USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 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 35 SER OG : rot 100:sc= 0.00229 USER MOD Set 1.2: A 38 SER OG : rot -100:sc= -1.04 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ -153:sc= -0.0946 (180deg=-0.617) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 0.0532 (180deg=-0.928) USER MOD Single : A 21 ASN : amide:sc= -2.9 K(o=-2.9,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= -0.124 (180deg=-0.605) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.321 USER MOD Single : A 33 ASN : amide:sc= 0.783 K(o=0.78,f=-5.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 85:sc= -0.536! USER MOD Single : A 46 ASN : amide:sc= -2.26! C(o=-2.3!,f=-2.5!) USER MOD Single : A 48 SER OG : rot -94:sc= 0.131 USER MOD Single : A 50 CYS SG : rot -176:sc= -3.41 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= -0.407 (180deg=-1.25!) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00199) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.27) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -12.199 -29.960 6.110 1.00 0.00 N ATOM 2 CA ILE A -2 -13.067 -29.082 6.936 1.00 0.00 C ATOM 3 C ILE A -2 -12.273 -27.915 7.515 1.00 0.00 C ATOM 4 O ILE A -2 -12.132 -27.785 8.731 1.00 0.00 O ATOM 5 CB ILE A -2 -13.723 -29.868 8.090 1.00 0.00 C ATOM 6 CG1 ILE A -2 -14.263 -31.208 7.585 1.00 0.00 C ATOM 7 CG2 ILE A -2 -14.834 -29.047 8.729 1.00 0.00 C ATOM 8 CD1 ILE A -2 -15.319 -31.068 6.511 1.00 0.00 C ATOM 0 H1 ILE A -2 -12.775 -30.439 5.389 1.00 0.00 H new ATOM 0 H2 ILE A -2 -11.468 -29.386 5.644 1.00 0.00 H new ATOM 0 H3 ILE A -2 -11.745 -30.671 6.718 1.00 0.00 H new ATOM 0 HA ILE A -2 -13.847 -28.697 6.280 1.00 0.00 H new ATOM 0 HB ILE A -2 -12.966 -30.068 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -13.435 -31.800 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -14.682 -31.762 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -15.286 -29.616 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -14.420 -28.119 9.123 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -15.593 -28.817 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -15.656 -32.057 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -16.165 -30.503 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -14.899 -30.542 5.654 1.00 0.00 H new ATOM 22 N SER A -1 -11.752 -27.068 6.633 1.00 0.00 N ATOM 23 CA SER A -1 -10.970 -25.912 7.054 1.00 0.00 C ATOM 24 C SER A -1 -11.750 -24.621 6.834 1.00 0.00 C ATOM 25 O SER A -1 -11.777 -23.744 7.697 1.00 0.00 O ATOM 26 CB SER A -1 -9.646 -25.859 6.289 1.00 0.00 C ATOM 27 OG SER A -1 -8.978 -24.629 6.508 1.00 0.00 O ATOM 0 H SER A -1 -11.857 -27.161 5.623 1.00 0.00 H new ATOM 0 HA SER A -1 -10.761 -26.013 8.119 1.00 0.00 H new ATOM 0 HB2 SER A -1 -9.007 -26.684 6.604 1.00 0.00 H new ATOM 0 HB3 SER A -1 -9.833 -25.990 5.223 1.00 0.00 H new ATOM 0 HG SER A -1 -8.134 -24.622 6.009 1.00 0.00 H new ATOM 33 N SER A 2 -12.386 -24.512 5.671 1.00 0.00 N ATOM 34 CA SER A 2 -13.171 -23.332 5.333 1.00 0.00 C ATOM 35 C SER A 2 -12.342 -22.057 5.472 1.00 0.00 C ATOM 36 O SER A 2 -12.337 -21.424 6.528 1.00 0.00 O ATOM 37 CB SER A 2 -14.412 -23.247 6.224 1.00 0.00 C ATOM 38 OG SER A 2 -15.428 -24.123 5.768 1.00 0.00 O ATOM 0 H SER A 2 -12.372 -25.229 4.946 1.00 0.00 H new ATOM 0 HA SER A 2 -13.482 -23.425 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.145 -23.498 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.787 -22.224 6.234 1.00 0.00 H new ATOM 0 HG SER A 2 -16.209 -24.051 6.355 1.00 0.00 H new ATOM 44 N PRO A 3 -11.627 -21.660 4.403 1.00 0.00 N ATOM 45 CA PRO A 3 -10.802 -20.452 4.420 1.00 0.00 C ATOM 46 C PRO A 3 -11.606 -19.214 4.793 1.00 0.00 C ATOM 47 O PRO A 3 -12.810 -19.293 5.034 1.00 0.00 O ATOM 48 CB PRO A 3 -10.270 -20.326 2.989 1.00 0.00 C ATOM 49 CG PRO A 3 -11.041 -21.303 2.170 1.00 0.00 C ATOM 50 CD PRO A 3 -11.576 -22.348 3.107 1.00 0.00 C ATOM 0 HA PRO A 3 -10.010 -20.526 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.403 -19.312 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.202 -20.543 2.950 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.856 -20.805 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.403 -21.757 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.562 -22.695 2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.927 -23.223 3.143 1.00 0.00 H new ATOM 58 N LYS A 4 -10.935 -18.066 4.826 1.00 0.00 N ATOM 59 CA LYS A 4 -11.592 -16.808 5.164 1.00 0.00 C ATOM 60 C LYS A 4 -12.151 -16.130 3.917 1.00 0.00 C ATOM 61 O LYS A 4 -11.442 -15.941 2.929 1.00 0.00 O ATOM 62 CB LYS A 4 -10.613 -15.871 5.878 1.00 0.00 C ATOM 63 CG LYS A 4 -10.420 -16.205 7.349 1.00 0.00 C ATOM 64 CD LYS A 4 -9.920 -15.003 8.134 1.00 0.00 C ATOM 65 CE LYS A 4 -11.051 -14.318 8.885 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.551 -13.229 9.768 1.00 0.00 N ATOM 0 H LYS A 4 -9.939 -17.981 4.623 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.423 -17.031 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.648 -15.914 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.973 -14.846 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.364 -16.549 7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.709 -17.025 7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.153 -15.322 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.451 -14.292 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.765 -13.907 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.587 -15.054 9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.352 -12.787 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.889 -13.624 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.061 -12.513 9.194 1.00 0.00 H new ATOM 80 N GLN A 5 -13.430 -15.770 3.973 1.00 0.00 N ATOM 81 CA GLN A 5 -14.099 -15.116 2.863 1.00 0.00 C ATOM 82 C GLN A 5 -13.524 -13.718 2.623 1.00 0.00 C ATOM 83 O GLN A 5 -12.424 -13.409 3.078 1.00 0.00 O ATOM 84 CB GLN A 5 -15.601 -15.045 3.147 1.00 0.00 C ATOM 85 CG GLN A 5 -15.931 -14.716 4.589 1.00 0.00 C ATOM 86 CD GLN A 5 -17.223 -13.933 4.727 1.00 0.00 C ATOM 87 OE1 GLN A 5 -18.258 -14.325 4.190 1.00 0.00 O ATOM 88 NE2 GLN A 5 -17.167 -12.821 5.451 1.00 0.00 N ATOM 0 H GLN A 5 -14.026 -15.924 4.787 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.933 -15.698 1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.049 -14.292 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.057 -16.001 2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.008 -15.641 5.160 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.113 -14.140 5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.286 -12.534 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.005 -12.254 5.580 1.00 0.00 H new ATOM 97 N GLU A 6 -14.277 -12.880 1.906 1.00 0.00 N ATOM 98 CA GLU A 6 -13.856 -11.513 1.593 1.00 0.00 C ATOM 99 C GLU A 6 -12.451 -11.484 0.995 1.00 0.00 C ATOM 100 O GLU A 6 -11.451 -11.567 1.707 1.00 0.00 O ATOM 101 CB GLU A 6 -13.936 -10.607 2.832 1.00 0.00 C ATOM 102 CG GLU A 6 -13.107 -11.074 4.019 1.00 0.00 C ATOM 103 CD GLU A 6 -12.991 -10.018 5.098 1.00 0.00 C ATOM 104 OE1 GLU A 6 -13.896 -9.161 5.190 1.00 0.00 O ATOM 105 OE2 GLU A 6 -11.996 -10.045 5.852 1.00 0.00 O ATOM 0 H GLU A 6 -15.191 -13.129 1.528 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.547 -11.126 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.612 -9.604 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.978 -10.531 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.557 -11.972 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.110 -11.349 3.676 1.00 0.00 H new ATOM 112 N GLU A 7 -12.391 -11.371 -0.329 1.00 0.00 N ATOM 113 CA GLU A 7 -11.129 -11.332 -1.043 1.00 0.00 C ATOM 114 C GLU A 7 -10.328 -10.086 -0.676 1.00 0.00 C ATOM 115 O GLU A 7 -10.777 -9.258 0.114 1.00 0.00 O ATOM 116 CB GLU A 7 -11.375 -11.367 -2.555 1.00 0.00 C ATOM 117 CG GLU A 7 -10.822 -12.608 -3.237 1.00 0.00 C ATOM 118 CD GLU A 7 -10.116 -12.289 -4.540 1.00 0.00 C ATOM 119 OE1 GLU A 7 -10.702 -11.564 -5.372 1.00 0.00 O ATOM 120 OE2 GLU A 7 -8.975 -12.761 -4.730 1.00 0.00 O ATOM 0 H GLU A 7 -13.213 -11.305 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.551 -12.209 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.447 -11.309 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.925 -10.484 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.126 -13.109 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.637 -13.306 -3.430 1.00 0.00 H new ATOM 127 N TYR A 8 -9.147 -9.952 -1.277 1.00 0.00 N ATOM 128 CA TYR A 8 -8.278 -8.803 -1.026 1.00 0.00 C ATOM 129 C TYR A 8 -9.075 -7.490 -1.082 1.00 0.00 C ATOM 130 O TYR A 8 -9.315 -6.931 -2.149 1.00 0.00 O ATOM 131 CB TYR A 8 -7.102 -8.816 -2.028 1.00 0.00 C ATOM 132 CG TYR A 8 -7.095 -7.687 -3.034 1.00 0.00 C ATOM 133 CD1 TYR A 8 -7.885 -7.739 -4.174 1.00 0.00 C ATOM 134 CD2 TYR A 8 -6.298 -6.571 -2.838 1.00 0.00 C ATOM 135 CE1 TYR A 8 -7.883 -6.707 -5.090 1.00 0.00 C ATOM 136 CE2 TYR A 8 -6.289 -5.532 -3.748 1.00 0.00 C ATOM 137 CZ TYR A 8 -7.083 -5.606 -4.873 1.00 0.00 C ATOM 138 OH TYR A 8 -7.077 -4.575 -5.785 1.00 0.00 O ATOM 0 H TYR A 8 -8.769 -10.626 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.865 -8.874 -0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.168 -8.786 -1.467 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.118 -9.762 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.512 -8.601 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.673 -6.512 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.505 -6.762 -5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.664 -4.667 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.461 -3.875 -5.483 1.00 0.00 H new ATOM 148 N GLU A 9 -9.490 -7.004 0.083 1.00 0.00 N ATOM 149 CA GLU A 9 -10.256 -5.764 0.158 1.00 0.00 C ATOM 150 C GLU A 9 -9.363 -4.581 0.536 1.00 0.00 C ATOM 151 O GLU A 9 -9.796 -3.430 0.495 1.00 0.00 O ATOM 152 CB GLU A 9 -11.405 -5.900 1.162 1.00 0.00 C ATOM 153 CG GLU A 9 -11.035 -6.657 2.429 1.00 0.00 C ATOM 154 CD GLU A 9 -11.861 -6.225 3.624 1.00 0.00 C ATOM 155 OE1 GLU A 9 -12.884 -5.537 3.423 1.00 0.00 O ATOM 156 OE2 GLU A 9 -11.486 -6.573 4.762 1.00 0.00 O ATOM 0 H GLU A 9 -9.310 -7.447 0.984 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.673 -5.572 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.755 -4.904 1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.238 -6.409 0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.172 -7.726 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.978 -6.501 2.646 1.00 0.00 H new ATOM 163 N VAL A 10 -8.112 -4.869 0.893 1.00 0.00 N ATOM 164 CA VAL A 10 -7.160 -3.829 1.278 1.00 0.00 C ATOM 165 C VAL A 10 -6.542 -3.157 0.048 1.00 0.00 C ATOM 166 O VAL A 10 -7.079 -3.253 -1.057 1.00 0.00 O ATOM 167 CB VAL A 10 -6.040 -4.420 2.167 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.640 -5.232 3.304 1.00 0.00 C ATOM 169 CG2 VAL A 10 -5.081 -5.275 1.345 1.00 0.00 C ATOM 0 H VAL A 10 -7.734 -5.816 0.923 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.708 -3.075 1.844 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.471 -3.593 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.840 -5.641 3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.276 -4.590 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.235 -6.048 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.304 -5.678 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.630 -6.096 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.623 -4.663 0.568 1.00 0.00 H new ATOM 179 N GLU A 11 -5.409 -2.483 0.246 1.00 0.00 N ATOM 180 CA GLU A 11 -4.712 -1.804 -0.842 1.00 0.00 C ATOM 181 C GLU A 11 -3.304 -2.369 -1.008 1.00 0.00 C ATOM 182 O GLU A 11 -2.963 -3.387 -0.405 1.00 0.00 O ATOM 183 CB GLU A 11 -4.654 -0.298 -0.579 1.00 0.00 C ATOM 184 CG GLU A 11 -4.251 0.056 0.842 1.00 0.00 C ATOM 185 CD GLU A 11 -2.804 -0.283 1.140 1.00 0.00 C ATOM 186 OE1 GLU A 11 -2.517 -1.463 1.429 1.00 0.00 O ATOM 187 OE2 GLU A 11 -1.956 0.633 1.086 1.00 0.00 O ATOM 0 H GLU A 11 -4.954 -2.394 1.155 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.264 -1.974 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.946 0.156 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.631 0.137 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.412 1.121 1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.896 -0.475 1.542 1.00 0.00 H new ATOM 194 N ARG A 12 -2.484 -1.719 -1.832 1.00 0.00 N ATOM 195 CA ARG A 12 -1.122 -2.189 -2.063 1.00 0.00 C ATOM 196 C ARG A 12 -0.094 -1.062 -1.875 1.00 0.00 C ATOM 197 O ARG A 12 -0.032 -0.119 -2.663 1.00 0.00 O ATOM 198 CB ARG A 12 -1.030 -2.822 -3.459 1.00 0.00 C ATOM 199 CG ARG A 12 -2.168 -3.800 -3.745 1.00 0.00 C ATOM 200 CD ARG A 12 -2.871 -3.484 -5.055 1.00 0.00 C ATOM 201 NE ARG A 12 -3.040 -4.675 -5.886 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.215 -4.644 -7.204 1.00 0.00 C ATOM 203 NH1 ARG A 12 -3.248 -3.485 -7.850 1.00 0.00 N ATOM 204 NH2 ARG A 12 -3.359 -5.775 -7.880 1.00 0.00 N ATOM 0 H ARG A 12 -2.736 -0.874 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.880 -2.949 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.038 -2.033 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.077 -3.343 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.774 -4.816 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.889 -3.766 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.847 -3.046 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.297 -2.737 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.023 -5.586 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.139 -2.611 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.383 -3.468 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.336 -6.669 -7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.493 -5.751 -8.891 1.00 0.00 H new ATOM 218 N ILE A 13 0.684 -1.175 -0.792 1.00 0.00 N ATOM 219 CA ILE A 13 1.706 -0.186 -0.416 1.00 0.00 C ATOM 220 C ILE A 13 1.178 1.247 -0.459 1.00 0.00 C ATOM 221 O ILE A 13 0.921 1.794 -1.530 1.00 0.00 O ATOM 222 CB ILE A 13 2.980 -0.232 -1.287 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.421 -1.651 -1.618 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.109 0.489 -0.558 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.810 -2.467 -0.406 1.00 0.00 C ATOM 0 H ILE A 13 0.623 -1.961 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 13 1.965 -0.470 0.604 1.00 0.00 H new ATOM 0 HB ILE A 13 2.746 0.260 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.612 -2.160 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.268 -1.608 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.012 0.460 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.824 1.526 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.299 -0.003 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.112 -3.466 -0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.640 -1.982 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.959 -2.542 0.270 1.00 0.00 H new ATOM 237 N VAL A 14 1.033 1.856 0.716 1.00 0.00 N ATOM 238 CA VAL A 14 0.551 3.234 0.798 1.00 0.00 C ATOM 239 C VAL A 14 1.702 4.223 1.011 1.00 0.00 C ATOM 240 O VAL A 14 1.560 5.409 0.713 1.00 0.00 O ATOM 241 CB VAL A 14 -0.514 3.425 1.911 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.196 2.572 3.116 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.632 4.885 2.332 1.00 0.00 C ATOM 0 H VAL A 14 1.240 1.423 1.616 1.00 0.00 H new ATOM 0 HA VAL A 14 0.078 3.443 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.470 3.110 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.957 2.725 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.180 1.522 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.779 2.853 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.387 4.979 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.328 5.233 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.922 5.489 1.472 1.00 0.00 H new ATOM 253 N ASP A 15 2.843 3.751 1.515 1.00 0.00 N ATOM 254 CA ASP A 15 3.984 4.647 1.738 1.00 0.00 C ATOM 255 C ASP A 15 5.269 3.860 1.918 1.00 0.00 C ATOM 256 O ASP A 15 5.240 2.637 1.987 1.00 0.00 O ATOM 257 CB ASP A 15 3.745 5.530 2.961 1.00 0.00 C ATOM 258 CG ASP A 15 4.360 6.907 2.810 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.275 7.477 1.701 1.00 0.00 O ATOM 260 OD2 ASP A 15 4.926 7.416 3.799 1.00 0.00 O ATOM 0 H ASP A 15 3.003 2.777 1.772 1.00 0.00 H new ATOM 0 HA ASP A 15 4.084 5.280 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.673 5.631 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.161 5.044 3.843 1.00 0.00 H new ATOM 265 N GLU A 16 6.408 4.543 1.921 1.00 0.00 N ATOM 266 CA GLU A 16 7.685 3.851 2.034 1.00 0.00 C ATOM 267 C GLU A 16 8.768 4.711 2.697 1.00 0.00 C ATOM 268 O GLU A 16 8.815 5.930 2.531 1.00 0.00 O ATOM 269 CB GLU A 16 8.143 3.389 0.646 1.00 0.00 C ATOM 270 CG GLU A 16 7.371 4.042 -0.487 1.00 0.00 C ATOM 271 CD GLU A 16 7.475 5.555 -0.470 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.608 6.072 -0.374 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.423 6.224 -0.554 1.00 0.00 O ATOM 0 H GLU A 16 6.474 5.558 1.848 1.00 0.00 H new ATOM 0 HA GLU A 16 7.534 2.987 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.204 3.610 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.033 2.307 0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.745 3.667 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.322 3.753 -0.420 1.00 0.00 H new ATOM 280 N LYS A 17 9.651 4.029 3.423 1.00 0.00 N ATOM 281 CA