USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=28 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 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -34:sc= -1.79 USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -5.19! (180deg=-3.62!) USER MOD Set 2.1: A 53 GLN : amide:sc= -7.38! C(o=-21!,f=-30!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -13.7! (180deg=-13.3!) USER MOD Set 3.1: A 30 HIS : no HD1:sc= -5.02! C(o=-4.6!,f=-12!) USER MOD Set 3.2: A 34 TYR OH : rot 74:sc= 0.387 USER MOD Set 4.1: A 25 THR OG1 : rot -67:sc= 1.88 USER MOD Set 4.2: A 37 THR OG1 : rot 9:sc= 1.2 USER MOD Single : A 1 ALA N :NH3+ -172:sc= 0 (180deg=-0.0772) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 62:sc= 0.269 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 165:sc= -0.132 USER MOD Single : A 11 TYR OH : rot -101:sc= 0.0438 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 17 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -4.77! C(o=-4.8!,f=-11!) USER MOD Single : A 20 ASN : amide:sc= -8.87! C(o=-8.9!,f=-4.8!) 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 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -1.28 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 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 43 HIS : no HE2:sc= -24.1! C(o=-24!,f=-33!) USER MOD Single : A 59 THR OG1 : rot 17:sc= 0.628 USER MOD Single : A 61 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.42) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0367 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= -12.1! C(o=-12!,f=-10!) USER MOD Single : A 89 SER OG : rot -38:sc= 0.127 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.21 (180deg=-1.21) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 24.929 7.664 -35.010 1.00 0.00 N ATOM 2 CA ALA A 1 26.146 7.595 -35.800 1.00 0.00 C ATOM 3 C ALA A 1 26.144 6.306 -36.623 1.00 0.00 C ATOM 4 O ALA A 1 26.391 6.334 -37.828 1.00 0.00 O ATOM 5 CB ALA A 1 27.361 7.694 -34.876 1.00 0.00 C ATOM 0 H1 ALA A 1 24.863 8.597 -34.555 1.00 0.00 H new ATOM 0 H2 ALA A 1 24.105 7.521 -35.628 1.00 0.00 H new ATOM 0 H3 ALA A 1 24.947 6.924 -34.280 1.00 0.00 H new ATOM 0 HA ALA A 1 26.197 8.431 -36.498 1.00 0.00 H new ATOM 0 HB1 ALA A 1 28.274 7.642 -35.469 1.00 0.00 H new ATOM 0 HB2 ALA A 1 27.332 8.641 -34.337 1.00 0.00 H new ATOM 0 HB3 ALA A 1 27.344 6.870 -34.163 1.00 0.00 H new ATOM 11 N GLU A 2 25.861 5.207 -35.941 1.00 0.00 N ATOM 12 CA GLU A 2 25.823 3.909 -36.593 1.00 0.00 C ATOM 13 C GLU A 2 24.412 3.320 -36.523 1.00 0.00 C ATOM 14 O GLU A 2 23.764 3.124 -37.549 1.00 0.00 O ATOM 15 CB GLU A 2 26.847 2.954 -35.977 1.00 0.00 C ATOM 16 CG GLU A 2 27.476 2.059 -37.048 1.00 0.00 C ATOM 17 CD GLU A 2 27.955 0.737 -36.443 1.00 0.00 C ATOM 18 OE1 GLU A 2 28.354 0.766 -35.259 1.00 0.00 O ATOM 19 OE2 GLU A 2 27.912 -0.272 -37.180 1.00 0.00 O ATOM 0 H GLU A 2 25.655 5.188 -34.942 1.00 0.00 H new ATOM 0 HA GLU A 2 26.088 4.044 -37.642 1.00 0.00 H new ATOM 0 HB2 GLU A 2 27.626 3.526 -35.473 1.00 0.00 H new ATOM 0 HB3 GLU A 2 26.364 2.337 -35.220 1.00 0.00 H new ATOM 0 HG2 GLU A 2 26.748 1.861 -37.835 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.315 2.576 -37.513 1.00 0.00 H new ATOM 26 N GLU A 3 23.979 3.054 -35.299 1.00 0.00 N ATOM 27 CA GLU A 3 22.657 2.491 -35.080 1.00 0.00 C ATOM 28 C GLU A 3 22.272 2.599 -33.603 1.00 0.00 C ATOM 29 O GLU A 3 23.114 2.900 -32.759 1.00 0.00 O ATOM 30 CB GLU A 3 22.591 1.040 -35.560 1.00 0.00 C ATOM 31 CG GLU A 3 21.308 0.782 -36.352 1.00 0.00 C ATOM 32 CD GLU A 3 21.388 -0.549 -37.104 1.00 0.00 C ATOM 33 OE1 GLU A 3 22.403 -0.746 -37.804 1.00 0.00 O ATOM 34 OE2 GLU A 3 20.429 -1.339 -36.962 1.00 0.00 O ATOM 0 H GLU A 3 24.519 3.218 -34.450 1.00 0.00 H new ATOM 0 HA GLU A 3 21.938 3.064 -35.665 1.00 0.00 H new ATOM 0 HB2 GLU A 3 23.458 0.820 -36.183 1.00 0.00 H new ATOM 0 HB3 GLU A 3 22.635 0.368 -34.703 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.454 0.771 -35.675 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.143 1.595 -37.060 1.00 0.00 H new ATOM 41 N SER A 4 21.000 2.343 -33.335 1.00 0.00 N ATOM 42 CA SER A 4 20.494 2.407 -31.975 1.00 0.00 C ATOM 43 C SER A 4 19.137 1.703 -31.887 1.00 0.00 C ATOM 44 O SER A 4 18.410 1.625 -32.876 1.00 0.00 O ATOM 45 CB SER A 4 20.372 3.857 -31.500 1.00 0.00 C ATOM 46 OG SER A 4 19.410 4.587 -32.255 1.00 0.00 O ATOM 0 H SER A 4 20.305 2.091 -34.037 1.00 0.00 H new ATOM 0 HA SER A 4 21.203 1.898 -31.322 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.092 3.871 -30.447 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.342 4.347 -31.579 1.00 0.00 H new ATOM 0 HG SER A 4 19.361 5.507 -31.920 1.00 0.00 H new ATOM 52 N SER A 5 18.838 1.210 -30.694 1.00 0.00 N ATOM 53 CA SER A 5 17.582 0.517 -30.466 1.00 0.00 C ATOM 54 C SER A 5 17.508 0.036 -29.014 1.00 0.00 C ATOM 55 O SER A 5 18.535 -0.203 -28.383 1.00 0.00 O ATOM 56 CB SER A 5 17.423 -0.664 -31.425 1.00 0.00 C ATOM 57 OG SER A 5 16.440 -0.411 -32.425 1.00 0.00 O ATOM 0 H SER A 5 19.444 1.277 -29.876 1.00 0.00 H new ATOM 0 HA SER A 5 16.766 1.215 -30.654 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.380 -0.875 -31.902 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.145 -1.554 -30.861 1.00 0.00 H new ATOM 0 HG SER A 5 16.719 0.353 -32.972 1.00 0.00 H new ATOM 63 N LYS A 6 16.281 -0.090 -28.529 1.00 0.00 N ATOM 64 CA LYS A 6 16.058 -0.538 -27.166 1.00 0.00 C ATOM 65 C LYS A 6 14.555 -0.700 -26.925 1.00 0.00 C ATOM 66 O LYS A 6 13.753 0.070 -27.450 1.00 0.00 O ATOM 67 CB LYS A 6 16.742 0.406 -26.173 1.00 0.00 C ATOM 68 CG LYS A 6 17.531 -0.380 -25.125 1.00 0.00 C ATOM 69 CD LYS A 6 17.569 0.371 -23.792 1.00 0.00 C ATOM 70 CE LYS A 6 17.502 -0.603 -22.614 1.00 0.00 C ATOM 71 NZ LYS A 6 17.174 0.118 -21.364 1.00 0.00 N ATOM 0 H LYS A 6 15.431 0.111 -29.056 1.00 0.00 H new ATOM 0 HA LYS A 6 16.513 -1.516 -27.007 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.412 1.079 -26.708 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.993 1.026 -25.680 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.076 -1.360 -24.982 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.547 -0.549 -25.481 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.483 0.962 -23.729 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.734 1.069 -23.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.749 -1.367 -22.808 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.457 -1.117 -22.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.132 -0.557 -20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.907 0.831 -21.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.252 0.588 -21.466 1.00 0.00 H new ATOM 85 N ALA A 7 14.220 -1.707 -26.132 1.00 0.00 N ATOM 86 CA ALA A 7 12.829 -1.980 -25.816 1.00 0.00 C ATOM 87 C ALA A 7 12.759 -2.930 -24.620 1.00 0.00 C ATOM 88 O ALA A 7 13.088 -4.110 -24.739 1.00 0.00 O ATOM 89 CB ALA A 7 12.126 -2.547 -27.052 1.00 0.00 C ATOM 0 H ALA A 7 14.889 -2.344 -25.699 1.00 0.00 H new ATOM 0 HA ALA A 7 12.312 -1.062 -25.539 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.082 -2.752 -26.815 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.178 -1.822 -27.865 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.617 -3.471 -27.358 1.00 0.00 H new ATOM 95 N VAL A 8 12.329 -2.382 -23.493 1.00 0.00 N ATOM 96 CA VAL A 8 12.213 -3.166 -22.275 1.00 0.00 C ATOM 97 C VAL A 8 11.723 -4.573 -22.624 1.00 0.00 C ATOM 98 O VAL A 8 12.459 -5.546 -22.471 1.00 0.00 O ATOM 99 CB VAL A 8 11.303 -2.448 -21.276 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.310 -1.534 -21.997 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.574 -3.451 -20.380 1.00 0.00 C ATOM 0 H VAL A 8 12.056 -1.404 -23.398 1.00 0.00 H new ATOM 0 HA VAL A 8 13.185 -3.270 -21.794 1.00 0.00 H new ATOM 0 HB VAL A 8 11.931 -1.824 -20.639 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.675 -1.036 -21.264 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.856 -0.786 -22.572 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.691 -2.128 -22.669 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.934 -2.915 -19.679 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.964 -4.112 -20.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.304 -4.041 -19.826 1.00 0.00 H new ATOM 111 N LYS A 9 10.484 -4.634 -23.090 1.00 0.00 N ATOM 112 CA LYS A 9 9.889 -5.907 -23.462 1.00 0.00 C ATOM 113 C LYS A 9 9.458 -6.653 -22.198 1.00 0.00 C ATOM 114 O LYS A 9 8.294 -7.027 -22.059 1.00 0.00 O ATOM 115 CB LYS A 9 10.842 -6.704 -24.354 1.00 0.00 C ATOM 116 CG LYS A 9 10.105 -7.287 -25.562 1.00 0.00 C ATOM 117 CD LYS A 9 11.074 -8.011 -26.499 1.00 0.00 C ATOM 118 CE LYS A 9 10.330 -8.638 -27.679 1.00 0.00 C ATOM 119 NZ LYS A 9 11.144 -8.550 -28.912 1.00 0.00 N ATOM 0 H LYS A 9 9.877 -3.825 -23.218 1.00 0.00 H new ATOM 0 HA LYS A 9 8.991 -5.748 -24.059 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.652 -6.059 -24.694 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.297 -7.510 -23.778 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.335 -7.980 -25.223 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.598 -6.488 -26.104 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.822 -7.309 -26.868 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.608 -8.785 -25.948 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.103 -9.681 -27.460 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.378 -8.129 -27.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.624 -8.980 -29.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.339 -7.552 -29.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.042 -9.056 -28.772 1.00 0.00 H new ATOM 133 N TYR A 10 10.421 -6.849 -21.308 1.00 0.00 N ATOM 134 CA TYR A 10 10.156 -7.544 -20.061 1.00 0.00 C ATOM 135 C TYR A 10 10.827 -6.833 -18.883 1.00 0.00 C ATOM 136 O TYR A 10 12.052 -6.753 -18.818 1.00 0.00 O ATOM 137 CB TYR A 10 10.770 -8.937 -20.216 1.00 0.00 C ATOM 138 CG TYR A 10 11.553 -9.132 -21.517 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.854 -8.683 -21.614 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.955 -9.755 -22.594 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.590 -8.866 -22.838 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.691 -9.937 -23.818 1.00 0.00 C ATOM 143 CZ TYR A 10 12.973 -9.484 -23.880 1.00 0.00 C ATOM 144 OH TYR A 10 13.666 -9.655 -25.037 1.00 0.00 O ATOM 0 H TYR A 10 11.385 -6.538 -21.427 1.00 0.00 H new ATOM 0 HA TYR A 10 9.085 -7.578 -19.861 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.434 -9.126 -19.373 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.975 -9.681 -20.168 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.321 -8.194 -20.772 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.936 -10.105 -22.519 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.609 -8.520 -22.926 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.236 -10.422 -24.669 1.00 0.00 H new ATOM 0 HH TYR A 10 13.202 -10.307 -25.603 1.00 0.00 H new ATOM 154 N TYR A 11 9.992 -6.333 -17.983 1.00 0.00 N ATOM 155 CA TYR A 11 10.489 -5.631 -16.812 1.00 0.00 C ATOM 156 C TYR A 11 9.916 -6.234 -15.528 1.00 0.00 C ATOM 157 O TYR A 11 9.021 -7.075 -15.579 1.00 0.00 O ATOM 158 CB TYR A 11 9.999 -4.188 -16.947 1.00 0.00 C ATOM 159 CG TYR A 11 11.099 -3.187 -17.307 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.203 -3.604 -18.024 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.989 -1.869 -16.914 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.239 -2.663 -18.362 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.026 -0.928 -17.252 1.00 0.00 C ATOM 164 CZ TYR A 11 13.099 -1.372 -17.960 1.00 0.00 C ATOM 165 OH TYR A 11 14.077 -0.482 -18.279 1.00 0.00 O ATOM 0 H TYR A 11 8.976 -6.400 -18.041 1.00 0.00 H new ATOM 0 HA TYR A 11 11.575 -5.700 -16.754 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.223 -4.149 -17.711 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.538 -3.883 -16.008 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.289 -4.636 -18.331 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.126 -1.543 -16.353 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.108 -2.976 -18.922 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.953 0.106 -16.950 1.00 0.00 H new ATOM 0 HH TYR A 11 14.654 -0.338 -17.500 1.00 0.00 H new ATOM 175 N THR A 12 10.457 -5.779 -14.407 1.00 0.00 N ATOM 176 CA THR A 12 10.012 -6.263 -13.112 1.00 0.00 C ATOM 177 C THR A 12 9.161 -5.202 -12.410 1.00 0.00 C ATOM 178 O THR A 12 9.398 -4.006 -12.568 1.00 0.00 O ATOM 179 CB THR A 12 11.247 -6.677 -12.310 1.00 0.00 C ATOM 180 OG1 THR A 12 11.874 -5.443 -11.974 1.00 0.00 O ATOM 181 CG2 THR A 12 12.287 -7.399 -13.169 1.00 0.00 C ATOM 0 H THR A 12 11.199 -5.080 -14.369 1.00 0.00 H new ATOM 0 HA THR A 12 9.368 -7.136 -13.217 1.00 0.00 H new ATOM 0 HB THR A 12 10.944 -7.322 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.684 -5.619 -11.451 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.143 -7.671 -12.552 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.845 -8.300 -13.594 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.614 -6.741 -13.974 1.00 0.00 H new ATOM 189 N LEU A 13 8.186 -5.679 -11.650 1.00 0.00 N ATOM 190 CA LEU A 13 7.298 -4.788 -10.925 1.00 0.00 C ATOM 191 C LEU A 13 8.117 -3.654 -10.303 1.00 0.00 C ATOM 192 O LEU A 13 7.666 -2.511 -10.257 1.00 0.00 O ATOM 193 CB LEU A 13 6.464 -5.571 -9.908 1.00 0.00 C ATOM 194 CG LEU A 13 5.074 -6.009 -10.376 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.323 -6.736 -9.259 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.280 -4.820 -10.921 1.00 0.00 C ATOM 0 H LEU A 13 7.992 -6.672 -11.521 1.00 0.00 H new ATOM 0 HA LEU A 13 6.581 -4.330 