2.989 -5.029 2.462 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.044 -3.828 1.534 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.151 -6.304 1.670 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.711 -3.169 1.326 1.00 0.00 C ATOM 0 H ILE A 37 -2.874 -3.456 4.391 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.999 -4.546 3.054 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.020 -5.047 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.439 -4.143 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.742 -3.097 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.363 -6.368 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.084 -7.160 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.123 -6.305 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.826 -2.320 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.323 -2.823 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.015 -3.886 0.890 1.00 0.00 H new ATOM 613 N GLN A 38 -3.476 -6.863 4.891 1.00 0.00 N ATOM 614 CA GLN A 38 -3.636 -8.224 5.415 1.00 0.00 C ATOM 615 C GLN A 38 -4.917 -8.374 6.235 1.00 0.00 C ATOM 616 O GLN A 38 -5.591 -9.399 6.160 1.00 0.00 O ATOM 617 CB GLN A 38 -2.435 -8.609 6.280 1.00 0.00 C ATOM 618 CG GLN A 38 -1.175 -8.916 5.492 1.00 0.00 C ATOM 619 CD GLN A 38 0.069 -8.917 6.363 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.135 -8.234 7.384 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.068 -9.680 5.961 1.00 0.00 N ATOM 0 H GLN A 38 -2.620 -6.395 5.187 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.701 -8.891 4.555 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.226 -7.796 6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.697 -9.481 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.279 -9.889 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.058 -8.179 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.977 -10.233 5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.931 -9.717 6.503 1.00 0.00 H new ATOM 630 N SER A 39 -5.240 -7.357 7.023 1.00 0.00 N ATOM 631 CA SER A 39 -6.428 -7.388 7.852 1.00 0.00 C ATOM 632 C SER A 39 -7.686 -7.224 7.004 1.00 0.00 C ATOM 633 O SER A 39 -8.696 -7.902 7.220 1.00 0.00 O ATOM 634 CB SER A 39 -6.353 -6.284 8.910 1.00 0.00 C ATOM 635 OG SER A 39 -6.337 -4.996 8.320 1.00 0.00 O ATOM 0 H SER A 39 -4.692 -6.501 7.103 1.00 0.00 H new ATOM 0 HA SER A 39 -6.479 -8.356 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.206 -6.366 9.583 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.456 -6.419 9.515 1.00 0.00 H new ATOM 0 HG SER A 39 -5.786 -5.014 7.509 1.00 0.00 H new ATOM 641 N ARG A 40 -7.611 -6.323 6.034 1.00 0.00 N ATOM 642 CA ARG A 40 -8.737 -6.029 5.162 1.00 0.00 C ATOM 643 C ARG A 40 -8.910 -7.124 4.115 1.00 0.00 C ATOM 644 O ARG A 40 -10.008 -7.345 3.609 1.00 0.00 O ATOM 645 CB ARG A 40 -8.536 -4.670 4.479 1.00 0.00 C ATOM 646 CG ARG A 40 -8.332 -3.517 5.454 1.00 0.00 C ATOM 647 CD ARG A 40 -9.206 -2.330 5.107 1.00 0.00 C ATOM 648 NE ARG A 40 -10.628 -2.664 5.169 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.607 -1.762 5.143 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.322 -0.469 5.048 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.870 -2.153 5.223 1.00 0.00 N ATOM 0 H ARG A 40 -6.773 -5.779 5.831 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.641 -5.990 5.770 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.672 -4.731 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.403 -4.456 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.558 -3.852 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.285 -3.213 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.995 -1.511 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.959 -1.978 4.106 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.886 -3.649 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.350 -0.164 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.075 0.219 5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.093 -3.145 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.620 -1.462 5.203 1.00 0.00 H new ATOM 665 N GLU A 41 -7.814 -7.800 3.799 1.00 0.00 N ATOM 666 CA GLU A 41 -7.804 -8.873 2.815 1.00 0.00 C ATOM 667 C GLU A 41 -7.323 -10.171 3.463 1.00 0.00 C ATOM 668 O GLU A 41 -6.152 -10.541 3.332 1.00 0.00 O ATOM 669 CB GLU A 41 -6.874 -8.518 1.655 1.00 0.00 C ATOM 670 CG GLU A 41 -7.063 -7.111 1.113 1.00 0.00 C ATOM 671 CD GLU A 41 -8.367 -6.938 0.363 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.994 -5.864 0.491 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.780 -7.873 -0.351 1.00 0.00 O ATOM 0 H GLU A 41 -6.903 -7.619 4.220 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.818 -9.006 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.841 -8.633 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.032 -9.231 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.028 -6.401 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.233 -6.868 0.449 1.00 0.00 H new ATOM 680 N PRO A 42 -8.215 -10.878 4.178 1.00 0.00 N ATOM 681 CA PRO A 42 -7.867 -12.112 4.907 1.00 0.00 C ATOM 682 C PRO A 42 -7.264 -13.217 4.029 1.00 0.00 C ATOM 683 O PRO A 42 -6.792 -14.233 4.540 1.00 0.00 O ATOM 684 CB PRO A 42 -9.207 -12.581 5.480 1.00 0.00 C ATOM 685 CG PRO A 42 -10.048 -11.356 5.541 1.00 0.00 C ATOM 686 CD PRO A 42 -9.632 -10.510 4.371 1.00 0.00 C ATOM 0 HA PRO A 42 -7.096 -11.908 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.663 -13.342 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.081 -13.023 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.107 -11.607 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.896 -10.825 6.480 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.229 -10.726 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.747 -9.447 4.581 1.00 0.00 H new ATOM 694 N SER A 43 -7.261 -13.014 2.721 1.00 0.00 N ATOM 695 CA SER A 43 -6.776 -14.029 1.796 1.00 0.00 C ATOM 696 C SER A 43 -5.255 -13.975 1.660 1.00 0.00 C ATOM 697 O SER A 43 -4.641 -14.896 1.122 1.00 0.00 O ATOM 698 CB SER A 43 -7.430 -13.848 0.416 1.00 0.00 C ATOM 699 OG SER A 43 -8.844 -13.796 0.529 1.00 0.00 O ATOM 0 H SER A 43 -7.588 -12.157 2.275 1.00 0.00 H new ATOM 0 HA SER A 43 -7.048 -15.004 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.064 -12.932 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.143 -14.672 -0.238 1.00 0.00 H new ATOM 0 HG SER A 43 -9.239 -13.679 -0.360 1.00 0.00 H new ATOM 705 N LEU A 44 -4.634 -12.910 2.156 1.00 0.00 N ATOM 706 CA LEU A 44 -3.200 -12.751 1.974 1.00 0.00 C ATOM 707 C LEU A 44 -2.448 -12.648 3.296 1.00 0.00 C ATOM 708 O LEU A 44 -1.288 -12.237 3.325 1.00 0.00 O ATOM 709 CB LEU A 44 -2.898 -11.553 1.069 1.00 0.00 C ATOM 710 CG LEU A 44 -3.490 -10.219 1.492 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.575 -9.519 2.472 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.739 -9.353 0.271 1.00 0.00 C ATOM 0 H LEU A 44 -5.091 -12.160 2.676 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.839 -13.655 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.816 -11.440 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.258 -11.783 0.066 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.443 -10.397 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.015 -8.566 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.443 -10.143 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.607 -9.343 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.163 -8.399 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.797 -9.179 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.435 -9.859 -0.398 1.00 0.00 H new ATOM 724 N LYS A 45 -3.078 -13.060 4.388 1.00 0.00 N ATOM 725 CA LYS A 45 -2.373 -13.119 5.667 1.00 0.00 C ATOM 726 C LYS A 45 -1.453 -14.334 5.721 1.00 0.00 C ATOM 727 O LYS A 45 -0.863 -14.640 6.757 1.00 0.00 O ATOM 728 CB LYS A 45 -3.322 -13.072 6.868 1.00 0.00 C ATOM 729 CG LYS A 45 -4.529 -13.960 6.754 1.00 0.00 C ATOM 730 CD LYS A 45 -5.605 -13.517 7.723 1.00 0.00 C