USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 GLN : amide:sc= 0.804 K(o=0.8,f=-6!) USER MOD Single : A 1 GLN N :NH3+ 147:sc= 1.27 (180deg=0.941) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 50:sc= -0.541 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.143 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.472 K(o=0.47,f=-5.3!) USER MOD Single : A 46 SER OG : rot 170:sc= 1.03 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.188 X(o=-0.19,f=-0.63) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 25.694 -24.997 -9.103 1.00 0.00 N ATOM 2 CA GLN A 1 24.391 -25.003 -8.366 1.00 0.00 C ATOM 3 C GLN A 1 23.229 -25.211 -9.341 1.00 0.00 C ATOM 4 O GLN A 1 23.413 -25.241 -10.542 1.00 0.00 O ATOM 5 CB GLN A 1 24.291 -23.625 -7.699 1.00 0.00 C ATOM 6 CG GLN A 1 25.037 -23.641 -6.359 1.00 0.00 C ATOM 7 CD GLN A 1 26.444 -23.062 -6.542 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.219 -23.559 -7.336 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.813 -22.029 -5.834 1.00 0.00 N ATOM 0 H1 GLN A 1 26.357 -24.349 -8.631 1.00 0.00 H new ATOM 0 H2 GLN A 1 26.094 -25.957 -9.109 1.00 0.00 H new ATOM 0 H3 GLN A 1 25.538 -24.680 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 1 24.342 -25.810 -7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.715 -22.863 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.245 -23.363 -7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.487 -23.059 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.100 -24.661 -5.979 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.165 -21.610 -5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.749 -21.641 -5.948 1.00 0.00 H new ATOM 20 N VAL A 2 22.032 -25.354 -8.818 1.00 0.00 N ATOM 21 CA VAL A 2 20.824 -25.565 -9.685 1.00 0.00 C ATOM 22 C VAL A 2 21.061 -26.737 -10.650 1.00 0.00 C ATOM 23 O VAL A 2 21.262 -26.546 -11.836 1.00 0.00 O ATOM 24 CB VAL A 2 20.626 -24.247 -10.451 1.00 0.00 C ATOM 25 CG1 VAL A 2 19.311 -24.300 -11.234 1.00 0.00 C ATOM 26 CG2 VAL A 2 20.577 -23.074 -9.464 1.00 0.00 C ATOM 0 H VAL A 2 21.838 -25.333 -7.817 1.00 0.00 H new ATOM 0 HA VAL A 2 19.939 -25.816 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 2 21.459 -24.108 -11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.173 -23.365 -11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.342 -25.129 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.481 -24.445 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 2 20.437 -22.143 -10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 2 19.747 -23.216 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 2 21.512 -23.029 -8.906 1.00 0.00 H new ATOM 36 N TYR A 3 21.043 -27.946 -10.133 1.00 0.00 N ATOM 37 CA TYR A 3 21.269 -29.166 -10.980 1.00 0.00 C ATOM 38 C TYR A 3 22.722 -29.214 -11.481 1.00 0.00 C ATOM 39 O TYR A 3 23.319 -28.199 -11.781 1.00 0.00 O ATOM 40 CB TYR A 3 20.289 -29.054 -12.156 1.00 0.00 C ATOM 41 CG TYR A 3 19.808 -30.430 -12.544 1.00 0.00 C ATOM 42 CD1 TYR A 3 20.540 -31.197 -13.458 1.00 0.00 C ATOM 43 CD2 TYR A 3 18.628 -30.942 -11.988 1.00 0.00 C ATOM 44 CE1 TYR A 3 20.094 -32.475 -13.816 1.00 0.00 C ATOM 45 CE2 TYR A 3 18.182 -32.219 -12.346 1.00 0.00 C ATOM 46 CZ TYR A 3 18.915 -32.985 -13.260 1.00 0.00 C ATOM 47 OH TYR A 3 18.475 -34.244 -13.613 1.00 0.00 O ATOM 0 H TYR A 3 20.879 -28.142 -9.146 1.00 0.00 H new ATOM 0 HA TYR A 3 21.102 -30.082 -10.413 1.00 0.00 H new ATOM 0 HB2 TYR A 3 19.442 -28.426 -11.879 1.00 0.00 H new ATOM 0 HB3 TYR A 3 20.777 -28.575 -13.005 1.00 0.00 H new ATOM 0 HD1 TYR A 3 21.449 -30.803 -13.887 1.00 0.00 H new ATOM 0 HD2 TYR A 3 18.063 -30.351 -11.283 1.00 0.00 H new ATOM 0 HE1 TYR A 3 20.659 -33.067 -14.521 1.00 0.00 H new ATOM 0 HE2 TYR A 3 17.273 -32.613 -11.917 1.00 0.00 H new ATOM 0 HH TYR A 3 17.643 -34.445 -13.136 1.00 0.00 H new ATOM 57 N LYS A 4 23.288 -30.398 -11.571 1.00 0.00 N ATOM 58 CA LYS A 4 24.704 -30.542 -12.048 1.00 0.00 C ATOM 59 C LYS A 4 25.659 -29.711 -11.175 1.00 0.00 C ATOM 60 O LYS A 4 26.050 -28.613 -11.530 1.00 0.00 O ATOM 61 CB LYS A 4 24.700 -30.037 -13.498 1.00 0.00 C ATOM 62 CG LYS A 4 26.033 -30.383 -14.169 1.00 0.00 C ATOM 63 CD LYS A 4 26.630 -29.121 -14.801 1.00 0.00 C ATOM 64 CE LYS A 4 28.149 -29.281 -14.937 1.00 0.00 C ATOM 65 NZ LYS A 4 28.367 -29.819 -16.312 1.00 0.00 N ATOM 0 H LYS A 4 22.826 -31.276 -11.333 1.00 0.00 H new ATOM 0 HA LYS A 4 25.051 -31.573 -11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 4 23.876 -30.491 -14.049 1.00 0.00 H new ATOM 0 HB3 LYS A 4 24.541 -28.959 -13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.725 -30.797 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 4 25.881 -31.147 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 4 26.184 -28.947 -15.780 1.00 0.00 H new ATOM 0 HD3 LYS A 4 26.400 -28.251 -14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.659 -28.327 -14.803 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.542 -29.961 -14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 29.385 -29.953 -16.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 27.877 -30.731 -16.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 27.990 -29.148 -17.011 1.00 0.00 H new ATOM 79 N GLY A 5 26.038 -30.233 -10.035 1.00 0.00 N ATOM 80 CA GLY A 5 26.967 -29.487 -9.136 1.00 0.00 C ATOM 81 C GLY A 5 27.597 -30.454 -8.129 1.00 0.00 C ATOM 82 O GLY A 5 26.903 -31.156 -7.417 1.00 0.00 O ATOM 0 H GLY A 5 25.743 -31.146 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 5 27.745 -29.001 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 5 26.426 -28.700 -8.610 1.00 0.00 H new ATOM 86 N GLY A 6 28.905 -30.496 -8.066 1.00 0.00 N ATOM 87 CA GLY A 6 29.588 -31.415 -7.109 1.00 0.00 C ATOM 88 C GLY A 6 29.611 -30.784 -5.714 1.00 0.00 C ATOM 89 O GLY A 6 30.621 -30.265 -5.277 1.00 0.00 O ATOM 0 H GLY A 6 29.530 -29.930 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 6 29.069 -32.373 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 6 30.605 -31.615 -7.445 1.00 0.00 H new ATOM 93 N TYR A 7 28.504 -30.823 -5.014 1.00 0.00 N ATOM 94 CA TYR A 7 28.451 -30.228 -3.647 1.00 0.00 C ATOM 95 C TYR A 7 27.712 -31.172 -2.691 1.00 0.00 C ATOM 96 O TYR A 7 26.506 -31.316 -2.759 1.00 0.00 O ATOM 97 CB TYR A 7 27.681 -28.913 -3.814 1.00 0.00 C ATOM 98 CG TYR A 7 28.620 -27.833 -4.304 1.00 0.00 C ATOM 99 CD1 TYR A 7 29.396 -27.112 -3.389 1.00 0.00 C ATOM 100 CD2 TYR A 7 28.713 -27.556 -5.673 1.00 0.00 C ATOM 101 CE1 TYR A 7 30.264 -26.113 -3.844 1.00 0.00 C ATOM 102 CE2 TYR A 7 29.582 -26.558 -6.128 1.00 0.00 C ATOM 103 CZ TYR A 7 30.358 -25.836 -5.213 1.00 0.00 C ATOM 104 OH TYR A 7 31.215 -24.853 -5.663 1.00 0.00 O ATOM 0 H TYR A 7 27.632 -31.244 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 7 29.443 -30.064 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 7 26.863 -29.046 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 7 27.235 -28.618 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 7 29.325 -27.326 