LYS A 17 10.776 4.638 4.117 1.00 0.00 C ATOM 282 C LYS A 17 12.077 4.012 3.642 1.00 0.00 C ATOM 283 O LYS A 17 12.260 2.786 3.738 1.00 0.00 O ATOM 284 CB LYS A 17 10.688 4.416 5.622 1.00 0.00 C ATOM 285 CG LYS A 17 10.277 5.642 6.417 1.00 0.00 C ATOM 286 CD LYS A 17 9.053 5.366 7.271 1.00 0.00 C ATOM 287 CE LYS A 17 9.159 4.046 8.026 1.00 0.00 C ATOM 288 NZ LYS A 17 8.526 4.121 9.372 1.00 0.00 N ATOM 0 H LYS A 17 9.601 3.018 3.546 1.00 0.00 H new ATOM 0 HA LYS A 17 10.748 5.706 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.974 3.616 5.817 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.658 4.073 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.103 5.958 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.068 6.466 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.919 6.180 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.167 5.349 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.683 3.257 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.209 3.773 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.153 3.681 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.366 5.117 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.616 3.617 9.356 1.00 0.00 H new ATOM 302 N LEU A 18 12.978 4.853 3.160 1.00 0.00 N ATOM 303 CA LEU A 18 14.274 4.397 2.686 1.00 0.00 C ATOM 304 C LEU A 18 15.382 4.808 3.640 1.00 0.00 C ATOM 305 O LEU A 18 15.180 5.623 4.541 1.00 0.00 O ATOM 306 CB LEU A 18 14.582 4.955 1.295 1.00 0.00 C ATOM 307 CG LEU A 18 13.371 5.168 0.389 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.750 6.010 -0.818 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.805 3.827 -0.046 1.00 0.00 C ATOM 0 H LEU A 18 12.834 5.860 3.087 1.00 0.00 H new ATOM 0 HA LEU A 18 14.229 3.309 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.099 5.908 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.273 4.276 0.795 1.00 0.00 H new ATOM 0 HG LEU A 18 12.604 5.704 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.875 6.151 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.117 6.981 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.531 5.503 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.942 3.989 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.567 3.270 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.500 3.259 0.833 1.00 0.00 H new ATOM 321 N ASP A 19 16.551 4.231 3.426 1.00 0.00 N ATOM 322 CA ASP A 19 17.716 4.517 4.252 1.00 0.00 C ATOM 323 C ASP A 19 18.701 5.407 3.495 1.00 0.00 C ATOM 324 O ASP A 19 18.423 5.845 2.379 1.00 0.00 O ATOM 325 CB ASP A 19 18.389 3.209 4.672 1.00 0.00 C ATOM 326 CG ASP A 19 18.603 2.268 3.503 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.257 2.678 2.521 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.115 1.119 3.568 1.00 0.00 O ATOM 0 H ASP A 19 16.722 3.555 2.681 1.00 0.00 H new ATOM 0 HA ASP A 19 17.393 5.049 5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.350 3.431 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.777 2.714 5.426 1.00 0.00 H new ATOM 333 N ARG A 20 19.859 5.656 4.099 1.00 0.00 N ATOM 334 CA ARG A 20 20.887 6.489 3.466 1.00 0.00 C ATOM 335 C ARG A 20 21.510 5.791 2.254 1.00 0.00 C ATOM 336 O ARG A 20 22.334 6.375 1.550 1.00 0.00 O ATOM 337 CB ARG A 20 21.986 6.874 4.467 1.00 0.00 C ATOM 338 CG ARG A 20 22.283 5.813 5.521 1.00 0.00 C ATOM 339 CD ARG A 20 21.742 6.220 6.882 1.00 0.00 C ATOM 340 NE ARG A 20 21.705 5.102 7.822 1.00 0.00 N ATOM 341 CZ ARG A 20 22.762 4.674 8.508 1.00 0.00 C ATOM 342 NH1 ARG A 20 23.946 5.252 8.347 1.00 0.00 N ATOM 343 NH2 ARG A 20 22.636 3.663 9.358 1.00 0.00 N ATOM 0 H ARG A 20 20.112 5.298 5.020 1.00 0.00 H new ATOM 0 HA ARG A 20 20.392 7.397 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.902 7.087 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.694 7.796 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.839 4.864 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.359 5.655 5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.362 7.017 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.737 6.626 6.764 1.00 0.00 H new ATOM 0 HE ARG A 20 20.816 4.621 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.050 6.029 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.752 4.919 8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.729 3.214 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.446 3.335 9.884 1.00 0.00 H new ATOM 357 N ASN A 21 21.119 4.541 2.019 1.00 0.00 N ATOM 358 CA ASN A 21 21.630 3.766 0.912 1.00 0.00 C ATOM 359 C ASN A 21 20.574 3.641 -0.184 1.00 0.00 C ATOM 360 O ASN A 21 20.711 2.836 -1.106 1.00 0.00 O ATOM 361 CB ASN A 21 22.027 2.376 1.404 1.00 0.00 C ATOM 362 CG ASN A 21 22.124 2.280 2.915 1.00 0.00 C ATOM 363 OD1 ASN A 21 22.922 2.974 3.546 1.00 0.00 O ATOM 364 ND2 ASN A 21 21.313 1.410 3.500 1.00 0.00 N ATOM 0 H ASN A 21 20.439 4.045 2.595 1.00 0.00 H new ATOM 0 HA ASN A 21 22.503 4.272 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.297 1.649 1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.988 2.104 0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.334 1.295 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.668 0.856 2.937 1.00 0.00 H new ATOM 371 N GLY A 22 19.515 4.435 -0.065 1.00 0.00 N ATOM 372 CA GLY A 22 18.441 4.388 -1.030 1.00 0.00 C ATOM 373 C GLY A 22 17.759 3.037 -1.023 1.00 0.00 C ATOM 374 O GLY A 22 17.090 2.653 -1.982 1.00 0.00 O ATOM 0 H GLY A 22 19.385 5.112 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.713 5.167 -0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.833 4.595 -2.026 1.00 0.00 H new ATOM 378 N ALA A 23 17.949 2.322 0.076 1.00 0.00 N ATOM 379 CA ALA A 23 17.384 1.009 0.263 1.00 0.00 C ATOM 380 C ALA A 23 16.097 1.109 1.059 1.00 0.00 C ATOM 381 O ALA A 23 16.009 1.859 2.029 1.00 0.00 O ATOM 382 CB ALA A 23 18.392 0.121 0.971 1.00 0.00 C ATOM 0 H ALA A 23 18.506 2.647 0.866 1.00 0.00 H new ATOM 0 HA ALA A 23 17.151 0.568 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.966 -0.872 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.297 0.045 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.638 0.552 1.941 1.00 0.00 H new ATOM 388 N VAL A 24 15.100 0.364 0.637 1.00 0.00 N ATOM 389 CA VAL A 24 13.809 0.382 1.299 1.00 0.00 C ATOM 390 C VAL A 24 13.853 -0.400 2.604 1.00 0.00 C ATOM 391 O VAL A 24 14.025 -1.617 2.603 1.00 0.00 O ATOM 392 CB VAL A 24 12.730 -0.187 0.374 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.350 -0.008 0.986 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.832 0.486 -0.988 1.00 0.00 C ATOM 0 H VAL A 24 15.156 -0.265 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 24 13.562 1.418 1.533 1.00 0.00 H new ATOM 0 HB VAL A 24 12.886 -1.258 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.597 -0.419 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.305 -0.530 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.156 1.053 1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.066 0.084 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.687 1.560 -0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.817 0.296 -1.415 1.00 0.00 H new ATOM 404 N LYS A 25 13.723 0.311 3.719 1.00 0.00 N ATOM 405 CA LYS A 25 13.776 -0.316 5.031 1.00 0.00 C ATOM 406 C LYS A 25 12.386 -0.611 5.586 1.00 0.00 C ATOM 407 O LYS A 25 12.221 -1.533 6.385 1.00 0.00 O ATOM 408 CB LYS A 25 14.540 0.573 6.017 1.00 0.00 C ATOM 409 CG LYS A 25 16.032 0.651 5.740 1.00 0.00 C ATOM 410 CD LYS A 25 16.782 -0.499 6.394 1.00 0.00 C ATOM 411 CE LYS A 25 18.178 -0.077 6.826 1.00 0.00 C ATOM 412 NZ LYS A 25 18.141 0.969 7.887 1.00 0.00 N ATOM 0 H LYS A 25 13.580 1.321 3.739 1.00 0.00 H new ATOM 0 HA LYS A 25 14.297 -1.265 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.121 1.579 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.386 0.195 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.205 0.634 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.423 1.599 6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.223 -0.854 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.852 -1.333 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.722 -0.947 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.726 0.301 5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.997 0.899 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.100 1.910 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.300 0.829 8.483 1.00 0.00 H new ATOM 426 N LEU A 26 11.389 0.175 5.189 1.00 0.00 N ATOM 427 CA LEU A 26 10.031 -0.036 5.705 1.00 0.00 C ATOM 428 C LEU A 26 8.965 0.442 4.742 1.00 0.00 C ATOM 429 O LEU A 26 9.221 1.277 3.901 1.00 0.00 O ATOM 430 CB LEU A 26 9.861 0.744 7.007 1.00 0.00 C ATOM 431 CG LEU A 26 9.859 -0.082 8.284 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.167 0.811 9.478 