USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 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 NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -18.6! C(o=-32!,f=-34!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -13.7! (180deg=-8.91!) USER MOD Set 2.1: A 75 SER OG : rot -83:sc= -0.608! USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -5.37! (180deg=-5.37!) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -5.57! C(o=-5.8!,f=-15!) USER MOD Set 3.2: A 34 TYR OH : rot 15:sc= -0.24 USER MOD Set 4.1: A 25 THR OG1 : rot -69:sc= 1.99 USER MOD Set 4.2: A 37 THR OG1 : rot 47:sc= -0.511 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -0.634 K(o=-2.6,f=-8.3!) USER MOD Set 5.2: A 24 SER OG : rot 170:sc= -1.99 USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.00616) USER MOD Single : A 4 SER OG : rot 72:sc= 0.0182 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 17 GLN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -14.1! C(o=-14!,f=-11!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.154 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -35:sc= 0.562 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -13:sc= 1.41 USER MOD Single : A 61 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.021) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -14.4! C(o=-14!,f=-13!) USER MOD Single : A 89 SER OG : rot -37:sc= 0.274 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 104 SER OG : rot -30:sc= 0.429 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.22 (180deg=-2.22) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 30.730 3.793 -36.122 1.00 0.00 N ATOM 2 CA ALA A 1 31.748 3.381 -35.171 1.00 0.00 C ATOM 3 C ALA A 1 31.127 3.272 -33.777 1.00 0.00 C ATOM 4 O ALA A 1 31.621 3.874 -32.825 1.00 0.00 O ATOM 5 CB ALA A 1 32.915 4.370 -35.214 1.00 0.00 C ATOM 0 H1 ALA A 1 31.161 3.917 -37.060 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.989 3.065 -36.175 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.310 4.693 -35.813 1.00 0.00 H new ATOM 0 HA ALA A 1 32.142 2.399 -35.432 1.00 0.00 H new ATOM 0 HB1 ALA A 1 33.680 4.062 -34.501 1.00 0.00 H new ATOM 0 HB2 ALA A 1 33.341 4.387 -36.217 1.00 0.00 H new ATOM 0 HB3 ALA A 1 32.557 5.366 -34.955 1.00 0.00 H new ATOM 11 N GLU A 2 30.052 2.501 -33.702 1.00 0.00 N ATOM 12 CA GLU A 2 29.357 2.307 -32.442 1.00 0.00 C ATOM 13 C GLU A 2 28.071 1.507 -32.662 1.00 0.00 C ATOM 14 O GLU A 2 27.709 1.210 -33.799 1.00 0.00 O ATOM 15 CB GLU A 2 29.060 3.647 -31.767 1.00 0.00 C ATOM 16 CG GLU A 2 29.792 3.762 -30.427 1.00 0.00 C ATOM 17 CD GLU A 2 28.888 4.379 -29.359 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.508 5.554 -29.547 1.00 0.00 O ATOM 19 OE2 GLU A 2 28.597 3.659 -28.378 1.00 0.00 O ATOM 0 H GLU A 2 29.646 2.003 -34.494 1.00 0.00 H new ATOM 0 HA GLU A 2 30.006 1.738 -31.776 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.364 4.463 -32.422 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.986 3.748 -31.609 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.122 2.775 -30.103 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.686 4.373 -30.549 1.00 0.00 H new ATOM 26 N GLU A 3 27.417 1.183 -31.556 1.00 0.00 N ATOM 27 CA GLU A 3 26.180 0.423 -31.613 1.00 0.00 C ATOM 28 C GLU A 3 25.603 0.242 -30.208 1.00 0.00 C ATOM 29 O GLU A 3 26.348 0.070 -29.245 1.00 0.00 O ATOM 30 CB GLU A 3 26.397 -0.929 -32.297 1.00 0.00 C ATOM 31 CG GLU A 3 25.597 -1.022 -33.596 1.00 0.00 C ATOM 32 CD GLU A 3 26.313 -1.906 -34.619 1.00 0.00 C ATOM 33 OE1 GLU A 3 26.688 -3.034 -34.232 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.469 -1.434 -35.766 1.00 0.00 O ATOM 0 H GLU A 3 27.721 1.433 -30.615 1.00 0.00 H new ATOM 0 HA GLU A 3 25.460 0.982 -32.210 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.457 -1.067 -32.508 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.099 -1.733 -31.624 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.607 -1.428 -33.389 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.452 -0.024 -34.010 1.00 0.00 H new ATOM 41 N SER A 4 24.280 0.284 -30.136 1.00 0.00 N ATOM 42 CA SER A 4 23.596 0.127 -28.864 1.00 0.00 C ATOM 43 C SER A 4 22.123 0.520 -29.012 1.00 0.00 C ATOM 44 O SER A 4 21.812 1.654 -29.369 1.00 0.00 O ATOM 45 CB SER A 4 24.262 0.965 -27.772 1.00 0.00 C ATOM 46 OG SER A 4 24.808 0.154 -26.736 1.00 0.00 O ATOM 0 H SER A 4 23.665 0.424 -30.937 1.00 0.00 H new ATOM 0 HA SER A 4 23.659 -0.920 -28.568 1.00 0.00 H new ATOM 0 HB2 SER A 4 25.053 1.572 -28.212 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.531 1.653 -27.347 1.00 0.00 H new ATOM 0 HG SER A 4 25.607 -0.306 -27.068 1.00 0.00 H new ATOM 52 N SER A 5 21.257 -0.443 -28.728 1.00 0.00 N ATOM 53 CA SER A 5 19.826 -0.211 -28.825 1.00 0.00 C ATOM 54 C SER A 5 19.064 -1.446 -28.338 1.00 0.00 C ATOM 55 O SER A 5 19.457 -2.576 -28.623 1.00 0.00 O ATOM 56 CB SER A 5 19.418 0.133 -30.258 1.00 0.00 C ATOM 57 OG SER A 5 19.674 -0.942 -31.159 1.00 0.00 O ATOM 0 H SER A 5 21.519 -1.383 -28.431 1.00 0.00 H new ATOM 0 HA SER A 5 19.573 0.639 -28.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.357 0.382 -30.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.961 1.019 -30.587 1.00 0.00 H new ATOM 0 HG SER A 5 19.398 -0.684 -32.063 1.00 0.00 H new ATOM 63 N LYS A 6 17.985 -1.189 -27.612 1.00 0.00 N ATOM 64 CA LYS A 6 17.164 -2.263 -27.083 1.00 0.00 C ATOM 65 C LYS A 6 15.857 -1.681 -26.539 1.00 0.00 C ATOM 66 O LYS A 6 15.706 -0.465 -26.449 1.00 0.00 O ATOM 67 CB LYS A 6 17.948 -3.081 -26.055 1.00 0.00 C ATOM 68 CG LYS A 6 17.558 -4.558 -26.116 1.00 0.00 C ATOM 69 CD LYS A 6 18.776 -5.457 -25.894 1.00 0.00 C ATOM 70 CE LYS A 6 18.830 -5.960 -24.451 1.00 0.00 C ATOM 71 NZ LYS A 6 19.367 -4.909 -23.555 1.00 0.00 N ATOM 0 H LYS A 6 17.661 -0.251 -27.378 1.00 0.00 H new ATOM 0 HA LYS A 6 16.896 -2.962 -27.875 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.017 -2.976 -26.240 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.758 -2.692 -25.055 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.803 -4.770 -25.359 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.110 -4.780 -27.085 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.736 -6.305 -26.577 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.687 -4.905 -26.125 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.832 -6.250 -24.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.456 -6.850 -24.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.397 -5.267 -22.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.328 -4.651 -23.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.754 -4.070 -23.597 1.00 0.00 H new ATOM 85 N ALA A 7 14.946 -2.578 -26.192 1.00 0.00 N ATOM 86 CA ALA A 7 13.658 -2.169 -25.660 1.00 0.00 C ATOM 87 C ALA A 7 13.368 -2.953 -24.378 1.00 0.00 C ATOM 88 O ALA A 7 13.757 -4.112 -24.254 1.00 0.00 O ATOM 89 CB ALA A 7 12.577 -2.374 -26.724 1.00 0.00 C ATOM 0 H ALA A 7 15.075 -3.587 -26.269 1.00 0.00 H new ATOM 0 HA ALA A 7 13.668 -1.109 -25.404 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.610 -2.067 -26.325 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.813 -1.774 -27.603 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.536 -3.427 -27.003 1.00 0.00 H new ATOM 95 N VAL A 8 12.690 -2.285 -23.456 1.00 0.00 N ATOM 96 CA VAL A 8 12.345 -2.904 -22.187 1.00 0.00 C ATOM 97 C VAL A 8 11.942 -4.361 -22.427 1.00 0.00 C ATOM 98 O VAL A 8 12.666 -5.279 -22.046 1.00 0.00 O ATOM 99 CB VAL A 8 11.254 -2.091 -21.487 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.389 -1.345 -22.505 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.397 -2.982 -20.587 1.00 0.00 C ATOM 0 H VAL A 8 12.371 -1.322 -23.562 1.00 0.00 H new ATOM 0 HA VAL A 8 13.207 -2.910 -21.520 1.00 0.00 H new ATOM 0 HB VAL A 8 11.743 -1.350 -20.855 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.621 -0.775 -21.982 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.014 -0.665 -23.085 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.915 -2.062 -23.175 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.630 -2.379 -20.102 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.922 -3.757 -21.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.027 -3.446 -19.828 1.00 0.00 H new ATOM 111 N LYS A 9 10.789 -4.526 -23.059 1.00 0.00 N ATOM 112 CA LYS A 9 10.282 -5.855 -23.355 1.00 0.00 C ATOM 113 C LYS A 9 9.741 -6.486 -22.071 1.00 0.00 C ATOM 114 O LYS A 9 8.567 -6.850 -22.001 1.00 0.00 O ATOM 115 CB LYS A 9 11.356 -6.695 -24.049 1.00 0.00 C ATOM 116 CG LYS A 9 10.837 -7.264 -25.371 1.00 0.00 C ATOM 117 CD LYS A 9 11.922 -8.072 -26.085 1.00 0.00 C ATOM 118 CE LYS A 9 11.546 -8.327 -27.545 1.00 0.00 C ATOM 119 NZ LYS A 9 12.627 -9.064 -28.237 1.00 0.00 N ATOM 0 H LYS A 9 10.192 -3.762 -23.374 1.00 0.00 H new ATOM 0 HA LYS A 9 9.451 -5.799 -24.058 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.239 -6.083 -24.234 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.665 -7.510 -23.394 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.971 -7.899 -25.183 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.502 -6.450 -26.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.870 -7.535 -26.038 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.069 -9.023 -25.572 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.619 -8.899 -27.594 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.363 -7.379 -28.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.356 -9.229 -29.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.503 -8.505 -28.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.783 -9.977 -27.764 1.00 0.00 H new ATOM 133 N TYR A 10 10.620 -6.599 -21.088 1.00 0.00 N ATOM 134 CA TYR A 10 10.246 -7.181 -19.810 1.00 0.00 C ATOM 135 C TYR A 10 10.810 -6.362 -18.648 1.00 0.00 C ATOM 136 O TYR A 10 11.993 -6.023 -18.639 1.00 0.00 O ATOM 137 CB TYR A 10 10.868 -8.578 -19.783 1.00 0.00 C ATOM 138 CG TYR A 10 11.921 -8.810 -20.870 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.151 -8.188 -20.781 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.642 -9.641 -21.935 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.142 -8.406 -21.802 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.635 -9.860 -22.956 1.00 0.00 C ATOM 143 CZ TYR A 10 13.835 -9.232 -22.839 1.00 0.00 C ATOM 144 OH TYR A 10 14.772 -9.438 -23.803 1.00 0.00 O ATOM 0 H TYR A 10 11.592 -6.297 -21.150 1.00 0.00 H new ATOM 0 HA TYR A 10 9.162 -7.205 -19.703 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.325 -8.743 -18.807 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.077 -9.319 -19.893 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.369 -7.539 -19.946 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.680 -10.127 -22.004 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.107 -7.925 -21.746 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.431 -10.508 -23.795 1.00 0.00 H new ATOM 0 HH TYR A 10 14.416 -10.050 -24.480 1.00 0.00 H new ATOM 154 N TYR A 11 9.938 -6.067 -17.695 1.00 0.00 N ATOM 155 CA TYR A 11 10.335 -5.294 -16.530 1.00 0.00 C ATOM 156 C TYR A 11 9.807 -5.931 -15.244 1.00 0.00 C ATOM 157 O TYR A 11 8.973 -6.833 -15.290 1.00 0.00 O ATOM 158 CB TYR A 11 9.697 -3.914 -16.701 1.00 0.00 C ATOM 159 CG TYR A 11 10.657 -2.845 -17.226 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.989 -2.876 -16.865 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.191 -1.849 -18.059 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.893 -1.871 -17.360 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.094 -0.842 -18.554 1.00 0.00 C ATOM 164 CZ TYR A 11 12.401 -0.903 -18.179 1.00 0.00 C ATOM 165 OH TYR A 11 13.254 0.049 -18.645 1.00 0.00 O ATOM 0 H TYR A 11 8.958 -6.349 -17.706 1.00 0.00 H new ATOM 0 HA TYR A 11 11.421 -5.245 -16.454 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.853 -3.998 -17.386 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.297 -3.588 -15.741 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.353 -3.655 -16.211 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.149 -1.824 -18.340 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.938 -1.885 -17.087 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.742 -0.057 -19.207 1.00 0.00 H new ATOM 0 HH TYR A 11 12.764 0.674 -19.219 1.00 0.00 H new ATOM 175 N THR A 12 10.316 -5.438 -14.124 1.00 0.00 N ATOM 176 CA THR A 12 9.907 -5.948 -12.827 1.00 0.00 C ATOM 177 C THR A 12 9.018 -4.928 -12.111 1.00 0.00 C ATOM 178 O THR A 12 9.144 -3.725 -12.330 1.00 0.00 O ATOM 179 CB THR A 12 11.168 -6.312 -12.042 1.00 0.00 C ATOM 180 OG1 THR A 12 11.804 -5.058 -11.804 1.00 0.00 O ATOM 181 CG2 THR A 12 12.180 -7.088 -12.887 1.00 0.00 C ATOM 0 H THR A 12 11.009 -4.690 -14.089 1.00 0.00 H new ATOM 0 HA THR A 12 9.300 -6.848 -12.929 1.00 0.00 H new ATOM 0 HB THR A 12 10.893 -6.904 -11.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.631 -5.201 -11.