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.114 -28.113 -6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 7 30.862 -25.555 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 7 29.654 -26.345 -7.184 1.00 0.00 H new ATOM 0 HH TYR A 7 31.158 -24.791 -6.639 1.00 0.00 H new ATOM 114 N ALA A 8 28.430 -31.817 -1.805 1.00 0.00 N ATOM 115 CA ALA A 8 27.777 -32.757 -0.841 1.00 0.00 C ATOM 116 C ALA A 8 26.967 -31.974 0.199 1.00 0.00 C ATOM 117 O ALA A 8 25.790 -32.215 0.388 1.00 0.00 O ATOM 118 CB ALA A 8 28.927 -33.514 -0.172 1.00 0.00 C ATOM 0 H ALA A 8 29.442 -31.733 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 8 27.083 -33.435 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 8 28.524 -34.224 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 8 29.498 -34.051 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 8 29.579 -32.806 0.340 1.00 0.00 H new ATOM 124 N ARG A 9 27.588 -31.034 0.873 1.00 0.00 N ATOM 125 CA ARG A 9 26.857 -30.231 1.896 1.00 0.00 C ATOM 126 C ARG A 9 27.233 -28.744 1.769 1.00 0.00 C ATOM 127 O ARG A 9 27.984 -28.220 2.572 1.00 0.00 O ATOM 128 CB ARG A 9 27.306 -30.804 3.247 1.00 0.00 C ATOM 129 CG ARG A 9 26.077 -31.137 4.096 1.00 0.00 C ATOM 130 CD ARG A 9 25.699 -32.610 3.898 1.00 0.00 C ATOM 131 NE ARG A 9 24.731 -32.918 4.993 1.00 0.00 N ATOM 132 CZ ARG A 9 25.150 -33.033 6.226 1.00 0.00 C ATOM 133 NH1 ARG A 9 25.810 -34.100 6.593 1.00 0.00 N ATOM 134 NH2 ARG A 9 24.909 -32.081 7.090 1.00 0.00 N ATOM 0 H ARG A 9 28.572 -30.791 0.756 1.00 0.00 H new ATOM 0 HA ARG A 9 25.775 -30.288 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 9 27.907 -31.700 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 9 27.936 -30.083 3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 9 26.286 -30.943 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.242 -30.496 3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 9 25.250 -32.773 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 9 26.577 -33.253 3.957 1.00 0.00 H new ATOM 0 HE ARG A 9 23.741 -33.039 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.997 -34.841 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 9 26.138 -34.191 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 9 24.394 -31.249 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 9 25.236 -32.171 8.052 1.00 0.00 H new ATOM 148 N PRO A 10 26.687 -28.110 0.756 1.00 0.00 N ATOM 149 CA PRO A 10 26.962 -26.670 0.518 1.00 0.00 C ATOM 150 C PRO A 10 26.220 -25.811 1.554 1.00 0.00 C ATOM 151 O PRO A 10 25.106 -25.375 1.329 1.00 0.00 O ATOM 152 CB PRO A 10 26.423 -26.429 -0.892 1.00 0.00 C ATOM 153 CG PRO A 10 25.384 -27.486 -1.099 1.00 0.00 C ATOM 154 CD PRO A 10 25.775 -28.670 -0.253 1.00 0.00 C ATOM 0 HA PRO A 10 28.016 -26.409 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.994 -25.431 -0.985 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.216 -26.505 -1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 10 24.399 -27.118 -0.813 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.326 -27.767 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.904 -29.132 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.265 -29.440 -0.849 1.00 0.00 H new ATOM 162 N ILE A 11 26.836 -25.580 2.693 1.00 0.00 N ATOM 163 CA ILE A 11 26.191 -24.763 3.774 1.00 0.00 C ATOM 164 C ILE A 11 24.839 -25.383 4.171 1.00 0.00 C ATOM 165 O ILE A 11 23.792 -24.889 3.795 1.00 0.00 O ATOM 166 CB ILE A 11 26.007 -23.353 3.182 1.00 0.00 C ATOM 167 CG1 ILE A 11 27.354 -22.818 2.669 1.00 0.00 C ATOM 168 CG2 ILE A 11 25.465 -22.407 4.259 1.00 0.00 C ATOM 169 CD1 ILE A 11 28.393 -22.840 3.794 1.00 0.00 C ATOM 0 H ILE A 11 27.768 -25.927 2.921 1.00 0.00 H new ATOM 0 HA ILE A 11 26.798 -24.729 4.679 1.00 0.00 H new ATOM 0 HB ILE A 11 25.301 -23.408 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 11 27.700 -23.425 1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 11 27.232 -21.801 2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 11 25.336 -21.410 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 11 24.504 -22.776 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 11 26.169 -22.361 5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 11 29.343 -22.459 3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 11 28.050 -22.214 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 11 28.526 -23.863 4.147 1.00 0.00 H new ATOM 181 N PRO A 12 24.911 -26.461 4.922 1.00 0.00 N ATOM 182 CA PRO A 12 23.682 -27.165 5.374 1.00 0.00 C ATOM 183 C PRO A 12 22.961 -26.357 6.468 1.00 0.00 C ATOM 184 O PRO A 12 23.082 -26.636 7.647 1.00 0.00 O ATOM 185 CB PRO A 12 24.207 -28.492 5.920 1.00 0.00 C ATOM 186 CG PRO A 12 25.626 -28.221 6.308 1.00 0.00 C ATOM 187 CD PRO A 12 26.132 -27.118 5.413 1.00 0.00 C ATOM 0 HA PRO A 12 22.950 -27.300 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.621 -28.825 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.148 -29.279 5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 12 25.688 -27.925 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 12 26.234 -29.118 6.193 1.00 0.00 H new ATOM 0 HD2 PRO A 12 26.766 -26.421 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.729 -27.514 4.591 1.00 0.00 H new ATOM 195 N ARG A 13 22.212 -25.356 6.074 1.00 0.00 N ATOM 196 CA ARG A 13 21.473 -24.520 7.066 1.00 0.00 C ATOM 197 C ARG A 13 20.252 -23.867 6.397 1.00 0.00 C ATOM 198 O ARG A 13 20.242 -23.660 5.198 1.00 0.00 O ATOM 199 CB ARG A 13 22.475 -23.450 7.514 1.00 0.00 C ATOM 200 CG ARG A 13 22.828 -23.661 8.991 1.00 0.00 C ATOM 201 CD ARG A 13 24.338 -23.879 9.135 1.00 0.00 C ATOM 202 NE ARG A 13 24.656 -23.485 10.538 1.00 0.00 N ATOM 203 CZ ARG A 13 24.823 -24.401 11.455 1.00 0.00 C ATOM 204 NH1 ARG A 13 26.004 -24.929 11.643 1.00 0.00 N ATOM 205 NH2 ARG A 13 23.809 -24.787 12.184 1.00 0.00 N ATOM 0 H ARG A 13 22.081 -25.082 5.100 1.00 0.00 H new ATOM 0 HA ARG A 13 21.103 -25.106 7.907 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.376 -23.503 6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.050 -22.457 7.370 1.00 0.00 H new ATOM 0 HG2 ARG A 13 22.518 -22.795 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 13 22.287 -24.522 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 13 24.606 -24.919 8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 13 24.894 -23.273 8.420 1.00 0.00 H new ATOM 0 HE ARG A 13 24.743 -22.499 10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 13 26.795 -24.626 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.135 -25.644 12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.888 -24.373 12.037 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.938 -25.502 12.900 1.00 0.00 H new ATOM 219 N PRO A 14 19.257 -23.565 7.200 1.00 0.00 N ATOM 220 CA PRO A 14 18.016 -22.927 6.678 1.00 0.00 C ATOM 221 C PRO A 14 18.283 -21.467 6.272 1.00 0.00 C ATOM 222 O PRO A 14 18.889 -20.721 7.018 1.00 0.00 O ATOM 223 CB PRO A 14 17.054 -22.998 7.861 1.00 0.00 C ATOM 224 CG PRO