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.518 -0.777 8.465 1.00 0.00 C ATOM 0 H LEU A 26 11.486 0.946 4.529 1.00 0.00 H new ATOM 0 HA LEU A 26 9.910 -1.109 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.663 1.479 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.924 1.299 6.955 1.00 0.00 H new ATOM 0 HG LEU A 26 10.631 -0.848 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.164 0.213 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.148 1.268 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.410 1.592 9.553 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.533 -1.364 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.726 -0.030 8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.332 -1.436 7.617 1.00 0.00 H new ATOM 445 N TYR A 27 7.758 -0.089 4.869 1.00 0.00 N ATOM 446 CA TYR A 27 6.641 0.314 4.018 1.00 0.00 C ATOM 447 C TYR A 27 5.397 0.504 4.875 1.00 0.00 C ATOM 448 O TYR A 27 5.203 -0.198 5.867 1.00 0.00 O ATOM 449 CB TYR A 27 6.291 -0.756 2.972 1.00 0.00 C ATOM 450 CG TYR A 27 7.257 -0.901 1.825 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.379 0.080 0.857 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.019 -2.042 1.701 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.246 -0.076 -0.207 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.889 -2.214 0.649 1.00 0.00 C ATOM 455 CZ TYR A 27 9.000 -1.226 -0.307 1.00 0.00 C ATOM 456 OH TYR A 27 9.865 -1.389 -1.365 1.00 0.00 O ATOM 0 H TYR A 27 7.523 -0.805 5.557 1.00 0.00 H new ATOM 0 HA TYR A 27 6.945 1.232 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.212 -1.718 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.306 -0.529 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.788 0.981 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.932 -2.819 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.333 0.698 -0.956 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.480 -3.115 0.572 1.00 0.00 H new ATOM 0 HH TYR A 27 10.320 -2.253 -1.285 1.00 0.00 H new ATOM 466 N ARG A 28 4.538 1.411 4.457 1.00 0.00 N ATOM 467 CA ARG A 28 3.287 1.655 5.138 1.00 0.00 C ATOM 468 C ARG A 28 2.176 1.022 4.335 1.00 0.00 C ATOM 469 O ARG A 28 2.094 1.250 3.112 1.00 0.00 O ATOM 470 CB ARG A 28 3.012 3.148 5.289 1.00 0.00 C ATOM 471 CG ARG A 28 1.695 3.447 5.986 1.00 0.00 C ATOM 472 CD ARG A 28 1.469 4.938 6.123 1.00 0.00 C ATOM 473 NE ARG A 28 0.055 5.292 6.020 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.504 6.325 6.649 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.226 7.118 7.425 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.798 6.568 6.499 1.00 0.00 N ATOM 0 H ARG A 28 4.689 1.998 3.637 1.00 0.00 H new ATOM 0 HA ARG A 28 3.343 1.223 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.826 3.606 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.007 3.611 4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.874 3.003 5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.691 2.984 6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.858 5.276 7.083 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.031 5.462 5.349 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.541 4.712 5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.223 6.939 7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.210 7.907 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.364 5.965 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.228 7.358 6.980 1.00 0.00 H new ATOM 490 N ILE A 29 1.354 0.215 5.021 1.00 0.00 N ATOM 491 CA ILE A 29 0.245 -0.498 4.382 1.00 0.00 C ATOM 492 C ILE A 29 -1.111 -0.056 4.935 1.00 0.00 C ATOM 493 O ILE A 29 -1.410 -0.261 6.111 1.00 0.00 O ATOM 494 CB ILE A 29 0.397 -2.022 4.580 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.738 -2.498 3.998 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.778 -2.772 3.959 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.675 -2.936 2.550 1.00 0.00 C ATOM 0 H ILE A 29 1.439 0.041 6.022 1.00 0.00 H new ATOM 0 HA ILE A 29 0.281 -0.256 3.320 1.00 0.00 H new ATOM 0 HB ILE A 29 0.392 -2.239 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.466 -1.692 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.106 -3.329 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.647 -3.843 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.706 -2.449 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.821 -2.560 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.665 -3.255 2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.975 -3.766 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.340 -2.103 1.932 1.00 0.00 H new ATOM 509 N ARG A 30 -1.936 0.519 4.065 1.00 0.00 N ATOM 510 CA ARG A 30 -3.268 0.982 4.442 1.00 0.00 C ATOM 511 C ARG A 30 -4.292 -0.151 4.364 1.00 0.00 C ATOM 512 O ARG A 30 -4.143 -1.089 3.581 1.00 0.00 O ATOM 513 CB ARG A 30 -3.684 2.146 3.532 1.00 0.00 C ATOM 514 CG ARG A 30 -5.148 2.550 3.651 1.00 0.00 C ATOM 515 CD ARG A 30 -5.574 3.428 2.483 1.00 0.00 C ATOM 516 NE ARG A 30 -6.964 3.190 2.095 1.00 0.00 N ATOM 517 CZ ARG A 30 -7.927 4.111 2.147 1.00 0.00 C ATOM 518 NH1 ARG A 30 -7.668 5.340 2.579 1.00 0.00 N ATOM 519 NH2 ARG A 30 -9.159 3.801 1.765 1.00 0.00 N ATOM 0 H ARG A 30 -1.702 0.677 3.085 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.236 1.326 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.062 3.011 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.479 1.872 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.773 1.657 3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.305 3.085 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.448 4.476 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.922 3.238 1.630 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.213 2.258 1.763 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.724 5.588 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.413 6.036 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.368 2.860 1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.897 4.504 1.804 1.00 0.00 H new ATOM 533 N TRP A 31 -5.326 -0.049 5.198 1.00 0.00 N ATOM 534 CA TRP A 31 -6.398 -1.039 5.251 1.00 0.00 C ATOM 535 C TRP A 31 -7.368 -0.719 6.383 1.00 0.00 C ATOM 536 O TRP A 31 -7.348 -1.362 7.427 1.00 0.00 O ATOM 537 CB TRP A 31 -5.872 -2.478 5.408 1.00 0.00 C ATOM 538 CG TRP A 31 -4.595 -2.611 6.188 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.901 -1.619 6.804 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.861 -3.818 6.422 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.769 -2.126 7.393 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.726 -3.476 7.177 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.054 -5.154 6.064 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.785 -4.421 7.577 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.122 -6.092 6.463 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.999 -5.721 7.212 1.00 0.00 C ATOM 0 H TRP A 31 -5.443 0.722 5.855 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.918 -0.984 4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.641 -3.078 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.719 -2.902 4.416 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.197 -0.581 6.827 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.074 -1.585 7.907 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.917 -5.449 5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.918 -4.137 8.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.262 -7.128 6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.287 -6.477 7.508 1.00 0.00 H new ATOM 557 N LEU A 32 -8.218 0.278 6.164 1.00 0.00 N ATOM 558 CA LEU A 32 -9.197 0.687 7.174 1.00 0.00 C ATOM 559 C LEU A 32 -10.321 -0.333 7.312 1.00 0.00 C ATOM 560 O LEU A 32 -10.679 -0.729 8.420 1.00 0.00 O ATOM 561 CB LEU A 32 -9.807 2.061 6.859 1.00 0.00 C ATOM 562 CG LEU A 32 -9.186 2.822 5.688 1.00 0.00 C ATOM 563 CD1 LEU A 32 -9.720 2.273 4.380 1.00 0.00 C ATOM 564 CD2 LEU A 32 -9.471 4.314 5.806 1.00 0.00 C ATOM 0 H LEU A 32 -8.252 0.819 5.300 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.651 0.750 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.869 1.926 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.730 2.683 7.751 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.105 2.686 5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.275 2.818 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.466 1.216 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.803 2.389 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.021 4.838 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.548 4.480 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.048 4.693 6.737 1.00 0.00 H new ATOM 576 N ASN A 33 -10.881 -0.730 6.177 1.00 0.00 N ATOM 577 CA ASN A 33 -11.994 -1.692 6.131 1.00 0.00 C ATOM 578 C ASN A 33 -11.949 -2.699 7.282 1.00 0.00 C ATOM 579 O ASN A 33 -12.971 -2.987 7.904 1.00 0.00 O ATOM 580 CB ASN A 33 -11.994 -2.451 4.799 1.00 0.00 C ATOM 581 CG ASN A 33 -11.614 -1.591 3.622 1.00 0.00 C ATOM 582 OD1 ASN A 33 -10.568 -0.941 3.614 1.00 0.00 O ATOM 583 ND2 ASN A 33 -12.468 -1.594 2.616 1.00 0.00 N ATOM 0 H ASN A 33 -10.583 -0.400 5.259 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.910 -1.109 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.300 -3.289 4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.985 -2.871 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.275 -1.040 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.321 -2.150 2.673 1.00 0.00 H new ATOM 590 N TYR A 34 -10.765 -3.235 7.558 1.00 0.00 N ATOM 591 CA TYR A 34 -10.601 -4.218 8.627 1.00 0.00 C ATOM 592 C TYR A 34 -11.189 -3.717 9.945 1.00 0.00 C ATOM 593 O TYR A 34 -12.278 -4.126 10.346 1.00 0.00 O ATOM 594 CB TYR A 34 -9.121 -4.566 8.816 1.00 0.00 C ATOM 595 CG TYR A 34 -8.602 -5.611 7.841 1.00 0.00 C ATOM 596 CD1 TYR A 34 -9.274 -5.887 6.653 1.00 0.00 C ATOM 597 CD2 TYR A 34 -7.454 -6.339 8.124 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.815 -6.858 5.780 1.00 0.00 C ATOM 599 CE2 TYR A 34 -6.986 -7.308 7.253 1.00 0.00 C ATOM 600 CZ TYR A 34 -7.671 -7.566 6.085 1.00 0.00 C ATOM 601 OH TYR A 34 -7.212 -8.532 5.219 1.00 0.00 O ATOM 0 H TYR A 34 -9.905 -3.007 7.058 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.145 -5.115 8.332 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.528 -3.658 8.709 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.970 -4.927 9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.169 -5.334 6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.916 -6.146 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.350 -7.061 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.088 -7.860 7.488 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.396 -8.935 5.582 1.00 0.00 H new ATOM 611 N SER A 35 -10.452 -2.840 10.618 1.00 0.00 N ATOM 612 CA SER A 35 -10.885 -2.293 11.901 1.00 0.00 C ATOM 613 C SER A 35 -11.148 -0.789 11.807 1.00 0.00 C ATOM 614 O SER A 35 -11.114 -0.210 10.723 1.00 0.00 O ATOM 615 CB SER A 35 -9.815 -2.585 12.956 1.00 0.00 C ATOM 616 OG SER A 35 -9.223 -1.393 13.448 1.00 0.00 O ATOM 0 H SER A 35 -9.549 -2.491 10.296 1.00 0.00 H new ATOM 0 HA SER A 35 -11.823 -2.769 12.187 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.261 -3.138 13.783 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.044 -3.223 12.525 1.00 0.00 H new ATOM 0 HG SER A 35 -9.625 -1.160 14.311 1.00 0.00 H new ATOM 622 N SER A 36 -11.412 -0.162 12.952 1.00 0.00 N ATOM 623 CA SER A 36 -11.669 1.273 12.989 1.00 0.00 C ATOM 624 C SER A 36 -10.425 2.037 12.551 1.00 0.00 C ATOM 625 O SER A 36 -10.513 3.121 11.976 1.00 0.00 O ATOM 626 CB SER A 36 -12.089 1.712 14.394 1.00 0.00 C ATOM 627 OG SER A 36 -12.790 2.944 14.355 1.00 0.00 O ATOM 0 H SER A 36 -11.453 -0.624 13.861 1.00 0.00 H new ATOM 0 HA SER A 36 -12.485 1.496 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.719 0.945 14.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.207 1.812 15.026 1.00 0.00 H new ATOM 0 HG SER A 36 -13.049 3.202 15.264 1.00 0.00 H new ATOM 633 N ARG A 37 -9.266 1.450 12.825 1.00 0.00 N ATOM 634 CA ARG A 37 -7.991 2.048 12.457 1.00 0.00 C ATOM 635 C ARG A 37 -7.318 1.200 11.382 1.00 0.00 C ATOM 636 O ARG A 37 -7.251 1.592 10.216 1.00 0.00 O ATOM 637 CB ARG A 37 -7.083 2.164 13.686 1.00 0.00 C ATOM 638 CG ARG A 37 -7.052 3.560 14.295 1.00 0.00 C ATOM 639 CD ARG A 37 -7.315 3.529 15.795 1.00 0.00 C ATOM 640 NE ARG A 37 -6.263 4.203 16.553 1.00 0.00 N ATOM 641 CZ ARG A 37 -6.153 4.147 17.879 1.00 0.00 C ATOM 642 NH1 ARG A 37 -7.028 3.451 18.596 1.00 0.00 N ATOM 643 NH2 ARG A 37 -5.168 4.787 18.491 1.00 0.00 N ATOM 0 H ARG A 37 -9.185 0.553 13.305 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.168 3.049 12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.418 1.455 14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.069 1.877 13.406 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.081 4.018 14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.800 4.186 13.808 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.273 4.005 16.004 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.394 2.494 16.127 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.573 4.748 16.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.789 2.956 18.131 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.939 3.412 19.611 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.493 5.324 17.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.085 4.743 19.507 1.00 0.00 H new ATOM 657 N SER A 38 -6.836 0.027 11.789 1.00 0.00 N ATOM 658 CA SER A 38 -6.175 -0.908 10.881 1.00 0.00 C ATOM 659 C SER A 38 -5.247 -0.190 9.905 1.00 0.00 C ATOM 660 O SER A 38 -5.643 0.187 8.802 1.00 0.00 O ATOM 661 CB SER A 38 -7.207 -1.736 10.116 1.00 0.00 C ATOM 662 OG SER A 38 -7.654 -2.831 10.894 1.00 0.00 O ATOM 0 H SER A 38 -6.892 -0.301 12.753 1.00 0.00 H new ATOM 0 HA SER A 38 -5.565 -1.575 11.490 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.055 -1.107 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.770 -2.100 9.186 1.00 0.00 H new ATOM 0 HG SER A 38 -7.188 -3.645 10.611 1.00 0.00 H new ATOM 668 N ASP A 39 -4.010 -0.006 10.335 1.00 0.00 N ATOM 669 CA ASP A 39 -2.993 0.668 9.538 1.00 0.00 C ATOM 670 C ASP A 39 -1.661 0.582 10.266 1.00 0.00 C ATOM 671 O ASP A 39 -1.530 1.106 11.372 1.00 0.00 O ATOM 672 CB ASP A 39 -3.373 2.139 9.325 1.00 0.00 C ATOM 673 CG ASP A 39 -3.536 2.886 10.636 1.00 0.00 C ATOM 674 OD1 ASP A 39 -3.710 2.224 11.681 1.00 0.00 O ATOM 675 OD2 ASP A 39 -3.493 4.135 10.617 1.00 0.00 O ATOM 0 H ASP A 39 -3.680 -0.319 11.248 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.917 0.185 8.564 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.606 2.627 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.303 2.194 8.760 1.00 0.00 H new ATOM 680 N THR A 40 -0.671 -0.080 9.676 1.00 0.00 N ATOM 681 CA THR A 40 0.616 -0.213 10.334 1.00 0.00 C ATOM 682 C THR A 40 1.763 -0.295 9.330 1.00 0.00 C ATOM 683 O THR A 40 1.564 -0.237 8.104 1.00 0.00 O ATOM 684 CB THR A 40 0.618 -1.451 11.236 1.00 0.00 C ATOM 685 OG1 THR A 40 1.940 -1.828 11.590 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.050 -2.651 10.604 1.00 0.00 C ATOM 0 H THR A 40 -0.736 -0.524 8.760 1.00 0.00 H new ATOM 0 HA THR A 40 0.771 0.680 10.939 1.00 0.00 H new ATOM 0 HB THR A 40 0.049 -1.158 12.119 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.230 -1.311 12.371 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.014 -3.493 11.295 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.089 -2.412 10.377 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.471 -2.915 9.683 1.00 0.00 H new ATOM 694 N TRP A 41 2.966 -0.424 9.877 1.00 0.00 N ATOM 695 CA TRP A 41 4.175 -0.510 9.093 1.00 0.00 C ATOM 696 C TRP A 41 4.745 -1.926 9.128 1.00 0.00 C ATOM 697 O TRP A 41 4.718 -2.605 10.156 1.00 0.00 O ATOM 698 CB TRP A 41 5.204 0.489 9.630 1.00 0.00 C ATOM 699 CG TRP A 41 4.806 1.919 9.414 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.898 2.650 10.138 1.00 0.00 C ATOM 701 CD2 TRP A 41 5.303 2.791 8.398 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.805 3.923 9.617 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.657 4.027 8.554 1.00 0.00 C ATOM 704 CE3 TRP A 41 6.231 2.642 7.365 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.910 5.112 7.719 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.479 3.717 6.536 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.821 4.939 6.718 1.00 0.00 C ATOM 0 H TRP A 41 3.122 -0.471 10.884 1.00 0.00 H new ATOM 0 HA TRP A 41 3.940 -0.266 8.057 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.347 0.315 10.696 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.164 0.308 9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.341 2.284 10.987 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.200 4.665 9.968 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.745 1.703 7.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.404 6.056 7.