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.056 -7.321 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.726 -8.014 -13.240 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.480 -6.482 -13.742 1.00 0.00 H new ATOM 189 N LEU A 13 8.138 -5.448 -11.267 1.00 0.00 N ATOM 190 CA LEU A 13 7.227 -4.601 -10.517 1.00 0.00 C ATOM 191 C LEU A 13 8.005 -3.421 -9.929 1.00 0.00 C ATOM 192 O LEU A 13 7.510 -2.295 -9.910 1.00 0.00 O ATOM 193 CB LEU A 13 6.470 -5.419 -9.471 1.00 0.00 C ATOM 194 CG LEU A 13 4.981 -5.644 -9.745 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.346 -6.506 -8.652 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.249 -4.313 -9.922 1.00 0.00 C ATOM 0 H LEU A 13 8.037 -6.447 -11.086 1.00 0.00 H new ATOM 0 HA LEU A 13 6.464 -4.187 -11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.953 -6.392 -9.380 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.571 -4.921 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 13 4.886 -6.191 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.288 -6.650 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.845 -7.475 -8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.452 -6.008 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.193 -4.501 -10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.351 -3.718 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.680 -3.769 -10.763 1.00 0.00 H new ATOM 208 N GLU A 14 9.209 -3.720 -9.464 1.00 0.00 N ATOM 209 CA GLU A 14 10.059 -2.700 -8.876 1.00 0.00 C ATOM 210 C GLU A 14 10.449 -1.662 -9.932 1.00 0.00 C ATOM 211 O GLU A 14 10.205 -0.470 -9.755 1.00 0.00 O ATOM 212 CB GLU A 14 11.300 -3.323 -8.235 1.00 0.00 C ATOM 213 CG GLU A 14 11.387 -2.967 -6.750 1.00 0.00 C ATOM 214 CD GLU A 14 11.090 -4.187 -5.876 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.443 -5.301 -6.318 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.516 -3.979 -4.785 1.00 0.00 O ATOM 0 H GLU A 14 9.616 -4.655 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 14 9.498 -2.196 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.269 -4.406 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.195 -2.972 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.382 -2.585 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.679 -2.170 -6.521 1.00 0.00 H new ATOM 223 N GLU A 15 11.048 -2.154 -11.006 1.00 0.00 N ATOM 224 CA GLU A 15 11.475 -1.284 -12.090 1.00 0.00 C ATOM 225 C GLU A 15 10.359 -0.302 -12.452 1.00 0.00 C ATOM 226 O GLU A 15 10.625 0.859 -12.760 1.00 0.00 O ATOM 227 CB GLU A 15 11.904 -2.101 -13.311 1.00 0.00 C ATOM 228 CG GLU A 15 12.579 -1.210 -14.356 1.00 0.00 C ATOM 229 CD GLU A 15 13.986 -1.713 -14.680 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.195 -2.940 -14.548 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.822 -0.863 -15.052 1.00 0.00 O ATOM 0 H GLU A 15 11.248 -3.144 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 15 12.340 -0.713 -11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.590 -2.890 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.034 -2.589 -13.751 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.978 -1.190 -15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.631 -0.186 -13.986 1.00 0.00 H new ATOM 238 N ILE A 16 9.134 -0.803 -12.403 1.00 0.00 N ATOM 239 CA ILE A 16 7.977 0.016 -12.722 1.00 0.00 C ATOM 240 C ILE A 16 7.618 0.877 -11.509 1.00 0.00 C ATOM 241 O ILE A 16 7.171 2.014 -11.661 1.00 0.00 O ATOM 242 CB ILE A 16 6.823 -0.858 -13.219 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.325 -1.927 -14.192 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.713 -0.002 -13.832 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.749 -3.300 -13.839 1.00 0.00 C ATOM 0 H ILE A 16 8.917 -1.766 -12.147 1.00 0.00 H new ATOM 0 HA ILE A 16 8.206 0.698 -13.541 1.00 0.00 H new ATOM 0 HB ILE A 16 6.394 -1.378 -12.362 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.041 -1.660 -15.210 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.414 -1.967 -14.165 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.905 -0.647 -14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.330 0.689 -13.081 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.112 0.562 -14.675 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.120 -4.043 -14.545 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.055 -3.574 -12.829 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.661 -3.262 -13.891 1.00 0.00 H new ATOM 257 N GLN A 17 7.827 0.304 -10.334 1.00 0.00 N ATOM 258 CA GLN A 17 7.532 1.006 -9.096 1.00 0.00 C ATOM 259 C GLN A 17 8.413 2.250 -8.967 1.00 0.00 C ATOM 260 O GLN A 17 8.099 3.160 -8.202 1.00 0.00 O ATOM 261 CB GLN A 17 7.705 0.083 -7.888 1.00 0.00 C ATOM 262 CG GLN A 17 6.668 0.395 -6.807 1.00 0.00 C ATOM 263 CD GLN A 17 7.301 1.159 -5.643 1.00 0.00 C ATOM 264 OE1 GLN A 17 7.054 2.334 -5.429 1.00 0.00 O ATOM 265 NE2 GLN A 17 8.131 0.426 -4.902 1.00 0.00 N ATOM 0 H GLN A 17 8.197 -0.639 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 17 6.490 1.325 -9.122 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.606 -0.956 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.709 0.198 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.857 0.984 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.229 -0.533 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.294 -0.553 -5.136 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.604 0.844 -4.101 1.00 0.00 H new ATOM 274 N LYS A 18 9.497 2.249 -9.727 1.00 0.00 N ATOM 275 CA LYS A 18 10.427 3.365 -9.707 1.00 0.00 C ATOM 276 C LYS A 18 9.942 4.444 -10.679 1.00 0.00 C ATOM 277 O LYS A 18 10.188 5.630 -10.469 1.00 0.00 O ATOM 278 CB LYS A 18 11.852 2.883 -9.985 1.00 0.00 C ATOM 279 CG LYS A 18 12.278 1.821 -8.970 1.00 0.00 C ATOM 280 CD LYS A 18 13.699 1.327 -9.256 1.00 0.00 C ATOM 281 CE LYS A 18 14.682 1.846 -8.206 1.00 0.00 C ATOM 282 NZ LYS A 18 15.441 3.003 -8.731 1.00 0.00 N ATOM 0 H LYS A 18 9.753 1.492 -10.361 1.00 0.00 H new ATOM 0 HA LYS A 18 10.457 3.817 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.911 2.472 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.540 3.727 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.229 2.235 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.584 0.981 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.714 0.237 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.011 1.659 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.141 2.137 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.371 1.051 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.103 3.342 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.973 2.714 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.781 3.767 -8.981 1.00 0.00 H new ATOM 296 N HIS A 19 9.263 3.992 -11.722 1.00 0.00 N ATOM 297 CA HIS A 19 8.741 4.903 -12.728 1.00 0.00 C ATOM 298 C HIS A 19 7.370 5.419 -12.290 1.00 0.00 C ATOM 299 O HIS A 19 6.342 4.854 -12.658 1.00 0.00 O ATOM 300 CB HIS A 19 8.712 4.234 -14.104 1.00 0.00 C ATOM 301 CG HIS A 19 10.075 4.038 -14.720 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.337 4.283 -16.057 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.250 3.618 -14.170 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.613 4.019 -16.291 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.178 3.605 -15.119 1.00 0.00 N ATOM 0 H HIS A 19 9.062 3.007 -11.893 1.00 0.00 H new ATOM 0 HA HIS A 19 9.402 5.765 -12.822 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.222 3.264 -14.015 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.104 4.838 -14.777 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.661 4.612 -16.746 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.400 3.342 -13.137 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.118 4.114 -17.241 1.00 0.00 H new ATOM 314 N ASN A 20 7.398 6.490 -11.509 1.00 0.00 N ATOM 315 CA ASN A 20 6.170 7.089 -11.015 1.00 0.00 C ATOM 316 C ASN A 20 6.200 8.596 -11.281 1.00 0.00 C ATOM 317 O ASN A 20 5.306 9.324 -10.853 1.00 0.00 O ATOM 318 CB ASN A 20 6.019 6.878 -9.508 1.00 0.00 C ATOM 319 CG ASN A 20 5.749 5.406 -9.185 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.750 5.048 -8.586 1.00 0.00 O ATOM 321 ND2 ASN A 20 6.695 4.576 -9.617 1.00 0.00 N ATOM 0 H ASN A 20 8.252 6.958 -11.206 1.00 0.00 H new ATOM 0 HA ASN A 20 5.334 6.615 -11.530 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.925 7.206 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.202 7.493 -9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.608 3.573 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.507 4.943 -10.113 1.00 0.00 H new ATOM 328 N ASN A 21 7.240 9.020 -11.986 1.00 0.00 N ATOM 329 CA ASN A 21 7.399 10.426 -12.313 1.00 0.00 C ATOM 330 C ASN A 21 6.944 10.666 -13.753 1.00 0.00 C ATOM 331 O ASN A 21 6.894 9.733 -14.556 1.00 0.00 O ATOM 332 CB ASN A 21 8.864 10.854 -12.203 1.00 0.00 C ATOM 333 CG ASN A 21 9.367 10.722 -10.764 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.929 11.413 -9.859 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.310 9.798 -10.604 1.00 0.00 N ATOM 0 H ASN A 21 7.980 8.414 -12.339 1.00 0.00 H new ATOM 0 HA ASN A 21 6.799 11.005 -11.611 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.476 10.241 -12.864 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.971 11.886 -12.536 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.711 9.633 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.632 9.254 -11.404 1.00 0.00 H new ATOM 342 N SER A 22 6.621 11.918 -14.039 1.00 0.00 N ATOM 343 CA SER A 22 6.171 12.290 -15.369 1.00 0.00 C ATOM 344 C SER A 22 7.278 12.022 -16.390 1.00 0.00 C ATOM 345 O SER A 22 7.012 11.917 -17.587 1.00 0.00 O ATOM 346 CB SER A 22 5.752 13.761 -15.416 1.00 0.00 C ATOM 347 OG SER A 22 5.198 14.119 -16.680 1.00 0.00 O ATOM 0 H SER A 22 6.662 12.688 -13.372 1.00 0.00 H new ATOM 0 HA SER A 22 5.301 11.683 -15.618 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.020 13.955 -14.632 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.617 14.391 -15.208 1.00 0.00 H new ATOM 0 HG SER A 22 4.942 15.065 -16.669 1.00 0.00 H new ATOM 353 N LYS A 23 8.496 11.917 -15.880 1.00 0.00 N ATOM 354 CA LYS A 23 9.645 11.663 -16.734 1.00 0.00 C ATOM 355 C LYS A 23 9.842 10.152 -16.878 1.00 0.00 C ATOM 356 O LYS A 23 10.594 9.700 -17.740 1.00 0.00 O ATOM 357 CB LYS A 23 10.879 12.397 -16.206 1.00 0.00 C ATOM 358 CG LYS A 23 11.347 13.465 -17.196 1.00 0.00 C ATOM 359 CD LYS A 23 12.339 12.880 -18.205 1.00 0.00 C ATOM 360 CE LYS A 23 12.181 13.542 -19.574 1.00 0.00 C ATOM 361 NZ LYS A 23 13.507 13.825 -20.169 1.00 0.00 N ATOM 0 H LYS A 23 8.713 12.003 -14.887 1.00 0.00 H new ATOM 0 HA LYS A 23 9.472 12.060 -17.734 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.648 12.861 -15.247 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.683 11.683 -16.029 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.488 13.879 -17.723 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.815 14.287 -16.655 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.357 13.022 -17.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.180 11.806 -18.296 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.610 12.891 -20.236 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.616 14.468 -19.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.382 14.275 -21.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.039 14.464 -19.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.033 12.935 -20.283 1.00 0.00 H new ATOM 375 N SER A 24 9.155 9.413 -16.020 1.00 0.00 N ATOM 376 CA SER A 24 9.244 7.964 -16.040 1.00 0.00 C ATOM 377 C SER A 24 7.969 7.351 -15.459 1.00 0.00 C ATOM 378 O SER A 24 7.987 6.797 -14.361 1.00 0.00 O ATOM 379 CB SER A 24 10.470 7.476 -15.262 1.00 0.00 C ATOM 380 OG SER A 24 11.368 6.741 -16.088 1.00 0.00 O ATOM 0 H SER A 24 8.533 9.792 -15.305 1.00 0.00 H new ATOM 0 HA SER A 24 9.353 7.644 -17.076 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.991 8.332 -14.832 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.146 6.849 -14.431 1.00 0.00 H new ATOM 0 HG SER A 24 12.206 6.586 -15.603 1.00 0.00 H new ATOM 386 N THR A 25 6.892 7.473 -16.221 1.00 0.00 N ATOM 387 CA THR A 25 5.609 6.938 -15.795 1.00 0.00 C ATOM 388 C THR A 25 5.351 5.584 -16.458 1.00 0.00 C ATOM 389 O THR A 25 4.792 5.521 -17.553 1.00 0.00 O ATOM 390 CB THR A 25 4.536 7.982 -16.105 1.00 0.00 C ATOM 391 OG1 THR A 25 5.256 9.210 -16.183 1.00 0.00 O ATOM 392 CG2 THR A 25 3.568 8.191 -14.939 1.00 0.00 C ATOM 0 H THR A 25 6.881 7.934 -17.131 1.00 0.00 H new ATOM 0 HA THR A 25 5.595 6.747 -14.722 1.00 0.00 H new ATOM 0 HB THR A 25 3.978 7.676 -16.990 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.586 9.453 -15.293 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.827 8.942 -15.212 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.065 7.251 -14.710 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.121 8.529 -14.063 1.00 0.00 H new ATOM 400 N TRP A 26 5.766 4.533 -15.765 1.00 0.00 N ATOM 401 CA TRP A 26 5.584 3.184 -16.272 1.00 0.00 C ATOM 402 C TRP A 26 4.551 2.481 -15.391 1.00 0.00 C ATOM 403 O TRP A 26 4.548 2.655 -14.174 1.00 0.00 O ATOM 404 CB TRP A 26 6.920 2.439 -16.338 1.00 0.00 C ATOM 405 CG TRP A 26 7.606 2.507 -17.704 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.937 1.492 -18.512 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.032 3.702 -18.393 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.544 1.942 -19.667 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.602 3.328 -19.592 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.937 5.052 -18.015 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.124 4.246 -20.511 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.463 5.958 -18.945 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.042 5.598 -20.156 1.00 0.00 C ATOM 0 H TRP A 26 6.227 4.589 -14.857 1.00 0.00 H new ATOM 0 HA TRP A 26 5.210 3.205 -17.296 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.592 2.852 -15.585 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.754 1.393 -16.078 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.752 0.452 -18.288 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.887 1.364 -20.434 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.494 5.366 -17.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.566 3.928 -21.