A 14 17.932 -23.073 9.070 1.00 0.00 C ATOM 225 CD PRO A 14 19.191 -23.784 8.651 1.00 0.00 C ATOM 0 HA PRO A 14 17.626 -23.418 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.407 -22.121 7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.405 -23.871 7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 14 18.159 -22.075 9.446 1.00 0.00 H new ATOM 0 HG3 PRO A 14 17.434 -23.612 9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 14 20.067 -23.376 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 14 19.149 -24.846 8.893 1.00 0.00 H new ATOM 233 N PRO A 15 17.817 -21.109 5.095 1.00 0.00 N ATOM 234 CA PRO A 15 18.007 -19.724 4.587 1.00 0.00 C ATOM 235 C PRO A 15 17.065 -18.744 5.309 1.00 0.00 C ATOM 236 O PRO A 15 15.940 -19.089 5.625 1.00 0.00 O ATOM 237 CB PRO A 15 17.649 -19.833 3.107 1.00 0.00 C ATOM 238 CG PRO A 15 16.731 -21.011 3.010 1.00 0.00 C ATOM 239 CD PRO A 15 17.081 -21.949 4.139 1.00 0.00 C ATOM 0 HA PRO A 15 19.016 -19.345 4.751 1.00 0.00 H new ATOM 0 HB2 PRO A 15 17.162 -18.925 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 15 18.540 -19.977 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.691 -20.694 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.846 -21.509 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.187 -22.377 4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.691 -22.782 3.789 1.00 0.00 H new ATOM 247 N PRO A 16 17.558 -17.550 5.546 1.00 0.00 N ATOM 248 CA PRO A 16 16.748 -16.515 6.237 1.00 0.00 C ATOM 249 C PRO A 16 15.696 -15.919 5.289 1.00 0.00 C ATOM 250 O PRO A 16 15.649 -16.237 4.114 1.00 0.00 O ATOM 251 CB PRO A 16 17.778 -15.460 6.634 1.00 0.00 C ATOM 252 CG PRO A 16 18.904 -15.624 5.662 1.00 0.00 C ATOM 253 CD PRO A 16 18.898 -17.058 5.200 1.00 0.00 C ATOM 0 HA PRO A 16 16.194 -16.910 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.355 -14.457 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.118 -15.608 7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 16 18.782 -14.948 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 16 19.856 -15.377 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 16 19.083 -17.131 4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.675 -17.639 5.698 1.00 0.00 H new ATOM 261 N PHE A 17 14.857 -15.055 5.798 1.00 0.00 N ATOM 262 CA PHE A 17 13.804 -14.429 4.941 1.00 0.00 C ATOM 263 C PHE A 17 14.401 -13.305 4.089 1.00 0.00 C ATOM 264 O PHE A 17 15.479 -12.808 4.357 1.00 0.00 O ATOM 265 CB PHE A 17 12.765 -13.866 5.917 1.00 0.00 C ATOM 266 CG PHE A 17 11.380 -14.048 5.339 1.00 0.00 C ATOM 267 CD1 PHE A 17 10.719 -15.275 5.479 1.00 0.00 C ATOM 268 CD2 PHE A 17 10.758 -12.990 4.664 1.00 0.00 C ATOM 269 CE1 PHE A 17 9.436 -15.444 4.943 1.00 0.00 C ATOM 270 CE2 PHE A 17 9.476 -13.159 4.129 1.00 0.00 C ATOM 271 CZ PHE A 17 8.815 -14.386 4.268 1.00 0.00 C ATOM 0 H PHE A 17 14.855 -14.755 6.773 1.00 0.00 H new ATOM 0 HA PHE A 17 13.365 -15.149 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.839 -14.375 6.878 1.00 0.00 H new ATOM 0 HB3 PHE A 17 12.958 -12.809 6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.198 -16.090 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.268 -12.044 4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.926 -16.390 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.996 -12.343 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.826 -14.516 3.854 1.00 0.00 H new ATOM 281 N VAL A 18 13.697 -12.909 3.064 1.00 0.00 N ATOM 282 CA VAL A 18 14.201 -11.817 2.175 1.00 0.00 C ATOM 283 C VAL A 18 13.904 -10.447 2.799 1.00 0.00 C ATOM 284 O VAL A 18 12.959 -10.286 3.551 1.00 0.00 O ATOM 285 CB VAL A 18 13.438 -11.989 0.854 1.00 0.00 C ATOM 286 CG1 VAL A 18 13.752 -10.822 -0.087 1.00 0.00 C ATOM 287 CG2 VAL A 18 13.861 -13.301 0.187 1.00 0.00 C ATOM 0 H VAL A 18 12.790 -13.295 2.801 1.00 0.00 H new ATOM 0 HA VAL A 18 15.280 -11.870 2.027 1.00 0.00 H new ATOM 0 HB VAL A 18 12.368 -12.008 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.207 -10.952 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.451 -9.885 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.822 -10.797 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.319 -13.423 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.932 -13.279 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.633 -14.136 0.849 1.00 0.00 H new ATOM 297 N ARG A 19 14.704 -9.459 2.483 1.00 0.00 N ATOM 298 CA ARG A 19 14.478 -8.091 3.044 1.00 0.00 C ATOM 299 C ARG A 19 13.190 -7.488 2.460 1.00 0.00 C ATOM 300 O ARG A 19 12.995 -7.501 1.258 1.00 0.00 O ATOM 301 CB ARG A 19 15.700 -7.274 2.610 1.00 0.00 C ATOM 302 CG ARG A 19 15.646 -5.882 3.248 1.00 0.00 C ATOM 303 CD ARG A 19 16.282 -4.856 2.303 1.00 0.00 C ATOM 304 NE ARG A 19 15.227 -4.548 1.294 1.00 0.00 N ATOM 305 CZ ARG A 19 15.449 -4.767 0.024 1.00 0.00 C ATOM 306 NH1 ARG A 19 16.344 -4.059 -0.617 1.00 0.00 N ATOM 307 NH2 ARG A 19 14.773 -5.694 -0.604 1.00 0.00 N ATOM 0 H ARG A 19 15.506 -9.541 1.859 1.00 0.00 H new ATOM 0 HA ARG A 19 14.363 -8.102 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.615 -7.785 2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.723 -7.186 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.612 -5.607 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.173 -5.888 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.585 -3.959 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.176 -5.259 1.828 1.00 0.00 H new ATOM 0 HE ARG A 19 14.331 -4.166 1.595 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.869 -3.336 -0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.516 -4.231 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.075 -6.244 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.944 -5.867 -1.595 1.00 0.00 H new ATOM 321 N PRO A 20 12.354 -6.974 3.334 1.00 0.00 N ATOM 322 CA PRO A 20 11.073 -6.357 2.896 1.00 0.00 C ATOM 323 C PRO A 20 11.331 -5.023 2.178 1.00 0.00 C ATOM 324 O PRO A 20 12.462 -4.607 2.004 1.00 0.00 O ATOM 325 CB PRO A 20 10.316 -6.136 4.205 1.00 0.00 C ATOM 326 CG PRO A 20 11.377 -6.050 5.253 1.00 0.00 C ATOM 327 CD PRO A 20 12.517 -6.918 4.794 1.00 0.00 C ATOM 0 HA PRO A 20 10.521 -6.976 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.722 -5.223 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.627 -6.956 4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.706 -5.019 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.997 -6.390 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.481 -6.492 5.072 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.467 -7.911 5.240 1.00 0.00 H new ATOM 335 N LEU A 21 10.285 -4.356 1.761 1.00 0.00 N ATOM 336 CA LEU A 21 10.453 -3.050 1.051 1.00 0.00 C ATOM 337 C LEU A 21 9.626 -1.958 1.744 1.00 0.00 C ATOM 338 O LEU A 21 8.767 -2.255 2.554 1.00 0.00 O ATOM 339 CB LEU A 21 9.933 -3.301 -0.368 1.00 0.00 C ATOM 340 CG LEU A 21 10.906 -4.212 -1.125 1.00 0.00 C ATOM 341 CD1 LEU A 21 10.184 -4.859 -2.309 1.00 0.00 C ATOM 342 CD2 LEU A 21 