ATOM 731 CE LYS A 45 -5.223 -13.812 9.166 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.293 -13.417 10.118 1.00 0.00 N ATOM 0 H LYS A 45 -4.055 -13.353 4.419 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.757 -12.222 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.766 -13.351 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.657 -12.044 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.914 -13.931 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.249 -14.993 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.782 -12.448 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.540 -14.023 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.015 -14.876 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.304 -13.281 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.992 -13.635 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.474 -12.396 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.163 -13.942 9.899 1.00 0.00 H new ATOM 746 N ASN A 46 -1.343 -15.028 4.590 1.00 0.00 N ATOM 747 CA ASN A 46 -0.367 -16.098 4.438 1.00 0.00 C ATOM 748 C ASN A 46 1.002 -15.497 4.132 1.00 0.00 C ATOM 749 O ASN A 46 2.035 -16.139 4.323 1.00 0.00 O ATOM 750 CB ASN A 46 -0.768 -17.066 3.316 1.00 0.00 C ATOM 751 CG ASN A 46 -2.172 -17.616 3.480 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.408 -18.520 4.285 1.00 0.00 O ATOM 753 ND2 ASN A 46 -3.107 -17.109 2.688 1.00 0.00 N ATOM 0 H ASN A 46 -1.921 -14.866 3.765 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.328 -16.660 5.371 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.695 -16.552 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.060 -17.895 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.061 -17.467 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.872 -16.361 2.035 1.00 0.00 H new ATOM 760 N SER A 47 0.994 -14.259 3.649 1.00 0.00 N ATOM 761 CA SER A 47 2.222 -13.522 3.391 1.00 0.00 C ATOM 762 C SER A 47 2.718 -12.872 4.676 1.00 0.00 C ATOM 763 O SER A 47 1.999 -12.101 5.303 1.00 0.00 O ATOM 764 CB SER A 47 1.978 -12.457 2.317 1.00 0.00 C ATOM 765 OG SER A 47 1.523 -13.048 1.114 1.00 0.00 O ATOM 0 H SER A 47 0.142 -13.743 3.427 1.00 0.00 H new ATOM 0 HA SER A 47 2.984 -14.214 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.242 -11.737 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.899 -11.905 2.130 1.00 0.00 H new ATOM 0 HG SER A 47 1.372 -12.350 0.443 1.00 0.00 H new ATOM 771 N ASN A 48 3.935 -13.203 5.072 1.00 0.00 N ATOM 772 CA ASN A 48 4.534 -12.636 6.280 1.00 0.00 C ATOM 773 C ASN A 48 5.049 -11.234 5.964 1.00 0.00 C ATOM 774 O ASN A 48 5.620 -11.018 4.907 1.00 0.00 O ATOM 775 CB ASN A 48 5.690 -13.521 6.766 1.00 0.00 C ATOM 776 CG ASN A 48 5.497 -14.017 8.189 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.854 -13.362 9.013 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.057 -15.177 8.490 1.00 0.00 N ATOM 0 H ASN A 48 4.534 -13.863 4.576 1.00 0.00 H new ATOM 0 HA ASN A 48 3.784 -12.585 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.791 -14.377 6.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.622 -12.958 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.965 -15.559 9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.581 -15.689 7.781 1.00 0.00 H new ATOM 785 N PRO A 49 4.839 -10.257 6.878 1.00 0.00 N ATOM 786 CA PRO A 49 5.114 -8.824 6.615 1.00 0.00 C ATOM 787 C PRO A 49 6.538 -8.516 6.151 1.00 0.00 C ATOM 788 O PRO A 49 6.754 -7.511 5.480 1.00 0.00 O ATOM 789 CB PRO A 49 4.847 -8.154 7.966 1.00 0.00 C ATOM 790 CG PRO A 49 3.911 -9.075 8.668 1.00 0.00 C ATOM 791 CD PRO A 49 4.317 -10.459 8.250 1.00 0.00 C ATOM 0 HA PRO A 49 4.493 -8.468 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.770 -8.021 8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.407 -7.165 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.981 -8.956 9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.877 -8.869 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.076 -10.874 8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.472 -11.148 8.262 1.00 0.00 H new ATOM 799 N ASP A 50 7.497 -9.361 6.505 1.00 0.00 N ATOM 800 CA ASP A 50 8.887 -9.137 6.102 1.00 0.00 C ATOM 801 C ASP A 50 9.162 -9.741 4.731 1.00 0.00 C ATOM 802 O ASP A 50 10.150 -9.410 4.081 1.00 0.00 O ATOM 803 CB ASP A 50 9.861 -9.715 7.134 1.00 0.00 C ATOM 804 CG ASP A 50 9.825 -8.969 8.450 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.591 -7.996 8.605 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.030 -9.351 9.333 1.00 0.00 O ATOM 0 H ASP A 50 7.345 -10.200 7.064 1.00 0.00 H new ATOM 0 HA ASP A 50 9.042 -8.059 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.620 -10.764 7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.873 -9.684 6.730 1.00 0.00 H new ATOM 811 N GLU A 51 8.268 -10.613 4.299 1.00 0.00 N ATOM 812 CA GLU A 51 8.377 -11.278 3.009 1.00 0.00 C ATOM 813 C GLU A 51 7.090 -11.071 2.231 1.00 0.00 C ATOM 814 O GLU A 51 6.691 -11.894 1.407 1.00 0.00 O ATOM 815 CB GLU A 51 8.661 -12.766 3.197 1.00 0.00 C ATOM 816 CG GLU A 51 10.100 -13.059 3.571 1.00 0.00 C ATOM 817 CD GLU A 51 11.058 -12.746 2.444 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.770 -11.728 2.524 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.101 -13.525 1.469 1.00 0.00 O ATOM 0 H GLU A 51 7.442 -10.882 4.834 1.00 0.00 H new ATOM 0 HA GLU A 51 9.207 -10.848 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.004 -13.159 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.418 -13.295 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.372 -12.474 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.196 -14.109 3.846 1.00 0.00 H new ATOM 826 N ILE A 52 6.450 -9.954 2.528 1.00 0.00 N ATOM 827 CA ILE A 52 5.126 -9.638 2.024 1.00 0.00 C ATOM 828 C ILE A 52 5.110 -9.499 0.500 1.00 0.00 C ATOM 829 O ILE A 52 6.079 -9.041 -0.112 1.00 0.00 O ATOM 830 CB ILE A 52 4.623 -8.321 2.664 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.159 -8.066 2.332 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.441 -7.164 2.156 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.208 -9.136 2.800 1.00 0.00 C ATOM 0 H ILE A 52 6.840 -9.232 3.134 1.00 0.00 H new ATOM 0 HA ILE A 52 4.468 -10.464 2.292 1.00 0.00 H new ATOM 0 HB ILE A 52 4.727 -8.416 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.861 -7.116 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.060 -7.959 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.084 -6.239 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.488 -7.316 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.344 -7.098 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.190 -8.867 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.473 -10.086 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.271 -9.230 3.884 1.00 0.00 H new ATOM 845 N GLU A 53 4.012 -9.923 -0.104 1.00 0.00 N ATOM 846 CA GLU A 53 3.753 -9.644 -1.502 1.00 0.00 C ATOM 847 C GLU A 53 2.286 -9.253 -1.650 1.00 0.00 C ATOM 848 O GLU A 53 1.406 -10.112 -1.734 1.00 0.00 O ATOM 849 CB GLU A 53 4.072 -10.868 -2.366 1.00 0.00 C ATOM 850 CG GLU A 53 4.229 -10.550 -3.844 1.00 0.00 C ATOM 851 CD GLU A 53 4.277 -11.793 -4.702 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.316 -12.030 -5.349 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.275 -12.538 -4.734 1.00 0.00 O ATOM 0 H GLU A 53 3.282 -10.465 0.358 1.00 0.00 H new ATOM 0 HA GLU A 53 4.391 -8.827 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.991 -11.328 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.277 -11.604 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.399 -9.921 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.142 -9.974 -3.993 1.00 0.00 H new ATOM 860 N ILE A 54 2.031 -7.953 -1.674 1.00 0.00 N ATOM 861 CA ILE A 54 0.672 -7.437 -1.745 1.00 0.00 C ATOM 862 C ILE A 54 0.234 -7.337 -3.197 1.00 0.00 C ATOM 863 O ILE A 54 1.014 -6.944 -4.063 1.00 0.00 O ATOM 864 CB ILE A 54 0.548 -6.038 -1.082 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.942 -6.094 0.399 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.879 -5.510 -1.224 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.204 -4.734 1.009 1.00 0.00 C ATOM 0 H ILE A 54 2.752 -7.232 -1.645 1.00 0.00 H new ATOM 0 HA ILE A 54 0.031 -8.131 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 54 1.232 -5.360 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.147 -6.587 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.836 -6.709 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.952 -4.529 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.133 -5.427 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.571 -6.197 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.477 -4.852 2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.019 -4.246 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.305 -4.123 0.935 1.00 0.00 H new ATOM 879 N ASP A 55 -1.003 -7.709 -3.467 1.00 0.00 N ATOM 880 CA ASP A 55 -1.535 -7.586 -4.812 1.00 0.00 C ATOM 881 C ASP A 55 -2.588 -6.495 -4.859 1.00 0.00 C ATOM 882 O ASP A 55 -3.695 -6.649 -4.326 1.00 0.00 O ATOM 883 CB ASP A 55 -2.126 -8.902 -5.306 1.00 0.00 C ATOM 884 CG ASP A 55 -2.387 -8.860 -6.792 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.489 -9.248 -7.568 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.477 -8.417 -7.192 1.00 0.00 O ATOM 0 H ASP A 55 -1.653 -8.095 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.709 -7.322 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.442 -9.719 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.056 -9.107 -4.776 1.00 0.00 H new ATOM 891 N PHE A 56 -2.246 -5.402 -5.521 1.00 0.00 N ATOM 892 CA PHE A 56 -3.093 -4.225 -5.548 1.00 0.00 C ATOM 893 C PHE A 56 -4.368 -4.485 -6.336 1.00 0.00 C ATOM 894 O PHE A 56 -5.327 -3.718 -6.266 1.00 0.00 O ATOM 895 CB PHE A 56 -2.336 -3.041 -6.144 1.00 0.00 C ATOM 896 CG PHE A 56 -2.525 -1.809 -5.329 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.982 -1.735 -4.071 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.270 -0.747 -5.793 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.178 -0.629 -3.292 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.463 0.372 -5.006 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.913 0.414 -3.757 1.00 0.00 C ATOM 0 H PHE A 56 -1.379 -5.307 -6.051 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.372 -3.986 -4.522 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.274 -3.280 -6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.681 -2.862 -7.162 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.394 -2.558 -3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.707 -0.790 -6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.747 -0.584 -2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.043 1.205 -5.375 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.064 1.283 -3.134 1.00 0.00 H new ATOM 911 N GLU A 57 -4.377 -5.582 -7.067 1.00 0.00 N ATOM 912 CA GLU A 57 -5.502 -5.932 -7.898 1.00 0.00 C ATOM 913 C GLU A 57 -6.484 -6.830 -7.160 1.00 0.00 C ATOM 914 O GLU A 57 -7.588 -7.091 -7.642 1.00 0.00 O ATOM 915 CB GLU A 57 -4.999 -6.607 -9.165 1.00 0.00 C ATOM 916 CG GLU A 57 -4.206 -5.675 -10.056 1.00 0.00 C ATOM 917 CD GLU A 57 -5.070 -4.590 -10.668 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.405 -3.616 -9.962 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.419 -4.709 -11.862 1.00 0.00 O ATOM 0 H GLU A 57 -3.607 -6.250 -7.099 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.038 -5.020 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.376 -7.459 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.849 -6.999 -9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.406 -5.215 -9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.733 -6.251 -10.851 1.00 0.00 H new ATOM 926 N THR A 58 -6.091 -7.288 -5.986 1.00 0.00 N ATOM 927 CA THR A 58 -6.941 -8.162 -5.201 1.00 0.00 C ATOM 928 C THR A 58 -7.548 -7.409 -4.029 1.00 0.00 C ATOM 929 O THR A 58 -8.537 -7.846 -3.441 1.00 0.00 O ATOM 930 CB THR A 58 -6.159 -9.386 -4.692 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.086 -8.980 -3.833 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.597 -10.173 -5.859 1.00 0.00 C ATOM 0 H THR A 58 -5.192 -7.070 -5.557 1.00 0.00 H new ATOM 0 HA THR A 58 -7.744 -8.512 -5.849 1.00 0.00 H new ATOM 0 HB THR A 58 -6.847 -10.015 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.761 -8.098 -4.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.046 -11.036 -5.484 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.414 -10.512 -6.496 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.926 -9.537 -6.437 1.00 0.00 H new ATOM 940 N LEU A 59 -6.957 -6.268 -3.708 1.00 0.00 N ATOM 941 CA LEU A 59 -7.433 -5.442 -2.606 1.00 0.00 C ATOM 942 C LEU A 59 -8.777 -4.815 -2.946 1.00 0.00 C ATOM 943 O LEU A 59 -9.009 -4.396 -4.083 1.00 0.00 O ATOM 944 CB LEU A 59 -6.430 -4.334 -2.295 1.00 0.00 C ATOM 945 CG LEU A 59 -4.970 -4.776 -2.239 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.060 -3.594 -1.963 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.784 -5.836 -1.176 1.00 0.00 C ATOM 0 H LEU A 59 -6.144 -5.891 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.546 -6.085 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.528 -3.554 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.694 -3.885 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.703 -5.197 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.025 -3.933 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.173 -2.855 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.328 -3.144 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.738 -6.142 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.071 -5.432 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.408 -6.699 -1.409 1.00 0.00 H new ATOM 959 N LYS A 60 -9.662 -4.769 -1.967 1.00 0.00 N ATOM 960 CA LYS A 60 -10.939 -4.100 -2.121 1.00 0.00 C ATOM 961 C LYS A 60 -10.736 -2.581 -2.030 1.00 0.00 C ATOM 962 O LYS A 60 -9.850 -2.130 -1.299 1.00 0.00 O ATOM 963 CB LYS A 60 -11.905 -4.608 -1.045 1.00 0.00 C ATOM 964 CG LYS A 60 -11.603 -4.109 0.355 1.00 0.00 C ATOM 965 CD LYS A 60 -12.593 -4.657 1.371 1.00 0.00 C ATOM 966 CE LYS A 60 -12.685 -6.187 1.307 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.349 -6.830 1.372 1.00 0.00 N ATOM 0 H LYS A 60 -9.517 -5.191 -1.050 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.370 -4.321 -3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.918 -4.309 -1.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.885 -5.698 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.592 -4.403 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.633 -3.019 0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.292 -4.352 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.577 -4.226 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.301 -6.547 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.184 -6.481 0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.436 -7.836 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.706 -6.362 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.968 -6.743 2.336 1.00 0.00 H new ATOM 981 N PRO A 61 -11.507 -1.778 -2.810 1.00 0.00 N ATOM 982 CA PRO A 61 -11.408 -0.310 -2.837 1.00 0.00 C ATOM 983 C PRO A 61 -11.041 0.332 -1.498 1.00 0.00 C ATOM 984 O PRO A 61 -10.118 1.145 -1.429 1.00 0.00 O ATOM 985 CB PRO A 61 -12.816 0.108 -3.237 1.00 0.00 C ATOM 986 CG PRO A 61 -13.326 -0.995 -4.098 1.00 0.00 C ATOM 987 CD PRO A 61 -12.523 -2.240 -3.777 1.00 0.00 C ATOM 0 HA PRO A 61 -10.610 0.012 -3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.449 0.247 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.806 1.055 -3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.386 -1.166 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.224 -0.736 -5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.153 -3.021 -3.350 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.060 -2.657 -4.672 1.00 0.00 H new ATOM 995 