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.415 7.010 -18.704 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.427 6.358 -20.820 1.00 0.00 H new ATOM 424 N LEU A 27 3.696 1.704 -16.040 1.00 0.00 N ATOM 425 CA LEU A 27 2.660 0.975 -15.330 1.00 0.00 C ATOM 426 C LEU A 27 2.431 -0.375 -16.014 1.00 0.00 C ATOM 427 O LEU A 27 2.934 -0.611 -17.112 1.00 0.00 O ATOM 428 CB LEU A 27 1.393 1.825 -15.211 1.00 0.00 C ATOM 429 CG LEU A 27 0.352 1.636 -16.315 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.015 1.580 -17.691 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.514 0.403 -16.047 1.00 0.00 C ATOM 0 H LEU A 27 3.700 1.564 -17.050 1.00 0.00 H new ATOM 0 HA LEU A 27 2.975 0.766 -14.308 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.921 1.606 -14.253 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.685 2.875 -15.190 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.309 2.502 -16.311 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.252 1.445 -18.457 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.553 2.510 -17.874 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.714 0.744 -17.724 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.246 0.292 -16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.118 -0.484 -16.008 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.032 0.522 -15.095 1.00 0.00 H new ATOM 443 N ILE A 28 1.674 -1.226 -15.337 1.00 0.00 N ATOM 444 CA ILE A 28 1.373 -2.545 -15.865 1.00 0.00 C ATOM 445 C ILE A 28 -0.140 -2.687 -16.039 1.00 0.00 C ATOM 446 O ILE A 28 -0.898 -2.509 -15.087 1.00 0.00 O ATOM 447 CB ILE A 28 1.996 -3.630 -14.983 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.286 -3.130 -14.328 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.216 -4.920 -15.775 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.478 -3.760 -12.947 1.00 0.00 C ATOM 0 H ILE A 28 1.260 -1.027 -14.426 1.00 0.00 H new ATOM 0 HA ILE A 28 1.820 -2.672 -16.851 1.00 0.00 H new ATOM 0 HB ILE A 28 1.297 -3.862 -14.180 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.138 -3.371 -14.964 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.254 -2.044 -14.235 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.660 -5.675 -15.125 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.260 -5.283 -16.152 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.886 -4.723 -16.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.401 -3.389 -12.503 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.636 -3.497 -12.307 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.534 -4.844 -13.046 1.00 0.00 H new ATOM 462 N LEU A 29 -0.534 -3.009 -17.262 1.00 0.00 N ATOM 463 CA LEU A 29 -1.944 -3.177 -17.574 1.00 0.00 C ATOM 464 C LEU A 29 -2.177 -4.589 -18.113 1.00 0.00 C ATOM 465 O LEU A 29 -1.483 -5.031 -19.027 1.00 0.00 O ATOM 466 CB LEU A 29 -2.420 -2.072 -18.519 1.00 0.00 C ATOM 467 CG LEU A 29 -3.651 -1.285 -18.064 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.496 -0.849 -19.262 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.466 -2.083 -17.046 1.00 0.00 C ATOM 0 H LEU A 29 0.098 -3.158 -18.049 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.548 -3.075 -16.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.599 -1.370 -18.668 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.637 -2.519 -19.489 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.312 -0.378 -17.563 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.365 -0.292 -18.911 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.899 -0.215 -19.917 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.828 -1.729 -19.813 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.335 -1.501 -16.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.797 -3.018 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.848 -2.299 -16.175 1.00 0.00 H new ATOM 481 N HIS A 30 -3.157 -5.259 -17.526 1.00 0.00 N ATOM 482 CA HIS A 30 -3.491 -6.612 -17.935 1.00 0.00 C ATOM 483 C HIS A 30 -2.375 -7.568 -17.506 1.00 0.00 C ATOM 484 O HIS A 30 -2.636 -8.588 -16.870 1.00 0.00 O ATOM 485 CB HIS A 30 -3.776 -6.670 -19.436 1.00 0.00 C ATOM 486 CG HIS A 30 -4.834 -5.695 -19.899 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.529 -4.462 -20.446 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.195 -5.788 -19.890 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.662 -3.847 -20.748 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.693 -4.669 -20.402 1.00 0.00 N ATOM 0 H HIS A 30 -3.732 -4.889 -16.769 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.407 -6.931 -17.437 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.852 -6.472 -19.979 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.089 -7.681 -19.697 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.591 -4.090 -20.592 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.769 -6.628 -19.528 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.753 -2.866 -21.191 1.00 0.00 H new ATOM 499 N TYR A 31 -1.155 -7.205 -17.873 1.00 0.00 N ATOM 500 CA TYR A 31 0.002 -8.016 -17.535 1.00 0.00 C ATOM 501 C TYR A 31 1.271 -7.460 -18.183 1.00 0.00 C ATOM 502 O TYR A 31 2.379 -7.861 -17.830 1.00 0.00 O ATOM 503 CB TYR A 31 -0.280 -9.409 -18.104 1.00 0.00 C ATOM 504 CG TYR A 31 0.723 -9.860 -19.169 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.005 -10.214 -18.803 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.343 -9.913 -20.494 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.948 -10.638 -19.805 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.285 -10.337 -21.496 1.00 0.00 C ATOM 509 CZ TYR A 31 2.542 -10.680 -21.102 1.00 0.00 C ATOM 510 OH TYR A 31 3.433 -11.081 -22.048 1.00 0.00 O ATOM 0 H TYR A 31 -0.942 -6.359 -18.402 1.00 0.00 H new ATOM 0 HA TYR A 31 0.160 -8.028 -16.457 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.277 -10.131 -17.288 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.281 -9.419 -18.535 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.301 -10.173 -17.765 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.661 -9.636 -20.779 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.955 -10.916 -19.533 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.001 -10.382 -22.537 1.00 0.00 H new ATOM 0 HH TYR A 31 4.330 -10.770 -21.805 1.00 0.00 H new ATOM 520 N LYS A 32 1.067 -6.546 -19.120 1.00 0.00 N ATOM 521 CA LYS A 32 2.181 -5.931 -19.821 1.00 0.00 C ATOM 522 C LYS A 32 2.502 -4.582 -19.174 1.00 0.00 C ATOM 523 O LYS A 32 1.817 -4.156 -18.245 1.00 0.00 O ATOM 524 CB LYS A 32 1.887 -5.840 -21.320 1.00 0.00 C ATOM 525 CG LYS A 32 1.731 -7.234 -21.933 1.00 0.00 C ATOM 526 CD LYS A 32 0.384 -7.372 -22.644 1.00 0.00 C ATOM 527 CE LYS A 32 0.574 -7.518 -24.155 1.00 0.00 C ATOM 528 NZ LYS A 32 -0.735 -7.506 -24.845 1.00 0.00 N ATOM 0 H LYS A 32 0.146 -6.216 -19.410 1.00 0.00 H new ATOM 0 HA LYS A 32 3.075 -6.549 -19.732 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.976 -5.264 -21.481 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.695 -5.307 -21.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.540 -7.417 -22.640 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.813 -7.990 -21.152 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.149 -8.240 -22.255 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.233 -6.498 -22.434 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.197 -6.705 -24.529 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.098 -8.448 -24.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.588 -7.606 -25.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.317 -8.296 -24.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.221 -6.607 -24.651 1.00 0.00 H new ATOM 542 N VAL A 33 3.545 -3.947 -19.691 1.00 0.00 N ATOM 543 CA VAL A 33 3.964 -2.655 -19.177 1.00 0.00 C ATOM 544 C VAL A 33 3.836 -1.605 -20.281 1.00 0.00 C ATOM 545 O VAL A 33 4.239 -1.843 -21.418 1.00 0.00 O ATOM 546 CB VAL A 33 5.381 -2.755 -18.607 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.789 -1.449 -17.920 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.505 -3.941 -17.649 1.00 0.00 C ATOM 0 H VAL A 33 4.112 -4.304 -20.460 1.00 0.00 H new ATOM 0 HA VAL A 33 3.318 -2.342 -18.356 1.00 0.00 H new ATOM 0 HB VAL A 33 6.065 -2.924 -19.438 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.800 -1.547 -17.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.760 -0.633 -18.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.098 -1.236 -17.104 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.522 -3.989 -17.259 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.805 -3.816 -16.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.277 -4.864 -18.182 1.00 0.00 H new ATOM 558 N TYR A 34 3.273 -0.465 -19.907 1.00 0.00 N ATOM 559 CA TYR A 34 3.087 0.623 -20.852 1.00 0.00 C ATOM 560 C TYR A 34 3.773 1.900 -20.361 1.00 0.00 C ATOM 561 O TYR A 34 3.968 2.080 -19.161 1.00 0.00 O ATOM 562 CB TYR A 34 1.577 0.865 -20.924 1.00 0.00 C ATOM 563 CG TYR A 34 0.759 -0.393 -21.218 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.728 -1.426 -20.303 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.051 -0.497 -22.397 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.042 -2.611 -20.579 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.720 -1.680 -22.673 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.728 -2.679 -21.752 1.00 0.00 C ATOM 569 OH TYR A 34 -1.456 -3.799 -22.013 1.00 0.00 O ATOM 0 H TYR A 34 2.940 -0.271 -18.963 1.00 0.00 H new ATOM 0 HA TYR A 34 3.517 0.368 -21.821 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.242 1.291 -19.978 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.375 1.606 -21.697 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.282 -1.345 -19.379 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.075 0.310 -23.114 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.074 -3.427 -19.872 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.280 -1.772 -23.592 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.568 -4.316 -21.188 1.00 0.00 H new ATOM 579 N ASP A 35 4.120 2.750 -21.315 1.00 0.00 N ATOM 580 CA ASP A 35 4.781 4.004 -20.995 1.00 0.00 C ATOM 581 C ASP A 35 3.726 5.093 -20.787 1.00 0.00 C ATOM 582 O ASP A 35 3.356 5.792 -21.729 1.00 0.00 O ATOM 583 CB ASP A 35 5.701 4.449 -22.134 1.00 0.00 C ATOM 584 CG ASP A 35 6.826 5.400 -21.721 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.619 6.129 -20.729 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.871 5.375 -22.410 1.00 0.00 O ATOM 0 H ASP A 35 3.956 2.596 -22.310 1.00 0.00 H new ATOM 0 HA ASP A 35 5.373 3.852 -20.092 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.143 3.564 -22.591 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.097 4.935 -22.900 1.00 0.00 H new ATOM 591 N LEU A 36 3.271 5.203 -19.548 1.00 0.00 N ATOM 592 CA LEU A 36 2.266 6.195 -19.204 1.00 0.00 C ATOM 593 C LEU A 36 2.806 7.591 -19.517 1.00 0.00 C ATOM 594 O LEU A 36 2.050 8.480 -19.908 1.00 0.00 O ATOM 595 CB LEU A 36 1.815 6.020 -17.753 1.00 0.00 C ATOM 596 CG LEU A 36 0.898 4.827 -17.474 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.075 5.053 -16.203 1.00 0.00 C ATOM 598 CD2 LEU A 36 0.012 4.524 -18.684 1.00 0.00 C ATOM 0 H LEU A 36 3.580 4.621 -18.769 1.00 0.00 H new ATOM 0 HA LEU A 36 1.371 6.056 -19.810 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.702 5.925 -17.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.300 6.929 -17.441 1.00 0.00 H new ATOM 0 HG LEU A 36 1.521 3.949 -17.302 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.568 4.191 -16.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.746 5.184 -15.354 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.539 5.946 -16.321 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.630 3.672 -18.460 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.605 5.394 -18.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.639 4.290 -19.544 1.00 0.00 H new ATOM 610 N THR A 37 4.109 7.741 -19.333 1.00 0.00 N ATOM 611 CA THR A 37 4.760 9.015 -19.591 1.00 0.00 C ATOM 612 C THR A 37 4.447 9.497 -21.009 1.00 0.00 C ATOM 613 O THR A 37 4.611 10.676 -21.318 1.00 0.00 O ATOM 614 CB THR A 37 6.257 8.844 -19.323 1.00 0.00 C ATOM 615 OG1 THR A 37 6.492 9.625 -18.154 1.00 0.00 O ATOM 616 CG2 THR A 37 7.123 9.509 -20.395 1.00 0.00 C ATOM 0 H THR A 37 4.732 7.002 -19.008 1.00 0.00 H new ATOM 0 HA THR A 37 4.383 9.793 -18.927 1.00 0.00 H new ATOM 0 HB THR A 37 6.497 7.782 -19.269 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.806 9.424 -17.483 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.176 9.358 -20.157 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.903 9.066 -21.366 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.907 10.577 -20.426 1.00 0.00 H new ATOM 624 N LYS A 38 4.001 8.560 -21.832 1.00 0.00 N ATOM 625 CA LYS A 38 3.663 8.873 -23.210 1.00 0.00 C ATOM 626 C LYS A 38 2.153 9.087 -23.325 1.00 0.00 C ATOM 627 O LYS A 38 1.693 9.867 -24.157 1.00 0.00 O ATOM 628 CB LYS A 38 4.207 7.799 -24.154 1.00 0.00 C ATOM 629 CG LYS A 38 5.629 8.134 -24.607 1.00 0.00 C ATOM 630 CD LYS A 38 6.120 7.138 -25.660 1.00 0.00 C ATOM 631 CE LYS A 38 6.880 7.852 -26.777 1.00 0.00 C ATOM 632 NZ LYS A 38 7.419 6.871 -27.747 1.00 0.00 N ATOM 0 H LYS A 38 3.866 7.583 -21.571 1.00 0.00 H new ATOM 0 HA LYS A 38 4.141 9.804 -23.517 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.200 6.832 -23.652 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.556 7.711 -25.024 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.655 9.144 -25.017 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.300 8.121 -23.748 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.767 6.397 -25.191 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.271 6.599 -26.