12.088 -3.386 -1.640 1.00 0.00 C ATOM 0 H LEU A 21 9.319 -4.660 1.882 1.00 0.00 H new ATOM 0 HA LEU A 21 11.489 -2.710 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.946 -3.762 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.821 -2.354 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 21 11.271 -4.988 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.876 -5.507 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.344 -5.449 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.818 -4.082 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.779 -4.035 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.723 -2.608 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.604 -2.925 -0.798 1.00 0.00 H new ATOM 354 N PRO A 22 9.910 -0.721 1.401 1.00 0.00 N ATOM 355 CA PRO A 22 9.176 0.425 2.002 1.00 0.00 C ATOM 356 C PRO A 22 7.728 0.460 1.496 1.00 0.00 C ATOM 357 O PRO A 22 7.477 0.587 0.312 1.00 0.00 O ATOM 358 CB PRO A 22 9.960 1.646 1.520 1.00 0.00 C ATOM 359 CG PRO A 22 10.641 1.195 0.268 1.00 0.00 C ATOM 360 CD PRO A 22 10.923 -0.276 0.433 1.00 0.00 C ATOM 0 HA PRO A 22 9.111 0.372 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.298 2.490 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.683 1.972 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.008 1.372 -0.602 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.565 1.751 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.833 -0.809 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.933 -0.451 0.803 1.00 0.00 H new ATOM 368 N GLY A 23 6.776 0.341 2.389 1.00 0.00 N ATOM 369 CA GLY A 23 5.343 0.357 1.971 1.00 0.00 C ATOM 370 C GLY A 23 4.828 -1.079 1.869 1.00 0.00 C ATOM 371 O GLY A 23 4.443 -1.679 2.855 1.00 0.00 O ATOM 0 H GLY A 23 6.932 0.233 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.749 0.918 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.238 0.862 1.011 1.00 0.00 H new ATOM 375 N GLY A 24 4.820 -1.637 0.681 1.00 0.00 N ATOM 376 CA GLY A 24 4.334 -3.039 0.509 1.00 0.00 C ATOM 377 C GLY A 24 2.801 -3.064 0.531 1.00 0.00 C ATOM 378 O GLY A 24 2.205 -3.241 1.576 1.00 0.00 O ATOM 0 H GLY A 24 5.130 -1.179 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.700 -3.447 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.729 -3.671 1.305 1.00 0.00 H new ATOM 382 N PRO A 25 2.211 -2.884 -0.629 1.00 0.00 N ATOM 383 CA PRO A 25 0.728 -2.888 -0.740 1.00 0.00 C ATOM 384 C PRO A 25 0.183 -4.316 -0.594 1.00 0.00 C ATOM 385 O PRO A 25 0.640 -5.233 -1.251 1.00 0.00 O ATOM 386 CB PRO A 25 0.473 -2.345 -2.145 1.00 0.00 C ATOM 387 CG PRO A 25 1.718 -2.653 -2.914 1.00 0.00 C ATOM 388 CD PRO A 25 2.859 -2.664 -1.929 1.00 0.00 C ATOM 0 HA PRO A 25 0.237 -2.298 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.398 -2.819 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.278 -1.273 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.632 -3.618 -3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.886 -1.906 -3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.574 -3.455 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.409 -1.723 -1.946 1.00 0.00 H new ATOM 396 N ILE A 26 -0.786 -4.508 0.267 1.00 0.00 N ATOM 397 CA ILE A 26 -1.362 -5.873 0.466 1.00 0.00 C ATOM 398 C ILE A 26 -2.889 -5.834 0.325 1.00 0.00 C ATOM 399 O ILE A 26 -3.512 -4.799 0.478 1.00 0.00 O ATOM 400 CB ILE A 26 -0.947 -6.275 1.890 1.00 0.00 C ATOM 401 CG1 ILE A 26 0.561 -6.550 1.926 1.00 0.00 C ATOM 402 CG2 ILE A 26 -1.702 -7.535 2.329 1.00 0.00 C ATOM 403 CD1 ILE A 26 0.916 -7.693 0.968 1.00 0.00 C ATOM 0 H ILE A 26 -1.203 -3.776 0.842 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.003 -6.588 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.191 -5.459 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.109 -5.650 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.866 -6.808 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.398 -7.808 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.774 -7.341 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.471 -8.354 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.990 -7.877 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.383 -8.596 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.628 -7.419 -0.047 1.00 0.00 H new ATOM 415 N GLY A 27 -3.489 -6.960 0.033 1.00 0.00 N ATOM 416 CA GLY A 27 -4.973 -7.009 -0.125 1.00 0.00 C ATOM 417 C GLY A 27 -5.339 -6.735 -1.587 1.00 0.00 C ATOM 418 O GLY A 27 -5.629 -5.612 -1.950 1.00 0.00 O ATOM 0 H GLY A 27 -3.012 -7.851 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.350 -7.986 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.443 -6.270 0.524 1.00 0.00 H new ATOM 422 N PRO A 28 -5.308 -7.779 -2.384 1.00 0.00 N ATOM 423 CA PRO A 28 -5.636 -7.649 -3.828 1.00 0.00 C ATOM 424 C PRO A 28 -7.149 -7.467 -4.028 1.00 0.00 C ATOM 425 O PRO A 28 -7.888 -7.256 -3.083 1.00 0.00 O ATOM 426 CB PRO A 28 -5.158 -8.971 -4.423 1.00 0.00 C ATOM 427 CG PRO A 28 -5.186 -9.946 -3.287 1.00 0.00 C ATOM 428 CD PRO A 28 -4.970 -9.162 -2.018 1.00 0.00 C ATOM 0 HA PRO A 28 -5.169 -6.783 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.808 -9.295 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.154 -8.877 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.140 -10.472 -3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.409 -10.701 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.606 -9.527 -1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.940 -9.241 -1.672 1.00 0.00 H new ATOM 436 N TYR A 29 -7.612 -7.545 -5.252 1.00 0.00 N ATOM 437 CA TYR A 29 -9.073 -7.377 -5.516 1.00 0.00 C ATOM 438 C TYR A 29 -9.817 -8.683 -5.199 1.00 0.00 C ATOM 439 O TYR A 29 -10.358 -9.333 -6.075 1.00 0.00 O ATOM 440 CB TYR A 29 -9.174 -7.037 -7.006 1.00 0.00 C ATOM 441 CG TYR A 29 -10.370 -6.145 -7.241 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.623 -6.709 -7.510 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.222 -4.754 -7.196 1.00 0.00 C ATOM 444 CE1 TYR A 29 -12.728 -5.881 -7.733 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.327 -3.925 -7.419 1.00 0.00 C ATOM 446 CZ TYR A 29 -12.581 -4.487 -7.687 1.00 0.00 C ATOM 447 OH TYR A 29 -13.671 -3.670 -7.905 1.00 0.00 O ATOM 0 H TYR A 29 -7.040 -7.718 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.522 -6.600 -4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.264 -6.537 -7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.268 -7.951 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.736 -7.782 -7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.255 -4.320 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.695 -6.315 -7.