N SER A 62 -11.761 -0.037 -0.446 1.00 0.00 N ATOM 996 CA SER A 62 -11.568 0.565 0.871 1.00 0.00 C ATOM 997 C SER A 62 -10.148 0.360 1.403 1.00 0.00 C ATOM 998 O SER A 62 -9.581 1.265 2.012 1.00 0.00 O ATOM 999 CB SER A 62 -12.598 0.018 1.855 1.00 0.00 C ATOM 1000 OG SER A 62 -12.764 -1.378 1.691 1.00 0.00 O ATOM 0 H SER A 62 -12.487 -0.753 -0.478 1.00 0.00 H new ATOM 0 HA SER A 62 -11.712 1.640 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.281 0.233 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.553 0.522 1.705 1.00 0.00 H new ATOM 0 HG SER A 62 -13.427 -1.706 2.333 1.00 0.00 H new ATOM 1006 N THR A 63 -9.570 -0.815 1.170 1.00 0.00 N ATOM 1007 CA THR A 63 -8.192 -1.067 1.575 1.00 0.00 C ATOM 1008 C THR A 63 -7.273 -0.123 0.827 1.00 0.00 C ATOM 1009 O THR A 63 -6.506 0.612 1.436 1.00 0.00 O ATOM 1010 CB THR A 63 -7.759 -2.524 1.297 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.838 -3.414 1.603 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.541 -2.910 2.124 1.00 0.00 C ATOM 0 H THR A 63 -10.029 -1.600 0.708 1.00 0.00 H new ATOM 0 HA THR A 63 -8.126 -0.901 2.650 1.00 0.00 H new ATOM 0 HB THR A 63 -7.496 -2.600 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.603 -4.322 1.320 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.264 -3.941 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.710 -2.250 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.776 -2.816 3.184 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.412 -0.110 -0.494 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.581 0.718 -1.366 1.00 0.00 C ATOM 1022 C LEU A 64 -6.676 2.186 -0.974 1.00 0.00 C ATOM 1023 O LEU A 64 -5.689 2.913 -1.006 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.024 0.531 -2.820 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.116 -0.916 -3.264 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.300 -1.082 -4.170 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.862 -1.329 -3.991 1.00 0.00 C ATOM 0 H LEU A 64 -8.103 -0.672 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.542 0.407 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.998 1.002 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.324 1.055 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.231 -1.548 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.369 -2.121 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.209 -0.806 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.183 -0.439 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.948 -2.370 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.726 -0.698 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.004 -1.217 -3.328 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.864 2.611 -0.585 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.074 3.994 -0.195 1.00 0.00 C ATOM 1041 C ARG A 65 -7.574 4.259 1.227 1.00 0.00 C ATOM 1042 O ARG A 65 -7.279 5.403 1.575 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.544 4.379 -0.340 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.041 4.357 -1.783 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.181 5.230 -2.688 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.836 5.519 -3.966 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.404 6.433 -4.839 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.447 7.290 -4.500 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.959 6.520 -6.042 1.00 0.00 N ATOM 0 H ARG A 65 -8.695 2.022 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.489 4.621 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.150 3.696 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.692 5.377 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.036 3.332 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.074 4.703 -1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.955 6.166 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.230 4.731 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.674 4.989 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.036 7.253 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.123 7.985 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.717 5.888 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.628 7.219 -6.707 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.468 3.213 2.046 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.852 3.358 3.362 1.00 0.00 C ATOM 1065 C GLU A 66 -5.353 3.492 3.200 1.00 0.00 C ATOM 1066 O GLU A 66 -4.722 4.354 3.809 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.142 2.160 4.269 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.410 2.276 5.105 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.033 3.660 5.071 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.390 4.622 5.544 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -10.181 3.787 4.590 1.00 0.00 O ATOM 0 H GLU A 66 -7.795 2.272 1.826 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.277 4.247 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.213 1.265 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.295 2.018 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.139 1.549 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.180 2.015 6.138 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.805 2.620 2.362 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.383 2.602 2.066 1.00 0.00 C ATOM 1080 C LEU A 67 -2.921 3.991 1.622 1.00 0.00 C ATOM 1081 O LEU A 67 -1.884 4.497 2.049 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.123 1.601 0.941 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.795 0.261 1.140 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.454 -0.688 0.014 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.418 -0.314 2.492 1.00 0.00 C ATOM 0 H LEU A 67 -5.339 1.904 1.869 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.832 2.313 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.466 2.031 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.048 1.446 0.848 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.876 0.403 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.950 -1.644 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.791 -0.265 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.375 -0.840 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.907 -1.279 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.337 -0.445 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.739 0.368 3.280 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.739 4.592 0.763 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.459 5.886 0.160 1.00 0.00 C ATOM 1099 C GLU A 68 -3.445 7.016 1.180 1.00 0.00 C ATOM 1100 O GLU A 68 -2.411 7.652 1.402 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.516 6.183 -0.886 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.270 7.458 -1.643 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.215 8.575 -1.259 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.395 8.525 -1.666 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.782 9.516 -0.566 1.00 0.00 O ATOM 0 H GLU A 68 -4.626 4.187 0.464 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.466 5.831 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.560 5.354 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.490 6.240 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.244 7.783 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.365 7.262 -2.711 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.615 7.270 1.775 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.780 8.297 2.810 1.00 0.00 C ATOM 1114 C ARG A 69 -3.712 8.146 3.879 1.00 0.00 C ATOM 1115 O ARG A 69 -3.302 9.117 4.525 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.169 8.179 3.429 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.403 9.147 4.559 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.488 8.643 5.496 1.00 0.00 C ATOM 1119 NE ARG A 69 -7.277 7.250 5.901 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.494 6.862 6.904 