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.217 8.550 -27.287 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.695 8.439 -26.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.932 7.373 -28.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.068 6.221 -27.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.636 6.329 -28.165 1.00 0.00 H new ATOM 646 N PHE A 39 1.421 8.376 -22.478 1.00 0.00 N ATOM 647 CA PHE A 39 -0.029 8.477 -22.473 1.00 0.00 C ATOM 648 C PHE A 39 -0.507 9.439 -21.384 1.00 0.00 C ATOM 649 O PHE A 39 -1.703 9.519 -21.104 1.00 0.00 O ATOM 650 CB PHE A 39 -0.573 7.078 -22.178 1.00 0.00 C ATOM 651 CG PHE A 39 -2.052 6.901 -22.528 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.562 7.486 -23.644 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.856 6.156 -21.722 1.00 0.00 C ATOM 654 CE1 PHE A 39 -3.935 7.320 -23.969 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.228 5.991 -22.047 1.00 0.00 C ATOM 656 CZ PHE A 39 -4.739 6.576 -23.163 1.00 0.00 C ATOM 0 H PHE A 39 1.805 7.728 -21.791 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.380 8.855 -23.433 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.012 6.346 -22.735 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.432 6.860 -21.119 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.923 8.077 -24.284 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.451 5.691 -20.836 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.340 7.784 -24.856 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.867 5.400 -21.407 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.783 6.450 -23.409 1.00 0.00 H new ATOM 666 N LEU A 40 0.449 10.144 -20.799 1.00 0.00 N ATOM 667 CA LEU A 40 0.139 11.097 -19.747 1.00 0.00 C ATOM 668 C LEU A 40 -0.801 12.171 -20.297 1.00 0.00 C ATOM 669 O LEU A 40 -1.945 12.282 -19.859 1.00 0.00 O ATOM 670 CB LEU A 40 1.425 11.660 -19.137 1.00 0.00 C ATOM 671 CG LEU A 40 1.496 11.667 -17.609 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.963 10.313 -17.074 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.374 12.816 -17.106 1.00 0.00 C ATOM 0 H LEU A 40 1.439 10.075 -21.033 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.385 10.603 -18.929 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.267 11.082 -19.517 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.554 12.683 -19.492 1.00 0.00 H new ATOM 0 HG LEU A 40 0.491 11.836 -17.222 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.004 10.347 -15.985 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.264 9.537 -17.387 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.954 10.088 -17.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.408 12.798 -16.017 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.383 12.703 -17.502 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.957 13.766 -17.441 1.00 0.00 H new ATOM 685 N GLU A 41 -0.284 12.933 -21.248 1.00 0.00 N ATOM 686 CA GLU A 41 -1.063 13.995 -21.863 1.00 0.00 C ATOM 687 C GLU A 41 -2.497 13.524 -22.113 1.00 0.00 C ATOM 688 O GLU A 41 -3.433 14.013 -21.483 1.00 0.00 O ATOM 689 CB GLU A 41 -0.410 14.473 -23.162 1.00 0.00 C ATOM 690 CG GLU A 41 0.225 15.853 -22.980 1.00 0.00 C ATOM 691 CD GLU A 41 0.734 16.404 -24.315 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.095 17.003 -25.033 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.938 16.212 -24.585 1.00 0.00 O ATOM 0 H GLU A 41 0.665 12.837 -21.609 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.092 14.841 -21.177 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.350 13.757 -23.476 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.157 14.514 -23.955 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.506 16.540 -22.554 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.051 15.787 -22.272 1.00 0.00 H new ATOM 700 N GLU A 42 -2.624 12.578 -23.032 1.00 0.00 N ATOM 701 CA GLU A 42 -3.928 12.036 -23.374 1.00 0.00 C ATOM 702 C GLU A 42 -4.667 11.596 -22.107 1.00 0.00 C ATOM 703 O GLU A 42 -4.200 11.841 -20.996 1.00 0.00 O ATOM 704 CB GLU A 42 -3.799 10.878 -24.363 1.00 0.00 C ATOM 705 CG GLU A 42 -4.161 11.324 -25.781 1.00 0.00 C ATOM 706 CD GLU A 42 -4.718 10.156 -26.598 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.938 9.914 -26.480 1.00 0.00 O ATOM 708 OE2 GLU A 42 -3.912 9.533 -27.322 1.00 0.00 O ATOM 0 H GLU A 42 -1.845 12.173 -23.551 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.510 12.820 -23.859 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.779 10.494 -24.348 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.452 10.060 -24.058 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.898 12.126 -25.737 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.278 11.730 -26.275 1.00 0.00 H new ATOM 715 N HIS A 43 -5.807 10.955 -22.319 1.00 0.00 N ATOM 716 CA HIS A 43 -6.614 10.479 -21.208 1.00 0.00 C ATOM 717 C HIS A 43 -7.398 11.646 -20.606 1.00 0.00 C ATOM 718 O HIS A 43 -6.856 12.735 -20.427 1.00 0.00 O ATOM 719 CB HIS A 43 -5.747 9.753 -20.178 1.00 0.00 C ATOM 720 CG HIS A 43 -6.534 8.950 -19.169 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.422 9.530 -18.278 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.558 7.609 -18.919 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.950 8.572 -17.531 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.413 7.383 -17.929 1.00 0.00 N ATOM 0 H HIS A 43 -6.191 10.754 -23.242 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.338 9.747 -21.567 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.060 9.087 -20.701 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.139 10.486 -19.649 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.633 10.525 -18.209 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.980 6.859 -19.438 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.678 8.708 -16.745 1.00 0.00 H new ATOM 733 N PRO A 44 -8.695 11.370 -20.300 1.00 0.00 N ATOM 734 CA PRO A 44 -9.559 12.386 -19.722 1.00 0.00 C ATOM 735 C PRO A 44 -9.224 12.614 -18.246 1.00 0.00 C ATOM 736 O PRO A 44 -8.966 13.743 -17.833 1.00 0.00 O ATOM 737 CB PRO A 44 -10.972 11.869 -19.937 1.00 0.00 C ATOM 738 CG PRO A 44 -10.834 10.380 -20.207 1.00 0.00 C ATOM 739 CD PRO A 44 -9.370 10.092 -20.499 1.00 0.00 C ATOM 0 HA PRO A 44 -9.431 13.363 -20.189 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.592 12.051 -19.059 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.450 12.375 -20.776 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.172 9.803 -19.346 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.457 10.086 -21.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.976 9.327 -19.830 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.234 9.726 -21.517 1.00 0.00 H new ATOM 747 N GLY A 45 -9.240 11.525 -17.494 1.00 0.00 N ATOM 748 CA GLY A 45 -8.942 11.592 -16.073 1.00 0.00 C ATOM 749 C GLY A 45 -7.839 12.614 -15.792 1.00 0.00 C ATOM 750 O GLY A 45 -7.974 13.449 -14.899 1.00 0.00 O ATOM 0 H GLY A 45 -9.455 10.590 -17.841 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.842 11.862 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.632 10.610 -15.716 1.00 0.00 H new ATOM 754 N GLY A 46 -6.773 12.516 -16.571 1.00 0.00 N ATOM 755 CA GLY A 46 -5.647 13.422 -16.418 1.00 0.00 C ATOM 756 C GLY A 46 -4.339 12.647 -16.238 1.00 0.00 C ATOM 757 O GLY A 46 -4.351 11.495 -15.810 1.00 0.00 O ATOM 0 H GLY A 46 -6.664 11.822 -17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.574 14.068 -17.293 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.811 14.070 -15.557 1.00 0.00 H new ATOM 761 N GLU A 47 -3.244 13.313 -16.574 1.00 0.00 N ATOM 762 CA GLU A 47 -1.931 12.701 -16.456 1.00 0.00 C ATOM 763 C GLU A 47 -1.857 11.847 -15.188 1.00 0.00 C ATOM 764 O GLU A 47 -1.399 10.706 -15.230 1.00 0.00 O ATOM 765 CB GLU A 47 -0.828 13.762 -16.467 1.00 0.00 C ATOM 766 CG GLU A 47 -0.584 14.283 -17.885 1.00 0.00 C ATOM 767 CD GLU A 47 -0.560 15.812 -17.910 1.00 0.00 C ATOM 768 OE1 GLU A 47 -1.515 16.404 -17.362 1.00 0.00 O ATOM 769 OE2 GLU A 47 0.413 16.354 -18.478 1.00 0.00 O ATOM 0 H GLU A 47 -3.239 14.270 -16.928 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.774 12.053 -17.318 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.107 14.589 -15.815 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.093 13.338 -16.068 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.362 13.895 -18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.366 13.917 -18.550 1.00 0.00 H new ATOM 776 N GLU A 48 -2.313 12.433 -14.091 1.00 0.00 N ATOM 777 CA GLU A 48 -2.304 11.740 -12.813 1.00 0.00 C ATOM 778 C GLU A 48 -2.978 10.374 -12.945 1.00 0.00 C ATOM 779 O GLU A 48 -2.454 9.370 -12.464 1.00 0.00 O ATOM 780 CB GLU A 48 -2.977 12.581 -11.728 1.00 0.00 C ATOM 781 CG GLU A 48 -2.106 12.659 -10.472 1.00 0.00 C ATOM 782 CD GLU A 48 -2.295 13.996 -9.755 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.466 14.421 -9.644 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.265 14.564 -9.333 1.00 0.00 O ATOM 0 H GLU A 48 -2.691 13.380 -14.060 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.267 11.584 -12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.165 13.586 -12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.945 12.148 -11.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.361 11.842 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.058 12.533 -10.744 1.00 0.00 H new ATOM 791 N VAL A 49 -4.130 10.379 -13.600 1.00 0.00 N ATOM 792 CA VAL A 49 -4.881 9.152 -13.802 1.00 0.00 C ATOM 793 C VAL A 49 -3.922 8.033 -14.210 1.00 0.00 C ATOM 794 O VAL A 49 -4.210 6.855 -13.999 1.00 0.00 O ATOM 795 CB VAL A 49 -5.998 9.383 -14.822 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.458 9.308 -16.251 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.143 8.392 -14.615 1.00 0.00 C ATOM 0 H VAL A 49 -4.561 11.213 -13.998 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.364 8.844 -12.875 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.393 10.387 -14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.272 9.476 -16.957 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.693 10.072 -16.391 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.024 8.323 -16.425 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.923 8.578 -15.353 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.769 7.375 -14.731 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.554 8.515 -13.613 1.00 0.00 H new ATOM 807 N LEU A 50 -2.801 8.439 -14.788 1.00 0.00 N ATOM 808 CA LEU A 50 -1.798 7.484 -15.227 1.00 0.00 C ATOM 809 C LEU A 50 -0.605 7.525 -14.268 1.00 0.00 C ATOM 810 O LEU A 50 -0.061 6.483 -13.905 1.00 0.00 O ATOM 811 CB LEU A 50 -1.419 7.740 -16.688 1.00 0.00 C ATOM 812 CG LEU A 50 -2.586 7.957 -17.655 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.709 9.432 -18.043 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.456 7.050 -18.882 1.00 0.00 C ATOM 0 H LEU A 50 -2.565 9.416 -14.962 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.198 6.471 -15.196 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.773 8.617 -16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.830 6.894 -17.044 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.509 7.680 -17.146 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.545 9.559 -18.730 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.881 10.030 -17.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.789 9.759 -18.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.297 7.223 -19.553 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.525 7.273 -19.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.454 6.007 -18.565 1.00 0.00 H new ATOM 826 N ARG A 51 -0.236 8.737 -13.886 1.00 0.00 N ATOM 827 CA ARG A 51 0.881 8.929 -12.975 1.00 0.00 C ATOM 828 C ARG A 51 0.554 8.333 -11.603 1.00 0.00 C ATOM 829 O ARG A 51 1.377 7.634 -11.016 1.00 0.00 O ATOM 830 CB ARG A 51 1.213 10.413 -12.814 1.00 0.00 C ATOM 831 CG ARG A 51 2.709 10.615 -12.566 1.00 0.00 C ATOM 832 CD ARG A 51 2.972 11.047 -11.122 1.00 0.00 C ATOM 833 NE ARG A 51 4.020 12.091 -11.088 1.00 0.00 N ATOM 834 CZ ARG A 51 4.367 12.772 -9.987 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.754 12.521 -8.822 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.329 13.702 -10.051 1.00 0.00 N ATOM 0 H ARG A 51 -0.690 9.598 -14.190 1.00 0.00 H new ATOM 0 HA ARG A 51 1.747 8.420 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.912 10.956 -13.710 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.643 10.829 -11.983 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.244 9.689 -12.775 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.096 11.369 -13.251 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.054 11.427 -10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.284 10.188 -10.528 1.00 0.00 H new ATOM 0 HE ARG A 51 4.509 12.306 -11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.023 11.811 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.019 13.040 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.797 13.892 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.594 14.221 -9.213 1.00 0.00 H new ATOM 850 N GLU A 52 -0.648 8.634 -11.134 1.00 0.00 N ATOM 851 CA GLU A 52 -1.093 8.137 -9.844 1.00 0.00 C ATOM 852 C GLU A 52 -1.081 6.608 -9.830 1.00 0.00 C ATOM 853 O GLU A 52 -1.050 5.993 -8.765 1.00 0.00 O ATOM 854 CB GLU A 52 -2.482 8.678 -9.498 1.00 0.00 C ATOM 855 CG GLU A 52 -2.433 9.553 -8.244 1.00 0.00 C ATOM 856 CD GLU A 52 -2.358 8.695 -6.979 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.461 7.825 -6.936 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.199 8.929 -6.084 1.00 0.00 O ATOM 0 H GLU A 52 -1.327 9.216 -11.625 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.400 8.492 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.869 9.258 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.170 7.848 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.568 10.214 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.318 10.188 -8.205 1.00 0.00 H new ATOM 865 N GLN A 53 -1.108 6.036 -11.026 1.00 0.00 N ATOM 866 CA GLN A 53 -1.100 4.591 -11.164 1.00 0.00 C ATOM 867 C GLN A 53 0.312 4.095 -11.483 1.00 0.00 C ATOM 868 O GLN A 53 0.665 2.963 -11.158 1.00 0.00 O ATOM 869 CB GLN A 53 -2.095 4.138 -12.235 1.00 0.00 C ATOM 870 CG GLN A 53 -1.707 4.683 -13.611 1.00 0.00 C ATOM 871 CD GLN A 53 -2.551 4.042 -14.714 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.242 2.978 -15.225 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.628 4.745 -15.050 1.00 0.00 N ATOM 0 H GLN A 53 -1.135 6.548 -11.907 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.412 4.153 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.129 3.049 -12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.096 4.480 -11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.841 5.765 -13.628 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.651 4.489 -13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.827 5.629 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.255 4.401 -15.777 1.00 0.00 H new ATOM 882 N ALA A 54 1.082 4.967 -12.116 1.00 0.00 N ATOM 883 CA ALA A 54 2.447 4.633 -12.483 1.00 0.00 C ATOM 884 C ALA A 54 3.208 4.173 -11.237 1.00 0.00 C ATOM 885 O ALA A 54 3.177 4.842 -10.205 1.00 0.00 O ATOM 886 CB ALA A 54 3.106 5.840 -13.154 1.00 0.00 C ATOM 0 H ALA A 54 0.786 5.906 -12.384 1.00 0.00 H new ATOM 0 HA ALA A 54 2.461 3.813 -13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.130 5.589 -13.