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.213 -2.852 -7.384 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.417 -3.963 -7.341 1.00 0.00 H new ATOM 457 N ASN A 30 -9.840 -9.071 -3.949 1.00 0.00 N ATOM 458 CA ASN A 30 -10.539 -10.332 -3.563 1.00 0.00 C ATOM 459 C ASN A 30 -11.430 -10.099 -2.336 1.00 0.00 C ATOM 460 O ASN A 30 -11.501 -10.924 -1.444 1.00 0.00 O ATOM 461 CB ASN A 30 -9.415 -11.322 -3.239 1.00 0.00 C ATOM 462 CG ASN A 30 -8.934 -11.996 -4.527 1.00 0.00 C ATOM 463 OD1 ASN A 30 -9.423 -13.045 -4.896 1.00 0.00 O ATOM 464 ND2 ASN A 30 -7.991 -11.433 -5.233 1.00 0.00 N ATOM 0 H ASN A 30 -9.403 -8.566 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.192 -10.701 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.587 -10.802 -2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.771 -12.074 -2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.666 -11.874 -6.093 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.580 -10.552 -4.924 1.00 0.00 H new ATOM 471 N GLY A 31 -12.112 -8.981 -2.285 1.00 0.00 N ATOM 472 CA GLY A 31 -12.998 -8.697 -1.117 1.00 0.00 C ATOM 473 C GLY A 31 -13.634 -7.307 -1.247 1.00 0.00 C ATOM 474 O GLY A 31 -13.685 -6.556 -0.291 1.00 0.00 O ATOM 0 H GLY A 31 -12.093 -8.255 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.778 -9.455 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.421 -8.754 -0.194 1.00 0.00 H new ATOM 478 N CYS A 32 -14.126 -6.959 -2.416 1.00 0.00 N ATOM 479 CA CYS A 32 -14.770 -5.617 -2.602 1.00 0.00 C ATOM 480 C CYS A 32 -15.371 -5.503 -4.013 1.00 0.00 C ATOM 481 O CYS A 32 -14.763 -4.932 -4.901 1.00 0.00 O ATOM 482 CB CYS A 32 -13.650 -4.589 -2.415 1.00 0.00 C ATOM 483 SG CYS A 32 -14.342 -2.923 -2.554 1.00 0.00 S ATOM 0 H CYS A 32 -14.109 -7.547 -3.249 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.583 -5.459 -1.893 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -13.179 -4.720 -1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.875 -4.738 -3.167 1.00 0.00 H new ATOM 488 N PRO A 33 -16.552 -6.050 -4.170 1.00 0.00 N ATOM 489 CA PRO A 33 -17.251 -6.002 -5.485 1.00 0.00 C ATOM 490 C PRO A 33 -17.692 -4.568 -5.817 1.00 0.00 C ATOM 491 O PRO A 33 -18.075 -3.809 -4.945 1.00 0.00 O ATOM 492 CB PRO A 33 -18.460 -6.913 -5.277 1.00 0.00 C ATOM 493 CG PRO A 33 -18.697 -6.903 -3.801 1.00 0.00 C ATOM 494 CD PRO A 33 -17.345 -6.760 -3.156 1.00 0.00 C ATOM 0 HA PRO A 33 -16.620 -6.318 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.331 -6.545 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.262 -7.922 -5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.352 -6.079 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.186 -7.823 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.403 -6.196 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.911 -7.730 -2.915 1.00 0.00 H new ATOM 502 N VAL A 34 -17.641 -4.197 -7.078 1.00 0.00 N ATOM 503 CA VAL A 34 -18.061 -2.813 -7.484 1.00 0.00 C ATOM 504 C VAL A 34 -19.542 -2.576 -7.140 1.00 0.00 C ATOM 505 O VAL A 34 -19.948 -1.461 -6.872 1.00 0.00 O ATOM 506 CB VAL A 34 -17.833 -2.751 -9.003 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.655 -1.612 -9.615 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.349 -2.501 -9.286 1.00 0.00 C ATOM 0 H VAL A 34 -17.327 -4.793 -7.844 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.495 -2.043 -6.960 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.144 -3.698 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.485 -1.578 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.714 -1.782 -9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.352 -0.664 -9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.186 -2.457 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.047 -1.556 -8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.756 -3.312 -8.862 1.00 0.00 H new ATOM 518 N SER A 35 -20.345 -3.616 -7.140 1.00 0.00 N ATOM 519 CA SER A 35 -21.797 -3.454 -6.806 1.00 0.00 C ATOM 520 C SER A 35 -21.990 -3.116 -5.316 1.00 0.00 C ATOM 521 O SER A 35 -23.089 -2.809 -4.889 1.00 0.00 O ATOM 522 CB SER A 35 -22.435 -4.808 -7.133 1.00 0.00 C ATOM 523 OG SER A 35 -23.816 -4.622 -7.416 1.00 0.00 O ATOM 0 H SER A 35 -20.057 -4.570 -7.357 1.00 0.00 H new ATOM 0 HA SER A 35 -22.249 -2.637 -7.368 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.935 -5.261 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.313 -5.492 -6.293 1.00 0.00 H new ATOM 0 HG SER A 35 -24.226 -5.487 -7.627 1.00 0.00 H new ATOM 529 N CYS A 36 -20.937 -3.174 -4.523 1.00 0.00 N ATOM 530 CA CYS A 36 -21.046 -2.862 -3.059 1.00 0.00 C ATOM 531 C CYS A 36 -22.046 -3.798 -2.363 1.00 0.00 C ATOM 532 O CYS A 36 -22.607 -3.463 -1.336 1.00 0.00 O ATOM 533 CB CYS A 36 -21.512 -1.405 -2.978 1.00 0.00 C ATOM 534 SG CYS A 36 -20.167 -0.310 -3.496 1.00 0.00 S ATOM 0 H CYS A 36 -19.999 -3.427 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.092 -3.007 -2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.383 -1.255 -3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.818 -1.166 -1.959 1.00 0.00 H new ATOM 539 N ARG A 37 -22.262 -4.972 -2.905 1.00 0.00 N ATOM 540 CA ARG A 37 -23.210 -5.928 -2.272 1.00 0.00 C ATOM 541 C ARG A 37 -22.447 -7.143 -1.731 1.00 0.00 C ATOM 542 O ARG A 37 -21.349 -7.442 -2.162 1.00 0.00 O ATOM 543 CB ARG A 37 -24.167 -6.343 -3.390 1.00 0.00 C ATOM 544 CG ARG A 37 -25.349 -7.106 -2.791 1.00 0.00 C ATOM 545 CD ARG A 37 -26.593 -6.906 -3.664 1.00 0.00 C ATOM 546 NE ARG A 37 -27.595 -6.255 -2.770 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.148 -5.124 -3.122 1.00 0.00 C ATOM 548 NH1 ARG A 37 -27.474 -4.007 -3.010 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.370 -5.110 -3.585 1.00 0.00 N ATOM 0 H ARG A 37 -21.819 -5.306 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 37 -23.743 -5.487 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.522 -5.462 -3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -23.647 -6.968 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.110 -8.167 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.544 -6.755 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.371 -6.281 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -26.964 -7.857 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.848 -6.693 -1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -26.520 -4.021 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -27.903 -3.123 -3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -29.893 -5.982 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.801 -4.227 -3.860 1.00 0.00 H new ATOM 563 N GLY A 38 -23.027 -7.842 -0.787 1.00 0.00 N ATOM 564 CA GLY A 38 -22.351 -9.041 -0.205 1.00 0.00 C ATOM 565 C GLY A 38 -21.221 -8.613 0.745 1.00 0.00 C ATOM 566 O GLY A 38 -20.313 -9.377 1.013 1.00 0.00 O ATOM 0 H GLY A 38 -23.944 -7.632 -0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.077 -9.649 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.947 -9.662 -1.004 1.00 0.00 H new ATOM 570 N ILE A 39 -21.269 -7.406 1.263 1.00 0.00 N ATOM 571 CA ILE A 39 -20.197 -6.943 2.198 1.00 0.00 C ATOM 572 C ILE A 39 -20.816 -6.231 3.404 1.00 0.00 C ATOM 573 O ILE A 39 -21.896 -5.674 3.325 1.00 0.00 O ATOM 574 CB ILE A 39 -19.318 -5.971 1.394 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.122 -4.711 1.038 1.00 0.00 C ATOM 576 CG2 ILE A 39 -18.829 -6.654 0.112 1.00 0.00 C ATOM 577 CD1 ILE A 39 -19.292 -3.799 0.126 1.00 0.00 C ATOM 0 H ILE A 39 -22.004 -6.724 1.077 1.00 0.00 H new ATOM 0 HA ILE A 39 -19.613 -7.780 2.581 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.457 -5.685 1.999 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.050 -4.991 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.397 -4.176 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -18.207 -5.961 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.246 -7.538 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -19.686 -6.949 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.870 -2.908 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -18.376 -3.506 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.039 -4.333 -0.790 1.00 0.00 H new ATOM 589 N SER A 40 -20.131 -6.241 4.514 1.00 0.00 N ATOM 590 CA SER A 40 -20.660 -5.558 5.730 1.00 0.00 C ATOM 591 C SER A 40 -20.393 -4.055 5.642 1.00 0.00 C ATOM 592 O SER A 40 -19.653 -3.593 4.792 1.00 0.00 O ATOM 593 CB SER A 40 -19.897 -6.172 6.905 1.00 0.00 C ATOM 594 OG SER A 40 -20.262 -5.510 8.110 1.00 0.00 O ATOM 0 H SER A 40 -19.225 -6.694 4.632 1.00 0.00 H new ATOM 0 HA SER A 40 -21.737 -5.688 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.121 -7.236 6.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.823 -6.083 6.740 1.00 0.00 H new ATOM 0 HG SER A 40 -19.773 -5.906 8.862 1.00 0.00 H new ATOM 600 N PHE A 41 -20.983 -3.292 6.523 1.00 0.00 N ATOM 601 CA PHE A 41 -20.762 -1.812 6.507 1.00 0.00 C ATOM 602 C PHE A 41 -19.271 -1.515 6.713 1.00 0.00 C ATOM 603 O PHE A 41 -18.675 -0.757 5.972 1.00 0.00 O ATOM 604 CB PHE A 41 -21.595 -1.267 7.674 1.00 0.00 C ATOM 605 CG PHE A 41 -21.571 0.244 7.659 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.380 0.953 6.761 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.739 0.938 8.546 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.355 2.352 6.752 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.714 2.337 8.537 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.523 3.044 7.640 1.00 0.00 C ATOM 0 H PHE A 41 -21.609 -3.628 7.255 1.00 0.00 H new ATOM 0 HA PHE A 41 -21.055 -1.353 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.622 -1.624 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -21.198 -1.637 8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -23.023 0.420 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.115 0.392 9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.978 2.898 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -20.071 2.871 9.221 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.505 4.124 7.633 1.00 0.00 H new ATOM 620 N SER A 42 -18.668 -2.122 7.707 1.00 0.00 N ATOM 621 CA SER A 42 -17.211 -1.892 7.963 1.00 0.00 C ATOM 622 C SER A 42 -16.383 -2.354 6.759 1.00 0.00 C ATOM 623 O SER A 42 -15.392 -1.744 6.405 1.00 0.00 O ATOM 624 CB SER A 42 -16.880 -2.741 9.193 1.00 0.00 C ATOM 625 OG SER A 42 -15.625 -2.335 9.725 1.00 0.00 O ATOM 0 H SER A 42 -19.123 -2.768 8.353 1.00 0.00 H new ATOM 0 HA SER A 42 -16.985 -0.838 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.660 -2.629 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.848 -3.796 8.922 1.00 0.00 H new ATOM 0 HG SER A 42 -15.413 -2.877 10.513 1.00 0.00 H new ATOM 631 N GLN A 43 -16.793 -3.423 6.124 1.00 0.00 N ATOM 632 CA GLN A 43 -16.042 -3.926 4.934 1.00 0.00 C ATOM 633 C GLN A 43 -16.109 -2.896 3.802 1.00 0.00 C ATOM 634 O GLN A 43 -15.116 -2.595 3.167 1.00 0.00 O ATOM 635 CB GLN A 43 -16.767 -5.212 4.529 1.00 0.00 C ATOM 636 CG GLN A 43 -15.765 -6.362 4.417 1.00 0.00 C ATOM 637 CD GLN A 43 -16.401 -7.650 4.949 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.605 -7.819 4.896 1.00 0.00 O ATOM 639 NE2 GLN A 43 -15.638 -8.577 5.463 1.00 0.00 N ATOM 0 H GLN A 43 -17.616 -3.969 6.379 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.988 -4.101 5.148 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.532 -5.456 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.276 -5.068 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.463 -6.495 3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.863 -6.129 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -14.628 -8.439 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.052 -9.439 5.818 1.00 0.00 H new ATOM 648 N ALA A 44 -17.276 -2.352 3.558 1.00 0.00 N ATOM 649 CA ALA A 44 -17.428 -1.334 2.474 1.00 0.00 C ATOM 650 C ALA A 44 -16.659 -0.055 2.830 1.00 0.00 C ATOM 651 O ALA A 44 -16.115 0.612 1.969 1.00 0.00 O ATOM 652 CB ALA A 44 -18.934 -1.064 2.395 1.00 0.00 C ATOM 0 H ALA A 44 -18.133 -2.571 4.066 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.028 -1.680 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.131 -0.324 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.457 -1.989 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.287 -0.686 3.355 1.00 0.00 H new ATOM 658 N ARG A 45 -16.601 0.283 4.098 1.00 0.00 N ATOM 659 CA ARG A 45 -15.858 1.508 4.522 1.00 0.00 C ATOM 660 C ARG A 45 -14.349 1.304 4.328 1.00 0.00 C ATOM 661 O ARG A 45 -13.640 2.203 3.912 1.00 0.00 O ATOM 662 CB ARG A 45 -16.185 1.684 6.009 1.00 0.00 C ATOM 663 CG ARG A 45 -17.073 2.915 6.201 1.00 0.00 C ATOM 664 CD ARG A 45 -18.476 2.634 5.646 1.00 0.00 C ATOM 665 NE ARG A 45 -18.854 3.864 4.888 1.00 0.00 N ATOM 666 CZ ARG A 45 -20.113 4.185 4.750 1.00 0.00 C ATOM 667 NH1 ARG A 45 -20.906 3.422 4.044 1.00 0.00 N ATOM 668 NH2 ARG A 45 -20.578 5.272 5.314 1.00 0.00 N ATOM 0 H ARG A 45 -17.038 -0.240 4.857 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.142 2.383 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.692 0.796 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.265 1.795 6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -17.134 3.169 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.635 3.774 5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.474 1.758 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -19.184 2.434 6.450 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.129 4.453 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -20.541 2.578 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -21.889 3.671 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.957 5.868 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -21.561 5.522 5.206 1.00 0.00 H new ATOM 682 N SER A 46 -13.860 0.125 4.629 1.00 0.00 N ATOM 683 CA SER A 46 -12.400 -0.156 4.472 1.00 0.00 C ATOM 684 C SER A 46 -11.984 -0.090 2.996 1.00 0.00 C ATOM 685 O SER A 46 -10.929 0.416 2.668 1.00 0.00 O ATOM 686 CB SER A 46 -12.203 -1.573 5.019 1.00 0.00 C ATOM 687 OG SER A 46 -10.842 -1.750 5.395 1.00 0.00 O ATOM 0 H SER A 46 -14.413 -0.658 4.978 1.00 0.00 H new ATOM 0 HA SER A 46 -11.790 0.578 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.853 -1.737 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.482 -2.308 4.264 1.00 0.00 H