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.024 -6.459 -9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.348 -4.958 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 13 5.197 -6.718 -11.195 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.339 -7.036 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.885 -7.620 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.210 -6.070 -8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.296 -5.158 -11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.165 -4.070 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.812 -4.384 -11.766 1.00 0.00 H new ATOM 208 N GLU A 14 9.306 -4.010 -9.843 1.00 0.00 N ATOM 209 CA GLU A 14 10.193 -3.038 -9.227 1.00 0.00 C ATOM 210 C GLU A 14 10.584 -1.960 -10.240 1.00 0.00 C ATOM 211 O GLU A 14 10.471 -0.768 -9.958 1.00 0.00 O ATOM 212 CB GLU A 14 11.432 -3.717 -8.642 1.00 0.00 C ATOM 213 CG GLU A 14 11.471 -3.574 -7.120 1.00 0.00 C ATOM 214 CD GLU A 14 10.985 -4.853 -6.436 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.013 -5.443 -6.958 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.595 -5.214 -5.406 1.00 0.00 O ATOM 0 H GLU A 14 9.677 -4.959 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 14 9.661 -2.560 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.433 -4.773 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.330 -3.277 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.488 -3.349 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.847 -2.734 -6.814 1.00 0.00 H new ATOM 223 N GLU A 15 11.037 -2.419 -11.397 1.00 0.00 N ATOM 224 CA GLU A 15 11.446 -1.509 -12.455 1.00 0.00 C ATOM 225 C GLU A 15 10.320 -0.520 -12.769 1.00 0.00 C ATOM 226 O GLU A 15 10.575 0.659 -13.006 1.00 0.00 O ATOM 227 CB GLU A 15 11.865 -2.279 -13.708 1.00 0.00 C ATOM 228 CG GLU A 15 13.372 -2.546 -13.708 1.00 0.00 C ATOM 229 CD GLU A 15 13.938 -2.498 -15.128 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.846 -3.542 -15.811 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.448 -1.419 -15.501 1.00 0.00 O ATOM 0 H GLU A 15 11.130 -3.409 -11.626 1.00 0.00 H new ATOM 0 HA GLU A 15 12.312 -0.945 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.324 -3.224 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.593 -1.710 -14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.876 -1.806 -13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.572 -3.522 -13.266 1.00 0.00 H new ATOM 238 N ILE A 16 9.101 -1.039 -12.760 1.00 0.00 N ATOM 239 CA ILE A 16 7.937 -0.217 -13.041 1.00 0.00 C ATOM 240 C ILE A 16 7.645 0.678 -11.836 1.00 0.00 C ATOM 241 O ILE A 16 7.144 1.790 -11.990 1.00 0.00 O ATOM 242 CB ILE A 16 6.752 -1.090 -13.459 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.186 -2.162 -14.462 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.602 -0.236 -13.994 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.745 -3.553 -14.005 1.00 0.00 C ATOM 0 H ILE A 16 8.895 -2.018 -12.563 1.00 0.00 H new ATOM 0 HA ILE A 16 8.133 0.442 -13.887 1.00 0.00 H new ATOM 0 HB ILE A 16 6.382 -1.608 -12.574 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.757 -1.944 -15.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.270 -2.140 -14.577 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.773 -0.882 -14.284 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.270 0.454 -13.219 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.942 0.329 -14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.066 -4.295 -14.736 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.195 -3.778 -13.038 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.659 -3.579 -13.915 1.00 0.00 H new ATOM 257 N GLN A 17 7.975 0.159 -10.662 1.00 0.00 N ATOM 258 CA GLN A 17 7.754 0.897 -9.429 1.00 0.00 C ATOM 259 C GLN A 17 8.674 2.119 -9.370 1.00 0.00 C ATOM 260 O GLN A 17 8.307 3.152 -8.812 1.00 0.00 O ATOM 261 CB GLN A 17 7.957 -0.001 -8.208 1.00 0.00 C ATOM 262 CG GLN A 17 6.942 0.326 -7.111 1.00 0.00 C ATOM 263 CD GLN A 17 7.639 0.544 -5.766 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.804 0.238 -5.585 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.859 1.088 -4.836 1.00 0.00 N ATOM 0 H GLN A 17 8.393 -0.763 -10.538 1.00 0.00 H new ATOM 0 HA GLN A 17 6.720 1.243 -9.416 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.857 -1.046 -8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.968 0.127 -7.822 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.382 1.221 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.221 -0.487 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.890 1.320 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.230 1.273 -3.904 1.00 0.00 H new ATOM 274 N LYS A 18 9.853 1.960 -9.956 1.00 0.00 N ATOM 275 CA LYS A 18 10.828 3.037 -9.977 1.00 0.00 C ATOM 276 C LYS A 18 10.331 4.152 -10.898 1.00 0.00 C ATOM 277 O LYS A 18 10.637 5.323 -10.683 1.00 0.00 O ATOM 278 CB LYS A 18 12.211 2.499 -10.353 1.00 0.00 C ATOM 279 CG LYS A 18 12.627 1.357 -9.425 1.00 0.00 C ATOM 280 CD LYS A 18 13.291 1.894 -8.156 1.00 0.00 C ATOM 281 CE LYS A 18 14.696 2.421 -8.455 1.00 0.00 C ATOM 282 NZ LYS A 18 15.122 3.381 -7.412 1.00 0.00 N ATOM 0 H LYS A 18 10.154 1.102 -10.419 1.00 0.00 H new ATOM 0 HA LYS A 18 10.938 3.471 -8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.200 2.148 -11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.945 3.303 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.752 0.764 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.316 0.693 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.682 2.692 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.347 1.103 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.400 1.590 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.709 2.906 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.077 3.729 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.459 4.182 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.129 2.907 -6.486 1.00 0.00 H new ATOM 296 N HIS A 19 9.571 3.748 -11.906 1.00 0.00 N ATOM 297 CA HIS A 19 9.028 4.699 -12.862 1.00 0.00 C ATOM 298 C HIS A 19 7.607 5.088 -12.447 1.00 0.00 C ATOM 299 O HIS A 19 6.648 4.389 -12.770 1.00 0.00 O ATOM 300 CB HIS A 19 9.096 4.140 -14.284 1.00 0.00 C ATOM 301 CG HIS A 19 10.388 4.452 -15.004 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.427 5.101 -16.225 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.684 4.199 -14.661 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.695 5.226 -16.592 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.471 4.666 -15.622 1.00 0.00 N ATOM 0 H HIS A 19 9.319 2.775 -12.081 1.00 0.00 H new ATOM 0 HA HIS A 19 9.633 5.606 -12.861 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.965 3.059 -14.245 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.263 4.541 -14.862 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.618 5.428 -16.753 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.014 3.703 -13.760 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.050 5.690 -17.500 1.00 0.00 H new ATOM 314 N ASN A 20 7.517 6.204 -11.738 1.00 0.00 N ATOM 315 CA ASN A 20 6.230 6.696 -11.275 1.00 0.00 C ATOM 316 C ASN A 20 6.228 8.224 -11.313 1.00 0.00 C ATOM 317 O ASN A 20 5.478 8.866 -10.580 1.00 0.00 O ATOM 318 CB ASN A 20 5.959 6.258 -9.834 1.00 0.00 C ATOM 319 CG ASN A 20 4.689 6.917 -9.292 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.566 7.208 -8.113 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.756 7.134 -10.213 1.00 0.00 N ATOM 0 H ASN A 20 8.315 6.782 -11.473 1.00 0.00 H new ATOM 0 HA ASN A 20 5.459 6.287 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.857 5.174 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.808 6.522 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.872 7.569 -9.950 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.924 6.866 -11.183 1.00 0.00 H new ATOM 328 N ASN A 21 7.077 8.764 -12.177 1.00 0.00 N ATOM 329 CA ASN A 21 7.184 10.206 -12.321 1.00 0.00 C ATOM 330 C ASN A 21 6.523 10.632 -13.633 1.00 0.00 C ATOM 331 O ASN A 21 6.367 9.823 -14.546 1.00 0.00 O ATOM 332 CB ASN A 21 8.647 10.648 -12.363 1.00 0.00 C ATOM 333 CG ASN A 21 9.275 10.597 -10.968 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.242 11.551 -10.209 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.849 9.433 -10.676 1.00 0.00 N ATOM 0 H ASN A 21 7.697 8.228 -12.784 1.00 0.00 H new ATOM 0 HA ASN A 21 6.693 10.669 -11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.206 10.004 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.713 11.661 -12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.298 9.299 -9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.841 8.675 -11.358 1.00 0.00 H new ATOM 342 N SER A 22 6.151 11.903 -13.686 1.00 0.00 N ATOM 343 CA SER A 22 5.512 12.448 -14.871 1.00 0.00 C ATOM 344 C SER A 22 6.428 12.279 -16.086 1.00 0.00 C ATOM 345 O SER A 22 5.986 12.417 -17.224 1.00 0.00 O ATOM 346 CB SER A 22 5.155 13.922 -14.677 1.00 0.00 C ATOM 347 OG SER A 22 3.956 14.088 -13.924 1.00 0.00 O ATOM 0 H SER A 22 6.280 12.571 -12.926 1.00 0.00 H new ATOM 0 HA SER A 22 4.587 11.898 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.975 14.429 -14.169 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.040 14.398 -15.651 1.00 0.00 H new ATOM 0 HG SER A 22 3.764 15.043 -13.821 1.00 0.00 H new ATOM 353 N LYS A 23 7.688 11.983 -15.799 1.00 0.00 N ATOM 354 CA LYS A 23 8.669 11.793 -16.853 1.00 0.00 C ATOM 355 C LYS A 23 8.945 10.299 -17.026 1.00 0.00 C ATOM 356 O LYS A 23 9.383 9.864 -18.089 1.00 0.00 O ATOM 357 CB LYS A 23 9.924 12.622 -16.571 1.00 0.00 C ATOM 358 CG LYS A 23 10.826 11.920 -15.552 1.00 0.00 C ATOM 359 CD LYS A 23 12.076 12.754 -15.262 1.00 0.00 C ATOM 360 CE LYS A 23 13.187 11.886 -14.667 1.00 0.00 C ATOM 361 NZ LYS A 23 14.116 12.713 -13.863 1.00 0.00 N ATOM 0 H LYS A 23 8.051 11.870 -14.852 1.00 0.00 H new ATOM 0 HA LYS A 23 8.281 12.157 -17.804 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.474 12.784 -17.498 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.639 13.604 -16.194 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.274 11.751 -14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.117 10.941 -15.932 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.428 13.221 -16.182 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.828 13.559 -14.570 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.752 11.106 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.734 11.387 -15.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.864 12.109 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.544 13.442 -14.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.593 13.170 -13.089 1.00 0.00 H new ATOM 375 N SER A 24 8.677 9.554 -15.963 1.00 0.00 N ATOM 376 CA SER A 24 8.889 8.117 -15.985 1.00 0.00 C ATOM 377 C SER A 24 7.666 7.398 -15.414 1.00 0.00 C ATOM 378 O SER A 24 7.760 6.723 -14.389 1.00 0.00 O ATOM 379 CB SER A 24 10.145 7.735 -15.197 1.00 0.00 C ATOM 380 OG SER A 24 10.511 8.741 -14.257 1.00 0.00 O ATOM 0 H SER A 24 8.315 9.919 -15.082 1.00 0.00 H new ATOM 0 HA SER A 24 9.033 7.808 -17.020 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.973 6.795 -14.673 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.970 7.568 -15.889 1.00 0.00 H new ATOM 0 HG SER A 24 11.315 8.460 -13.773 1.00 0.00 H new ATOM 386 N THR A 25 6.546 7.567 -16.101 1.00 0.00 N ATOM 387 CA THR A 25 5.304 6.942 -15.675 1.00 0.00 C ATOM 388 C THR A 25 5.162 5.555 -16.305 1.00 0.00 C ATOM 389 O THR A 25 4.822 5.435 -17.481 1.00 0.00 O ATOM 390 CB THR A 25 4.155 7.889 -16.025 1.00 0.00 C ATOM 391 OG1 THR A 25 4.788 9.155 -16.195 1.00 0.00 O ATOM 392 CG2 THR A 25 3.199 8.108 -14.850 1.00 0.00 C ATOM 0 H THR A 25 6.472 8.128 -16.950 1.00 0.00 H new ATOM 0 HA THR A 25 5.292 6.778 -14.598 1.00 0.00 H new ATOM 0 HB THR A 25 3.602 7.490 -16.875 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.136 9.465 -15.333 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.402 8.788 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.767 7.153 -14.549 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.746 8.539 -14.011 1.00 0.00 H new ATOM 400 N TRP A 26 5.430 4.542 -15.495 1.00 0.00 N ATOM 401 CA TRP A 26 5.336 3.168 -15.958 1.00 0.00 C ATOM 402 C TRP A 26 4.285 2.453 -15.104 1.00 0.00 C ATOM 403 O TRP A 26 4.186 2.697 -13.904 1.00 0.00 O ATOM 404 CB TRP A 26 6.703 2.482 -15.924 1.00 0.00 C ATOM 405 CG TRP A 26 7.659 2.947 -17.025 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.859 4.193 -17.472 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.541 2.112 -17.804 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.803 4.224 -18.478 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.232 2.917 -18.686 1.00 0.00 C ATOM 410 CE3 TRP A 26 8.751 0.722 -17.764 1.00 0.00 C ATOM 411 CZ2 TRP A 26 10.175 2.426 -19.597 1.00 0.00 C ATOM 412 CZ3 TRP A 26 9.697 0.247 -18.679 1.00 0.00 C ATOM 413 CH2 TRP A 26 10.401 1.045 -19.575 1.00 0.00 C ATOM 0 H TRP A 26 5.712 4.645 -14.520 1.00 0.00 H new ATOM 0 HA TRP A 26 5.020 3.133 -17.001 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.166 2.664 -14.954 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.560 1.405 -16.012 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.346 5.064 -17.093 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.127 5.053 -18.977 1.00 0.00 H new ATOM 0 HE3 TRP A 26 8.224 0.072 -17.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.700 3.078 -20.