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.545 6.110 -14.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.112 6.682 -12.462 1.00 0.00 H new ATOM 892 N GLY A 55 3.869 3.035 -11.374 1.00 0.00 N ATOM 893 CA GLY A 55 4.636 2.477 -10.272 1.00 0.00 C ATOM 894 C GLY A 55 4.140 1.074 -9.914 1.00 0.00 C ATOM 895 O GLY A 55 4.416 0.574 -8.825 1.00 0.00 O ATOM 0 H GLY A 55 3.890 2.483 -12.231 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.691 2.436 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.556 3.128 -9.402 1.00 0.00 H new ATOM 899 N GLY A 56 3.416 0.480 -10.851 1.00 0.00 N ATOM 900 CA GLY A 56 2.879 -0.856 -10.648 1.00 0.00 C ATOM 901 C GLY A 56 1.751 -1.149 -11.638 1.00 0.00 C ATOM 902 O GLY A 56 1.440 -0.321 -12.494 1.00 0.00 O ATOM 0 H GLY A 56 3.188 0.899 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.673 -1.593 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.506 -0.951 -9.628 1.00 0.00 H new ATOM 906 N ASP A 57 1.168 -2.330 -11.490 1.00 0.00 N ATOM 907 CA ASP A 57 0.082 -2.743 -12.361 1.00 0.00 C ATOM 908 C ASP A 57 -1.156 -1.895 -12.061 1.00 0.00 C ATOM 909 O ASP A 57 -1.612 -1.837 -10.921 1.00 0.00 O ATOM 910 CB ASP A 57 -0.283 -4.210 -12.127 1.00 0.00 C ATOM 911 CG ASP A 57 -1.747 -4.564 -12.396 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.606 -4.008 -11.679 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.974 -5.382 -13.315 1.00 0.00 O ATOM 0 H ASP A 57 1.428 -3.014 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 57 0.408 -2.612 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.348 -4.831 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.047 -4.467 -11.094 1.00 0.00 H new ATOM 918 N ALA A 58 -1.663 -1.258 -13.107 1.00 0.00 N ATOM 919 CA ALA A 58 -2.839 -0.415 -12.971 1.00 0.00 C ATOM 920 C ALA A 58 -4.086 -1.225 -13.330 1.00 0.00 C ATOM 921 O ALA A 58 -5.209 -0.756 -13.150 1.00 0.00 O ATOM 922 CB ALA A 58 -2.679 0.829 -13.846 1.00 0.00 C ATOM 0 H ALA A 58 -1.281 -1.309 -14.051 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.952 -0.076 -11.941 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.561 1.461 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.796 1.385 -13.531 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.566 0.529 -14.888 1.00 0.00 H new ATOM 928 N THR A 59 -3.847 -2.428 -13.833 1.00 0.00 N ATOM 929 CA THR A 59 -4.937 -3.308 -14.220 1.00 0.00 C ATOM 930 C THR A 59 -5.951 -3.433 -13.080 1.00 0.00 C ATOM 931 O THR A 59 -7.152 -3.285 -13.295 1.00 0.00 O ATOM 932 CB THR A 59 -4.334 -4.647 -14.647 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.147 -5.059 -15.744 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.539 -5.742 -13.600 1.00 0.00 C ATOM 0 H THR A 59 -2.914 -2.814 -13.981 1.00 0.00 H new ATOM 0 HA THR A 59 -5.493 -2.902 -15.065 1.00 0.00 H new ATOM 0 HB THR A 59 -3.268 -4.521 -14.836 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.953 -4.503 -15.781 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.092 -6.671 -13.953 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.065 -5.444 -12.665 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.606 -5.892 -13.435 1.00 0.00 H new ATOM 942 N GLU A 60 -5.428 -3.705 -11.894 1.00 0.00 N ATOM 943 CA GLU A 60 -6.272 -3.853 -10.720 1.00 0.00 C ATOM 944 C GLU A 60 -7.248 -2.679 -10.617 1.00 0.00 C ATOM 945 O GLU A 60 -8.287 -2.787 -9.969 1.00 0.00 O ATOM 946 CB GLU A 60 -5.429 -3.979 -9.450 1.00 0.00 C ATOM 947 CG GLU A 60 -5.098 -5.442 -9.153 1.00 0.00 C ATOM 948 CD GLU A 60 -3.585 -5.665 -9.113 1.00 0.00 C ATOM 949 OE1 GLU A 60 -2.887 -4.735 -8.656 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.160 -6.760 -9.540 1.00 0.00 O ATOM 0 H GLU A 60 -4.430 -3.827 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.849 -4.772 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.506 -3.410 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.968 -3.546 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.537 -5.731 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.543 -6.081 -9.915 1.00 0.00 H new ATOM 957 N ASN A 61 -6.879 -1.585 -11.268 1.00 0.00 N ATOM 958 CA ASN A 61 -7.709 -0.393 -11.257 1.00 0.00 C ATOM 959 C ASN A 61 -8.529 -0.336 -12.548 1.00 0.00 C ATOM 960 O ASN A 61 -9.756 -0.279 -12.504 1.00 0.00 O ATOM 961 CB ASN A 61 -6.852 0.873 -11.185 1.00 0.00 C ATOM 962 CG ASN A 61 -7.207 1.706 -9.952 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.548 1.658 -8.926 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.284 2.471 -10.107 1.00 0.00 N ATOM 0 H ASN A 61 -6.017 -1.500 -11.806 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.357 -0.441 -10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.797 0.601 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.000 1.469 -12.086 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.603 3.064 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.791 2.465 -10.992 1.00 0.00 H new ATOM 971 N PHE A 62 -7.816 -0.352 -13.664 1.00 0.00 N ATOM 972 CA PHE A 62 -8.463 -0.303 -14.965 1.00 0.00 C ATOM 973 C PHE A 62 -9.627 -1.293 -15.035 1.00 0.00 C ATOM 974 O PHE A 62 -10.535 -1.132 -15.849 1.00 0.00 O ATOM 975 CB PHE A 62 -7.410 -0.697 -16.003 1.00 0.00 C ATOM 976 CG PHE A 62 -7.823 -1.869 -16.895 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.711 -3.145 -16.437 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.303 -1.635 -18.146 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.095 -4.232 -17.265 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.685 -2.723 -18.974 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.573 -3.999 -18.516 1.00 0.00 C ATOM 0 H PHE A 62 -6.798 -0.398 -13.695 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.859 0.696 -15.147 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.194 0.167 -16.632 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.485 -0.955 -15.487 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.330 -3.331 -15.444 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.393 -0.622 -18.509 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.007 -5.245 -16.901 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.065 -2.538 -19.968 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.864 -4.827 -19.146 1.00 0.00 H new ATOM 991 N GLU A 63 -9.562 -2.297 -14.173 1.00 0.00 N ATOM 992 CA GLU A 63 -10.600 -3.313 -14.128 1.00 0.00 C ATOM 993 C GLU A 63 -11.886 -2.732 -13.537 1.00 0.00 C ATOM 994 O GLU A 63 -12.972 -2.952 -14.071 1.00 0.00 O ATOM 995 CB GLU A 63 -10.135 -4.535 -13.334 1.00 0.00 C ATOM 996 CG GLU A 63 -9.483 -5.571 -14.254 1.00 0.00 C ATOM 997 CD GLU A 63 -10.538 -6.483 -14.885 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.864 -7.504 -14.241 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.994 -6.141 -15.997 1.00 0.00 O ATOM 0 H GLU A 63 -8.807 -2.429 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.807 -3.639 -15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.425 -4.226 -12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.985 -4.984 -12.819 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.920 -5.064 -15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.771 -6.170 -13.686 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.721 -2.003 -12.444 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.854 -1.388 -11.776 1.00 0.00 C ATOM 1008 C ASP A 64 -13.433 -0.288 -12.668 1.00 0.00 C ATOM 1009 O ASP A 64 -14.614 -0.319 -13.010 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.434 -0.751 -10.451 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.348 -1.060 -9.264 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.850 -2.205 -9.217 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.526 -0.146 -8.430 1.00 0.00 O ATOM 0 H ASP A 64 -10.818 -1.824 -12.004 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.593 -2.166 -11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.425 -1.085 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.389 0.330 -10.583 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.575 0.658 -13.018 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.985 1.766 -13.863 1.00 0.00 C ATOM 1020 C VAL A 65 -13.633 1.218 -15.136 1.00 0.00 C ATOM 1021 O VAL A 65 -14.316 1.947 -15.853 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.790 2.679 -14.145 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.470 1.923 -13.980 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.894 3.300 -15.540 1.00 0.00 C ATOM 0 H VAL A 65 -11.596 0.680 -12.731 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.731 2.378 -13.356 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.806 3.487 -13.414 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.637 2.595 -14.186 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.390 1.549 -12.959 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.441 1.085 -14.677 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.033 3.945 -15.716 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.915 2.509 -16.290 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.808 3.889 -15.609 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.397 -0.063 -15.378 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.950 -0.719 -16.551 1.00 0.00 C ATOM 1036 C GLY A 66 -13.674 0.098 -17.815 1.00 0.00 C ATOM 1037 O GLY A 66 -14.591 0.668 -18.403 1.00 0.00 O ATOM 0 H GLY A 66 -12.830 -0.665 -14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.517 -1.714 -16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.025 -0.851 -16.426 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.405 0.131 -18.195 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.996 0.868 -19.379 1.00 0.00 C ATOM 1043 C HIS A 67 -12.725 0.313 -20.605 1.00 0.00 C ATOM 1044 O HIS A 67 -13.522 -0.617 -20.491 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.475 0.847 -19.534 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.750 1.783 -18.598 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.190 1.364 -17.402 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.497 3.120 -18.694 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.630 2.411 -16.814 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.822 3.499 -17.615 1.00 0.00 N ATOM 0 H HIS A 67 -11.646 -0.341 -17.704 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.277 1.916 -19.275 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.117 -0.169 -19.365 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.221 1.108 -20.561 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.206 0.412 -17.036 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.795 3.762 -19.510 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.112 2.404 -15.866 1.00 0.00 H new ATOM 1059 N SER A 68 -12.427 0.909 -21.750 1.00 0.00 N ATOM 1060 CA SER A 68 -13.043 0.488 -22.996 1.00 0.00 C ATOM 1061 C SER A 68 -12.034 -0.293 -23.841 1.00 0.00 C ATOM 1062 O SER A 68 -10.829 -0.061 -23.747 1.00 0.00 O ATOM 1063 CB SER A 68 -13.576 1.688 -23.781 1.00 0.00 C ATOM 1064 OG SER A 68 -12.574 2.273 -24.610 1.00 0.00 O ATOM 0 H SER A 68 -11.766 1.681 -21.841 1.00 0.00 H new ATOM 0 HA SER A 68 -13.887 -0.159 -22.758 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.418 1.373 -24.398 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.954 2.437 -23.085 1.00 0.00 H new ATOM 0 HG SER A 68 -12.955 3.035 -25.095 1.00 0.00 H new ATOM 1070 N THR A 69 -12.563 -1.202 -24.647 1.00 0.00 N ATOM 1071 CA THR A 69 -11.723 -2.018 -25.508 1.00 0.00 C ATOM 1072 C THR A 69 -10.776 -1.134 -26.322 1.00 0.00 C ATOM 1073 O THR A 69 -9.719 -1.588 -26.756 1.00 0.00 O ATOM 1074 CB THR A 69 -12.638 -2.887 -26.373 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.015 -3.958 -25.512 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.884 -3.574 -27.514 1.00 0.00 C ATOM 0 H THR A 69 -13.562 -1.392 -24.722 1.00 0.00 H new ATOM 0 HA THR A 69 -11.080 -2.677 -24.925 1.00 0.00 H new ATOM 0 HB THR A 69 -13.439 -2.273 -26.784 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.611 -4.570 -25.992 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.579 -4.178 -28.097 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.431 -2.819 -28.157 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.104 -4.214 -27.101 1.00 0.00 H new ATOM 1084 N ASP A 70 -11.191 0.111 -26.504 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.391 1.061 -27.259 1.00 0.00 C ATOM 1086 C ASP A 70 -9.211 1.523 -26.402 1.00 0.00 C ATOM 1087 O ASP A 70 -8.081 1.587 -26.880 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.215 2.296 -27.634 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.512 3.281 -28.571 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.447 2.898 -29.103 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.055 4.395 -28.735 1.00 0.00 O ATOM 0 H ASP A 70 -12.069 0.484 -26.143 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.046 0.566 -28.167 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.141 1.967 -28.105 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.492 2.821 -26.720 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.515 1.832 -25.150 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.494 2.287 -24.222 1.00 0.00 C ATOM 1098 C ALA A 71 -7.394 1.227 -24.123 1.00 0.00 C ATOM 1099 O ALA A 71 -6.208 1.552 -24.166 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.133 2.589 -22.866 1.00 0.00 C ATOM 0 H ALA A 71 -10.454 1.776 -24.757 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.035 3.209 -24.579 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.366 2.930 -22.