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.193 3.614 5.733 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.039 5.761 6.053 1.00 0.00 H new ATOM 718 N GLU A 42 5.289 -2.335 7.999 1.00 0.00 N ATOM 719 CA GLU A 42 5.901 -3.633 7.837 1.00 0.00 C ATOM 720 C GLU A 42 7.144 -3.500 6.966 1.00 0.00 C ATOM 721 O GLU A 42 7.256 -2.555 6.202 1.00 0.00 O ATOM 722 CB GLU A 42 4.925 -4.606 7.179 1.00 0.00 C ATOM 723 CG GLU A 42 3.473 -4.145 7.165 1.00 0.00 C ATOM 724 CD GLU A 42 2.504 -5.305 7.049 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.418 -5.901 5.955 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.832 -5.618 8.054 1.00 0.00 O ATOM 0 H GLU A 42 5.317 -1.762 7.155 1.00 0.00 H new ATOM 0 HA GLU A 42 6.174 -4.018 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.246 -4.781 6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.983 -5.563 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.262 -3.588 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.319 -3.461 6.331 1.00 0.00 H new ATOM 733 N PRO A 43 8.085 -4.449 7.038 1.00 0.00 N ATOM 734 CA PRO A 43 9.281 -4.393 6.209 1.00 0.00 C ATOM 735 C PRO A 43 8.959 -4.678 4.743 1.00 0.00 C ATOM 736 O PRO A 43 7.857 -5.113 4.417 1.00 0.00 O ATOM 737 CB PRO A 43 10.210 -5.464 6.784 1.00 0.00 C ATOM 738 CG PRO A 43 9.422 -6.237 7.797 1.00 0.00 C ATOM 739 CD PRO A 43 8.040 -5.639 7.893 1.00 0.00 C ATOM 0 HA PRO A 43 9.736 -3.403 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.573 -6.123 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.085 -5.007 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.361 -7.286 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.917 -6.202 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.280 -6.342 7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.793 -5.377 8.922 1.00 0.00 H new ATOM 747 N PRO A 44 9.938 -4.493 3.840 1.00 0.00 N ATOM 748 CA PRO A 44 9.760 -4.748 2.407 1.00 0.00 C ATOM 749 C PRO A 44 9.944 -6.210 2.066 1.00 0.00 C ATOM 750 O PRO A 44 9.225 -6.782 1.246 1.00 0.00 O ATOM 751 CB PRO A 44 10.878 -3.916 1.813 1.00 0.00 C ATOM 752 CG PRO A 44 11.970 -4.051 2.768 1.00 0.00 C ATOM 753 CD PRO A 44 11.321 -4.066 4.134 1.00 0.00 C ATOM 0 HA PRO A 44 8.763 -4.501 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.164 -4.280 0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.579 -2.874 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.533 -4.968 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.673 -3.223 2.678 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.822 -4.758 4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.349 -3.083 4.605 1.00 0.00 H new ATOM 761 N GLU A 45 10.943 -6.791 2.685 1.00 0.00 N ATOM 762 CA GLU A 45 11.270 -8.197 2.472 1.00 0.00 C ATOM 763 C GLU A 45 10.054 -9.074 2.771 1.00 0.00 C ATOM 764 O GLU A 45 9.917 -10.173 2.230 1.00 0.00 O ATOM 765 CB GLU A 45 12.452 -8.612 3.352 1.00 0.00 C ATOM 766 CG GLU A 45 13.794 -8.537 2.641 1.00 0.00 C ATOM 767 CD GLU A 45 14.958 -8.865 3.556 1.00 0.00 C ATOM 768 OE1 GLU A 45 15.258 -8.049 4.453 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.571 -9.939 3.376 1.00 0.00 O ATOM 0 H GLU A 45 11.554 -6.314 3.348 1.00 0.00 H new ATOM 0 HA GLU A 45 11.552 -8.332 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.481 -7.972 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.293 -9.631 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.793 -9.228 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.929 -7.536 2.232 1.00 0.00 H new ATOM 776 N ASN A 46 9.166 -8.569 3.627 1.00 0.00 N ATOM 777 CA ASN A 46 7.950 -9.283 3.992 1.00 0.00 C ATOM 778 C ASN A 46 7.000 -9.356 2.803 1.00 0.00 C ATOM 779 O ASN A 46 6.277 -10.336 2.625 1.00 0.00 O ATOM 780 CB ASN A 46 7.248 -8.554 5.139 1.00 0.00 C ATOM 781 CG ASN A 46 7.614 -9.080 6.509 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.502 -9.921 6.655 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.916 -8.581 7.526 1.00 0.00 N ATOM 0 H ASN A 46 9.270 -7.662 4.081 1.00 0.00 H new ATOM 0 HA ASN A 46 8.222 -10.292 4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.495 -7.494 5.089 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.170 -8.637 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.107 -8.894 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.190 -7.886 7.354 1.00 0.00 H new ATOM 790 N LEU A 47 6.991 -8.286 2.016 1.00 0.00 N ATOM 791 CA LEU A 47 6.114 -8.193 0.857 1.00 0.00 C ATOM 792 C LEU A 47 6.492 -9.189 -0.236 1.00 0.00 C ATOM 793 O LEU A 47 5.753 -9.353 -1.205 1.00 0.00 O ATOM 794 CB LEU A 47 6.105 -6.775 0.274 1.00 0.00 C ATOM 795 CG LEU A 47 6.528 -5.651 1.222 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.561 -4.331 0.487 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.600 -5.559 2.417 1.00 0.00 C ATOM 0 H LEU A 47 7.584 -7.469 2.161 1.00 0.00 H new ATOM 0 HA LEU A 47 5.114 -8.440 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.764 -6.757 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.099 -6.559 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 47 7.528 -5.881 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.863 -3.540 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.274 -4.390 -0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.569 -4.109 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.928 -4.751 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.585 -5.359 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.619 -6.500 2.966 1.00 0.00 H new ATOM 809 N SER A 48 7.656 -9.825 -0.120 1.00 0.00 N ATOM 810 CA SER A 48 8.098 -10.779 -1.137 1.00 0.00 C ATOM 811 C SER A 48 6.930 -11.621 -1.645 1.00 0.00 C ATOM 812 O SER A 48 6.647 -11.654 -2.842 1.00 0.00 O ATOM 813 CB SER A 48 9.186 -11.692 -0.569 1.00 0.00 C ATOM 814 OG SER A 48 8.728 -12.374 0.585 1.00 0.00 O ATOM 0 H SER A 48 8.304 -9.700 0.658 1.00 0.00 H new ATOM 0 HA SER A 48 8.504 -10.213 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.490 -12.415 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.068 -11.101 -0.320 1.00 0.00 H new ATOM 0 HG SER A 48 8.980 -11.868 1.386 1.00 0.00 H new ATOM 820 N GLY A 49 6.267 -12.306 -0.723 1.00 0.00 N ATOM 821 CA GLY A 49 5.147 -13.147 -1.086 1.00 0.00 C ATOM 822 C GLY A 49 3.954 -12.374 -1.623 1.00 0.00 C ATOM 823 O GLY A 49 3.104 -12.950 -2.303 1.00 0.00 O ATOM 0 H GLY A 49 6.487 -12.293 0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.472 -13.866 -1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.835 -13.719 -0.212 1.00 0.00 H new ATOM 827 N CYS A 50 3.859 -11.080 -1.307 1.00 0.00 N ATOM 828 CA CYS A 50 2.726 -10.280 -1.772 1.00 0.00 C ATOM 829 C CYS A 50 2.533 -10.422 -3.277 1.00 0.00 C ATOM 830 O CYS A 50 1.547 -11.013 -3.718 1.00 0.00 O ATOM 831 CB CYS A 50 2.873 -8.806 -1.374 1.00 0.00 C ATOM 832 SG CYS A 50 1.546 -8.212 -0.301 1.00 0.00 S ATOM 0 H CYS A 50 4.540 -10.572 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 50 1.833 -10.665 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.828 -8.668 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.900 -8.195 -2.276 1.00 0.00 H new ATOM 0 HG CYS A 50 1.702 -6.940 -0.081 1.00 0.00 H new ATOM 838 N SER A 51 3.461 -9.898 -4.069 1.00 0.00 N ATOM 839 CA SER A 51 3.404 -9.982 -5.533 1.00 0.00 C ATOM 840 C SER A 51 2.469 -8.944 -6.154 1.00 0.00 C ATOM 841 O SER A 51 2.916 -8.059 -6.894 1.00 0.00 O ATOM 842 CB SER A 51 2.986 -11.387 -5.977 1.00 0.00 C ATOM 843 OG SER A 51 3.507 -11.692 -7.260 1.00 0.00 O ATOM 0 H SER A 51 4.279 -9.400 -3.718 1.00 0.00 H new ATOM 0 HA SER A 51 4.410 -9.766 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.340 -12.121 -5.253 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.898 -11.457 -5.996 1.00 0.00 H new ATOM 0 HG SER A 51 3.228 -12.595 -7.520 1.00 0.00 H new ATOM 849 N ALA A 52 1.183 -9.031 -5.852 1.00 0.00 N ATOM 850 CA ALA A 52 0.225 -8.083 -6.400 1.00 0.00 C ATOM 851 C ALA A 52 0.459 -6.699 -5.822 1.00 0.00 C ATOM 852 O ALA A 52 0.532 -5.703 -6.547 1.00 0.00 O ATOM 853 CB ALA A 52 -1.195 -8.546 -6.122 1.00 0.00 C ATOM 0 H ALA A 52 0.782 -9.739 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 52 0.365 -8.032 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.900 -7.827 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.357 -9.521 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.348 -8.624 -5.046 1.00 0.00 H new ATOM 859 N VAL A 53 0.571 -6.648 -4.506 1.00 0.00 N ATOM 860 CA VAL A 53 0.789 -5.398 -3.811 1.00 0.00 C ATOM 861 C VAL A 53 2.039 -4.685 -4.309 1.00 0.00 C ATOM 862 O VAL A 53 2.006 -3.478 -4.610 1.00 0.00 O ATOM 863 CB VAL A 53 0.874 -5.619 -2.286 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.160 -4.320 -1.543 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.412 -6.256 -1.777 1.00 0.00 C ATOM 0 H VAL A 53 0.514 -7.464 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.069 -4.760 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 53 1.707 -6.295 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.212 -4.517 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.110 -3.908 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.362 -3.604 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.341 -6.408 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.255 -5.600 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.562 -7.217 -2.270 1.00 0.00 H new ATOM 875 N LEU A 54 3.137 -5.419 -4.435 1.00 0.00 N ATOM 876 CA LEU A 54 4.360 -4.827 -4.929 1.00 0.00 C ATOM 877 C LEU A 54 4.134 -4.322 -6.333 1.00 0.00 C ATOM 878 O LEU A 54 4.643 -3.282 -6.707 1.00 0.00 O ATOM 879 CB LEU A 54 5.507 -5.842 -4.941 1.00 0.00 C ATOM 880 CG LEU A 54 5.887 -6.435 -3.584 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.157 -7.264 -3.709 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.066 -5.331 -2.548 1.00 0.00 C ATOM 0 H LEU A 54 3.200 -6.411 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 54 4.634 -4.007 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.237 -6.659 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.388 -5.361 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 54 5.079 -7.086 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.417 -7.681 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.994 -8.075 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.971 -6.631 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.336 -5.773 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.856 -4.654 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.134 -4.777 -2.442 1.00 0.00 H new ATOM 894 N ALA A 55 3.372 -5.081 -7.107 1.00 0.00 N ATOM 895 CA ALA A 55 3.091 -4.714 -8.484 1.00 0.00 C ATOM 896 C ALA A 55 2.395 -3.359 -8.608 1.00 0.00 C ATOM 897 O ALA A 55 2.782 -2.551 -9.465 1.00 0.00 O ATOM 898 CB ALA A 55 2.268 -5.795 -9.164 1.00 0.00 C ATOM 0 H ALA A 55 2.939 -5.953 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 55 4.054 -4.621 -8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.066 -5.504 -10.195 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.821 -6.734 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.325 -5.923 -8.632 1.00 0.00 H new ATOM 904 N GLU A 56 1.370 -3.076 -7.784 1.00 0.00 N ATOM 905 CA GLU A 56 0.704 -1.798 -7.921 1.00 0.00 C ATOM 906 C GLU A 56 1.665 -0.709 -7.496 1.00 0.00 C ATOM 907 O GLU A 56 1.742 0.352 -8.117 1.00 0.00 O ATOM 908 CB GLU A 56 -0.574 -1.727 -7.080 1.00 0.00 C ATOM 909 CG GLU A 56 -0.458 -0.820 -5.869 1.00 0.00 C ATOM 910 CD GLU A 56 -1.810 -0.359 -5.351 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.828 -0.624 -6.026 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.851 0.267 -4.271 1.00 0.00 O ATOM 0 H GLU A 56 1.009 -3.690 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 56 0.410 -1.666 -8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.393 -1.376 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.835 -2.731 -6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.071 -1.347 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.143 0.051 -6.129 1.00 0.00 H new ATOM 919 N TRP A 57 2.415 -0.978 -6.431 1.00 0.00 N ATOM 920 CA TRP A 57 3.359 0.001 -5.944 1.00 0.00 C ATOM 921 C TRP A 57 4.349 0.374 -7.041 1.00 0.00 C ATOM 922 O TRP A 57 4.408 1.534 -7.430 1.00 0.00 O ATOM 923 CB TRP A 57 4.059 -0.497 -4.680 1.00 0.00 C ATOM 924 CG TRP A 57 4.616 0.621 -3.860 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.868 0.699 -3.347 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.948 1.834 -3.482 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.028 1.876 -2.683 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.866 2.596 -2.753 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.664 2.350 -3.696 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.550 3.851 -2.237 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.352 3.592 -3.183 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.294 4.332 -2.462 1.00 0.00 C ATOM 0 H TRP A 57 2.384 -1.850 -5.903 1.00 0.00 H new ATOM 0 HA TRP A 57 2.817 0.906 -5.670 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.353 -1.069 -4.078 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.865 -1.177 -4.958 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.628 -0.062 -3.450 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.880 2.175 -2.208 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.931 1.786 -4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.275 4.423 -1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.364 3.999 -3.341 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.022 5.303 -2.076 1.00 0.00 H new ATOM 943 N LYS A 58 5.112 -0.593 -7.566 1.00 0.00 N ATOM 944 CA LYS A 58 6.063 -0.298 -8.639 1.00 0.00 C ATOM 945 C LYS A 58 5.403 0.539 -9.723 1.00 0.00 C ATOM 946 O LYS A 58 5.853 1.640 -10.038 1.00 0.00 O ATOM 947 CB LYS A 58 6.666 -1.568 -9.261 1.00 0.00 C ATOM 948 CG LYS A 58 5.942 -2.838 -8.918 1.00 0.00 C ATOM 949 CD LYS A 58 6.096 -3.882 -10.016 1.00 0.00 C ATOM 950 CE LYS A 58 6.370 -5.260 -9.436 1.00 0.00 C ATOM 951 NZ LYS A 58 7.828 -5.544 -9.332 1.00 0.00 N ATOM 0 H LYS A 58 5.090 -1.569 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 58 6.879 0.265 -8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.679 -1.454 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.703 -1.658 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.328 -3.236 -7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.884 -2.625 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.189 -3.913 -10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.912 -3.596 -10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.915 -5.334 -8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.897 -6.017 -10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.969 -6.494 -8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.259 -5.499 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.276 -4.838 -8.714 1.00 0.00 H new ATOM 965 N ARG A 59 4.325 0.011 -10.290 1.00 0.00 N ATOM 966 CA ARG A 59 3.602 0.718 -11.337 1.00 0.00 C ATOM 967 C ARG A 59 3.285 2.158 -10.918 1.00 0.00 C ATOM 968 O ARG A 59 3.161 3.043 -11.763 1.00 0.00 O ATOM 969 CB ARG A 59 2.316 -0.036 -11.676 1.00 0.00 C ATOM 970 CG ARG A 59 2.567 -1.361 -12.380 1.00 0.00 C ATOM 971 CD ARG A 59 1.353 -1.821 -13.168 1.00 0.00 C ATOM 972 NE ARG A 59 1.501 -3.197 -13.641 1.00 0.00 N ATOM 973 CZ ARG A 59 1.225 -4.271 -12.903 1.00 0.00 C ATOM 974 NH1 ARG A 59 0.776 -4.137 -11.661 1.00 0.00 N ATOM 975 NH2 ARG A 59 1.398 -5.484 -13.411 1.00 0.00 N ATOM 0 H ARG A 59 3.935 -0.899 -10.044 1.00 0.00 H new ATOM 0 HA ARG A 59 4.235 0.763 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.757 -0.220 -10.758 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.690 0.592 -12.310 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.419 -1.260 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.831 -2.120 -11.643 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.464 -1.746 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.200 -1.158 -14.020 1.00 0.00 H new ATOM 0 HE ARG A 59 1.836 -3.343 -14.593 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.640 -3.207 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.567 -4.964 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.742 -5.593 -14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.187 -6.308 -12.848 1.00 0.00 H new ATOM 989 N ARG A 60 3.139 2.377 -9.610 1.00 0.00 N ATOM 990 CA ARG A 60 2.810 3.703 -9.071 1.00 0.00 C ATOM 991 C ARG A 60 4.046 4.481 -8.592 1.00 0.00 C ATOM 992 O ARG A 60 4.028 5.710 -8.532 1.00 0.00 O ATOM 993 CB ARG A 60 1.817 3.549 -7.917 1.00 0.00 C ATOM 994 CG ARG A 60 0.363 3.684 -8.344 1.00 0.00 C ATOM 995 CD ARG A 60 -0.231 2.339 -8.733 1.00 0.00 C ATOM 996 NE ARG A 60 -1.620 2.457 -9.175 1.00 0.00 N ATOM 997 CZ ARG A 60 -2.643 2.687 -8.356 1.00 0.00 C ATOM 998 NH1 ARG A 60 -2.442 2.829 -7.052 1.00 0.00 N ATOM 999 NH2 ARG A 60 -3.875 2.774 -8.843 1.00 0.00 N ATOM 0 H ARG A 60 3.243 1.652 -8.900 1.00 0.00 H new ATOM 0 HA ARG A 60 2.369 4.281 -9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.962 2.574 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.035 4.300 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.218 4.117 -7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.293 4.371 -9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.366 1.897 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.179 1.660 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.816 2.357 -10.171 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.498 2.762 -6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.231 3.005 -6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.037 2.665 -9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.660 2.950 -8.216 1.00 0.00 H new ATOM 1013 N LYS A 61 5.089 3.755 -8.212 1.00 0.00 N ATOM 1014 CA LYS A 61 6.333 4.350 -7.691 1.00 0.00 C ATOM 1015 C LYS A 61 6.781 5.616 -8.421 1.00 0.00 C ATOM 1016 O LYS A 61 7.570 6.386 -7.875 1.00 0.00 O ATOM 1017 CB LYS A 61 7.477 3.333 -7.710 1.00 0.00 C ATOM 1018 CG LYS A 61 7.274 2.164 -6.759 1.00 0.00 C ATOM 1019 CD LYS A 61 8.246 2.193 -5.588 1.00 0.00 C ATOM 1020 CE LYS A 61 8.238 3.534 -4.871 1.00 