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.797 7.754 7.600 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.415 5.574 7.209 1.00 0.00 N ATOM 0 H ARG A 69 -5.475 6.769 1.553 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.673 9.282 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.919 8.346 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.310 7.162 3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.477 9.292 5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.689 10.119 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.520 9.275 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.457 8.733 5.006 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.766 6.525 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.860 8.745 7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.199 7.448 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.952 4.890 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.817 5.267 7.976 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.237 6.931 4.023 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.208 6.639 4.988 1.00 0.00 C ATOM 1138 C TYR A 70 -0.852 7.157 4.517 1.00 0.00 C ATOM 1139 O TYR A 70 -0.232 7.975 5.187 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.122 5.137 5.247 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.782 4.738 5.756 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.006 3.898 5.012 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.283 5.250 6.946 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.256 3.570 5.426 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.976 4.919 7.380 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.747 4.079 6.613 1.00 0.00 C ATOM 1147 OH TYR A 70 3.010 3.759 7.028 1.00 0.00 O ATOM 0 H TYR A 70 -3.550 6.126 3.480 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.473 7.146 5.916 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.885 4.849 5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.336 4.597 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.373 3.493 4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.893 5.917 7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.867 2.911 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.356 5.313 8.311 1.00 0.00 H new ATOM 0 HH TYR A 70 3.303 2.937 6.581 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.380 6.676 3.375 1.00 0.00 N ATOM 1158 CA VAL A 71 0.960 7.022 2.923 1.00 0.00 C ATOM 1159 C VAL A 71 1.070 8.491 2.622 1.00 0.00 C ATOM 1160 O VAL A 71 2.083 9.105 2.915 1.00 0.00 O ATOM 1161 CB VAL A 71 1.392 6.221 1.694 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.365 4.757 2.017 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.500 6.486 0.497 1.00 0.00 C ATOM 0 H VAL A 71 -0.896 6.054 2.753 1.00 0.00 H new ATOM 0 HA VAL A 71 1.629 6.767 3.745 1.00 0.00 H new ATOM 0 HB VAL A 71 2.402 6.537 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.673 4.185 1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.048 4.554 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.354 4.466 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.845 5.896 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.526 6.208 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.539 7.545 0.242 1.00 0.00 H new ATOM 1173 N THR A 72 0.019 9.065 2.075 1.00 0.00 N ATOM 1174 CA THR A 72 0.029 10.474 1.777 1.00 0.00 C ATOM 1175 C THR A 72 0.107 11.266 3.088 1.00 0.00 C ATOM 1176 O THR A 72 0.600 12.380 3.112 1.00 0.00 O ATOM 1177 CB THR A 72 -1.208 10.878 0.934 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.003 12.152 0.316 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.463 10.929 1.784 1.00 0.00 C ATOM 0 H THR A 72 -0.844 8.579 1.831 1.00 0.00 H new ATOM 0 HA THR A 72 0.906 10.708 1.174 1.00 0.00 H new ATOM 0 HB THR A 72 -1.338 10.118 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.793 12.390 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.312 11.215 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.647 9.947 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.333 11.661 2.581 1.00 0.00 H new ATOM 1187 N SER A 73 -0.316 10.657 4.197 1.00 0.00 N ATOM 1188 CA SER A 73 -0.194 11.303 5.493 1.00 0.00 C ATOM 1189 C SER A 73 1.269 11.285 5.946 1.00 0.00 C ATOM 1190 O SER A 73 1.725 12.171 6.672 1.00 0.00 O ATOM 1191 CB SER A 73 -1.086 10.607 6.526 1.00 0.00 C ATOM 1192 OG SER A 73 -0.403 9.552 7.186 1.00 0.00 O ATOM 0 H SER A 73 -0.740 9.730 4.219 1.00 0.00 H new ATOM 0 HA SER A 73 -0.523 12.338 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.427 11.336 7.262 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.974 10.212 6.032 1.00 0.00 H new ATOM 0 HG SER A 73 -0.087 8.902 6.524 1.00 0.00 H new ATOM 1198 N CYS A 74 1.999 10.271 5.489 1.00 0.00 N ATOM 1199 CA CYS A 74 3.392 10.083 5.865 1.00 0.00 C ATOM 1200 C CYS A 74 4.321 10.814 4.899 1.00 0.00 C ATOM 1201 O CYS A 74 5.340 11.376 5.296 1.00 0.00 O ATOM 1202 CB CYS A 74 3.703 8.585 5.875 1.00 0.00 C ATOM 1203 SG CYS A 74 5.345 8.151 6.496 1.00 0.00 S ATOM 0 H CYS A 74 1.641 9.561 4.850 1.00 0.00 H new ATOM 0 HA CYS A 74 3.556 10.500 6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.955 8.078 6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.602 8.201 4.860 1.00 0.00 H new ATOM 0 HG CYS A 74 6.148 9.162 6.343 1.00 0.00 H new ATOM 1209 N LEU A 75 3.958 10.788 3.631 1.00 0.00 N ATOM 1210 CA LEU A 75 4.750 11.411 2.575 1.00 0.00 C ATOM 1211 C LEU A 75 4.518 12.917 2.490 1.00 0.00 C ATOM 1212 O LEU A 75 5.476 13.682 2.387 1.00 0.00 O ATOM 1213 CB LEU A 75 4.424 10.749 1.242 1.00 0.00 C ATOM 1214 CG LEU A 75 4.488 9.231 1.286 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.908 8.638 0.013 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.913 8.755 1.503 1.00 0.00 C ATOM 0 H LEU A 75 3.106 10.336 3.299 1.00 0.00 H new ATOM 0 HA LEU A 75 5.803 11.266 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.425 11.053 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.120 11.112 0.486 1.00 0.00 H new ATOM 0 HG LEU A 75 3.888 8.888 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.962 7.550 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.868 8.946 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.478 8.992 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.932 7.666 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.543 9.108 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.288 9.149 2.448 1.00 0.00 H new ATOM 1228 N ARG A 76 3.252 13.351 2.527 1.00 0.00 N ATOM 1229 CA ARG A 76 2.947 14.778 2.502 1.00 0.00 C ATOM 1230 C ARG A 76 3.552 15.462 3.714 1.00 0.00 C ATOM 1231 O ARG A 76 3.893 16.637 3.651 1.00 0.00 O ATOM 1232 CB ARG A 76 1.445 15.059 2.470 1.00 0.00 C ATOM 1233 CG ARG A 76 0.742 14.592 1.208 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.646 15.197 1.104 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.607 16.658 1.055 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.688 17.431 0.991 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.896 16.885 0.956 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.555 18.751 0.959 1.00 0.00 N ATOM 0 H ARG A 76 2.436 12.741 2.574 1.00 0.00 H new ATOM 0 HA ARG A 76 3.380 15.174 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.980 14.576 3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.287 16.132 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.331 14.872 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.670 13.504 1.209 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.140 14.818 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.244 14.879 1.958 1.00 0.00 H new ATOM 0 HE ARG A 76 0.306 17.113 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.998 15.870 0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.723 17.480 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.626 19.171 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.382 19.346 0.910 1.00 0.00 H new ATOM 1252 N LYS A 77 3.695 14.700 4.801 1.00 0.00 N ATOM 1253 CA LYS A 77 4.343 