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.895 -0.815 -18.690 1.00 0.00 H new ATOM 0 HH2 TRP A 26 11.118 0.601 -20.250 1.00 0.00 H new ATOM 424 N LEU A 27 3.531 1.582 -15.758 1.00 0.00 N ATOM 425 CA LEU A 27 2.493 0.829 -15.074 1.00 0.00 C ATOM 426 C LEU A 27 2.248 -0.485 -15.820 1.00 0.00 C ATOM 427 O LEU A 27 2.705 -0.657 -16.949 1.00 0.00 O ATOM 428 CB LEU A 27 1.237 1.684 -14.903 1.00 0.00 C ATOM 429 CG LEU A 27 0.224 1.625 -16.048 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.928 1.669 -17.406 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.685 0.400 -15.914 1.00 0.00 C ATOM 0 H LEU A 27 3.618 1.381 -16.754 1.00 0.00 H new ATOM 0 HA LEU A 27 2.812 0.568 -14.065 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.736 1.378 -13.985 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.543 2.721 -14.769 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.413 2.508 -15.986 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.185 1.626 -18.202 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.497 2.595 -17.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.604 0.818 -17.493 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.396 0.382 -16.740 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.080 -0.506 -15.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.228 0.451 -14.970 1.00 0.00 H new ATOM 443 N ILE A 28 1.527 -1.378 -15.158 1.00 0.00 N ATOM 444 CA ILE A 28 1.215 -2.670 -15.742 1.00 0.00 C ATOM 445 C ILE A 28 -0.285 -2.742 -16.040 1.00 0.00 C ATOM 446 O ILE A 28 -1.104 -2.338 -15.216 1.00 0.00 O ATOM 447 CB ILE A 28 1.719 -3.801 -14.844 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.778 -3.292 -13.864 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.228 -4.977 -15.678 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.067 -2.914 -14.596 1.00 0.00 C ATOM 0 H ILE A 28 1.150 -1.231 -14.222 1.00 0.00 H new ATOM 0 HA ILE A 28 1.735 -2.794 -16.692 1.00 0.00 H new ATOM 0 HB ILE A 28 0.881 -4.166 -14.251 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.394 -2.425 -13.326 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.990 -4.061 -13.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.581 -5.767 -15.015 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.419 -5.359 -16.300 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.048 -4.644 -16.314 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.803 -2.555 -13.876 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.462 -3.789 -15.113 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.856 -2.128 -15.321 1.00 0.00 H new ATOM 462 N LEU A 29 -0.598 -3.259 -17.219 1.00 0.00 N ATOM 463 CA LEU A 29 -1.984 -3.389 -17.634 1.00 0.00 C ATOM 464 C LEU A 29 -2.225 -4.809 -18.149 1.00 0.00 C ATOM 465 O LEU A 29 -1.611 -5.232 -19.127 1.00 0.00 O ATOM 466 CB LEU A 29 -2.345 -2.299 -18.646 1.00 0.00 C ATOM 467 CG LEU A 29 -3.641 -1.533 -18.372 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.194 -0.916 -19.657 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.670 -2.426 -17.676 1.00 0.00 C ATOM 0 H LEU A 29 0.084 -3.593 -17.900 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.652 -3.238 -16.786 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.524 -1.583 -18.687 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.418 -2.757 -19.633 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.415 -0.712 -17.691 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.115 -0.377 -19.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.461 -0.225 -20.074 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.401 -1.705 -20.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.581 -1.857 -17.493 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.898 -3.282 -18.311 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.265 -2.777 -16.727 1.00 0.00 H new ATOM 481 N HIS A 30 -3.124 -5.507 -17.468 1.00 0.00 N ATOM 482 CA HIS A 30 -3.454 -6.871 -17.844 1.00 0.00 C ATOM 483 C HIS A 30 -2.290 -7.797 -17.489 1.00 0.00 C ATOM 484 O HIS A 30 -2.462 -8.755 -16.736 1.00 0.00 O ATOM 485 CB HIS A 30 -3.846 -6.946 -19.322 1.00 0.00 C ATOM 486 CG HIS A 30 -4.641 -5.759 -19.809 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.194 -4.919 -20.814 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.858 -5.280 -19.420 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.107 -3.981 -21.013 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.137 -4.206 -20.146 1.00 0.00 N ATOM 0 H HIS A 30 -3.633 -5.153 -16.658 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.324 -7.209 -17.280 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.941 -7.035 -19.923 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.429 -7.852 -19.487 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.487 -5.704 -18.651 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.047 -3.179 -21.734 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.983 -3.641 -20.069 1.00 0.00 H new ATOM 499 N TYR A 31 -1.133 -7.482 -18.048 1.00 0.00 N ATOM 500 CA TYR A 31 0.060 -8.274 -17.801 1.00 0.00 C ATOM 501 C TYR A 31 1.274 -7.674 -18.512 1.00 0.00 C ATOM 502 O TYR A 31 2.378 -8.211 -18.423 1.00 0.00 O ATOM 503 CB TYR A 31 -0.226 -9.659 -18.384 1.00 0.00 C ATOM 504 CG TYR A 31 -1.480 -9.719 -19.259 1.00 0.00 C ATOM 505 CD1 TYR A 31 -1.450 -9.220 -20.545 1.00 0.00 C ATOM 506 CD2 TYR A 31 -2.643 -10.272 -18.760 1.00 0.00 C ATOM 507 CE1 TYR A 31 -2.629 -9.277 -21.368 1.00 0.00 C ATOM 508 CE2 TYR A 31 -3.823 -10.329 -19.584 1.00 0.00 C ATOM 509 CZ TYR A 31 -3.759 -9.828 -20.847 1.00 0.00 C ATOM 510 OH TYR A 31 -4.872 -9.881 -21.624 1.00 0.00 O ATOM 0 H TYR A 31 -0.995 -6.688 -18.673 1.00 0.00 H new ATOM 0 HA TYR A 31 0.285 -8.307 -16.735 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.633 -9.977 -18.975 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.332 -10.372 -17.566 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.541 -8.786 -20.934 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.668 -10.661 -17.753 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.617 -8.891 -22.377 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.739 -10.760 -19.207 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.602 -10.301 -21.122 1.00 0.00 H new ATOM 520 N LYS A 32 1.031 -6.569 -19.202 1.00 0.00 N ATOM 521 CA LYS A 32 2.091 -5.891 -19.928 1.00 0.00 C ATOM 522 C LYS A 32 2.463 -4.602 -19.193 1.00 0.00 C ATOM 523 O LYS A 32 1.822 -4.237 -18.210 1.00 0.00 O ATOM 524 CB LYS A 32 1.685 -5.671 -21.387 1.00 0.00 C ATOM 525 CG LYS A 32 0.785 -6.805 -21.884 1.00 0.00 C ATOM 526 CD LYS A 32 1.542 -8.134 -21.912 1.00 0.00 C ATOM 527 CE LYS A 32 0.962 -9.072 -22.973 1.00 0.00 C ATOM 528 NZ LYS A 32 1.301 -10.479 -22.660 1.00 0.00 N ATOM 0 H LYS A 32 0.115 -6.126 -19.273 1.00 0.00 H new ATOM 0 HA LYS A 32 2.987 -6.511 -19.960 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.163 -4.719 -21.483 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.577 -5.610 -22.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.087 -6.893 -21.236 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.417 -6.571 -22.883 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.596 -7.952 -22.119 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.487 -8.609 -20.932 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.121 -8.954 -23.019 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.354 -8.807 -23.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.900 -11.103 -23.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.335 -10.591 -22.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.906 -10.733 -21.732 1.00 0.00 H new ATOM 542 N VAL A 33 3.500 -3.951 -19.698 1.00 0.00 N ATOM 543 CA VAL A 33 3.966 -2.710 -19.101 1.00 0.00 C ATOM 544 C VAL A 33 3.861 -1.582 -20.129 1.00 0.00 C ATOM 545 O VAL A 33 4.431 -1.672 -21.215 1.00 0.00 O ATOM 546 CB VAL A 33 5.384 -2.892 -18.557 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.821 -1.673 -17.743 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.493 -4.173 -17.727 1.00 0.00 C ATOM 0 H VAL A 33 4.031 -4.259 -20.513 1.00 0.00 H new ATOM 0 HA VAL A 33 3.339 -2.436 -18.253 1.00 0.00 H new ATOM 0 HB VAL A 33 6.059 -2.985 -19.408 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.833 -1.829 -17.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.802 -0.786 -18.377 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.141 -1.533 -16.903 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.511 -4.278 -17.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.801 -4.122 -16.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.245 -5.032 -18.350 1.00 0.00 H new ATOM 558 N TYR A 34 3.125 -0.547 -19.750 1.00 0.00 N ATOM 559 CA TYR A 34 2.938 0.597 -20.627 1.00 0.00 C ATOM 560 C TYR A 34 3.596 1.849 -20.043 1.00 0.00 C ATOM 561 O TYR A 34 3.670 2.004 -18.825 1.00 0.00 O ATOM 562 CB TYR A 34 1.427 0.820 -20.710 1.00 0.00 C ATOM 563 CG TYR A 34 0.628 -0.443 -21.037 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.525 -1.455 -20.104 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.011 -0.570 -22.265 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.226 -2.644 -20.411 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.741 -1.760 -22.572 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.824 -2.738 -21.630 1.00 0.00 C ATOM 569 OH TYR A 34 -1.533 -3.860 -21.919 1.00 0.00 O ATOM 0 H TYR A 34 2.652 -0.477 -18.849 1.00 0.00 H new ATOM 0 HA TYR A 34 3.388 0.412 -21.602 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.077 1.223 -19.760 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.223 1.574 -21.470 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.008 -1.355 -19.143 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.092 0.222 -22.995 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.313 -3.444 -19.690 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.228 -1.873 -23.529 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.383 -3.844 -21.432 1.00 0.00 H new ATOM 579 N ASP A 35 4.055 2.711 -20.939 1.00 0.00 N ATOM 580 CA ASP A 35 4.702 3.944 -20.526 1.00 0.00 C ATOM 581 C ASP A 35 3.646 5.039 -20.359 1.00 0.00 C ATOM 582 O ASP A 35 3.387 5.805 -21.285 1.00 0.00 O ATOM 583 CB ASP A 35 5.707 4.417 -21.579 1.00 0.00 C ATOM 584 CG ASP A 35 7.097 4.756 -21.039 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.164 5.647 -20.164 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.062 4.117 -21.512 1.00 0.00 O ATOM 0 H ASP A 35 3.991 2.580 -21.948 1.00 0.00 H new ATOM 0 HA ASP A 35 5.223 3.753 -19.588 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.808 3.641 -22.338 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.302 5.298 -22.076 1.00 0.00 H new ATOM 591 N LEU A 36 3.065 5.078 -19.168 1.00 0.00 N ATOM 592 CA LEU A 36 2.044 6.065 -18.865 1.00 0.00 C ATOM 593 C LEU A 36 2.532 7.447 -19.299 1.00 0.00 C ATOM 594 O LEU A 36 1.731 8.307 -19.665 1.00 0.00 O ATOM 595 CB LEU A 36 1.645 5.989 -17.390 1.00 0.00 C ATOM 596 CG LEU A 36 0.680 4.864 -17.012 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.025 5.168 -15.689 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.315 4.593 -18.143 1.00 0.00 C ATOM 0 H LEU A 36 3.283 4.441 -18.402 1.00 0.00 H new ATOM 0 HA LEU A 36 1.134 5.856 -19.428 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.551 5.878 -16.795 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.192 6.939 -17.108 1.00 0.00 H new ATOM 0 HG LEU A 36 1.258 3.952 -16.866 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.705 4.353 -15.443 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.717 5.273 -14.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.590 6.096 -15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.990 3.789 -17.849 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.892 5.496 -18.344 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.227 4.301 -19.042 1.00 0.00 H new ATOM 610 N THR A 37 3.845 7.620 -19.248 1.00 0.00 N ATOM 611 CA THR A 37 4.450 8.883 -19.631 1.00 0.00 C ATOM 612 C THR A 37 3.815 9.409 -20.920 1.00 0.00 C ATOM 613 O THR A 37 3.611 10.613 -21.070 1.00 0.00 O ATOM 614 CB THR A 37 5.960 8.671 -19.741 1.00 0.00 C ATOM 615 OG1 THR A 37 6.455 9.010 -18.449 1.00 0.00 O ATOM 616 CG2 THR A 37 6.629 9.683 -20.674 1.00 0.00 C ATOM 0 H THR A 37 4.507 6.905 -18.947 1.00 0.00 H new ATOM 0 HA THR A 37 4.270 9.651 -18.879 1.00 0.00 H new ATOM 0 HB THR A 37 6.158 7.661 -20.100 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.703 9.132 -17.832 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.700 9.487 -20.715 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.205 9.592 -21.674 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.459 10.692 -20.298 1.00 0.00 H new ATOM 624 N LYS A 38 3.520 8.481 -21.818 1.00 0.00 N ATOM 625 CA LYS A 38 2.912 8.835 -23.090 1.00 0.00 C ATOM 626 C LYS A 38 1.401 8.989 -22.902 1.00 0.00 C ATOM 627 O LYS A 38 0.774 9.828 -23.548 1.00 0.00 O ATOM 628 CB LYS A 38 3.299 7.823 -24.169 1.00 0.00 C ATOM 629 CG LYS A 38 4.328 8.415 -25.133 1.00 0.00 C ATOM 630 CD LYS A 38 5.069 7.312 -25.890 1.00 0.00 C ATOM 631 CE LYS A 38 5.154 7.633 -27.384 1.00 0.00 C ATOM 632 NZ LYS A 38 6.270 6.892 -28.012 1.00 0.00 N ATOM 0 H LYS A 38 3.691 7.484 -21.690 1.00 0.00 H new ATOM 0 HA LYS A 38 3.289 9.796 -23.439 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.707 6.926 -23.702 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.411 7.518 -24.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.829 9.075 -25.842 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.043 9.024 -24.579 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.073 7.197 -25.482 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.556 6.361 -25.748 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.215 7.370 -27.872 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.297 8.704 -27.