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.888 3.367 -22.984 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.601 1.686 -22.475 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.827 -0.019 -23.992 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.893 -1.128 -23.888 1.00 0.00 C ATOM 1108 C ARG A 72 -6.104 -1.283 -25.188 1.00 0.00 C ATOM 1109 O ARG A 72 -4.884 -1.439 -25.164 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.626 -2.437 -23.584 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.638 -2.250 -22.452 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.347 -3.566 -22.128 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.507 -4.371 -23.359 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.595 -5.242 -23.812 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.451 -5.425 -23.137 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.825 -5.929 -24.938 1.00 0.00 N ATOM 0 H ARG A 72 -8.811 -0.285 -23.956 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.208 -0.909 -23.069 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.138 -2.787 -24.480 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.905 -3.206 -23.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.129 -1.878 -21.562 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.373 -1.497 -22.737 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.773 -4.126 -21.390 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.323 -3.364 -21.686 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.366 -4.256 -23.897 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.276 -4.901 -22.279 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.756 -6.088 -23.481 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.695 -5.790 -25.452 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.130 -6.592 -25.282 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.831 -1.233 -26.294 1.00 0.00 N ATOM 1131 CA GLU A 73 -6.214 -1.365 -27.603 1.00 0.00 C ATOM 1132 C GLU A 73 -5.177 -0.261 -27.815 1.00 0.00 C ATOM 1133 O GLU A 73 -4.071 -0.524 -28.284 1.00 0.00 O ATOM 1134 CB GLU A 73 -7.269 -1.348 -28.711 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.431 -2.735 -29.335 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.589 -2.752 -30.337 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.708 -2.386 -29.917 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.328 -3.133 -31.498 1.00 0.00 O ATOM 0 H GLU A 73 -7.843 -1.103 -26.311 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.704 -2.328 -27.647 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.224 -1.015 -28.304 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.982 -0.631 -29.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.507 -3.023 -29.836 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.612 -3.472 -28.552 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.572 0.953 -27.459 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.690 2.099 -27.605 1.00 0.00 C ATOM 1147 C LEU A 74 -3.412 1.860 -26.798 1.00 0.00 C ATOM 1148 O LEU A 74 -2.314 2.165 -27.263 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.421 3.389 -27.227 1.00 0.00 C ATOM 1150 CG LEU A 74 -5.085 3.974 -25.854 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.862 4.890 -25.933 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.296 4.688 -25.250 1.00 0.00 C ATOM 0 H LEU A 74 -6.490 1.168 -27.070 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.393 2.220 -28.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.202 4.142 -27.984 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.494 3.200 -27.266 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.830 3.151 -25.186 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.645 5.293 -24.944 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.004 4.321 -26.290 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.065 5.710 -26.622 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.029 5.094 -24.274 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.606 5.499 -25.909 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.117 3.980 -25.136 1.00 0.00 H new ATOM 1164 N SER A 75 -3.596 1.315 -25.604 1.00 0.00 N ATOM 1165 CA SER A 75 -2.471 1.031 -24.730 1.00 0.00 C ATOM 1166 C SER A 75 -1.466 0.128 -25.447 1.00 0.00 C ATOM 1167 O SER A 75 -0.263 0.213 -25.201 1.00 0.00 O ATOM 1168 CB SER A 75 -2.938 0.376 -23.429 1.00 0.00 C ATOM 1169 OG SER A 75 -2.135 0.765 -22.317 1.00 0.00 O ATOM 0 H SER A 75 -4.507 1.063 -25.222 1.00 0.00 H new ATOM 0 HA SER A 75 -1.987 1.974 -24.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.976 0.647 -23.239 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.907 -0.708 -23.537 1.00 0.00 H new ATOM 0 HG SER A 75 -1.329 0.209 -22.285 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.995 -0.717 -26.320 1.00 0.00 N ATOM 1176 CA LYS A 76 -1.158 -1.635 -27.076 1.00 0.00 C ATOM 1177 C LYS A 76 -0.166 -0.834 -27.921 1.00 0.00 C ATOM 1178 O LYS A 76 0.817 -1.383 -28.418 1.00 0.00 O ATOM 1179 CB LYS A 76 -2.021 -2.600 -27.889 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.031 -2.212 -29.369 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.028 -3.067 -30.152 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.843 -2.882 -31.661 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.923 -3.570 -32.403 1.00 0.00 N ATOM 0 H LYS A 76 -2.993 -0.786 -26.521 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.571 -2.260 -26.403 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.641 -3.615 -27.778 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.040 -2.597 -27.502 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.291 -1.158 -29.471 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.032 -2.336 -29.788 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.895 -4.117 -29.892 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.045 -2.795 -29.871 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.845 -1.820 -31.906 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.874 -3.278 -31.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.783 -3.435 -33.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.903 -4.586 -32.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.843 -3.173 -32.124 1.00 0.00 H new ATOM 1197 N THR A 77 -0.456 0.451 -28.059 1.00 0.00 N ATOM 1198 CA THR A 77 0.398 1.332 -28.836 1.00 0.00 C ATOM 1199 C THR A 77 1.467 1.964 -27.943 1.00 0.00 C ATOM 1200 O THR A 77 2.504 2.414 -28.430 1.00 0.00 O ATOM 1201 CB THR A 77 -0.494 2.359 -29.536 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.302 2.829 -30.621 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.731 3.607 -28.681 1.00 0.00 C ATOM 0 H THR A 77 -1.271 0.903 -27.645 1.00 0.00 H new ATOM 0 HA THR A 77 0.944 0.779 -29.601 1.00 0.00 H new ATOM 0 HB THR A 77 -1.451 1.900 -29.783 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.201 3.499 -31.130 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.370 4.304 -29.224 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.216 3.322 -27.747 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.224 4.085 -28.462 1.00 0.00 H new ATOM 1211 N PHE A 78 1.180 1.977 -26.650 1.00 0.00 N ATOM 1212 CA PHE A 78 2.103 2.546 -25.682 1.00 0.00 C ATOM 1213 C PHE A 78 2.905 1.449 -24.980 1.00 0.00 C ATOM 1214 O PHE A 78 3.827 1.740 -24.219 1.00 0.00 O ATOM 1215 CB PHE A 78 1.262 3.290 -24.644 1.00 0.00 C ATOM 1216 CG PHE A 78 0.743 4.648 -25.120 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.509 5.761 -24.969 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.485 4.742 -25.698 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.027 7.022 -25.411 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.967 6.003 -26.141 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.200 7.116 -25.988 1.00 0.00 C ATOM 0 H PHE A 78 0.320 1.602 -26.249 1.00 0.00 H new ATOM 0 HA PHE A 78 2.807 3.209 -26.185 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.413 2.666 -24.365 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.860 3.436 -23.744 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.485 5.686 -24.513 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.093 3.858 -25.820 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.635 7.906 -25.289 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.942 6.078 -26.599 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.566 8.075 -26.325 1.00 0.00 H new ATOM 1231 N ILE A 79 2.526 0.211 -25.260 1.00 0.00 N ATOM 1232 CA ILE A 79 3.199 -0.930 -24.664 1.00 0.00 C ATOM 1233 C ILE A 79 4.693 -0.864 -24.989 1.00 0.00 C ATOM 1234 O ILE A 79 5.078 -0.845 -26.157 1.00 0.00 O ATOM 1235 CB ILE A 79 2.532 -2.237 -25.106 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.369 -2.597 -24.180 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.557 -3.368 -25.205 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.184 -4.113 -24.096 1.00 0.00 C ATOM 0 H ILE A 79 1.761 -0.027 -25.892 1.00 0.00 H new ATOM 0 HA ILE A 79 3.106 -0.901 -23.578 1.00 0.00 H new ATOM 0 HB ILE A 79 2.117 -2.090 -26.103 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.554 -2.194 -23.184 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.452 -2.135 -24.546 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.058 -4.284 -25.520 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.323 -3.102 -25.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.021 -3.524 -24.231 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.351 -4.342 -23.431 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.975 -4.510 -25.090 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.094 -4.570 -23.707 1.00 0.00 H new ATOM 1250 N ILE A 80 5.494 -0.830 -23.935 1.00 0.00 N ATOM 1251 CA ILE A 80 6.937 -0.765 -24.093 1.00 0.00 C ATOM 1252 C ILE A 80 7.552 -2.105 -23.685 1.00 0.00 C ATOM 1253 O ILE A 80 8.637 -2.460 -24.142 1.00 0.00 O ATOM 1254 CB ILE A 80 7.507 0.432 -23.328 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.715 0.688 -22.044 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.571 1.672 -24.220 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.963 -0.417 -21.016 1.00 0.00 C ATOM 0 H ILE A 80 5.171 -0.846 -22.968 1.00 0.00 H new ATOM 0 HA ILE A 80 7.198 -0.599 -25.138 1.00 0.00 H new ATOM 0 HB ILE A 80 8.529 0.195 -23.