0.00 C ATOM 1021 NZ LYS A 61 6.878 3.915 -4.399 1.00 0.00 N ATOM 0 H LYS A 61 5.106 2.736 -8.253 1.00 0.00 H new ATOM 0 HA LYS A 61 6.095 4.641 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.593 2.949 -8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.407 3.841 -7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.252 2.181 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.396 1.229 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.987 1.404 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.253 1.981 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.917 3.492 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.616 4.305 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.813 4.951 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.167 3.568 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.704 3.492 -3.465 1.00 0.00 H new ATOM 1035 N ARG A 62 6.319 5.836 -9.644 1.00 0.00 N ATOM 1036 CA ARG A 62 6.742 7.036 -10.386 1.00 0.00 C ATOM 1037 C ARG A 62 6.627 8.271 -9.497 1.00 0.00 C ATOM 1038 O ARG A 62 7.591 8.993 -9.267 1.00 0.00 O ATOM 1039 CB ARG A 62 5.886 7.243 -11.645 1.00 0.00 C ATOM 1040 CG ARG A 62 5.452 5.960 -12.336 1.00 0.00 C ATOM 1041 CD ARG A 62 4.544 6.256 -13.520 1.00 0.00 C ATOM 1042 NE ARG A 62 3.405 7.091 -13.141 1.00 0.00 N ATOM 1043 CZ ARG A 62 2.293 6.622 -12.576 1.00 0.00 C ATOM 1044 NH1 ARG A 62 2.164 5.325 -12.325 1.00 0.00 N ATOM 1045 NH2 ARG A 62 1.309 7.451 -12.259 1.00 0.00 N ATOM 0 H ARG A 62 5.670 5.225 -10.140 1.00 0.00 H new ATOM 0 HA ARG A 62 7.779 6.890 -10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.997 7.812 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.449 7.850 -12.355 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.330 5.411 -12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.931 5.319 -11.625 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.117 6.757 -14.300 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.182 5.319 -13.942 1.00 0.00 H new ATOM 0 HE ARG A 62 3.465 8.093 -13.320 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.918 4.682 -12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.311 4.972 -11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.402 8.449 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.458 7.091 -11.827 1.00 0.00 H new ATOM 1059 N ARG A 63 5.414 8.485 -9.041 1.00 0.00 N ATOM 1060 CA ARG A 63 5.052 9.620 -8.183 1.00 0.00 C ATOM 1061 C ARG A 63 6.221 10.176 -7.349 1.00 0.00 C ATOM 1062 O ARG A 63 6.417 11.389 -7.294 1.00 0.00 O ATOM 1063 CB ARG A 63 3.908 9.227 -7.251 1.00 0.00 C ATOM 1064 CG ARG A 63 3.367 10.396 -6.445 1.00 0.00 C ATOM 1065 CD ARG A 63 1.886 10.624 -6.701 1.00 0.00 C ATOM 1066 NE ARG A 63 1.352 11.711 -5.883 1.00 0.00 N ATOM 1067 CZ ARG A 63 0.255 12.401 -6.188 1.00 0.00 C ATOM 1068 NH1 ARG A 63 -0.432 12.121 -7.289 1.00 0.00 N ATOM 1069 NH2 ARG A 63 -0.158 13.375 -5.388 1.00 0.00 N ATOM 0 H ARG A 63 4.628 7.871 -9.253 1.00 0.00 H new ATOM 0 HA ARG A 63 4.746 10.418 -8.860 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.099 8.795 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.254 8.452 -6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.527 10.210 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.922 11.299 -6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.731 10.853 -7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.336 9.707 -6.490 1.00 0.00 H new ATOM 0 HE ARG A 63 1.850 11.956 -5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.120 11.373 -7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.271 12.654 -7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.365 13.595 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.998 13.904 -5.621 1.00 0.00 H new ATOM 1083 N LEU A 64 6.957 9.303 -6.656 1.00 0.00 N ATOM 1084 CA LEU A 64 8.054 9.755 -5.788 1.00 0.00 C ATOM 1085 C LEU A 64 9.011 10.738 -6.462 1.00 0.00 C ATOM 1086 O LEU A 64 9.056 10.848 -7.687 1.00 0.00 O ATOM 1087 CB LEU A 64 8.833 8.579 -5.185 1.00 0.00 C ATOM 1088 CG LEU A 64 9.821 7.822 -6.086 1.00 0.00 C ATOM 1089 CD1 LEU A 64 9.488 6.354 -6.044 1.00 0.00 C ATOM 1090 CD2 LEU A 64 9.812 8.317 -7.524 1.00 0.00 C ATOM 0 H LEU A 64 6.819 8.293 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 64 7.564 10.300 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.387 8.954 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.108 7.858 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 64 10.826 8.003 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.182 5.805 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.570 5.991 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.470 6.201 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.530 7.744 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.815 8.190 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.084 9.372 -7.547 1.00 0.00 H new ATOM 1102 N LYS A 65 9.781 11.436 -5.621 1.00 0.00 N ATOM 1103 CA LYS A 65 10.779 12.422 -6.056 1.00 0.00 C ATOM 1104 C LYS A 65 10.507 12.981 -7.455 1.00 0.00 C ATOM 1105 O LYS A 65 9.840 14.005 -7.603 1.00 0.00 O ATOM 1106 CB LYS A 65 12.180 11.804 -6.000 1.00 0.00 C ATOM 1107 CG LYS A 65 12.832 11.885 -4.629 1.00 0.00 C ATOM 1108 CD LYS A 65 12.421 10.717 -3.746 1.00 0.00 C ATOM 1109 CE LYS A 65 13.201 9.458 -4.089 1.00 0.00 C ATOM 1110 NZ LYS A 65 12.633 8.254 -3.422 1.00 0.00 N ATOM 0 H LYS A 65 9.729 11.332 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 65 10.711 13.264 -5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.118 10.758 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.818 12.308 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.916 11.894 -4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.553 12.822 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.586 10.975 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.354 10.529 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.196 9.311 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.241 9.582 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.183 7.414 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.676 8.376 -2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.643 8.130 -3.715 1.00 0.00 H new ATOM 1124 N GLY A 66 11.048 12.318 -8.476 1.00 0.00 N ATOM 1125 CA GLY A 66 10.870 12.774 -9.844 1.00 0.00 C ATOM 1126 C GLY A 66 12.183 13.201 -10.474 1.00 0.00 C ATOM 1127 O GLY A 66 13.224 13.186 -9.818 1.00 0.00 O ATOM 0 H GLY A 66 11.608 11.471 -8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.425 11.975 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.171 13.610 -9.860 1.00 0.00 H new ATOM 1131 N SER A 67 12.136 13.583 -11.747 1.00 0.00 N ATOM 1132 CA SER A 67 13.335 14.012 -12.463 1.00 0.00 C ATOM 1133 C SER A 67 14.289 12.839 -12.674 1.00 0.00 C ATOM 1134 O SER A 67 14.451 12.353 -13.793 1.00 0.00 O ATOM 1135 CB SER A 67 14.046 15.134 -11.701 1.00 0.00 C ATOM 1136 OG SER A 67 14.541 16.120 -12.589 1.00 0.00 O ATOM 0 H SER A 67 11.282 13.605 -12.304 1.00 0.00 H new ATOM 0 HA SER A 67 13.027 14.390 -13.438 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.355 15.592 -10.993 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.869 14.718 -11.119 1.00 0.00 H new ATOM 0 HG SER A 67 14.989 16.826 -12.077 1.00 0.00 H new ATOM 1142 N ASN A 68 14.909 12.384 -11.591 1.00 0.00 N ATOM 1143 CA ASN A 68 15.841 11.263 -11.657 1.00 0.00 C ATOM 1144 C ASN A 68 15.110 9.940 -11.457 1.00 0.00 C ATOM 1145 O ASN A 68 13.915 9.919 -11.164 1.00 0.00 O ATOM 1146 CB ASN A 68 16.942 11.416 -10.604 1.00 0.00 C ATOM 1147 CG ASN A 68 16.397 11.794 -9.240 1.00 0.00 C ATOM 1148 OD1 ASN A 68 16.489 12.948 -8.820 1.00 0.00 O ATOM 1149 ND2 ASN A 68 15.823 10.821 -8.541 1.00 0.00 N ATOM 0 H ASN A 68 14.784 12.774 -10.657 1.00 0.00 H new ATOM 0 HA ASN A 68 16.298 11.263 -12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 68 17.495 10.480 -10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.650 12.177 -10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.437 11.016 -7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.769 9.879 -8.928 1.00 0.00 H new ATOM 1156 N SER A 69 15.839 8.838 -11.610 1.00 0.00 N ATOM 1157 CA SER A 69 15.262 7.507 -11.444 1.00 0.00 C ATOM 1158 C SER A 69 14.252 7.213 -12.549 1.00 0.00 C ATOM 1159 O SER A 69 14.521 6.310 -13.370 1.00 0.00 O ATOM 1160 CB SER A 69 14.589 7.377 -10.075 1.00 0.00 C ATOM 1161 OG SER A 69 14.125 6.056 -9.859 1.00 0.00 O ATOM 1162 OXT SER A 69 13.201 7.887 -12.584 1.00 0.00 O ATOM 0 H SER A 69 16.831 8.840 -11.849 1.00 0.00 H new ATOM 0 HA SER A 69 16.072 6.780 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.296 7.650 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.754 8.075 -10.009 1.00 0.00 H new ATOM 0 HG SER A 69 13.701 5.998 -8.977 1.00 0.00 H new TER 1168 SER A 69