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.313 7.122 -29.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.166 7.163 -27.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.117 5.870 -27.895 1.00 0.00 H new ATOM 646 N PHE A 39 0.860 8.165 -22.018 1.00 0.00 N ATOM 647 CA PHE A 39 -0.564 8.198 -21.736 1.00 0.00 C ATOM 648 C PHE A 39 -0.959 9.509 -21.052 1.00 0.00 C ATOM 649 O PHE A 39 -2.101 9.952 -21.164 1.00 0.00 O ATOM 650 CB PHE A 39 -0.862 7.033 -20.791 1.00 0.00 C ATOM 651 CG PHE A 39 -0.721 5.653 -21.439 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.506 5.080 -21.557 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.824 5.001 -21.898 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.638 3.801 -22.159 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.691 3.722 -22.499 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.464 3.149 -22.617 1.00 0.00 C ATOM 0 H PHE A 39 1.383 7.469 -21.487 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.128 8.121 -22.666 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.189 7.092 -19.935 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.876 7.141 -20.407 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.381 5.598 -21.193 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.799 5.456 -21.805 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.613 3.346 -22.253 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.566 3.203 -22.863 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.364 2.176 -23.075 1.00 0.00 H new ATOM 666 N LEU A 40 0.008 10.090 -20.358 1.00 0.00 N ATOM 667 CA LEU A 40 -0.224 11.341 -19.656 1.00 0.00 C ATOM 668 C LEU A 40 -1.009 12.292 -20.561 1.00 0.00 C ATOM 669 O LEU A 40 -2.126 12.686 -20.233 1.00 0.00 O ATOM 670 CB LEU A 40 1.098 11.923 -19.149 1.00 0.00 C ATOM 671 CG LEU A 40 1.337 11.834 -17.641 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.352 10.377 -17.175 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.615 12.575 -17.243 1.00 0.00 C ATOM 0 H LEU A 40 0.953 9.718 -20.267 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.833 11.173 -18.768 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.916 11.411 -19.657 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.147 12.971 -19.443 1.00 0.00 H new ATOM 0 HG LEU A 40 0.508 12.327 -17.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.524 10.341 -16.099 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.394 9.911 -17.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.149 9.839 -17.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.761 12.496 -16.166 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.468 12.133 -17.758 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.528 13.625 -17.521 1.00 0.00 H new ATOM 685 N GLU A 41 -0.391 12.634 -21.683 1.00 0.00 N ATOM 686 CA GLU A 41 -1.019 13.532 -22.637 1.00 0.00 C ATOM 687 C GLU A 41 -2.343 12.943 -23.128 1.00 0.00 C ATOM 688 O GLU A 41 -3.159 13.648 -23.721 1.00 0.00 O ATOM 689 CB GLU A 41 -0.082 13.826 -23.811 1.00 0.00 C ATOM 690 CG GLU A 41 0.374 12.533 -24.486 1.00 0.00 C ATOM 691 CD GLU A 41 0.932 12.811 -25.884 1.00 0.00 C ATOM 692 OE1 GLU A 41 0.117 12.807 -26.831 1.00 0.00 O ATOM 693 OE2 GLU A 41 2.161 13.022 -25.972 1.00 0.00 O ATOM 0 H GLU A 41 0.537 12.306 -21.952 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.228 14.477 -22.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.591 14.459 -24.537 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.787 14.381 -23.457 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.137 12.049 -23.876 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.464 11.840 -24.556 1.00 0.00 H new ATOM 700 N GLU A 42 -2.515 11.655 -22.865 1.00 0.00 N ATOM 701 CA GLU A 42 -3.727 10.963 -23.273 1.00 0.00 C ATOM 702 C GLU A 42 -4.786 11.054 -22.172 1.00 0.00 C ATOM 703 O GLU A 42 -4.773 11.985 -21.369 1.00 0.00 O ATOM 704 CB GLU A 42 -3.431 9.506 -23.632 1.00 0.00 C ATOM 705 CG GLU A 42 -4.003 9.153 -25.007 1.00 0.00 C ATOM 706 CD GLU A 42 -3.407 10.048 -26.095 1.00 0.00 C ATOM 707 OE1 GLU A 42 -2.163 10.055 -26.204 1.00 0.00 O ATOM 708 OE2 GLU A 42 -4.210 10.704 -26.793 1.00 0.00 O ATOM 0 H GLU A 42 -1.836 11.073 -22.375 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.118 11.450 -24.166 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.354 9.338 -23.628 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.859 8.847 -22.876 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.793 8.108 -25.235 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.087 9.264 -24.993 1.00 0.00 H new ATOM 715 N HIS A 43 -5.676 10.073 -22.171 1.00 0.00 N ATOM 716 CA HIS A 43 -6.740 10.029 -21.181 1.00 0.00 C ATOM 717 C HIS A 43 -7.720 11.176 -21.430 1.00 0.00 C ATOM 718 O HIS A 43 -7.459 12.052 -22.255 1.00 0.00 O ATOM 719 CB HIS A 43 -6.164 10.037 -19.764 1.00 0.00 C ATOM 720 CG HIS A 43 -6.441 8.777 -18.981 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.109 8.778 -17.769 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.133 7.476 -19.250 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.194 7.528 -17.337 1.00 0.00 C ATOM 724 NE2 HIS A 43 -6.588 6.722 -18.256 1.00 0.00 N ATOM 0 H HIS A 43 -5.683 9.302 -22.839 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.295 9.096 -21.279 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.086 10.187 -19.822 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.575 10.888 -19.221 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.474 9.601 -17.290 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.608 7.119 -20.124 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.661 7.204 -16.419 1.00 0.00 H new ATOM 733 N PRO A 44 -8.855 11.136 -20.684 1.00 0.00 N ATOM 734 CA PRO A 44 -9.877 12.162 -20.816 1.00 0.00 C ATOM 735 C PRO A 44 -9.437 13.461 -20.138 1.00 0.00 C ATOM 736 O PRO A 44 -10.153 13.997 -19.293 1.00 0.00 O ATOM 737 CB PRO A 44 -11.124 11.557 -20.192 1.00 0.00 C ATOM 738 CG PRO A 44 -10.641 10.409 -19.322 1.00 0.00 C ATOM 739 CD PRO A 44 -9.198 10.114 -19.698 1.00 0.00 C ATOM 0 HA PRO A 44 -10.064 12.441 -21.853 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.662 12.297 -19.599 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.812 11.202 -20.960 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.714 10.673 -18.267 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.263 9.527 -19.474 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.543 10.168 -18.828 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.094 9.112 -20.114 1.00 0.00 H new ATOM 747 N GLY A 45 -8.264 13.931 -20.535 1.00 0.00 N ATOM 748 CA GLY A 45 -7.721 15.157 -19.977 1.00 0.00 C ATOM 749 C GLY A 45 -7.278 14.950 -18.526 1.00 0.00 C ATOM 750 O GLY A 45 -7.806 15.587 -17.616 1.00 0.00 O ATOM 0 H GLY A 45 -7.674 13.484 -21.237 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.873 15.489 -20.576 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.472 15.946 -20.023 1.00 0.00 H new ATOM 754 N GLY A 46 -6.312 14.060 -18.358 1.00 0.00 N ATOM 755 CA GLY A 46 -5.792 13.762 -17.034 1.00 0.00 C ATOM 756 C GLY A 46 -4.457 13.020 -17.124 1.00 0.00 C ATOM 757 O GLY A 46 -4.296 12.124 -17.952 1.00 0.00 O ATOM 0 H GLY A 46 -5.875 13.535 -19.116 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.661 14.688 -16.474 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.512 13.156 -16.484 1.00 0.00 H new ATOM 761 N GLU A 47 -3.536 13.419 -16.260 1.00 0.00 N ATOM 762 CA GLU A 47 -2.221 12.803 -16.231 1.00 0.00 C ATOM 763 C GLU A 47 -2.062 11.949 -14.972 1.00 0.00 C ATOM 764 O GLU A 47 -1.709 10.773 -15.057 1.00 0.00 O ATOM 765 CB GLU A 47 -1.118 13.861 -16.317 1.00 0.00 C ATOM 766 CG GLU A 47 -0.784 14.188 -17.775 1.00 0.00 C ATOM 767 CD GLU A 47 -1.621 15.365 -18.278 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.786 15.463 -17.836 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.077 16.140 -19.096 1.00 0.00 O ATOM 0 H GLU A 47 -3.674 14.162 -15.575 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.127 12.154 -17.102 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.437 14.767 -15.801 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.224 13.502 -15.807 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.276 14.426 -17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.968 13.313 -18.399 1.00 0.00 H new ATOM 776 N GLU A 48 -2.329 12.572 -13.834 1.00 0.00 N ATOM 777 CA GLU A 48 -2.222 11.883 -12.560 1.00 0.00 C ATOM 778 C GLU A 48 -3.012 10.573 -12.596 1.00 0.00 C ATOM 779 O GLU A 48 -2.536 9.543 -12.121 1.00 0.00 O ATOM 780 CB GLU A 48 -2.693 12.777 -11.411 1.00 0.00 C ATOM 781 CG GLU A 48 -1.642 12.844 -10.302 1.00 0.00 C ATOM 782 CD GLU A 48 -2.264 13.308 -8.983 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.369 12.811 -8.672 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.623 14.147 -8.316 1.00 0.00 O ATOM 0 H GLU A 48 -2.620 13.548 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.173 11.646 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.896 13.780 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.629 12.392 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.187 11.863 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.845 13.528 -10.593 1.00 0.00 H new ATOM 791 N VAL A 49 -4.205 10.655 -13.164 1.00 0.00 N ATOM 792 CA VAL A 49 -5.066 9.490 -13.268 1.00 0.00 C ATOM 793 C VAL A 49 -4.223 8.269 -13.639 1.00 0.00 C ATOM 794 O VAL A 49 -4.583 7.138 -13.313 1.00 0.00 O ATOM 795 CB VAL A 49 -6.195 9.759 -14.265 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.639 10.028 -15.665 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.197 8.604 -14.286 1.00 0.00 C ATOM 0 H VAL A 49 -4.596 11.511 -13.557 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.540 9.281 -12.309 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.723 10.654 -13.937 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.463 10.216 -16.354 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.985 10.899 -15.635 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.073 9.161 -16.005 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.988 8.822 -15.003 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.687 7.685 -14.576 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.631 8.480 -13.294 1.00 0.00 H new ATOM 807 N LEU A 50 -3.114 8.538 -14.312 1.00 0.00 N ATOM 808 CA LEU A 50 -2.215 7.476 -14.730 1.00 0.00 C ATOM 809 C LEU A 50 -0.981 7.471 -13.824 1.00 0.00 C ATOM 810 O LEU A 50 -0.420 6.414 -13.538 1.00 0.00 O ATOM 811 CB LEU A 50 -1.885 7.607 -16.217 1.00 0.00 C ATOM 812 CG LEU A 50 -3.059 7.434 -17.184 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.108 8.579 -18.196 1.00 0.00 C ATOM 814 CD2 LEU A 50 -3.010 6.067 -17.867 1.00 0.00 C ATOM 0 H LEU A 50 -2.817 9.477 -14.578 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.697 6.504 -14.619 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.443 8.589 -16.385 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.123 6.868 -16.466 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.984 7.473 -16.609 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.951 8.432 -18.871 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.226 9.526 -17.669 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.182 8.597 -18.770 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.855 5.970 -18.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.080 5.973 -18.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.060 5.282 -17.113 1.00 0.00 H new ATOM 826 N ARG A 51 -0.595 8.665 -13.398 1.00 0.00 N ATOM 827 CA ARG A 51 0.562 8.813 -12.532 1.00 0.00 C ATOM 828 C ARG A 51 0.283 8.185 -11.164 1.00 0.00 C ATOM 829 O ARG A 51 1.157 7.544 -10.581 1.00 0.00 O ATOM 830 CB ARG A 51 0.926 10.286 -12.344 1.00 0.00 C ATOM 831 CG ARG A 51 2.425 10.453 -12.090 1.00 0.00 C ATOM 832 CD ARG A 51 2.680 11.130 -10.741 1.00 0.00 C ATOM 833 NE ARG A 51 4.011 11.777 -10.745 1.00 0.00 N ATOM 834 CZ ARG A 51 4.406 12.689 -9.845 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.574 13.066 -8.864 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.631 13.224 -9.926 1.00 0.00 N ATOM 0 H ARG A 51 -1.063 9.539 -13.637 1.00 0.00 H new ATOM 0 HA ARG A 51 1.400 8.303 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.639 10.851 -13.231 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.364 10.699 -11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.912 9.478 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.869 11.047 -12.889 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.906 11.872 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.626 10.394 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 51 4.669 11.513 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.641 12.659 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.874 13.760 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.264 12.938 -10.673 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.931 13.918 -9.241 1.00 0.00 H new ATOM 850 N GLU A 52 -0.939 8.390 -10.692 1.00 0.00 N ATOM 851 CA GLU A 52 -1.343 7.852 -9.405 1.00 0.00 C ATOM 852 C GLU A 52 -1.328 6.322 -9.439 1.00 0.00 C ATOM 853 O GLU A 52 -1.378 5.673 -8.395 1.00 0.00 O ATOM 854 CB GLU A 52 -2.721 8.378 -9.000 1.00 0.00 C ATOM 855 CG GLU A 52 -3.811 7.830 -9.924 1.00 0.00 C ATOM 856 CD GLU A 52 -5.148 8.528 -9.669 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.148 9.777 -9.685 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.140 7.796 -9.465 1.00 0.00 O ATOM 0 H GLU A 52 -1.661 8.921 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.627 8.185 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.935 8.092 -7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.723 