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.001 1.652 -21.623 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.651 0.743 -22.274 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.980 2.508 -23.652 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.211 1.470 -25.079 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.568 1.924 -24.566 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.388 -0.210 -20.113 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.654 -1.376 -21.431 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.024 -0.453 -20.770 1.00 0.00 H new ATOM 1269 N GLY A 81 6.831 -2.813 -22.827 1.00 0.00 N ATOM 1270 CA GLY A 81 7.291 -4.107 -22.351 1.00 0.00 C ATOM 1271 C GLY A 81 6.175 -4.849 -21.615 1.00 0.00 C ATOM 1272 O GLY A 81 4.994 -4.597 -21.853 1.00 0.00 O ATOM 0 H GLY A 81 5.932 -2.515 -22.449 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.637 -4.706 -23.193 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.143 -3.971 -21.685 1.00 0.00 H new ATOM 1276 N GLU A 82 6.588 -5.750 -20.736 1.00 0.00 N ATOM 1277 CA GLU A 82 5.636 -6.532 -19.964 1.00 0.00 C ATOM 1278 C GLU A 82 6.256 -6.958 -18.632 1.00 0.00 C ATOM 1279 O GLU A 82 7.477 -6.949 -18.481 1.00 0.00 O ATOM 1280 CB GLU A 82 5.154 -7.748 -20.757 1.00 0.00 C ATOM 1281 CG GLU A 82 5.133 -7.451 -22.258 1.00 0.00 C ATOM 1282 CD GLU A 82 4.751 -8.697 -23.059 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.323 -9.766 -22.753 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.894 -8.555 -23.958 1.00 0.00 O ATOM 0 H GLU A 82 7.568 -5.956 -20.541 1.00 0.00 H new ATOM 0 HA GLU A 82 4.767 -5.907 -19.756 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.808 -8.598 -20.560 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.155 -8.031 -20.425 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.423 -6.650 -22.464 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.114 -7.097 -22.576 1.00 0.00 H new ATOM 1291 N LEU A 83 5.387 -7.321 -17.699 1.00 0.00 N ATOM 1292 CA LEU A 83 5.835 -7.749 -16.385 1.00 0.00 C ATOM 1293 C LEU A 83 6.550 -9.095 -16.509 1.00 0.00 C ATOM 1294 O LEU A 83 5.958 -10.079 -16.950 1.00 0.00 O ATOM 1295 CB LEU A 83 4.665 -7.762 -15.399 1.00 0.00 C ATOM 1296 CG LEU A 83 5.035 -7.680 -13.917 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.496 -8.079 -13.695 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.728 -6.293 -13.350 1.00 0.00 C ATOM 0 H LEU A 83 4.375 -7.327 -17.828 1.00 0.00 H new ATOM 0 HA LEU A 83 6.557 -7.041 -15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.007 -6.926 -15.636 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.091 -8.674 -15.560 1.00 0.00 H new ATOM 0 HG LEU A 83 4.418 -8.394 -13.371 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.734 -8.012 -12.633 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.650 -9.102 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.146 -7.407 -14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.001 -6.263 -12.295 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.301 -5.542 -13.895 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.663 -6.084 -13.456 1.00 0.00 H new ATOM 1310 N HIS A 84 7.814 -9.096 -16.109 1.00 0.00 N ATOM 1311 CA HIS A 84 8.616 -10.307 -16.169 1.00 0.00 C ATOM 1312 C HIS A 84 8.072 -11.334 -15.173 1.00 0.00 C ATOM 1313 O HIS A 84 7.059 -11.092 -14.519 1.00 0.00 O ATOM 1314 CB HIS A 84 10.096 -9.989 -15.944 1.00 0.00 C ATOM 1315 CG HIS A 84 10.997 -10.430 -17.071 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.377 -10.356 -17.001 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.702 -10.953 -18.297 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.880 -10.816 -18.138 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.840 -11.185 -18.939 1.00 0.00 N ATOM 0 H HIS A 84 8.302 -8.279 -15.743 1.00 0.00 H new ATOM 0 HA HIS A 84 8.545 -10.746 -17.164 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.209 -8.914 -15.802 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.424 -10.468 -15.022 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.711 -11.145 -18.680 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.929 -10.886 -18.386 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.923 -11.575 -19.878 1.00 0.00 H new ATOM 1328 N PRO A 85 8.789 -12.486 -15.087 1.00 0.00 N ATOM 1329 CA PRO A 85 8.389 -13.550 -14.182 1.00 0.00 C ATOM 1330 C PRO A 85 8.726 -13.193 -12.733 1.00 0.00 C ATOM 1331 O PRO A 85 8.635 -14.038 -11.844 1.00 0.00 O ATOM 1332 CB PRO A 85 9.127 -14.784 -14.676 1.00 0.00 C ATOM 1333 CG PRO A 85 10.263 -14.269 -15.544 1.00 0.00 C ATOM 1334 CD PRO A 85 9.995 -12.805 -15.847 1.00 0.00 C ATOM 0 HA PRO A 85 7.312 -13.719 -14.181 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.509 -15.371 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.463 -15.434 -15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.217 -14.383 -15.030 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.328 -14.844 -16.468 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.833 -12.177 -15.543 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.846 -12.642 -16.914 1.00 0.00 H new ATOM 1342 N ASP A 86 9.105 -11.938 -12.540 1.00 0.00 N ATOM 1343 CA ASP A 86 9.455 -11.459 -11.213 1.00 0.00 C ATOM 1344 C ASP A 86 8.176 -11.207 -10.413 1.00 0.00 C ATOM 1345 O ASP A 86 8.195 -11.230 -9.183 1.00 0.00 O ATOM 1346 CB ASP A 86 10.230 -10.142 -11.290 1.00 0.00 C ATOM 1347 CG ASP A 86 9.875 -9.117 -10.211 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.258 -9.364 -9.047 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.226 -8.111 -10.574 1.00 0.00 O ATOM 0 H ASP A 86 9.177 -11.239 -13.279 1.00 0.00 H new ATOM 0 HA ASP A 86 10.076 -12.216 -10.734 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.296 -10.361 -11.225 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.056 -9.693 -12.268 1.00 0.00 H new ATOM 1354 N ASP A 87 7.095 -10.973 -11.143 1.00 0.00 N ATOM 1355 CA ASP A 87 5.809 -10.720 -10.515 1.00 0.00 C ATOM 1356 C ASP A 87 4.764 -10.447 -11.599 1.00 0.00 C ATOM 1357 O ASP A 87 4.061 -9.439 -11.549 1.00 0.00 O ATOM 1358 CB ASP A 87 5.875 -9.492 -9.603 1.00 0.00 C ATOM 1359 CG ASP A 87 6.309 -9.779 -8.165 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.578 -10.538 -7.492 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.362 -9.233 -7.771 1.00 0.00 O ATOM 0 H ASP A 87 7.083 -10.953 -12.163 1.00 0.00 H new ATOM 0 HA ASP A 87 5.543 -11.596 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.567 -8.771 -10.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.893 -9.019 -9.583 1.00 0.00 H new ATOM 1366 N ARG A 88 4.693 -11.364 -12.552 1.00 0.00 N ATOM 1367 CA ARG A 88 3.745 -11.237 -13.646 1.00 0.00 C ATOM 1368 C ARG A 88 2.446 -11.971 -13.310 1.00 0.00 C ATOM 1369 O ARG A 88 1.361 -11.402 -13.416 1.00 0.00 O ATOM 1370 CB ARG A 88 4.323 -11.801 -14.945 1.00 0.00 C ATOM 1371 CG ARG A 88 4.716 -13.270 -14.776 1.00 0.00 C ATOM 1372 CD ARG A 88 5.595 -13.739 -15.939 1.00 0.00 C ATOM 1373 NE ARG A 88 5.781 -15.205 -15.872 1.00 0.00 N ATOM 1374 CZ ARG A 88 6.217 -15.955 -16.894 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.511 -15.380 -18.068 1.00 0.00 N ATOM 1376 NH2 ARG A 88 6.355 -17.280 -16.743 1.00 0.00 N ATOM 0 H ARG A 88 5.277 -12.199 -12.589 1.00 0.00 H new ATOM 0 HA ARG A 88 3.540 -10.176 -13.786 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.589 -11.707 -15.745 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.195 -11.219 -15.242 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.251 -13.401 -13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.819 -13.887 -14.722 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.134 -13.465 -16.888 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.563 -13.239 -15.899 1.00 0.00 H new ATOM 0 HE ARG A 88 5.564 -15.675 -14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.403 -14.372 -18.184 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.843 -15.950 -18.846 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.128 -17.718 -15.850 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.687 -17.850 -17.521 1.00 0.00 H new ATOM 1390 N SER A 89 2.600 -13.226 -12.913 1.00 0.00 N ATOM 1391 CA SER A 89 1.452 -14.046 -12.563 1.00 0.00 C ATOM 1392 C SER A 89 0.873 -13.590 -11.222 1.00 0.00 C ATOM 1393 O SER A 89 -0.151 -14.105 -10.777 1.00 0.00 O ATOM 1394 CB SER A 89 1.831 -15.527 -12.501 1.00 0.00 C ATOM 1395 OG SER A 89 0.687 -16.365 -12.368 1.00 0.00 O ATOM 0 H SER A 89 3.502 -13.695 -12.826 1.00 0.00 H new ATOM 0 HA SER A 89 0.696 -13.925 -13.339 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.377 -15.800 -13.404 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.503 -15.694 -11.659 1.00 0.00 H new ATOM 0 HG SER A 89 0.027 -15.928 -11.791 1.00 0.00 H new ATOM 1401 N LYS A 90 1.555 -12.629 -10.616 1.00 0.00 N ATOM 1402 CA LYS A 90 1.123 -12.097 -9.335 1.00 0.00 C ATOM 1403 C LYS A 90 0.262 -10.854 -9.568 1.00 0.00 C ATOM 1404 O LYS A 90 -0.286 -10.288 -8.623 1.00 0.00 O ATOM 1405 CB LYS A 90 2.325 -11.850 -8.422 1.00 0.00 C ATOM 1406 CG LYS A 90 2.486 -12.985 -7.409 1.00 0.00 C ATOM 1407 CD LYS A 90 1.653 -12.722 -6.152 1.00 0.00 C ATOM 1408 CE LYS A 90 1.210 -14.034 -5.502 1.00 0.00 C ATOM 1409 NZ LYS A 90 0.120 -13.789 -4.532 1.00 0.00 N ATOM 0 H LYS A 90 2.404 -12.205 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 90 0.501 -12.824 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.230 -11.762 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.199 -10.904 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.179 -13.928 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.537 -13.089 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.237 -12.139 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.777 -12.126 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.872 -14.731 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.056 -14.501 -4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.169 -14.690 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.454 -13.141 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.692 -13.364 -5.023 1.00 0.00 H new ATOM 1423 N ILE A 91 0.172 -10.465 -10.831 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.612 -9.298 -11.200 1.00 0.00 C ATOM 1425 C ILE A 91 -1.514 -9.650 -12.387 1.00 0.00 C ATOM 1426 O ILE A 91 -2.688 -9.283 -12.408 1.00 0.00 O ATOM 1427 CB ILE A 91 0.301 -8.098 -11.456 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.745 -8.049 -12.919 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.491 -8.100 -10.494 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.564 -6.788 -13.201 1.00 0.00 C ATOM 0 H ILE A 91 0.629 -10.937 -11.612 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.265 -9.002 -10.379 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.267 -7.188 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.339 -8.933 -13.152 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.130 -8.072 -13.569 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.125 -7.237 -10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.129 -8.051 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.069 -9.014 -10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.867 -6.778 -14.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.959 -5.906 -12.990 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.450 -6.780 -12.566 1.00 0.00 H new ATOM 1442 N THR A 92 -0.930 -10.354 -13.343 1.00 0.00 N ATOM 1443 CA THR A 92 -1.666 -10.760 -14.529 1.00 0.00 C ATOM 1444 C THR A 92 -3.147 -10.949 -14.200 1.00 0.00 C ATOM 1445 O THR A 92 -4.015 -10.468 -14.925 1.00 0.00 O ATOM 1446 CB THR A 92 -1.002 -12.019 -15.090 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.502 -12.111 -16.422 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.505 -13.296 -14.415 1.00 0.00 C ATOM 0 H THR A 92 0.045 -10.654 -13.322 1.00 0.00 H new ATOM 0 HA THR A 92 -1.633 -9.988 -15.298 1.00 0.00 H new ATOM 0 HB THR A 92 0.079 -11.945 -14.967 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.121 -12.900 -16.861 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.002 -14.160 -14.850 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.291 -13.251 -13.347 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.581 -13.388 -14.566 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.391 -11.652 -13.103 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.753 -11.912 -12.667 1.00 0.00 C ATOM 1458 C LYS A 93 -5.200 -10.800 -11.716 1.00 0.00 C ATOM 1459 O LYS A 93 -4.538 -10.535 -10.713 1.00 0.00 O ATOM 1460 CB LYS A 93 -4.866 -13.315 -12.071 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.192 -13.489 -11.326 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.970 -14.692 -11.863 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.098 -15.085 -10.907 1.00 0.00 C ATOM 1464 NZ LYS A 93 -7.735 -16.307 -10.153 1.00 0.00 N ATOM 0 H LYS A 93 -2.668 -12.050 -12.503 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.435 -11.897 -13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.790 -14.058 -12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.035 -13.492 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.000 -13.622 -10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.793 -12.586 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.385 -14.454 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.294 -15.536 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.296 -14.268 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.016 -15.256 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.511 -16.561 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.568 -17.089 -10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.871 -16.131 -9.602 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.349 -10.164 -12.072 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.891 -9.088 -11.261 1.00 0.00 C ATOM 1480 C PRO A 94 -7.547 -9.635 -9.991 1.00 0.00 C ATOM 1481 O PRO A 94 -7.515 -10.839 -9.742 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.869 -8.365 -12.170 1.00 0.00 C ATOM 1483 CG PRO A 94 -8.185 -9.334 -13.298 1.00 0.00 C ATOM 1484 CD PRO A 94 -7.157 -10.453 -13.253 1.00 0.00 C ATOM 0 HA PRO A 94 -6.122 -8.404 -10.901 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.773 -8.088 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.434 -7.444 -12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.192 -9.736 -13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.152 -8.823 -14.260 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.636 -11.429 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.547 -10.468 -14.156 1.00 0.00 H new ATOM 1492 N SER A 95 -8.126 -8.726 -9.224 1.00 0.00 N ATOM 1493 CA SER A 95 -8.789 -9.101 -7.986 1.00 0.00 C ATOM 1494 C SER A 95 -10.251 -8.652 -8.018 1.00 0.00 C ATOM 1495 O SER A 95 -10.699 -8.052 -8.994 1.00 0.00 O ATOM 1496 CB SER A 95 -8.075 -8.500 -6.774 1.00 0.00 C ATOM 1497 OG SER A 95 -8.503 -9.097 -5.552 1.00 0.00 O ATOM 0 H SER A 95 -8.151 -7.728 -9.435 1.00 0.00 H new ATOM 0 HA SER A 95 -8.751 -10.186 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.999 -8.632 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 95 -8.262 -7.427 -6.738 1.00 