new ATOM 0 HG SER A 46 -10.746 -2.590 5.890 1.00 0.00 H new ATOM 693 N CYS A 47 -12.800 -0.606 2.104 1.00 0.00 N ATOM 694 CA CYS A 47 -12.437 -0.579 0.653 1.00 0.00 C ATOM 695 C CYS A 47 -12.530 0.840 0.078 1.00 0.00 C ATOM 696 O CYS A 47 -11.789 1.194 -0.818 1.00 0.00 O ATOM 697 CB CYS A 47 -13.442 -1.495 -0.044 1.00 0.00 C ATOM 698 SG CYS A 47 -12.917 -1.738 -1.759 1.00 0.00 S ATOM 0 H CYS A 47 -13.697 -1.042 2.319 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.409 -0.908 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.501 -2.453 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.439 -1.055 -0.013 1.00 0.00 H new ATOM 703 N CYS A 48 -13.431 1.652 0.572 1.00 0.00 N ATOM 704 CA CYS A 48 -13.555 3.045 0.032 1.00 0.00 C ATOM 705 C CYS A 48 -12.230 3.799 0.192 1.00 0.00 C ATOM 706 O CYS A 48 -11.791 4.495 -0.702 1.00 0.00 O ATOM 707 CB CYS A 48 -14.646 3.710 0.869 1.00 0.00 C ATOM 708 SG CYS A 48 -14.755 5.468 0.444 1.00 0.00 S ATOM 0 H CYS A 48 -14.083 1.415 1.320 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.799 3.047 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.604 3.222 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.424 3.595 1.930 1.00 0.00 H new ATOM 713 N SER A 49 -11.592 3.664 1.324 1.00 0.00 N ATOM 714 CA SER A 49 -10.295 4.373 1.543 1.00 0.00 C ATOM 715 C SER A 49 -9.125 3.567 0.961 1.00 0.00 C ATOM 716 O SER A 49 -8.099 4.121 0.615 1.00 0.00 O ATOM 717 CB SER A 49 -10.160 4.496 3.062 1.00 0.00 C ATOM 718 OG SER A 49 -8.996 5.250 3.372 1.00 0.00 O ATOM 0 H SER A 49 -11.912 3.094 2.107 1.00 0.00 H new ATOM 0 HA SER A 49 -10.276 5.345 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.043 4.981 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.097 3.506 3.514 1.00 0.00 H new ATOM 0 HG SER A 49 -8.908 5.331 4.345 1.00 0.00 H new ATOM 724 N ARG A 50 -9.265 2.270 0.858 1.00 0.00 N ATOM 725 CA ARG A 50 -8.151 1.432 0.310 1.00 0.00 C ATOM 726 C ARG A 50 -8.178 1.396 -1.227 1.00 0.00 C ATOM 727 O ARG A 50 -7.146 1.281 -1.858 1.00 0.00 O ATOM 728 CB ARG A 50 -8.389 0.029 0.877 1.00 0.00 C ATOM 729 CG ARG A 50 -7.045 -0.642 1.175 1.00 0.00 C ATOM 730 CD ARG A 50 -7.247 -2.154 1.329 1.00 0.00 C ATOM 731 NE ARG A 50 -7.072 -2.427 2.786 1.00 0.00 N ATOM 732 CZ ARG A 50 -8.107 -2.408 3.586 1.00 0.00 C ATOM 733 NH1 ARG A 50 -8.577 -1.268 4.018 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.674 -3.528 3.948 1.00 0.00 N ATOM 0 H ARG A 50 -10.102 1.753 1.129 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.178 1.835 0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.985 0.090 1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.956 -0.570 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.340 -0.440 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.615 -0.228 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.238 -2.455 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.522 -2.710 0.734 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.144 -2.629 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.137 -0.394 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.384 -1.253 4.642 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.310 -4.418 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.481 -3.513 4.572 1.00 0.00 H new ATOM 748 N LEU A 51 -9.341 1.469 -1.832 1.00 0.00 N ATOM 749 CA LEU A 51 -9.411 1.409 -3.329 1.00 0.00 C ATOM 750 C LEU A 51 -10.424 2.409 -3.913 1.00 0.00 C ATOM 751 O LEU A 51 -10.685 2.397 -5.101 1.00 0.00 O ATOM 752 CB LEU A 51 -9.859 -0.024 -3.631 1.00 0.00 C ATOM 753 CG LEU A 51 -8.635 -0.914 -3.856 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.943 -2.335 -3.380 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.288 -0.942 -5.348 1.00 0.00 C ATOM 0 H LEU A 51 -10.239 1.567 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.452 1.670 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.454 -0.411 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.497 -0.037 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.790 -0.516 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.071 -2.969 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.189 -2.318 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.789 -2.732 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.416 -1.576 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.133 -1.339 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.068 0.069 -5.689 1.00 0.00 H new ATOM 767 N GLY A 52 -11.001 3.269 -3.107 1.00 0.00 N ATOM 768 CA GLY A 52 -11.995 4.249 -3.647 1.00 0.00 C ATOM 769 C GLY A 52 -13.253 3.508 -4.127 1.00 0.00 C ATOM 770 O GLY A 52 -13.939 3.959 -5.025 1.00 0.00 O ATOM 0 H GLY A 52 -10.827 3.334 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.261 4.973 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.555 4.809 -4.472 1.00 0.00 H new ATOM 774 N ARG A 53 -13.559 2.373 -3.541 1.00 0.00 N ATOM 775 CA ARG A 53 -14.768 1.604 -3.966 1.00 0.00 C ATOM 776 C ARG A 53 -15.791 1.533 -2.827 1.00 0.00 C ATOM 777 O ARG A 53 -15.440 1.368 -1.674 1.00 0.00 O ATOM 778 CB ARG A 53 -14.258 0.202 -4.308 1.00 0.00 C ATOM 779 CG ARG A 53 -13.862 0.137 -5.788 1.00 0.00 C ATOM 780 CD ARG A 53 -15.115 -0.047 -6.653 1.00 0.00 C ATOM 781 NE ARG A 53 -14.772 0.566 -7.969 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.097 1.807 -8.218 1.00 0.00 C ATOM 783 NH1 ARG A 53 -14.291 2.774 -7.866 1.00 0.00 N ATOM 784 NH2 ARG A 53 -16.227 2.078 -8.818 1.00 0.00 N ATOM 0 H ARG A 53 -13.021 1.948 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.268 2.075 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.401 -0.045 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.031 -0.537 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.342 1.051 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.170 -0.689 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.367 -1.102 -6.763 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.979 0.442 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.283 0.016 -8.675 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.411 2.559 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.543 3.743 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.854 1.321 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.482 3.046 -9.013 1.00 0.00 H new ATOM 798 N CYS A 54 -17.051 1.666 -3.159 1.00 0.00 N ATOM 799 CA CYS A 54 -18.144 1.622 -2.134 1.00 0.00 C ATOM 800 C CYS A 54 -17.968 2.780 -1.154 1.00 0.00 C ATOM 801 O CYS A 54 -17.837 2.597 0.042 1.00 0.00 O ATOM 802 CB CYS A 54 -18.020 0.262 -1.432 1.00 0.00 C ATOM 803 SG CYS A 54 -18.529 -1.051 -2.571 1.00 0.00 S ATOM 0 H CYS A 54 -17.376 1.806 -4.116 1.00 0.00 H new ATOM 0 HA CYS A 54 -19.134 1.727 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.992 0.100 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.642 0.244 -0.537 1.00 0.00 H new ATOM 808 N CYS A 55 -17.948 3.975 -1.676 1.00 0.00 N ATOM 809 CA CYS A 55 -17.760 5.180 -0.823 1.00 0.00 C ATOM 