9.467 -9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.516 7.971 -10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.921 6.757 -9.766 1.00 0.00 H new ATOM 865 N GLN A 53 -1.261 5.791 -10.651 1.00 0.00 N ATOM 866 CA GLN A 53 -1.238 4.350 -10.836 1.00 0.00 C ATOM 867 C GLN A 53 0.153 3.892 -11.277 1.00 0.00 C ATOM 868 O GLN A 53 0.494 2.718 -11.150 1.00 0.00 O ATOM 869 CB GLN A 53 -2.305 3.909 -11.840 1.00 0.00 C ATOM 870 CG GLN A 53 -2.145 4.649 -13.170 1.00 0.00 C ATOM 871 CD GLN A 53 -3.232 4.232 -14.162 1.00 0.00 C ATOM 872 OE1 GLN A 53 -3.091 3.281 -14.913 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.321 4.995 -14.124 1.00 0.00 N ATOM 0 H GLN A 53 -1.222 6.333 -11.514 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.467 3.878 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.231 2.834 -12.006 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.297 4.101 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.195 5.725 -13.000 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.162 4.438 -13.592 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.374 5.776 -13.470 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.103 4.799 -14.748 1.00 0.00 H new ATOM 882 N ALA A 54 0.919 4.844 -11.790 1.00 0.00 N ATOM 883 CA ALA A 54 2.266 4.555 -12.253 1.00 0.00 C ATOM 884 C ALA A 54 3.130 4.138 -11.061 1.00 0.00 C ATOM 885 O ALA A 54 3.108 4.787 -10.016 1.00 0.00 O ATOM 886 CB ALA A 54 2.828 5.775 -12.984 1.00 0.00 C ATOM 0 H ALA A 54 0.632 5.817 -11.895 1.00 0.00 H new ATOM 0 HA ALA A 54 2.260 3.727 -12.962 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.838 5.558 -13.331 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.194 6.011 -13.838 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.853 6.627 -12.304 1.00 0.00 H new ATOM 892 N GLY A 55 3.874 3.059 -11.258 1.00 0.00 N ATOM 893 CA GLY A 55 4.744 2.550 -10.213 1.00 0.00 C ATOM 894 C GLY A 55 4.389 1.103 -9.861 1.00 0.00 C ATOM 895 O GLY A 55 4.778 0.604 -8.805 1.00 0.00 O ATOM 0 H GLY A 55 3.892 2.524 -12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.782 2.604 -10.541 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.657 3.176 -9.325 1.00 0.00 H new ATOM 899 N GLY A 56 3.655 0.471 -10.764 1.00 0.00 N ATOM 900 CA GLY A 56 3.243 -0.908 -10.562 1.00 0.00 C ATOM 901 C GLY A 56 2.008 -1.240 -11.401 1.00 0.00 C ATOM 902 O GLY A 56 1.570 -0.429 -12.217 1.00 0.00 O ATOM 0 H GLY A 56 3.335 0.888 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.060 -1.578 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.026 -1.076 -9.507 1.00 0.00 H new ATOM 906 N ASP A 57 1.480 -2.434 -11.173 1.00 0.00 N ATOM 907 CA ASP A 57 0.304 -2.883 -11.898 1.00 0.00 C ATOM 908 C ASP A 57 -0.868 -1.946 -11.591 1.00 0.00 C ATOM 909 O ASP A 57 -1.168 -1.683 -10.429 1.00 0.00 O ATOM 910 CB ASP A 57 -0.098 -4.296 -11.473 1.00 0.00 C ATOM 911 CG ASP A 57 -1.606 -4.533 -11.359 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.336 -3.957 -12.194 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.994 -5.285 -10.438 1.00 0.00 O ATOM 0 H ASP A 57 1.845 -3.104 -10.496 1.00 0.00 H new ATOM 0 HA ASP A 57 0.542 -2.880 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.313 -5.006 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.363 -4.514 -10.510 1.00 0.00 H new ATOM 918 N ALA A 58 -1.495 -1.469 -12.657 1.00 0.00 N ATOM 919 CA ALA A 58 -2.628 -0.568 -12.516 1.00 0.00 C ATOM 920 C ALA A 58 -3.911 -1.303 -12.908 1.00 0.00 C ATOM 921 O ALA A 58 -5.009 -0.867 -12.565 1.00 0.00 O ATOM 922 CB ALA A 58 -2.391 0.684 -13.363 1.00 0.00 C ATOM 0 H ALA A 58 -1.241 -1.689 -13.620 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.737 -0.246 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.239 1.360 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.484 1.185 -13.026 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.281 0.400 -14.409 1.00 0.00 H new ATOM 928 N THR A 59 -3.729 -2.405 -13.621 1.00 0.00 N ATOM 929 CA THR A 59 -4.860 -3.204 -14.063 1.00 0.00 C ATOM 930 C THR A 59 -5.836 -3.432 -12.908 1.00 0.00 C ATOM 931 O THR A 59 -7.046 -3.281 -13.074 1.00 0.00 O ATOM 932 CB THR A 59 -4.316 -4.502 -14.663 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.264 -4.844 -15.669 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.376 -5.672 -13.681 1.00 0.00 C ATOM 0 H THR A 59 -2.817 -2.763 -13.903 1.00 0.00 H new ATOM 0 HA THR A 59 -5.432 -2.687 -14.833 1.00 0.00 H new ATOM 0 HB THR A 59 -3.285 -4.349 -14.982 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.817 -4.062 -15.877 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.978 -6.568 -14.158 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.782 -5.437 -12.798 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.411 -5.847 -13.386 1.00 0.00 H new ATOM 942 N GLU A 60 -5.275 -3.792 -11.763 1.00 0.00 N ATOM 943 CA GLU A 60 -6.082 -4.043 -10.580 1.00 0.00 C ATOM 944 C GLU A 60 -7.082 -2.904 -10.370 1.00 0.00 C ATOM 945 O GLU A 60 -8.192 -3.129 -9.889 1.00 0.00 O ATOM 946 CB GLU A 60 -5.199 -4.233 -9.345 1.00 0.00 C ATOM 947 CG GLU A 60 -4.104 -3.165 -9.284 1.00 0.00 C ATOM 948 CD GLU A 60 -4.274 -2.276 -8.050 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.477 -2.853 -6.960 1.00 0.00 O ATOM 950 OE2 GLU A 60 -4.196 -1.041 -8.226 1.00 0.00 O ATOM 0 H GLU A 60 -4.271 -3.916 -11.629 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.640 -4.967 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.811 -4.183 -8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.745 -5.224 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.125 -3.644 -9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.137 -2.553 -10.185 1.00 0.00 H new ATOM 957 N ASN A 61 -6.653 -1.707 -10.740 1.00 0.00 N ATOM 958 CA ASN A 61 -7.497 -0.532 -10.597 1.00 0.00 C ATOM 959 C ASN A 61 -8.205 -0.253 -11.925 1.00 0.00 C ATOM 960 O ASN A 61 -9.426 -0.116 -11.965 1.00 0.00 O ATOM 961 CB ASN A 61 -6.669 0.702 -10.234 1.00 0.00 C ATOM 962 CG ASN A 61 -7.190 1.355 -8.953 1.00 0.00 C ATOM 963 OD1 ASN A 61 -6.566 1.314 -7.906 1.00 0.00 O ATOM 964 ND2 ASN A 61 -8.367 1.958 -9.094 1.00 0.00 N ATOM 0 H ASN A 61 -5.732 -1.525 -11.139 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.216 -0.729 -9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.625 0.418 -10.103 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.703 1.421 -11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.800 2.423 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.836 1.955 -10.000 1.00 0.00 H new ATOM 971 N PHE A 62 -7.407 -0.179 -12.979 1.00 0.00 N ATOM 972 CA PHE A 62 -7.940 0.082 -14.306 1.00 0.00 C ATOM 973 C PHE A 62 -9.076 -0.887 -14.638 1.00 0.00 C ATOM 974 O PHE A 62 -9.862 -0.636 -15.550 1.00 0.00 O ATOM 975 CB PHE A 62 -6.796 -0.130 -15.298 1.00 0.00 C ATOM 976 CG PHE A 62 -7.175 -0.981 -16.513 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.401 -2.314 -16.365 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.286 -0.404 -17.740 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.754 -3.103 -17.491 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.638 -1.193 -18.865 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.865 -2.526 -18.717 1.00 0.00 C ATOM 0 H PHE A 62 -6.394 -0.295 -12.942 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.337 1.096 -14.356 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.444 0.842 -15.644 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.963 -0.605 -14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.312 -2.772 -15.391 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.106 0.654 -17.857 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.934 -4.161 -17.374 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.726 -0.735 -19.839 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.134 -3.126 -19.574 1.00 0.00 H new ATOM 991 N GLU A 63 -9.125 -1.973 -13.882 1.00 0.00 N ATOM 992 CA GLU A 63 -10.151 -2.981 -14.085 1.00 0.00 C ATOM 993 C GLU A 63 -11.447 -2.568 -13.385 1.00 0.00 C ATOM 994 O GLU A 63 -12.540 -2.834 -13.884 1.00 0.00 O ATOM 995 CB GLU A 63 -9.678 -4.352 -13.601 1.00 0.00 C ATOM 996 CG GLU A 63 -9.000 -5.129 -14.730 1.00 0.00 C ATOM 997 CD GLU A 63 -10.008 -6.006 -15.476 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.367 -7.063 -14.915 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.399 -5.597 -16.592 1.00 0.00 O ATOM 0 H GLU A 63 -8.470 -2.177 -13.127 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.348 -3.060 -15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.982 -4.228 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.527 -4.921 -13.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.534 -4.432 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.204 -5.751 -14.321 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.283 -1.926 -12.237 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.427 -1.474 -11.462 1.00 0.00 C ATOM 1008 C ASP A 64 -13.127 -0.338 -12.211 1.00 0.00 C ATOM 1009 O ASP A 64 -14.340 -0.168 -12.093 1.00 0.00 O ATOM 1010 CB ASP A 64 -11.989 -0.942 -10.096 1.00 0.00 C ATOM 1011 CG ASP A 64 -12.945 0.071 -9.461 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.146 -0.261 -9.374 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.450 1.154 -9.078 1.00 0.00 O ATOM 0 H ASP A 64 -10.376 -1.708 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.097 -2.322 -11.321 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.872 -1.785 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.008 -0.478 -10.201 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.333 0.409 -12.964 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.863 1.524 -13.731 1.00 0.00 C ATOM 1020 C VAL A 65 -13.387 1.011 -15.073 1.00 0.00 C ATOM 1021 O VAL A 65 -13.857 1.790 -15.901 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.796 2.610 -13.881 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.392 2.026 -13.706 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.928 3.325 -15.226 1.00 0.00 C ATOM 0 H VAL A 65 -11.328 0.264 -13.059 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.703 1.982 -13.208 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.954 3.347 -13.093 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.652 2.818 -13.817 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.303 1.583 -12.714 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.220 1.260 -14.462 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.158 4.092 -15.307 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.809 2.604 -16.035 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.912 3.789 -15.296 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.289 -0.299 -15.249 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.746 -0.926 -16.477 1.00 0.00 C ATOM 1036 C GLY A 66 -13.532 -0.003 -17.678 1.00 0.00 C ATOM 1037 O GLY A 66 -14.423 0.762 -18.045 1.00 0.00 O ATOM 0 H GLY A 66 -12.899 -0.943 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.209 -1.862 -16.633 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.803 -1.176 -16.390 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.343 -0.103 -18.256 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.999 0.713 -19.407 1.00 0.00 C ATOM 1043 C HIS A 67 -12.659 0.136 -20.662 1.00 0.00 C ATOM 1044 O HIS A 67 -13.397 -0.845 -20.585 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.481 0.850 -19.544 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.858 1.800 -18.550 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.478 1.410 -17.277 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.554 3.125 -18.653 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.968 2.461 -16.652 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -9.016 3.523 -17.506 1.00 0.00 N ATOM 0 H HIS A 67 -11.606 -0.737 -17.948 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.384 1.723 -19.268 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.026 -0.133 -19.426 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.247 1.191 -20.553 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.574 0.473 -16.887 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.722 3.746 -19.521 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.582 2.474 -15.643 1.00 0.00 H new ATOM 1059 N SER A 68 -12.366 0.768 -21.790 1.00 0.00 N ATOM 1060 CA SER A 68 -12.921 0.328 -23.059 1.00 0.00 C ATOM 1061 C SER A 68 -11.844 -0.381 -23.883 1.00 0.00 C ATOM 1062 O SER A 68 -10.654 -0.120 -23.711 1.00 0.00 O ATOM 1063 CB SER A 68 -13.499 1.507 -23.844 1.00 0.00 C ATOM 1064 OG SER A 68 -12.498 2.195 -24.588 1.00 0.00 O ATOM 0 H SER A 68 -11.752 1.580 -21.851 1.00 0.00 H new ATOM 0 HA SER A 68 -13.732 -0.371 -22.855 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.272 1.146 -24.523 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.979 2.201 -23.154 1.00 0.00 H new ATOM 0 HG SER A 68 -12.907 2.940 -25.076 1.00 0.00 H new ATOM 1070 N THR A 69 -12.300 -1.265 -24.758 1.00 0.00 N ATOM 1071 CA THR A 69 -11.392 -2.013 -25.608 1.00 0.00 C ATOM 1072 C THR A 69 -10.483 -1.060 -26.387 1.00 0.00 C ATOM 1073 O THR A 69 -9.414 -1.457 -26.851 1.00 0.00 O ATOM 1074 CB THR A 69 -12.228 -2.926 -26.507 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.459 -4.084 -25.709 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.437 -3.452 -27.708 1.00 0.00 C ATOM 0 H THR A 69 -13.288 -1.480 -24.896 1.00 0.00 H new ATOM 0 HA THR A 69 -10.724 -2.639 -25.017 1.00 0.00 H new ATOM 0 HB THR A 69 -13.104 -2.382 -26.860 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.996 -4.728 -26.215 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.077 -4.094 -28.312 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.091 -2.613 -28.312 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.578 -4.024 -27.356 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.940 0.176 -26.506 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.182 1.190 -27.221 1.00 0.00 C ATOM 1086 C ASP A 70 -9.031 1.678 -26.338 1.00 0.00 C ATOM 1087 O ASP A 70 -7.893 1.776 -26.793 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.059 2.396 -27.563 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.399 3.440 -28.465 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.151 3.425 -28.532 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.157 4.231 -29.067 1.00 0.00 O ATOM 0 H ASP A 70 -11.827 0.500 -26.119 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.808 0.743 -28.142 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.967 2.040 -28.