0.00 H new ATOM 0 HG SER A 95 -8.023 -8.688 -4.802 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.956 -8.961 -6.940 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.358 -8.597 -6.832 1.00 0.00 C ATOM 1505 C GLU A 96 -12.591 -7.745 -5.581 1.00 0.00 C ATOM 1506 O GLU A 96 -11.664 -7.504 -4.810 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.248 -9.840 -6.821 1.00 0.00 C ATOM 1508 CG GLU A 96 -14.538 -9.597 -7.608 1.00 0.00 C ATOM 1509 CD GLU A 96 -15.762 -10.051 -6.808 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -15.773 -11.237 -6.415 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -16.656 -9.203 -6.611 1.00 0.00 O ATOM 0 H GLU A 96 -10.582 -9.460 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.627 -8.005 -7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.708 -10.683 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.490 -10.109 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.628 -8.537 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.498 -10.136 -8.555 1.00 0.00 H new ATOM 1518 N SER A 97 -13.834 -7.315 -5.420 1.00 0.00 N ATOM 1519 CA SER A 97 -14.200 -6.495 -4.277 1.00 0.00 C ATOM 1520 C SER A 97 -15.639 -6.800 -3.856 1.00 0.00 C ATOM 1521 O SER A 97 -16.359 -7.508 -4.558 1.00 0.00 O ATOM 1522 CB SER A 97 -14.042 -5.007 -4.592 1.00 0.00 C ATOM 1523 OG SER A 97 -13.211 -4.346 -3.642 1.00 0.00 O ATOM 0 H SER A 97 -14.600 -7.519 -6.062 1.00 0.00 H new ATOM 0 HA SER A 97 -13.528 -6.736 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.617 -4.891 -5.589 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.024 -4.533 -4.607 1.00 0.00 H new ATOM 0 HG SER A 97 -13.133 -3.398 -3.879 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.016 -6.248 -2.712 1.00 0.00 N ATOM 1530 CA ILE A 98 -17.356 -6.450 -2.189 1.00 0.00 C ATOM 1531 C ILE A 98 -18.099 -5.113 -2.167 1.00 0.00 C ATOM 1532 O ILE A 98 -17.484 -4.057 -2.308 1.00 0.00 O ATOM 1533 CB ILE A 98 -17.301 -7.146 -0.828 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -18.666 -7.727 -0.453 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.765 -6.200 0.249 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.515 -8.888 0.532 1.00 0.00 C ATOM 0 H ILE A 98 -15.416 -5.661 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.921 -7.117 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 98 -16.605 -7.982 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -19.288 -6.949 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -19.178 -8.072 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.736 -6.719 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.759 -5.876 -0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.418 -5.330 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.500 -9.283 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.913 -9.675 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -18.025 -8.534 1.439 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.409 -5.203 -1.990 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.240 -4.012 -1.948 1.00 0.00 C ATOM 1550 C ILE A 99 -21.000 -3.973 -0.621 1.00 0.00 C ATOM 1551 O ILE A 99 -21.100 -4.984 0.072 1.00 0.00 O ATOM 1552 CB ILE A 99 -21.148 -3.949 -3.178 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.385 -2.500 -3.611 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -22.460 -4.695 -2.930 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -21.284 -2.358 -5.131 1.00 0.00 C ATOM 0 H ILE A 99 -19.915 -6.081 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 99 -19.623 -3.115 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 99 -20.642 -4.453 -4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.370 -2.173 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -20.653 -1.849 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -23.087 -4.635 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -22.247 -5.740 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.982 -4.242 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.456 -1.319 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -20.290 -2.662 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.033 -2.991 -5.606 1.00 0.00 H new ATOM 1567 N THR A 100 -21.516 -2.794 -0.304 1.00 0.00 N ATOM 1568 CA THR A 100 -22.264 -2.610 0.928 1.00 0.00 C ATOM 1569 C THR A 100 -23.649 -2.032 0.629 1.00 0.00 C ATOM 1570 O THR A 100 -23.948 -1.685 -0.512 1.00 0.00 O ATOM 1571 CB THR A 100 -21.428 -1.732 1.861 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.140 -1.760 3.095 1.00 0.00 O ATOM 1573 CG2 THR A 100 -21.447 -0.258 1.452 1.00 0.00 C ATOM 0 H THR A 100 -21.431 -1.956 -0.880 1.00 0.00 H new ATOM 0 HA THR A 100 -22.444 -3.562 1.428 1.00 0.00 H new ATOM 0 HB THR A 100 -20.399 -2.092 1.872 1.00 0.00 H new ATOM 0 HG1 THR A 100 -21.666 -1.217 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 100 -20.838 0.320 2.147 1.00 0.00 H new ATOM 0 HG22 THR A 100 -21.044 -0.155 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 100 -22.472 0.112 1.473 1.00 0.00 H new ATOM 1581 N THR A 101 -24.457 -1.948 1.676 1.00 0.00 N ATOM 1582 CA THR A 101 -25.803 -1.418 1.540 1.00 0.00 C ATOM 1583 C THR A 101 -26.176 -0.588 2.771 1.00 0.00 C ATOM 1584 O THR A 101 -25.963 -1.019 3.902 1.00 0.00 O ATOM 1585 CB THR A 101 -26.751 -2.593 1.291 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.457 -2.998 -0.044 1.00 0.00 O ATOM 1587 CG2 THR A 101 -28.217 -2.162 1.234 1.00 0.00 C ATOM 0 H THR A 101 -24.206 -2.238 2.621 1.00 0.00 H new ATOM 0 HA THR A 101 -25.876 -0.737 0.692 1.00 0.00 H new ATOM 0 HB THR A 101 -26.622 -3.336 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.026 -3.758 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.846 -3.034 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 101 -28.498 -1.700 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.354 -1.444 0.425 1.00 0.00 H new ATOM 1595 N ILE A 102 -26.726 0.589 2.506 1.00 0.00 N ATOM 1596 CA ILE A 102 -27.131 1.484 3.578 1.00 0.00 C ATOM 1597 C ILE A 102 -28.499 2.083 3.246 1.00 0.00 C ATOM 1598 O ILE A 102 -28.801 2.342 2.082 1.00 0.00 O ATOM 1599 CB ILE A 102 -26.047 2.530 3.840 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -24.748 1.870 4.307 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -26.537 3.592 4.825 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -24.899 1.303 5.720 1.00 0.00 C ATOM 0 H ILE A 102 -26.900 0.943 1.566 1.00 0.00 H new ATOM 0 HA ILE A 102 -27.242 0.935 4.513 1.00 0.00 H new ATOM 0 HB ILE A 102 -25.829 3.038 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -24.474 1.071 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -23.938 2.599 4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -25.747 4.324 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -27.414 4.093 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -26.800 3.118 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -23.962 0.839 6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -25.150 2.108 6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -25.693 0.557 5.730 1.00 0.00 H new ATOM 1614 N ASP A 103 -29.289 2.287 4.290 1.00 0.00 N ATOM 1615 CA ASP A 103 -30.616 2.852 4.125 1.00 0.00 C ATOM 1616 C ASP A 103 -30.959 3.708 5.346 1.00 0.00 C ATOM 1617 O ASP A 103 -31.519 3.209 6.321 1.00 0.00 O ATOM 1618 CB ASP A 103 -31.673 1.751 4.008 1.00 0.00 C ATOM 1619 CG ASP A 103 -32.985 2.181 3.351 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -33.438 3.302 3.670 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -33.507 1.381 2.546 1.00 0.00 O ATOM 0 H ASP A 103 -29.035 2.071 5.254 1.00 0.00 H new ATOM 0 HA ASP A 103 -30.615 3.451 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -31.252 0.924 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.892 1.371 5.006 1.00 0.00 H new ATOM 1626 N SER A 104 -30.607 4.981 5.253 1.00 0.00 N ATOM 1627 CA SER A 104 -30.869 5.912 6.338 1.00 0.00 C ATOM 1628 C SER A 104 -30.584 5.240 7.683 1.00 0.00 C ATOM 1629 O SER A 104 -29.635 4.468 7.807 1.00 0.00 O ATOM 1630 CB SER A 104 -32.312 6.417 6.293 1.00 0.00 C ATOM 1631 OG SER A 104 -33.221 5.495 6.887 1.00 0.00 O ATOM 0 H SER A 104 -30.142 5.391 4.443 1.00 0.00 H new ATOM 0 HA SER A 104 -30.208 6.771 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 104 -32.377 7.374 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 104 -32.601 6.595 5.257 1.00 0.00 H new ATOM 0 HG SER A 104 -32.879 4.583 6.779 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.048 5.375 -17.731 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.657 7.241 -18.820 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.052 4.860 -20.982 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.555 3.321 -16.621 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.896 6.043 -14.487 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.736 5.930 -19.514 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.877 6.624 -19.791 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.107 6.673 -21.247 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.050 6.066 -21.873 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.193 5.618 -20.797 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.816 5.889 -23.372 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.337 7.250 -21.919 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.564 6.384 -21.677 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.224 4.913 -21.552 1.00 0.00 C HETATM 1652 O1A HEM A 105 -13.021 4.165 -20.958 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.140 4.500 -22.003 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.606 4.349 -18.599 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.311 4.254 -19.970 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.162 3.395 -20.203 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.784 2.910 -18.965 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.659 3.532 -17.999 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.591 3.026 -21.573 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.920 1.842 -18.630 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.645 1.564 -19.068 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.369 4.801 -15.947 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.343 3.904 -15.674 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.177 3.671 -14.223 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.131 4.446 -13.630 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.841 5.165 -14.696 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.144 2.698 -13.600 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.405 4.571 -12.260 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.390 4.666 -11.320 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.505 6.399 -16.823 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.685 6.618 -15.453 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.767 7.535 -15.207 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.220 7.900 -16.419 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.482 7.156 -17.432 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.330 7.968 -13.861 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.236 8.978 -16.704 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.623 8.386 -16.777 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.384 8.868 -17.988 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.724 9.210 -18.991 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.638 8.889 -17.947 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.776 5.822 -23.885 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.248 4.975 -23.546 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.258 6.743 -23.756 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.518 2.855 -21.486 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.772 3.841 -22.274 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.075 2.120 -21.937 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.845 3.065 -12.618 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.268 2.634 -14.246 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.591 1.709 -13.497 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.208 7.161 -13.139 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.389 8.202 -13.968 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.797 8.852 -13.511 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.121 0.683 -18.697 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.159 2.225 -19.786 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.634 4.762 -10.262 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.348 4.644 -11.639 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.269 6.522 -22.497 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.065 6.716 -20.767 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.159 7.339 -22.991 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.521 8.256 -21.542 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.176 8.647 -15.875 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.551 7.299 -16.804 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.995 9.474 -17.644 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.198 9.738 -15.923 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.480 7.846 -19.170 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.706 4.726 -21.996 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.788 2.641 -16.279 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.119 6.300 -13.462 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.327 1.128 -17.914 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.442 4.594 -11.926 1.00 0.00 H new