15.181 6.027 1.00 0.00 C ATOM 1254 C LYS A 77 3.803 16.539 6.495 1.00 0.00 C ATOM 1255 O LYS A 77 4.280 17.594 6.063 1.00 0.00 O ATOM 1256 CB LYS A 77 5.842 15.260 5.784 1.00 0.00 C ATOM 1257 CG LYS A 77 6.594 13.995 6.155 1.00 0.00 C ATOM 1258 CD LYS A 77 8.044 14.057 5.710 1.00 0.00 C ATOM 1259 CE LYS A 77 8.769 12.752 6.002 1.00 0.00 C ATOM 1260 NZ LYS A 77 8.183 11.608 5.253 1.00 0.00 N ATOM 0 H LYS A 77 3.367 13.736 4.858 1.00 0.00 H new ATOM 0 HA LYS A 77 4.120 14.475 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.018 15.480 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.249 16.094 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.550 13.848 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.108 13.134 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.090 14.270 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.548 14.878 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.822 12.856 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.726 12.545 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.685 10.733 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.176 11.513 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.278 11.777 4.231 1.00 0.00 H new ATOM 1274 N LYS A 78 2.834 16.515 7.409 1.00 0.00 N ATOM 1275 CA LYS A 78 2.198 17.736 7.862 1.00 0.00 C ATOM 1276 C LYS A 78 3.138 18.507 8.772 1.00 0.00 C ATOM 1277 O LYS A 78 3.727 17.930 9.688 1.00 0.00 O ATOM 1278 CB LYS A 78 0.899 17.431 8.606 1.00 0.00 C ATOM 1279 CG LYS A 78 0.150 18.685 9.031 1.00 0.00 C ATOM 1280 CD LYS A 78 -0.600 19.320 7.867 1.00 0.00 C ATOM 1281 CE LYS A 78 -1.768 18.455 7.409 1.00 0.00 C ATOM 1282 NZ LYS A 78 -2.520 19.082 6.290 1.00 0.00 N ATOM 0 H LYS A 78 2.478 15.664 7.845 1.00 0.00 H new ATOM 0 HA LYS A 78 1.963 18.341 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.254 16.828 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.124 16.832 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.555 18.436 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.855 19.406 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.969 20.302 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.086 19.476 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.396 17.480 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.443 18.283 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.306 18.461 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.898 20.001 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.883 19.223 5.480 1.00 0.00 H new ATOM 1296 N ARG A 79 3.267 19.803 8.511 1.00 0.00 N ATOM 1297 CA ARG A 79 4.162 20.669 9.267 1.00 0.00 C ATOM 1298 C ARG A 79 5.594 20.156 9.166 1.00 0.00 C ATOM 1299 O ARG A 79 6.102 19.491 10.074 1.00 0.00 O ATOM 1300 CB ARG A 79 3.723 20.784 10.726 1.00 0.00 C ATOM 1301 CG ARG A 79 4.532 21.795 11.529 1.00 0.00 C ATOM 1302 CD ARG A 79 4.395 23.200 10.958 1.00 0.00 C ATOM 1303 NE ARG A 79 5.274 24.158 11.624 1.00 0.00 N ATOM 1304 CZ ARG A 79 5.197 25.479 11.459 1.00 0.00 C ATOM 1305 NH1 ARG A 79 4.264 26.000 10.672 1.00 0.00 N ATOM 1306 NH2 ARG A 79 6.052 26.275 12.087 1.00 0.00 N ATOM 0 H ARG A 79 2.755 20.282 7.770 1.00 0.00 H new ATOM 0 HA ARG A 79 4.118 21.669 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.670 21.065 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.806 19.806 11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.197 21.789 12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.582 21.503 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.624 23.180 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.361 23.530 11.056 1.00 0.00 H new ATOM 0 HE ARG A 79 5.990 23.795 12.253 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.603 25.390 10.191 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.208 27.011 10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.767 25.877 12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.994 27.286 11.962 1.00 0.00 H new ATOM 1320 N LYS A 80 6.216 20.459 8.036 1.00 0.00 N ATOM 1321 CA LYS A 80 7.588 20.031 7.742 1.00 0.00 C ATOM 1322 C LYS A 80 8.532 20.342 8.904 1.00 0.00 C ATOM 1323 O LYS A 80 8.707 21.509 9.267 1.00 0.00 O ATOM 1324 CB LYS A 80 8.100 20.731 6.478 1.00 0.00 C ATOM 1325 CG LYS A 80 7.265 20.457 5.238 1.00 0.00 C ATOM 1326 CD LYS A 80 7.262 18.983 4.872 1.00 0.00 C ATOM 1327 CE LYS A 80 6.434 18.721 3.625 1.00 0.00 C ATOM 1328 NZ LYS A 80 5.003 19.077 3.818 1.00 0.00 N ATOM 0 H LYS A 80 5.788 21.009 7.292 1.00 0.00 H new ATOM 0 HA LYS A 80 7.570 18.952 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.126 21.806 6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.126 20.414 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.241 20.791 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.655 21.038 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.285 18.646 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.864 18.401 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.841 19.296 2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.512 17.668 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.402 18.353 3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.792 19.127 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.813 20.001 3.380 1.00 0.00 H new ATOM 1342 N PRO A 81 9.128 19.306 9.526 1.00 0.00 N ATOM 1343 CA PRO A 81 10.122 19.494 10.593 1.00 0.00 C ATOM 1344 C PRO A 81 11.314 20.312 10.117 1.00 0.00 C ATOM 1345 O PRO A 81 11.902 20.023 9.076 1.00 0.00 O ATOM 1346 CB PRO A 81 10.565 18.068 10.940 1.00 0.00 C ATOM 1347 CG PRO A 81 9.455 17.196 10.467 1.00 0.00 C ATOM 1348 CD PRO A 81 8.880 17.874 9.256 1.00 0.00 C ATOM 0 HA PRO A 81 9.708 20.038 11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.504 17.815 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.727 17.955 12.012 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.821 16.200 10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 81 8.698 17.074 11.242 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.370 17.546 8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.817 17.663 9.142 1.00 0.00 H new ATOM 1356 N GLN A 82 11.662 21.337 10.878 1.00 0.00 N ATOM 1357 CA GLN A 82 12.761 22.216 10.513 1.00 0.00 C ATOM 1358 C GLN A 82 13.962 21.966 11.416 1.00 0.00 C ATOM 1359 O GLN A 82 14.449 22.870 12.098 1.00 0.00 O ATOM 1360 CB GLN A 82 12.323 23.680 10.592 1.00 0.00 C ATOM 1361 CG GLN A 82 11.154 24.008 9.677 1.00 0.00 C ATOM 1362 CD GLN A 82 10.841 25.490 9.614 1.00 0.00 C ATOM 1363 OE1 GLN A 82 11.863 26.323 9.737 1.00 0.00 O flip ATOM 1364 NE2 GLN A 82 9.688 25.885 9.435 1.00 0.00 N flip ATOM 0 H GLN A 82 11.199 21.581 11.753 1.00 0.00 H new ATOM 0 HA GLN A 82 13.052 22.000 9.485 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.048 23.915 11.620 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.168 24.319 10.334 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.375 23.647 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.270 23.471 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.927 25.212 9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.495 26.885 9.377 1.00 0.00 H new ATOM 1373 N ALA A 83 14.433 20.730 11.414 1.00 0.00 N ATOM 1374 CA ALA A 83 15.552 20.336 12.251 1.00 0.00 C ATOM 1375 C ALA A 83 16.799 20.121 11.404 1.00 0.00 C ATOM 1376 O ALA A 83 17.652 21.029 11.366 1.00 0.00 O ATOM 1377 CB ALA A 83 15.212 19.077 13.037 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.908 19.055 10.758 1.00 0.00 O ATOM 0 H ALA A 83 14.054 19.978 10.838 1.00 0.00 H new ATOM 0 HA ALA A 83 15.754 21.138 12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.062 18.796 13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.346 19.266 13.671 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.985 18.266 12.345 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 3.298 -6.048 -11.748 1.00 0.00 N ATOM 1386 CA LYS B 201 2.824 -4.730 -11.263 1.00 0.00 C ATOM 1387 C LYS B 201 3.471 -4.371 -9.932 1.00 0.00 C ATOM 1388 O LYS B 201 4.149 -3.351 -9.817 1.00 0.00 O ATOM 1389 CB