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.363 2.880 -26.635 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.369 1.969 -25.091 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.378 2.445 -24.140 1.00 0.00 C ATOM 1098 C ALA A 71 -7.253 1.414 -24.023 1.00 0.00 C ATOM 1099 O ALA A 71 -6.076 1.771 -24.036 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.054 2.725 -22.796 1.00 0.00 C ATOM 0 H ALA A 71 -10.314 1.885 -24.717 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.934 3.380 -24.483 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.311 3.082 -22.083 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.825 3.484 -22.928 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.508 1.809 -22.419 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.654 0.157 -23.914 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.696 -0.928 -23.796 1.00 0.00 C ATOM 1108 C ARG A 72 -5.860 -1.040 -25.074 1.00 0.00 C ATOM 1109 O ARG A 72 -4.642 -1.193 -25.011 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.401 -2.261 -23.538 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.444 -2.125 -22.428 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.170 -3.450 -22.192 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.973 -3.373 -20.950 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.703 -4.386 -20.464 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.736 -5.559 -21.111 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -11.401 -4.225 -19.333 1.00 0.00 N ATOM 0 H ARG A 72 -8.631 -0.135 -23.905 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.046 -0.705 -22.950 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.882 -2.605 -24.454 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.666 -3.017 -23.261 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.959 -1.803 -21.506 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.166 -1.353 -22.695 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.817 -3.676 -23.040 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.447 -4.262 -22.118 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.970 -2.494 -20.432 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.205 -5.681 -21.974 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.292 -6.330 -20.741 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.377 -3.331 -18.842 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.957 -4.996 -18.963 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.550 -0.956 -26.202 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.886 -1.045 -27.491 1.00 0.00 C ATOM 1132 C GLU A 73 -4.897 0.109 -27.661 1.00 0.00 C ATOM 1133 O GLU A 73 -3.773 -0.093 -28.115 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.907 -1.065 -28.632 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.018 -2.463 -29.243 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.273 -2.583 -30.111 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.428 -1.719 -31.004 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -9.045 -3.533 -29.867 1.00 0.00 O ATOM 0 H GLU A 73 -7.561 -0.827 -26.250 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.329 -1.981 -27.527 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.881 -0.749 -28.259 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.613 -0.350 -29.401 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.134 -2.672 -29.845 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.047 -3.210 -28.449 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.352 1.296 -27.286 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.521 2.483 -27.391 1.00 0.00 C ATOM 1147 C LEU A 74 -3.227 2.265 -26.603 1.00 0.00 C ATOM 1148 O LEU A 74 -2.146 2.635 -27.063 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.303 3.725 -26.956 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.969 4.277 -25.569 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.766 5.220 -25.629 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.191 4.944 -24.936 1.00 0.00 C ATOM 0 H LEU A 74 -6.285 1.461 -26.909 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.238 2.659 -28.429 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.132 4.513 -27.690 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.367 3.489 -26.985 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.690 3.442 -24.927 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.550 5.598 -24.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.899 4.680 -26.008 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.991 6.055 -26.292 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.926 5.328 -23.951 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.525 5.767 -25.568 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.994 4.213 -24.837 1.00 0.00 H new ATOM 1164 N SER A 75 -3.377 1.666 -25.432 1.00 0.00 N ATOM 1165 CA SER A 75 -2.234 1.395 -24.578 1.00 0.00 C ATOM 1166 C SER A 75 -1.235 0.498 -25.311 1.00 0.00 C ATOM 1167 O SER A 75 -0.027 0.614 -25.108 1.00 0.00 O ATOM 1168 CB SER A 75 -2.670 0.741 -23.265 1.00 0.00 C ATOM 1169 OG SER A 75 -4.084 0.786 -23.090 1.00 0.00 O ATOM 0 H SER A 75 -4.274 1.360 -25.054 1.00 0.00 H new ATOM 0 HA SER A 75 -1.754 2.344 -24.338 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.335 -0.296 -23.248 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.185 1.246 -22.430 1.00 0.00 H new ATOM 0 HG SER A 75 -4.436 1.612 -23.482 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.775 -0.376 -26.148 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.946 -1.293 -26.911 1.00 0.00 C ATOM 1177 C LYS A 76 -0.020 -0.492 -27.828 1.00 0.00 C ATOM 1178 O LYS A 76 0.934 -1.036 -28.382 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.814 -2.311 -27.652 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.921 -1.963 -29.138 1.00 0.00 C ATOM 1181 CD LYS A 76 -3.057 -2.742 -29.803 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.690 -3.131 -31.237 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.876 -4.584 -31.445 1.00 0.00 N ATOM 0 H LYS A 76 -2.777 -0.468 -26.314 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.311 -1.876 -26.245 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.388 -3.308 -27.538 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.809 -2.337 -27.208 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.093 -0.893 -29.253 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.979 -2.190 -29.637 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.275 -3.639 -29.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.964 -2.137 -29.807 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.310 -2.575 -31.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.654 -2.858 -31.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.622 -4.830 -32.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.266 -5.110 -30.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.870 -4.835 -31.272 1.00 0.00 H new ATOM 1197 N THR A 77 -0.334 0.789 -27.961 1.00 0.00 N ATOM 1198 CA THR A 77 0.458 1.670 -28.803 1.00 0.00 C ATOM 1199 C THR A 77 1.578 2.322 -27.987 1.00 0.00 C ATOM 1200 O THR A 77 2.597 2.729 -28.541 1.00 0.00 O ATOM 1201 CB THR A 77 -0.489 2.682 -29.451 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.195 3.088 -30.633 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.619 3.969 -28.633 1.00 0.00 C ATOM 0 H THR A 77 -1.126 1.237 -27.500 1.00 0.00 H new ATOM 0 HA THR A 77 0.957 1.115 -29.597 1.00 0.00 H new ATOM 0 HB THR A 77 -1.474 2.231 -29.576 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.349 3.744 -31.117 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.302 4.653 -29.137 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.007 3.733 -27.642 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.360 4.439 -28.537 1.00 0.00 H new ATOM 1211 N PHE A 78 1.348 2.401 -26.684 1.00 0.00 N ATOM 1212 CA PHE A 78 2.325 2.996 -25.788 1.00 0.00 C ATOM 1213 C PHE A 78 3.043 1.921 -24.970 1.00 0.00 C ATOM 1214 O PHE A 78 3.856 2.238 -24.101 1.00 0.00 O ATOM 1215 CB PHE A 78 1.556 3.914 -24.835 1.00 0.00 C ATOM 1216 CG PHE A 78 1.131 5.244 -25.462 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.977 5.902 -26.299 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.091 5.769 -25.180 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.584 7.136 -26.882 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.484 7.004 -25.762 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.360 7.660 -26.599 1.00 0.00 C ATOM 0 H PHE A 78 0.500 2.063 -26.228 1.00 0.00 H new ATOM 0 HA PHE A 78 3.075 3.540 -26.363 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.668 3.391 -24.480 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.177 4.117 -23.962 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.949 5.486 -26.521 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.763 5.248 -24.514 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.255 7.658 -27.549 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.455 7.421 -25.538 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.060 8.599 -27.041 1.00 0.00 H new ATOM 1231 N ILE A 79 2.720 0.673 -25.276 1.00 0.00 N ATOM 1232 CA ILE A 79 3.324 -0.450 -24.580 1.00 0.00 C ATOM 1233 C ILE A 79 4.840 -0.417 -24.790 1.00 0.00 C ATOM 1234 O ILE A 79 5.311 -0.255 -25.914 1.00 0.00 O ATOM 1235 CB ILE A 79 2.673 -1.764 -25.014 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.492 -2.117 -24.106 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.703 -2.893 -25.079 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.125 -3.596 -24.235 1.00 0.00 C ATOM 0 H ILE A 79 2.047 0.415 -25.998 1.00 0.00 H new ATOM 0 HA ILE A 79 3.147 -0.373 -23.507 1.00 0.00 H new ATOM 0 HB ILE A 79 2.278 -1.632 -26.021 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.744 -1.890 -23.070 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.631 -1.501 -24.367 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.213 -3.815 -25.390 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.481 -2.635 -25.798 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.151 -3.034 -24.095 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.283 -3.821 -23.580 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.850 -3.814 -25.267 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.980 -4.209 -23.950 1.00 0.00 H new ATOM 1250 N ILE A 80 5.562 -0.573 -23.689 1.00 0.00 N ATOM 1251 CA ILE A 80 7.013 -0.564 -23.739 1.00 0.00 C ATOM 1252 C ILE A 80 7.535 -1.990 -23.559 1.00 0.00 C ATOM 1253 O ILE A 80 8.561 -2.356 -24.128 1.00 0.00 O ATOM 1254 CB ILE A 80 7.577 0.429 -22.722 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.612 0.624 -21.551 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.939 1.757 -23.393 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.222 1.532 -20.480 1.00 0.00 C ATOM 0 H ILE A 80 5.168 -0.706 -22.758 1.00 0.00 H new ATOM 0 HA ILE A 80 7.358 -0.219 -24.714 1.00 0.00 H new ATOM 0 HB ILE A 80 8.498 0.012 -22.314 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.680 1.058 -21.912 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.365 -0.344 -21.114 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.338 2.445 -22.647 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.690 1.582 -24.164 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.048 2.190 -23.846 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.514 1.653 -19.660 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.141 1.083 -20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.445 2.507 -20.914 1.00 0.00 H new ATOM 1269 N GLY A 81 6.803 -2.758 -22.764 1.00 0.00 N ATOM 1270 CA GLY A 81 7.179 -4.138 -22.501 1.00 0.00 C ATOM 1271 C GLY A 81 6.067 -4.875 -21.754 1.00 0.00 C ATOM 1272 O GLY A 81 4.886 -4.609 -21.970 1.00 0.00 O ATOM 0 H GLY A 81 5.952 -2.451 -22.293 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.390 -4.647 -23.442 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.096 -4.163 -21.913 1.00 0.00 H new ATOM 1276 N GLU A 82 6.484 -5.789 -20.890 1.00 0.00 N ATOM 1277 CA GLU A 82 5.539 -6.569 -20.109 1.00 0.00 C ATOM 1278 C GLU A 82 6.167 -6.987 -18.778 1.00 0.00 C ATOM 1279 O GLU A 82 7.384 -6.915 -18.612 1.00 0.00 O ATOM 1280 CB GLU A 82 5.053 -7.789 -20.893 1.00 0.00 C ATOM 1281 CG GLU A 82 5.092 -7.522 -22.401 1.00 0.00 C ATOM 1282 CD GLU A 82 4.605 -8.742 -23.186 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.066 -9.855 -22.849 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.783 -8.535 -24.104 1.00 0.00 O ATOM 0 H GLU A 82 7.465 -6.007 -20.714 1.00 0.00 H new ATOM 0 HA GLU A 82 4.671 -5.945 -19.899 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.677 -8.651 -20.656 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.036 -8.039 -20.590 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.468 -6.660 -22.638 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.109 -7.272 -22.704 1.00 0.00 H new ATOM 1291 N LEU A 83 5.309 -7.416 -17.864 1.00 0.00 N ATOM 1292 CA LEU A 83 5.765 -7.846 -16.553 1.00 0.00 C ATOM 1293 C LEU A 83 6.409 -9.229 -16.671 1.00 0.00 C ATOM 1294 O LEU A 83 5.750 -10.194 -17.054 1.00 0.00 O ATOM 1295 CB LEU A 83 4.619 -7.784 -15.541 1.00 0.00 C ATOM 1296 CG LEU A 83 5.030 -7.691 -14.069 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.479 -8.138 -13.874 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.783 -6.285 -13.520 1.00 0.00 C ATOM 0 H LEU A 83 4.301 -7.475 -18.005 1.00 0.00 H new ATOM 0 HA LEU A 83 6.531 -7.169 -16.174 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.996 -6.922 -15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.998 -8.671 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 83 4.404 -8.375 -13.495 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.744 -8.062 -12.820 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.588 -9.172 -14.202 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.139 -7.500 -14.