810 C CYS A 55 -19.097 5.886 -0.530 1.00 0.00 C ATOM 811 O CYS A 55 -19.144 6.821 0.245 1.00 0.00 O ATOM 812 CB CYS A 55 -16.844 6.078 -1.656 1.00 0.00 C ATOM 813 SG CYS A 55 -15.140 5.480 -1.539 1.00 0.00 S ATOM 0 H CYS A 55 -18.056 4.169 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.344 4.932 0.153 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.169 6.081 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.905 7.107 -1.300 1.00 0.00 H new ATOM 818 N HIS A 56 -20.180 5.453 -1.134 1.00 0.00 N ATOM 819 CA HIS A 56 -21.497 6.110 -0.875 1.00 0.00 C ATOM 820 C HIS A 56 -22.554 5.064 -0.490 1.00 0.00 C ATOM 821 O HIS A 56 -23.662 5.074 -0.991 1.00 0.00 O ATOM 822 CB HIS A 56 -21.857 6.800 -2.197 1.00 0.00 C ATOM 823 CG HIS A 56 -22.824 7.926 -1.939 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.832 8.252 -2.832 1.00 0.00 N ATOM 825 CD2 HIS A 56 -22.949 8.809 -0.893 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.512 9.292 -2.313 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.014 9.670 -1.133 1.00 0.00 N ATOM 0 H HIS A 56 -20.206 4.675 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.453 6.818 -0.047 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -20.956 7.185 -2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.299 6.079 -2.885 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.024 7.789 -3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -22.316 8.831 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.357 9.763 -2.793 1.00 0.00 H new ATOM 835 N VAL A 57 -22.218 4.162 0.401 1.00 0.00 N ATOM 836 CA VAL A 57 -23.203 3.117 0.821 1.00 0.00 C ATOM 837 C VAL A 57 -23.973 3.587 2.063 1.00 0.00 C ATOM 838 O VAL A 57 -23.404 3.774 3.124 1.00 0.00 O ATOM 839 CB VAL A 57 -22.364 1.872 1.139 1.00 0.00 C ATOM 840 CG1 VAL A 57 -23.272 0.753 1.660 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.655 1.394 -0.129 1.00 0.00 C ATOM 0 H VAL A 57 -21.306 4.105 0.854 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.943 2.914 0.047 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.626 2.125 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.671 -0.128 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.778 1.087 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -24.014 0.503 0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -21.060 0.510 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -22.396 1.147 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -21.003 2.184 -0.501 1.00 0.00 H new ATOM 851 N GLY A 58 -25.264 3.775 1.939 1.00 0.00 N ATOM 852 CA GLY A 58 -26.077 4.230 3.106 1.00 0.00 C ATOM 853 C GLY A 58 -26.130 5.761 3.135 1.00 0.00 C ATOM 854 O GLY A 58 -25.116 6.421 3.267 1.00 0.00 O ATOM 0 H GLY A 58 -25.790 3.632 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -27.086 3.823 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.643 3.854 4.032 1.00 0.00 H new ATOM 858 N LYS A 59 -27.304 6.329 3.015 1.00 0.00 N ATOM 859 CA LYS A 59 -27.428 7.817 3.035 1.00 0.00 C ATOM 860 C LYS A 59 -28.524 8.247 4.015 1.00 0.00 C ATOM 861 O LYS A 59 -29.687 7.935 3.834 1.00 0.00 O ATOM 862 CB LYS A 59 -27.800 8.208 1.601 1.00 0.00 C ATOM 863 CG LYS A 59 -26.564 8.743 0.873 1.00 0.00 C ATOM 864 CD LYS A 59 -26.681 10.262 0.708 1.00 0.00 C ATOM 865 CE LYS A 59 -25.652 10.961 1.606 1.00 0.00 C ATOM 866 NZ LYS A 59 -26.440 11.529 2.740 1.00 0.00 N ATOM 0 H LYS A 59 -28.183 5.824 2.904 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.507 8.301 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -28.200 7.344 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -28.583 8.966 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -25.663 8.497 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.470 8.267 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -26.516 10.538 -0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -27.687 10.589 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.900 10.258 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.124 11.745 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.800 12.022 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -27.143 12.201 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -26.926 10.760 3.244 1.00 0.00 H new ATOM 880 N GLY A 60 -28.161 8.962 5.052 1.00 0.00 N ATOM 881 CA GLY A 60 -29.178 9.415 6.047 1.00 0.00 C ATOM 882 C GLY A 60 -29.322 8.368 7.157 1.00 0.00 C ATOM 883 O GLY A 60 -28.639 7.360 7.168 1.00 0.00 O ATOM 0 H GLY A 60 -27.203 9.251 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -28.880 10.373 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -30.138 9.570 5.554 1.00 0.00 H new ATOM 887 N TYR A 61 -30.210 8.601 8.092 1.00 0.00 N ATOM 888 CA TYR A 61 -30.407 7.626 9.206 1.00 0.00 C ATOM 889 C TYR A 61 -31.225 6.422 8.726 1.00 0.00 C ATOM 890 O TYR A 61 -31.870 6.465 7.694 1.00 0.00 O ATOM 891 CB TYR A 61 -31.171 8.395 10.289 1.00 0.00 C ATOM 892 CG TYR A 61 -30.782 7.871 11.651 1.00 0.00 C ATOM 893 CD1 TYR A 61 -29.627 8.348 12.282 1.00 0.00 C ATOM 894 CD2 TYR A 61 -31.577 6.906 12.283 1.00 0.00 C ATOM 895 CE1 TYR A 61 -29.266 7.861 13.543 1.00 0.00 C ATOM 896 CE2 TYR A 61 -31.215 6.419 13.544 1.00 0.00 C ATOM 897 CZ TYR A 61 -30.059 6.896 14.173 1.00 0.00 C ATOM 898 OH TYR A 61 -29.702 6.412 15.414 1.00 0.00 O ATOM 0 H TYR A 61 -30.808 9.427 8.131 1.00 0.00 H new ATOM 0 HA TYR A 61 -29.459 7.237 9.577 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -30.947 9.460 10.220 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -32.245 8.285 10.139 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -29.014 9.092 11.795 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -32.469 6.538 11.797 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -28.375 8.230 14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -31.827 5.675 14.032 1.00 0.00 H new ATOM 0 HH TYR A 61 -30.361 5.749 15.709 1.00 0.00 H new ATOM 908 N SER A 62 -31.199 5.348 9.471 1.00 0.00 N ATOM 909 CA SER A 62 -31.970 4.130 9.075 1.00 0.00 C ATOM 910 C SER A 62 -33.462 4.321 9.371 1.00 0.00 C ATOM 911 O SER A 62 -33.850 5.202 10.117 1.00 0.00 O ATOM 912 CB SER A 62 -31.399 2.995 9.928 1.00 0.00 C ATOM 913 OG SER A 62 -29.989 2.937 9.756 1.00 0.00 O ATOM 0 H SER A 62 -30.674 5.261 10.341 1.00 0.00 H new ATOM 0 HA SER A 62 -31.881 3.922 8.009 1.00 0.00 H new ATOM 0 HB2 SER A 62 -31.642 3.157 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.851 2.046 9.639 1.00 0.00 H new ATOM 0 HG SER A 62 -29.622 2.211 10.303 1.00 0.00 H new ATOM 919 N GLY A 63 -34.297 3.499 8.790 1.00 0.00 N ATOM 920 CA GLY A 63 -35.765 3.618 9.028 1.00 0.00 C ATOM 921 C GLY A 63 -36.178 2.675 10.160 1.00 0.00 C ATOM 922 O GLY A 63 -36.272 3.136 11.284 1.00 0.00 O ATOM 923 OXT GLY A 63 -36.392 1.505 9.881 1.00 0.00 O ATOM 0 H GLY A 63 -34.023 2.747 8.158 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -36.020 4.646 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -36.313 3.372 8.118 1.00 0.00 H new TER 927 GLY A 63