LYS B 201 1.298 -4.738 -11.111 1.00 0.00 C ATOM 1390 CG LYS B 201 0.735 -3.459 -10.505 1.00 0.00 C ATOM 1391 CD LYS B 201 -0.768 -3.554 -10.287 1.00 0.00 C ATOM 1392 CE LYS B 201 -1.521 -3.711 -11.598 1.00 0.00 C ATOM 1393 NZ LYS B 201 -1.435 -2.490 -12.442 1.00 0.00 N ATOM 0 HA LYS B 201 3.110 -3.979 -12.000 1.00 0.00 H new ATOM 0 HB2 LYS B 201 0.845 -4.895 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS B 201 1.009 -5.583 -10.486 1.00 0.00 H new ATOM 0 HG2 LYS B 201 1.229 -3.259 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS B 201 0.955 -2.617 -11.162 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -0.988 -4.402 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -1.118 -2.659 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -1.117 -4.561 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -2.567 -3.935 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -2.082 -2.581 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -1.701 -1.658 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -0.461 -2.376 -12.789 1.00 0.00 H new ATOM 1409 N TRP B 202 3.260 -5.212 -8.929 1.00 0.00 N ATOM 1410 CA TRP B 202 3.724 -4.928 -7.583 1.00 0.00 C ATOM 1411 C TRP B 202 3.955 -6.234 -6.823 1.00 0.00 C ATOM 1412 O TRP B 202 3.502 -6.404 -5.693 1.00 0.00 O ATOM 1413 CB TRP B 202 2.681 -4.052 -6.876 1.00 0.00 C ATOM 1414 CG TRP B 202 3.166 -3.383 -5.628 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.397 -2.831 -5.408 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.410 -3.170 -4.434 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.452 -2.294 -4.147 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.246 -2.489 -3.527 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.106 -3.489 -4.043 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.821 -2.122 -2.255 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.690 -3.123 -2.776 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.544 -2.448 -1.897 1.00 0.00 C ATOM 0 H TRP B 202 2.768 -6.100 -9.026 1.00 0.00 H new ATOM 0 HA TRP B 202 4.673 -4.392 -7.617 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.338 -3.287 -7.572 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.817 -4.668 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.207 -2.819 -6.122 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.260 -1.825 -3.737 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.439 -4.009 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.477 -1.598 -1.575 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.314 -3.363 -2.459 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.186 -2.179 -0.914 1.00 0.00 H new ATOM 1433 N THR B 203 4.652 -7.166 -7.462 1.00 0.00 N ATOM 1434 CA THR B 203 4.953 -8.447 -6.838 1.00 0.00 C ATOM 1435 C THR B 203 6.159 -8.334 -5.909 1.00 0.00 C ATOM 1436 O THR B 203 6.604 -7.223 -5.599 1.00 0.00 O ATOM 1437 CB THR B 203 5.197 -9.544 -7.894 1.00 0.00 C ATOM 1438 OG1 THR B 203 5.761 -8.972 -9.080 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.903 -10.270 -8.231 1.00 0.00 C ATOM 0 H THR B 203 5.018 -7.059 -8.408 1.00 0.00 H new ATOM 0 HA THR B 203 4.083 -8.731 -6.246 1.00 0.00 H new ATOM 0 HB THR B 203 5.899 -10.267 -7.478 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.913 -9.678 -9.743 1.00 0.00 H new ATOM 0 HG21 THR B 203 4.101 -11.039 -8.978 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.501 -10.734 -7.330 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.179 -9.558 -8.627 1.00 0.00 H new ATOM 1447 N LEU B 204 6.674 -9.481 -5.460 1.00 0.00 N ATOM 1448 CA LEU B 204 7.766 -9.522 -4.490 1.00 0.00 C ATOM 1449 C LEU B 204 8.926 -8.625 -4.904 1.00 0.00 C ATOM 1450 O LEU B 204 9.538 -7.979 -4.061 1.00 0.00 O ATOM 1451 CB LEU B 204 8.263 -10.962 -4.269 1.00 0.00 C ATOM 1452 CG LEU B 204 9.100 -11.588 -5.397 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.721 -12.892 -4.923 1.00 0.00 C ATOM 1454 CD2 LEU B 204 8.263 -11.837 -6.644 1.00 0.00 C ATOM 0 H LEU B 204 6.347 -10.400 -5.757 1.00 0.00 H new ATOM 0 HA LEU B 204 7.366 -9.143 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.857 -10.980 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.395 -11.598 -4.097 1.00 0.00 H new ATOM 0 HG LEU B 204 9.888 -10.882 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU B 204 10.312 -13.328 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.365 -12.698 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.932 -13.587 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.888 -12.280 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.446 -12.517 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.855 -10.892 -7.003 1.00 0.00 H new ATOM 1466 N GLU B 205 9.210 -8.570 -6.198 1.00 0.00 N ATOM 1467 CA GLU B 205 10.295 -7.743 -6.705 1.00 0.00 C ATOM 1468 C GLU B 205 10.120 -6.293 -6.270 1.00 0.00 C ATOM 1469 O GLU B 205 10.898 -5.781 -5.471 1.00 0.00 O ATOM 1470 CB GLU B 205 10.375 -7.840 -8.227 1.00 0.00 C ATOM 1471 CG GLU B 205 10.675 -9.245 -8.721 1.00 0.00 C ATOM 1472 CD GLU B 205 11.941 -9.813 -8.112 1.00 0.00 C ATOM 1473 OE1 GLU B 205 13.033 -9.568 -8.659 1.00 0.00 O ATOM 1474 OE2 GLU B 205 11.852 -10.504 -7.077 1.00 0.00 O ATOM 0 H GLU B 205 8.704 -9.089 -6.916 1.00 0.00 H new ATOM 0 HA GLU B 205 11.230 -8.113 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.431 -7.504 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU B 205 11.148 -7.162 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU B 205 9.836 -9.898 -8.483 1.00 0.00 H new ATOM 0 HG3 GLU B 205 10.771 -9.233 -9.807 1.00 0.00 H new ATOM 1481 N ARG B 206 9.074 -5.651 -6.763 1.00 0.00 N ATOM 1482 CA ARG B 206 8.827 -4.249 -6.452 1.00 0.00 C ATOM 1483 C ARG B 206 8.683 -4.047 -4.944 1.00 0.00 C ATOM 1484 O ARG B 206 9.498 -3.361 -4.316 1.00 0.00 O ATOM 1485 CB ARG B 206 7.566 -3.762 -7.170 1.00 0.00 C ATOM 1486 CG ARG B 206 7.596 -3.981 -8.675 1.00 0.00 C ATOM 1487 CD ARG B 206 8.737 -3.225 -9.342 1.00 0.00 C ATOM 1488 NE ARG B 206 8.834 -3.544 -10.766 1.00 0.00 N ATOM 1489 CZ ARG B 206 9.392 -2.751 -11.679 1.00 0.00 C ATOM 1490 NH1 ARG B 206 9.928 -1.590 -11.325 1.00 0.00 N ATOM 1491 NH2 ARG B 206 9.420 -3.128 -12.949 1.00 0.00 N ATOM 0 H ARG B 206 8.382 -6.076 -7.380 1.00 0.00 H new ATOM 0 HA ARG B 206 9.680 -3.666 -6.799 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.700 -4.277 -6.754 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.432 -2.699 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.697 -5.046 -8.884 1.00 0.00 H new ATOM 0 HG3 ARG B 206 6.648 -3.660 -9.106 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.585 -2.153 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG B 206 9.676 -3.473 -8.848 1.00 0.00 H new ATOM 0 HE ARG B 206 8.448 -4.434 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG B 206 9.915 -1.299 -10.347 1.00 0.00 H new ATOM 0 HH12 ARG B 206 10.353 -0.988 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG B 206 9.015 -4.023 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG B 206 9.846 -2.523 -13.651 1.00 0.00 H new ATOM 1505 N LEU B 207 7.676 -4.692 -4.367 1.00 0.00 N ATOM 1506 CA LEU B 207 7.343 -4.493 -2.964 1.00 0.00 C ATOM 1507 C LEU B 207 8.448 -4.989 -2.041 1.00 0.00 C ATOM 1508 O LEU B 207 9.150 -4.189 -1.439 1.00 0.00 O ATOM 1509 CB LEU B 207 6.022 -5.189 -2.623 1.00 0.00 C ATOM 1510 CG LEU B 207 5.607 -5.143 -1.146 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.629 -3.722 -0.605 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.223 -5.733 -0.987 1.00 0.00 C ATOM 0 H LEU B 207 7.075 -5.359 -4.852 1.00 0.00 H new ATOM 0 HA LEU B 207 7.235 -3.420 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.229 -4.735 -3.218 1.00 0.00 H new ATOM 0 HB3 LEU B 207 6.093 -6.233 -2.929 1.00 0.00 H new ATOM 0 HG LEU B 207 6.326 -5.730 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.330 -3.727 0.443 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.636 -3.315 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.937 -3.104 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.931 -5.699 0.063 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.512 -5.158 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.227 -6.768 -1.329 1.00 0.00 H new ATOM 1524 N LYS B 208 8.614 -6.303 -1.960 1.00 0.00 N ATOM 1525 CA LYS B 208 9.500 -6.913 -0.970 1.00 0.00 C ATOM 1526 C LYS B 208 10.934 -6.393 -1.080 1.00 0.00 C ATOM 1527 O LYS B 208 11.569 -6.097 -0.064 1.00 0.00 O ATOM 1528 CB LYS B 208 9.497 -8.438 -1.114 1.00 0.00 C ATOM 1529 CG LYS B 208 10.342 -9.145 -0.067 1.00 0.00 C ATOM 1530 CD LYS B 208 10.588 -10.604 -0.422 1.00 0.00 C ATOM 1531 CE LYS B 208 9.295 -11.398 -0.503 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.555 -12.851 -0.667 1.00 0.00 N ATOM 0 H LYS B 208 8.145 -6.972 -2.571 1.00 0.00 H new ATOM 0 HA LYS B 208 9.116 -6.636 0.012 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.471 -8.800 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.864 -8.703 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.298 -8.631 0.035 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.844 -9.087 0.901 1.00 0.00 H new ATOM 0 HD2 LYS B 208 11.109 -10.661 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.243 -11.053 0.325 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.709 -11.232 0.401 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.698 -11.038 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.690 -13.385 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.844 -13.044 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.314 -13.143 -0.019 1.00 0.00 H new ATOM 1546 N ARG B 209 11.438 -6.258 -2.305 1.00 0.00 N ATOM 1547 CA ARG B 209 12.836 -5.892 -2.500 1.00 0.00 C ATOM 1548 C ARG B 209 13.095 -4.449 -2.071 1.00 0.00 C ATOM 1549 O ARG B 209 14.161 -4.144 -1.539 1.00 0.00 O ATOM 1550 CB ARG B 209 13.270 -6.100 -3.955 1.00 0.00 C ATOM 1551 CG ARG B 209 13.583 -7.548 -4.337 1.00 0.00 C ATOM 1552 CD ARG B 209 12.472 -8.521 -3.951 1.00 0.00 C ATOM 1553 NE ARG B 209 12.637 -9.824 -4.592 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.046 -10.923 -3.965 1.00 0.00 C ATOM 1555 NH1 ARG B 209 13.400 -10.879 -2.686 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.113 -12.068 -4.628 1.00 0.00 N ATOM 0 H ARG B 209 10.907 -6.395 -3.165 1.00 0.00 H new ATOM 0 HA ARG B 209 13.433 -6.550 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.481 -5.730 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.154 -5.491 -4.145 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.751 -7.606 -5.412 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.510 -7.853 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.462 -8.648 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.507 -8.099 -4.231 1.00 0.00 H new ATOM 0 HE ARG B 209 12.424 -9.895 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG B 209 13.360 -9.997 -2.176 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.712 -11.727 -2.214 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.852 -12.103 -5.613 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.426 -12.915 -4.153 1.00 0.00 H new ATOM 1570 N LYS B 210 12.126 -3.558 -2.287 1.00 0.00 N ATOM 1571 CA LYS B 210 12.286 -2.175 -1.849 1.00 0.00 C ATOM 1572 C LYS B 210 11.842 -2.027 -0.392 1.00 0.00 C ATOM 1573 O LYS B 210 12.322 -1.155 0.331 1.00 0.00 O ATOM 1574 CB LYS B 210 11.499 -1.219 -2.750 1.00 0.00 C ATOM 1575 CG LYS B 210 11.875 0.245 -2.566 1.00 0.00 C ATOM 1576 CD LYS B 210 13.319 0.511 -2.968 1.00 0.00 C ATOM 1577 CE LYS B 210 13.719 1.959 -2.725 1.00 0.00 C ATOM 1578 NZ LYS B 210 12.887 2.916 -3.503 1.00 0.00 N ATOM 0 H LYS B 210 11.242 -3.764 -2.752 1.00 0.00 H new ATOM 0 HA LYS B 210 13.342 -1.913 -1.923 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.661 -1.499 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.434 -1.339 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.210 0.869 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.729 0.530 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS B 210 13.980 -0.148 -2.404 1.00 0.00 H new ATOM 0 HD3 LYS B 210 13.452 0.270 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.629 2.184 -1.662 1.00 0.00 H new ATOM 0 HE3 LYS B 210 14.767 2.093 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.291 3.871 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 12.870 2.628 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 11.917 2.919 -3.127 1.00 0.00 H new ATOM 1592 N TYR B 211 10.932 -2.899 0.024 1.00 0.00 N ATOM 1593 CA TYR B 211 10.455 -2.954 1.403 1.00 0.00 C ATOM 1594 C TYR B 211 11.629 -3.162 2.352 1.00 0.00 C ATOM 1595 O TYR B 211 11.833 -2.395 3.294 1.00 0.00 O ATOM 1596 CB TYR B 211 9.448 -4.112 1.542 1.00 0.00 C ATOM 1597 CG TYR B 211 8.762 -4.236 2.886 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.397 -4.027 2.994 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.464 -4.586 4.036 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.749 -4.159 4.208 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.825 -4.713 5.253 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.465 -4.500 5.333 1.00 0.00 C ATOM 1603 OH TYR B 211 6.820 -4.631 6.542 1.00 0.00 O ATOM 0 H TYR B 211 10.501 -3.592 -0.588 1.00 0.00 H new ATOM 0 HA TYR B 211 9.965 -2.015 1.659 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.683 -3.996 0.775 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.968 -5.047 1.334 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.830 -3.757 2.116 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.528 -4.761 3.975 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.684 -3.995 4.274 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.387 -4.977 6.137 1.00 0.00 H new ATOM 0 HH TYR B 211 6.555 -5.566 6.672 1.00 0.00 H new ATOM 1613 N ARG B 212 12.414 -4.197 2.076 1.00 0.00 N ATOM 1614 CA ARG B 212 13.534 -4.563 2.931 1.00 0.00 C ATOM 1615 C ARG B 212 14.780 -3.764 2.566 1.00 0.00 C ATOM 1616 O ARG B 212 15.852 -3.976 3.131 1.00 0.00 O ATOM 1617 CB ARG B 212 13.826 -6.062 2.818 1.00 0.00 C ATOM 1618 CG ARG B 212 12.611 -6.943 3.066 1.00 0.00 C ATOM 1619 CD ARG B 212 12.998 -8.406 3.212 1.00 0.00 C ATOM 1620 NE ARG B 212 13.757 -8.650 4.439 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.628 -9.741 5.195 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.826 -10.730 4.817 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.320 -9.851 6.322 1.00 0.00 N ATOM 0 H ARG B 212 12.293 -4.800 1.262 1.00 0.00 H new ATOM 0 HA ARG B 212 13.261 -4.331 3.960 1.00 0.00 H new ATOM 0 HB2 ARG B 212 14.219 -6.272 1.823 1.00 0.00 H new ATOM 0 HB3 ARG B 212 14.607 -6.326 3.532 1.00 0.00 H new ATOM 0 HG2 ARG B 212 12.098 -6.610 3.969 1.00 0.00 H new ATOM 0 HG3 ARG B 212 11.907 -6.833 2.241 1.00 0.00 H new ATOM 0 HD2 ARG B 212 12.098 -9.021 3.213 1.00 0.00 H new ATOM 0 HD3 ARG B 212 13.592 -8.712 2.351 1.00 0.00 H new ATOM 0 HE ARG B 212 14.427 -7.940 4.735 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.304 -10.658 3.944 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.732 -11.562 5.400 1.00 0.00 H new ATOM 0 HH21 ARG B 212 14.950 -9.102 6.609 1.00 0.00 H new ATOM 0 HH22 ARG B 212 14.222 -10.685 6.901 1.00 0.00 H new ATOM 1637 N ASN B 213 14.634 -2.853 1.616 1.00 0.00 N ATOM 1638 CA ASN B 213 15.751 -2.041 1.159 1.00 0.00 C ATOM 1639 C ASN B 213 16.002 -0.896 2.128 1.00 0.00 C ATOM 1640 O ASN B 213 15.236 0.088 2.102 1.00 0.00 O ATOM 1641 CB ASN B 213 15.479 -1.490 -0.242 1.00 0.00 C ATOM 1642 CG ASN B 213 16.670 -0.751 -0.821 1.00 0.00 C ATOM 1643 OD1 ASN B 213 17.533 -1.351 -1.461 1.00 0.00 O ATOM 1644 ND2 ASN B 213 16.721 0.555 -0.608 1.00 0.00 N ATOM 1645 OXT ASN B 213 16.964 -0.984 2.916 1.00 0.00 O ATOM 0 H ASN B 213 13.750 -2.657 1.146 1.00 0.00 H new ATOM 0 HA ASN B 213 16.639 -2.672 1.119 1.00 0.00 H new ATOM 0 HB2 ASN B 213 15.209 -2.312 -0.905 1.00 0.00 H new ATOM 0 HB3 ASN B 213 14.623 -0.817 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN B 213 17.497 1.103 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN B 213 15.984 1.013 -0.072 1.00 0.00 H new TER 1652 ASN B 213