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.083 -6.245 -12.473 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.366 -5.563 -14.092 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.723 -6.043 -13.603 1.00 0.00 H new ATOM 1310 N HIS A 84 7.690 -9.280 -16.334 1.00 0.00 N ATOM 1311 CA HIS A 84 8.430 -10.529 -16.397 1.00 0.00 C ATOM 1312 C HIS A 84 7.871 -11.510 -15.364 1.00 0.00 C ATOM 1313 O HIS A 84 6.898 -11.204 -14.675 1.00 0.00 O ATOM 1314 CB HIS A 84 9.929 -10.281 -16.227 1.00 0.00 C ATOM 1315 CG HIS A 84 10.770 -10.784 -17.377 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.153 -10.763 -17.360 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.408 -11.324 -18.576 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.594 -11.267 -18.503 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.510 -11.616 -19.255 1.00 0.00 N ATOM 0 H HIS A 84 8.233 -8.477 -16.017 1.00 0.00 H new ATOM 0 HA HIS A 84 8.304 -10.981 -17.381 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.098 -9.211 -16.107 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.264 -10.761 -15.308 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.396 -11.486 -18.915 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.629 -11.382 -18.789 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.542 -12.033 -20.186 1.00 0.00 H new ATOM 1328 N PRO A 85 8.525 -12.700 -15.288 1.00 0.00 N ATOM 1329 CA PRO A 85 8.104 -13.727 -14.351 1.00 0.00 C ATOM 1330 C PRO A 85 8.517 -13.369 -12.923 1.00 0.00 C ATOM 1331 O PRO A 85 8.406 -14.192 -12.015 1.00 0.00 O ATOM 1332 CB PRO A 85 8.752 -15.008 -14.853 1.00 0.00 C ATOM 1333 CG PRO A 85 9.880 -14.569 -15.773 1.00 0.00 C ATOM 1334 CD PRO A 85 9.681 -13.096 -16.088 1.00 0.00 C ATOM 0 HA PRO A 85 7.020 -13.836 -14.306 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.133 -15.604 -14.024 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.031 -15.628 -15.386 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.846 -14.730 -15.295 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.876 -15.159 -16.690 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.563 -12.512 -15.826 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.500 -12.939 -17.151 1.00 0.00 H new ATOM 1342 N ASP A 86 8.984 -12.138 -12.766 1.00 0.00 N ATOM 1343 CA ASP A 86 9.414 -11.661 -11.463 1.00 0.00 C ATOM 1344 C ASP A 86 8.184 -11.328 -10.615 1.00 0.00 C ATOM 1345 O ASP A 86 8.247 -11.353 -9.388 1.00 0.00 O ATOM 1346 CB ASP A 86 10.257 -10.391 -11.592 1.00 0.00 C ATOM 1347 CG ASP A 86 9.926 -9.290 -10.583 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.471 -9.365 -9.460 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.135 -8.397 -10.956 1.00 0.00 O ATOM 0 H ASP A 86 9.074 -11.457 -13.520 1.00 0.00 H new ATOM 0 HA ASP A 86 10.012 -12.445 -10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.308 -10.658 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.132 -9.991 -12.598 1.00 0.00 H new ATOM 1354 N ASP A 87 7.094 -11.026 -11.305 1.00 0.00 N ATOM 1355 CA ASP A 87 5.852 -10.688 -10.632 1.00 0.00 C ATOM 1356 C ASP A 87 4.771 -10.405 -11.676 1.00 0.00 C ATOM 1357 O ASP A 87 4.096 -9.379 -11.616 1.00 0.00 O ATOM 1358 CB ASP A 87 6.015 -9.434 -9.770 1.00 0.00 C ATOM 1359 CG ASP A 87 6.547 -9.686 -8.358 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.791 -10.292 -7.566 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.696 -9.266 -8.101 1.00 0.00 O ATOM 0 H ASP A 87 7.045 -11.008 -12.324 1.00 0.00 H new ATOM 0 HA ASP A 87 5.574 -11.529 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.690 -8.746 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.049 -8.935 -9.695 1.00 0.00 H new ATOM 1366 N ARG A 88 4.638 -11.336 -12.611 1.00 0.00 N ATOM 1367 CA ARG A 88 3.650 -11.199 -13.667 1.00 0.00 C ATOM 1368 C ARG A 88 2.353 -11.913 -13.277 1.00 0.00 C ATOM 1369 O ARG A 88 1.276 -11.325 -13.338 1.00 0.00 O ATOM 1370 CB ARG A 88 4.168 -11.783 -14.984 1.00 0.00 C ATOM 1371 CG ARG A 88 4.553 -13.254 -14.819 1.00 0.00 C ATOM 1372 CD ARG A 88 5.390 -13.738 -16.004 1.00 0.00 C ATOM 1373 NE ARG A 88 5.655 -15.189 -15.878 1.00 0.00 N ATOM 1374 CZ ARG A 88 6.157 -15.950 -16.860 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.451 -15.402 -18.048 1.00 0.00 N ATOM 1376 NH2 ARG A 88 6.364 -17.258 -16.655 1.00 0.00 N ATOM 0 H ARG A 88 5.198 -12.187 -12.658 1.00 0.00 H new ATOM 0 HA ARG A 88 3.456 -10.135 -13.804 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.402 -11.688 -15.754 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.033 -11.213 -15.323 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.115 -13.385 -13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.652 -13.862 -14.733 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.865 -13.536 -16.937 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.331 -13.190 -16.043 1.00 0.00 H new ATOM 0 HE ARG A 88 5.442 -15.638 -14.987 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.292 -14.406 -18.204 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.833 -15.981 -18.796 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.139 -17.674 -15.751 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.746 -17.837 -17.403 1.00 0.00 H new ATOM 1390 N SER A 89 2.502 -13.170 -12.885 1.00 0.00 N ATOM 1391 CA SER A 89 1.357 -13.969 -12.485 1.00 0.00 C ATOM 1392 C SER A 89 0.838 -13.497 -11.125 1.00 0.00 C ATOM 1393 O SER A 89 -0.175 -13.993 -10.637 1.00 0.00 O ATOM 1394 CB SER A 89 1.715 -15.456 -12.428 1.00 0.00 C ATOM 1395 OG SER A 89 0.556 -16.283 -12.377 1.00 0.00 O ATOM 0 H SER A 89 3.398 -13.654 -12.836 1.00 0.00 H new ATOM 0 HA SER A 89 0.573 -13.839 -13.231 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.310 -15.719 -13.303 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.335 -15.646 -11.552 1.00 0.00 H new ATOM 0 HG SER A 89 -0.124 -15.859 -11.813 1.00 0.00 H new ATOM 1401 N LYS A 90 1.558 -12.542 -10.552 1.00 0.00 N ATOM 1402 CA LYS A 90 1.183 -11.997 -9.258 1.00 0.00 C ATOM 1403 C LYS A 90 0.287 -10.774 -9.466 1.00 0.00 C ATOM 1404 O LYS A 90 -0.281 -10.248 -8.511 1.00 0.00 O ATOM 1405 CB LYS A 90 2.427 -11.713 -8.417 1.00 0.00 C ATOM 1406 CG LYS A 90 2.456 -12.594 -7.166 1.00 0.00 C ATOM 1407 CD LYS A 90 3.327 -11.968 -6.074 1.00 0.00 C ATOM 1408 CE LYS A 90 3.112 -12.669 -4.732 1.00 0.00 C ATOM 1409 NZ LYS A 90 3.763 -11.911 -3.641 1.00 0.00 N ATOM 0 H LYS A 90 2.398 -12.132 -10.960 1.00 0.00 H new ATOM 0 HA LYS A 90 0.603 -12.724 -8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.322 -11.892 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.442 -10.662 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.442 -12.734 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.840 -13.582 -7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.377 -12.034 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.089 -10.909 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.045 -12.763 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.519 -13.679 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.607 -12.401 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.784 -11.843 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.356 -10.955 -3.591 1.00 0.00 H new ATOM 1423 N ILE A 91 0.190 -10.357 -10.719 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.626 -9.205 -11.064 1.00 0.00 C ATOM 1425 C ILE A 91 -1.553 -9.572 -12.224 1.00 0.00 C ATOM 1426 O ILE A 91 -2.713 -9.164 -12.249 1.00 0.00 O ATOM 1427 CB ILE A 91 0.256 -7.987 -11.343 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.733 -7.979 -12.797 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.422 -7.918 -10.357 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.638 -6.775 -13.070 1.00 0.00 C ATOM 0 H ILE A 91 0.663 -10.796 -11.509 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.261 -8.923 -10.224 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.343 -7.089 -11.195 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.274 -8.901 -13.011 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.127 -7.951 -13.466 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.034 -7.043 -10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.035 -7.844 -9.341 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.030 -8.818 -10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.963 -6.793 -14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.087 -5.855 -12.878 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.509 -6.819 -12.417 1.00 0.00 H new ATOM 1442 N THR A 92 -1.008 -10.338 -13.157 1.00 0.00 N ATOM 1443 CA THR A 92 -1.773 -10.765 -14.317 1.00 0.00 C ATOM 1444 C THR A 92 -3.259 -10.861 -13.970 1.00 0.00 C ATOM 1445 O THR A 92 -4.100 -10.289 -14.662 1.00 0.00 O ATOM 1446 CB THR A 92 -1.178 -12.084 -14.817 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.777 -12.271 -16.095 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.657 -13.286 -14.002 1.00 0.00 C ATOM 0 H THR A 92 -0.045 -10.674 -13.134 1.00 0.00 H new ATOM 0 HA THR A 92 -1.707 -10.036 -15.124 1.00 0.00 H new ATOM 0 HB THR A 92 -0.090 -12.030 -14.780 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.446 -13.103 -16.493 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.206 -14.196 -14.397 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.364 -13.159 -12.960 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.742 -13.361 -14.067 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.538 -11.588 -12.898 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.909 -11.766 -12.451 1.00 0.00 C ATOM 1458 C LYS A 93 -5.612 -12.774 -13.364 1.00 0.00 C ATOM 1459 O LYS A 93 -5.414 -12.761 -14.578 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.623 -10.417 -12.360 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.459 -10.323 -11.083 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.328 -8.939 -10.442 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.969 -8.915 -9.053 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.100 -8.198 -8.094 1.00 0.00 N ATOM 0 H LYS A 93 -2.838 -12.061 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.930 -12.180 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.889 -9.611 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.266 -10.282 -13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.505 -10.523 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.136 -11.087 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.275 -8.668 -10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.803 -8.193 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.943 -8.429 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.139 -9.934 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.550 -8.191 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.180 -8.679 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.959 -7.220 -8.418 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.440 -13.645 -12.728 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.173 -14.657 -13.470 1.00 0.00 C ATOM 1480 C PRO A 94 -8.350 -14.037 -14.227 1.00 0.00 C ATOM 1481 O PRO A 94 -8.294 -13.879 -15.445 1.00 0.00 O ATOM 1482 CB PRO A 94 -7.607 -15.672 -12.426 1.00 0.00 C ATOM 1483 CG PRO A 94 -7.506 -14.962 -11.086 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.699 -13.690 -11.292 1.00 0.00 C ATOM 0 HA PRO A 94 -6.569 -15.133 -14.242 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.626 -16.012 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.967 -16.554 -12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.499 -14.726 -10.703 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.024 -15.604 -10.349 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.253 -12.811 -10.962 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.770 -13.714 -10.722 1.00 0.00 H new ATOM 1492 N SER A 95 -9.386 -13.704 -13.473 1.00 0.00 N ATOM 1493 CA SER A 95 -10.575 -13.106 -14.057 1.00 0.00 C ATOM 1494 C SER A 95 -11.471 -12.539 -12.955 1.00 0.00 C ATOM 1495 O SER A 95 -11.199 -12.726 -11.770 1.00 0.00 O ATOM 1496 CB SER A 95 -11.348 -14.122 -14.900 1.00 0.00 C ATOM 1497 OG SER A 95 -11.890 -15.172 -14.103 1.00 0.00 O ATOM 0 H SER A 95 -9.428 -13.837 -12.463 1.00 0.00 H new ATOM 0 HA SER A 95 -10.261 -12.295 -14.714 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.155 -13.615 -15.430 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.686 -14.545 -15.656 1.00 0.00 H new ATOM 0 HG SER A 95 -12.378 -15.800 -14.676 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.524 -11.857 -13.384 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.463 -11.262 -12.448 1.00 0.00 C ATOM 1505 C GLU A 96 -14.856 -11.179 -13.074 1.00 0.00 C ATOM 1506 O GLU A 96 -15.000 -10.768 -14.224 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.983 -9.882 -11.993 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.368 -9.621 -10.535 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.392 -10.309 -9.578 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.515 -11.545 -9.435 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -11.546 -9.585 -9.012 1.00 0.00 O ATOM 0 H GLU A 96 -12.747 -11.704 -14.367 1.00 0.00 H new ATOM 0 HA GLU A 96 -13.520 -11.900 -11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.901 -9.814 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.418 -9.113 -12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.375 -8.548 -10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.379 -9.984 -10.352 1.00 0.00 H new ATOM 1518 N SER A 97 -15.848 -11.575 -12.289 1.00 0.00 N ATOM 1519 CA SER A 97 -17.225 -11.550 -12.752 1.00 0.00 C ATOM 1520 C SER A 97 -18.062 -10.638 -11.854 1.00 0.00 C ATOM 1521 O SER A 97 -18.092 -10.817 -10.637 1.00 0.00 O ATOM 1522 CB SER A 97 -17.820 -12.960 -12.782 1.00 0.00 C ATOM 1523 OG SER A 97 -18.510 -13.222 -14.001 1.00 0.00 O ATOM 0 H SER A 97 -15.725 -11.915 -11.335 1.00 0.00 H new ATOM 0 HA SER A 97 -17.238 -11.158 -13.769 1.00 0.00 H new ATOM 0 HB2 SER A 97 -17.023 -13.693 -12.652 1.00 0.00 H new ATOM 0 HB3 SER A 97 -18.506 -13.082 -11.944 1.00 0.00 H new ATOM 0 HG SER A 97 -18.874 -14.132 -13.982 1.00 0.00 H new ATOM 1529 N ILE A 98 -18.724 -9.683 -12.488 1.00 0.00 N ATOM 1530 CA ILE A 98 -19.560 -8.742 -11.762 1.00 0.00 C ATOM 1531 C ILE A 98 -21.002 -8.857 -12.262 1.00 0.00 C ATOM 1532 O ILE A 98 -21.257 -9.477 -13.293 1.00 0.00 O ATOM 1533 CB ILE A 98 -18.986 -7.327 -11.859 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -19.170 -6.756 -13.267 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -17.522 -7.298 -11.418 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -18.073 -7.252 -14.208 1.00 0.00 C ATOM 0 H ILE A 98 -18.699 -9.540 -13.498 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.570 -8.983 -10.699 1.00 0.00 H new ATOM 0 HB ILE A 98 -19.542 -6.686 -11.175 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -20.146 -7.046 -13.656 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -19.154 -5.667 -13.226 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.138 -6.281 -11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.447 -7.635 -10.384 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.936 -7.957 -12.058 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -18.228 -6.831 -15.201 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -17.100 -6.939 -13.829 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -18.107 -8.340 -14.266 1.00 0.00 H new ATOM 1548 N ILE A 99 -21.906 -8.249 -11.508 1.00 0.00 N ATOM 1549 CA ILE A 99 -23.315 -8.274 -11.861 1.00 0.00 C ATOM 1550 C ILE A 99 -23.694 -6.949 -12.525 1.00 0.00 C ATOM 1551 O ILE A 99 -23.001 -5.946 -12.357 1.00 0.00 O ATOM 1552 CB ILE A 99 -24.168 -8.616 -10.638 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -24.088 -7.507 -9.587 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -23.780 -9.980 -10.063 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -25.376 -6.680 -9.566 1.00 0.00 C ATOM 0 H ILE A 99 -21.690 -7.736 -10.653 1.00 0.00 H new ATOM 0 HA ILE A 99 -23.512 -9.062 -12.588 1.00 0.00 H new ATOM 0 HB ILE A 99 -25.209 -8.685 -10.955 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -23.916 -7.944 -8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.238 -6.859 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -24.401 -10.199 -9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -23.930 -10.750 -10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.732 -9.964 -9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -25.294 -5.898 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -25.532 -6.225 -10.544 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -26.220 -7.327 -9.328 1.00 0.00 H new ATOM 1567 N THR A 100 -24.792 -6.987 -13.264 1.00 0.00 N ATOM 1568 CA THR A 100 -25.273 -5.802 -13.954 1.00 0.00 C ATOM 1569 C THR A 100 -26.781 -5.640 -13.750 1.00 0.00 C ATOM 1570 O THR A 100 -27.456 -6.573 -13.322 1.00 0.00 O ATOM 1571 CB THR A 100 -24.866 -5.914 -15.425 1.00 0.00 C ATOM 1572 OG1 THR A 100 -25.276 -4.672 -15.993 1.00 0.00 O ATOM 1573 CG2 THR A 100 -25.689 -6.958 -16.182 1.00 0.00 C ATOM 0 H THR A 100 -25.363 -7.821 -13.400 1.00 0.00 H new ATOM 0 HA THR A 100 -24.824 -4.897 -13.546 1.00 0.00 H new ATOM 0 HB THR A 100 -23.808 -6.168 -15.491 1.00 0.00 H new ATOM 0 HG1 THR A 100 -25.049 -4.657 -16.946 1.00 0.00 H new ATOM 0 HG21 THR A 100 -25.360 -6.997 -17.220 1.00 0.00 H new ATOM 0 HG22 THR A 100 -25.550 -7.935 -15.720 1.00 0.00 H new ATOM 0 HG23 THR A 100 -26.744 -6.686 -16.146 1.00 0.00 H new ATOM 1581 N THR A 101 -27.263 -4.448 -14.068 1.00 0.00 N ATOM 1582 CA THR A 101 -28.679 -4.151 -13.925 1.00 0.00 C ATOM 1583 C THR A 101 -29.140 -3.209 -15.037 1.00 0.00 C ATOM 1584 O THR A 101 -28.329 -2.505 -15.638 1.00 0.00 O ATOM 1585 CB THR A 101 -28.904 -3.589 -12.520 1.00 0.00 C ATOM 1586 OG1 THR A 101 -30.320 -3.613 -12.360 1.00 0.00 O ATOM 1587 CG2 THR A 101 -28.543 -2.107 -12.417 1.00 0.00 C ATOM 0 H THR A 101 -26.699 -3.676 -14.424 1.00 0.00 H new ATOM 0 HA THR A 101 -29.285 -5.051 -14.032 1.00 0.00 H new ATOM 0 HB THR A 101 -28.312 -4.157 -11.803 1.00 0.00 H new ATOM 0 HG1 THR A 101 -30.555 -3.266 -11.474 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.721 -1.759 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 101 -27.491 -1.970 -12.668 1.00 0.00 H new ATOM 0 HG23 THR A 101 -29.159 -1.534 -13.110 1.00 0.00 H new ATOM 1595 N ILE A 102 -30.443 -3.224 -15.279 1.00 0.00 N ATOM 1596 CA ILE A 102 -31.024 -2.380 -16.310 1.00 0.00 C ATOM 1597 C ILE A 102 -32.333 -1.781 -15.794 1.00 0.00 C ATOM 1598 O ILE A 102 -32.902 -2.269 -14.819 1.00 0.00 O ATOM 1599 CB ILE A 102 -31.176 -3.157 -17.617 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -31.454 -2.213 -18.788 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -32.247 -4.242 -17.489 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -30.768 -2.703 -20.064 1.00 0.00 C ATOM 0 H ILE A 102 -31.113 -3.808 -14.778 1.00 0.00 H new ATOM 0 HA ILE A 102 -30.360 -1.547 -16.539 1.00 0.00 H new ATOM 0 HB ILE A 102 -30.232 -3.660 -17.826 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -32.529 -2.141 -18.954 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -31.101 -1.211 -18.543 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -32.335 -4.780 -18.433 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -31.966 -4.939 -16.699 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -33.204 -3.781 -17.243 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -30.982 -2.013 -20.880 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -29.691 -2.751 -19.903 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -31.141 -3.695 -20.320 1.00 0.00 H new ATOM 1614 N ASP A 103 -32.774 -0.731 -16.471 1.00 0.00 N ATOM 1615 CA ASP A 103 -34.007 -0.060 -16.094 1.00 0.00 C ATOM 1616 C ASP A 103 -34.599 0.638 -17.321 1.00 0.00 C ATOM 1617 O ASP A 103 -33.943 0.741 -18.356 1.00 0.00 O ATOM 1618 CB ASP A 103 -33.751 1.002 -15.023 1.00 0.00 C ATOM 1619 CG ASP A 103 -32.471 1.817 -15.214 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -32.358 2.454 -16.284 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -31.633 1.785 -14.286 1.00 0.00 O ATOM 0 H ASP A 103 -32.299 -0.328 -17.279 1.00 0.00 H new ATOM 0 HA ASP A 103 -34.693 -0.811 -15.701 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -34.599 1.686 -15.001 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -33.710 0.513 -14.050 1.00 0.00 H new ATOM 1626 N SER A 104 -35.832 1.099 -17.162 1.00 0.00 N ATOM 1627 CA SER A 104 -36.518 1.784 -18.243 1.00 0.00 C ATOM 1628 C SER A 104 -37.496 2.813 -17.672 1.00 0.00 C ATOM 1629 O SER A 104 -37.520 3.051 -16.465 1.00 0.00 O ATOM 1630 CB SER A 104 -37.256 0.792 -19.144 1.00 0.00 C ATOM 1631 OG SER A 104 -38.377 0.206 -18.486 1.00 0.00 O ATOM 0 H SER A 104 -36.372 1.011 -16.301 1.00 0.00 H new ATOM 0 HA SER A 104 -35.773 2.298 -18.850 1.00 0.00 H new ATOM 0 HB2 SER A 104 -37.591 1.302 -20.047 1.00 0.00 H new ATOM 0 HB3 SER A 104 -36.569 0.007 -19.458 1.00 0.00 H new ATOM 0 HG SER A 104 -38.823 -0.420 -19.094 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.117 5.134 -17.379 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.681 7.101 -18.394 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.009 4.895 -20.626 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.669 2.977 -16.365 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.075 5.526 -14.120 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.740 5.845 -19.130 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.869 6.565 -19.385 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.049 6.740 -20.840 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.971 6.184 -21.478 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.153 5.640 -20.417 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.687 6.135 -22.977 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.252 7.381 -21.502 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.492 6.508 -21.369 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.161 5.030 -21.323 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.076 4.646 -21.795 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.999 4.235 -20.857 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.649 4.177 -18.282 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.306 4.199 -19.646 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.151 3.356 -19.912 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.819 2.766 -18.709 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.725 3.306 -17.722 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.534 3.104 -21.287 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.970 1.667 -18.435 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.681 1.421 -18.852 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.503 4.404 -15.629 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.488 3.481 -15.398 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.375 3.122 -13.968 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.346 3.851 -13.344 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.016 4.662 -14.368 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.366 2.094 -13.396 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.667 3.858 -11.978 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.686 3.866 -11.000 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.602 6.083 -16.437 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.829 6.185 -15.061 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.917 7.083 -14.774 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.326 7.554 -15.965 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.555 6.896 -17.012 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.524 7.403 -13.416 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.329 8.659 -16.190 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.711 8.083 -16.376 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.527 8.872 -17.371 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.105 9.996 -17.708 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.580 8.364 -17.828 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.629 6.119 -23.525 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.116 5.236 -23.210 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.113 7.015 -23.268 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.465 2.920 -21.178 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.689 3.977 -21.921 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -5.007 2.235 -21.745 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.157 1.333 -14.148 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.790 1.622 -12.510 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.440 2.603 -13.128 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.428 6.537 -12.761 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.579 7.650 -13.538 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.001 8.252 -12.975 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.172 0.509 -18.540 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.170 2.138 -19.494 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.967 3.871 -9.947 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.634 3.867 -11.284 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.160 6.701 -22.209 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.031 6.784 -20.463 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.039 7.554 -22.557 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.441 8.355 -21.051 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.228 8.066 -15.417 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.630 7.050 -16.713 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.049 9.240 -17.068 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.324 9.342 -15.341 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.489 7.739 -18.720 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.627 4.848 -21.635 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.916 2.266 -16.057 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.331 5.697 -13.085 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.403 0.897 -17.796 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.715 3.857 -11.679 1.00 0.00 H new