USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -109:sc= -4.54! USER MOD Set 1.2: A 105 HEM CMB :methyl 150:sc= -2.55! (180deg=-2.12!) USER MOD Set 2.1: A 53 GLN : amide:sc= -8.45! C(o=-19!,f=-25!) USER MOD Set 2.2: A 105 HEM CMC :methyl -30:sc= -10.4! (180deg=-7.88!) USER MOD Set 3.1: A 30 HIS : no HD1:sc= 0.129 X(o=0.26,f=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 165:sc= 0.135 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -58:sc= 0.982 USER MOD Set 4.2: A 37 THR OG1 : rot -164:sc= 1.13 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 0 (180deg=-0.0288) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 17 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -34.5! C(o=-34!,f=-37!) USER MOD Single : A 20 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.1!) 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= -0.317 USER MOD Single : A 31 TYR OH : rot -36:sc= -3.23! USER MOD Single : A 34 TYR OH : rot 180:sc= -2.49 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 20:sc= 0.529 USER MOD Single : A 61 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0534 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= -13.6! C(o=-14!,f=-12!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00294) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.04 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 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -2.07 (180deg=-2.07) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.247) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.864 3.928 -29.791 1.00 0.00 N ATOM 2 CA ALA A 1 31.185 3.335 -29.690 1.00 0.00 C ATOM 3 C ALA A 1 31.055 1.809 -29.674 1.00 0.00 C ATOM 4 O ALA A 1 31.717 1.119 -30.447 1.00 0.00 O ATOM 5 CB ALA A 1 31.893 3.871 -28.444 1.00 0.00 C ATOM 0 H1 ALA A 1 29.953 4.960 -29.887 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.374 3.543 -30.624 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.318 3.706 -28.934 1.00 0.00 H new ATOM 0 HA ALA A 1 31.793 3.606 -30.553 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.885 3.425 -28.369 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.987 4.955 -28.517 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.312 3.616 -27.557 1.00 0.00 H new ATOM 11 N GLU A 2 30.199 1.331 -28.784 1.00 0.00 N ATOM 12 CA GLU A 2 29.974 -0.099 -28.658 1.00 0.00 C ATOM 13 C GLU A 2 28.919 -0.378 -27.585 1.00 0.00 C ATOM 14 O GLU A 2 29.247 -0.506 -26.407 1.00 0.00 O ATOM 15 CB GLU A 2 31.279 -0.835 -28.348 1.00 0.00 C ATOM 16 CG GLU A 2 31.201 -2.299 -28.789 1.00 0.00 C ATOM 17 CD GLU A 2 32.583 -2.825 -29.182 1.00 0.00 C ATOM 18 OE1 GLU A 2 33.490 -2.733 -28.327 1.00 0.00 O ATOM 19 OE2 GLU A 2 32.701 -3.310 -30.328 1.00 0.00 O ATOM 0 H GLU A 2 29.653 1.907 -28.144 1.00 0.00 H new ATOM 0 HA GLU A 2 29.602 -0.473 -29.612 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.108 -0.342 -28.856 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.484 -0.784 -27.279 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.793 -2.905 -27.980 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.518 -2.393 -29.633 1.00 0.00 H new ATOM 26 N GLU A 3 27.674 -0.463 -28.030 1.00 0.00 N ATOM 27 CA GLU A 3 26.570 -0.722 -27.124 1.00 0.00 C ATOM 28 C GLU A 3 25.234 -0.515 -27.839 1.00 0.00 C ATOM 29 O GLU A 3 25.171 0.174 -28.856 1.00 0.00 O ATOM 30 CB GLU A 3 26.665 0.159 -25.876 1.00 0.00 C ATOM 31 CG GLU A 3 26.943 -0.684 -24.630 1.00 0.00 C ATOM 32 CD GLU A 3 26.118 -0.190 -23.439 1.00 0.00 C ATOM 33 OE1 GLU A 3 24.885 -0.081 -23.609 1.00 0.00 O ATOM 34 OE2 GLU A 3 26.740 0.069 -22.386 1.00 0.00 O ATOM 0 H GLU A 3 27.406 -0.357 -29.008 1.00 0.00 H new ATOM 0 HA GLU A 3 26.629 -1.761 -26.801 1.00 0.00 H new ATOM 0 HB2 GLU A 3 27.458 0.895 -26.006 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.735 0.712 -25.745 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.706 -1.728 -24.833 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.004 -0.639 -24.386 1.00 0.00 H new ATOM 41 N SER A 4 24.198 -1.126 -27.282 1.00 0.00 N ATOM 42 CA SER A 4 22.868 -1.016 -27.855 1.00 0.00 C ATOM 43 C SER A 4 21.862 -1.778 -26.990 1.00 0.00 C ATOM 44 O SER A 4 22.154 -2.872 -26.508 1.00 0.00 O ATOM 45 CB SER A 4 22.841 -1.545 -29.290 1.00 0.00 C ATOM 46 OG SER A 4 23.435 -2.836 -29.394 1.00 0.00 O ATOM 0 H SER A 4 24.254 -1.699 -26.440 1.00 0.00 H new ATOM 0 HA SER A 4 22.592 0.038 -27.880 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.810 -1.591 -29.640 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.368 -0.850 -29.943 1.00 0.00 H new ATOM 0 HG SER A 4 23.397 -3.140 -30.325 1.00 0.00 H new ATOM 52 N SER A 5 20.697 -1.170 -26.818 1.00 0.00 N ATOM 53 CA SER A 5 19.646 -1.777 -26.019 1.00 0.00 C ATOM 54 C SER A 5 18.402 -0.888 -26.029 1.00 0.00 C ATOM 55 O SER A 5 18.505 0.330 -26.174 1.00 0.00 O ATOM 56 CB SER A 5 20.115 -2.018 -24.583 1.00 0.00 C ATOM 57 OG SER A 5 20.070 -0.828 -23.799 1.00 0.00 O ATOM 0 H SER A 5 20.458 -0.263 -27.219 1.00 0.00 H new ATOM 0 HA SER A 5 19.398 -2.743 -26.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.489 -2.781 -24.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.134 -2.406 -24.595 1.00 0.00 H new ATOM 0 HG SER A 5 20.375 -1.024 -22.889 1.00 0.00 H new ATOM 63 N LYS A 6 17.253 -1.531 -25.872 1.00 0.00 N ATOM 64 CA LYS A 6 15.990 -0.812 -25.862 1.00 0.00 C ATOM 65 C LYS A 6 14.837 -1.816 -25.920 1.00 0.00 C ATOM 66 O LYS A 6 15.042 -2.983 -26.249 1.00 0.00 O ATOM 67 CB LYS A 6 15.955 0.229 -26.982 1.00 0.00 C ATOM 68 CG LYS A 6 15.902 1.648 -26.411 1.00 0.00 C ATOM 69 CD LYS A 6 14.482 2.214 -26.481 1.00 0.00 C ATOM 70 CE LYS A 6 14.504 3.715 -26.777 1.00 0.00 C ATOM 71 NZ LYS A 6 14.052 3.977 -28.161 1.00 0.00 N ATOM 0 H LYS A 6 17.171 -2.540 -25.751 1.00 0.00 H new ATOM 0 HA LYS A 6 15.880 -0.251 -24.934 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.837 0.120 -27.613 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.086 0.056 -27.617 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.244 1.640 -25.376 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.582 2.293 -26.967 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.918 1.695 -27.256 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.968 2.033 -25.537 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.859 4.240 -26.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.513 4.104 -26.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.073 5.000 -28.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.683 3.492 -28.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.081 3.623 -28.282 1.00 0.00 H new ATOM 85 N ALA A 7 13.650 -1.325 -25.595 1.00 0.00 N ATOM 86 CA ALA A 7 12.465 -2.166 -25.606 1.00 0.00 C ATOM 87 C ALA A 7 12.511 -3.123 -24.412 1.00 0.00 C ATOM 88 O ALA A 7 12.838 -4.297 -24.567 1.00 0.00 O ATOM 89 CB ALA A 7 12.374 -2.904 -26.943 1.00 0.00 C ATOM 0 H ALA A 7 13.483 -0.356 -25.323 1.00 0.00 H new ATOM 0 HA ALA A 7 11.564 -1.560 -25.507 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.485 -3.535 -26.951 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.312 -2.180 -27.755 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.260 -3.524 -27.077 1.00 0.00 H new ATOM 95 N VAL A 8 12.178 -2.583 -23.250 1.00 0.00 N ATOM 96 CA VAL A 8 12.177 -3.374 -22.030 1.00 0.00 C ATOM 97 C VAL A 8 11.708 -4.794 -22.349 1.00 0.00 C ATOM 98 O VAL A 8 12.444 -5.757 -22.138 1.00 0.00 O ATOM 99 CB VAL A 8 11.325 -2.687 -20.962 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.397 -1.644 -21.588 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.529 -3.714 -20.154 1.00 0.00 C ATOM 0 H VAL A 8 11.907 -1.608 -23.126 1.00 0.00 H new ATOM 0 HA VAL A 8 13.185 -3.449 -21.622 1.00 0.00 H new ATOM 0 HB VAL A 8 11.997 -2.169 -20.278 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.802 -1.170 -20.807 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.992 -0.888 -22.100 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.734 -2.130 -22.304 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.931 -3.200 -19.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.871 -4.271 -20.821 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.217 -4.403 -19.663 1.00 0.00 H new ATOM 111 N LYS A 9 10.486 -4.879 -22.854 1.00 0.00 N ATOM 112 CA LYS A 9 9.909 -6.166 -23.205 1.00 0.00 C ATOM 113 C LYS A 9 9.462 -6.884 -21.929 1.00 0.00 C ATOM 114 O LYS A 9 8.294 -7.245 -21.794 1.00 0.00 O ATOM 115 CB LYS A 9 10.888 -6.978 -24.057 1.00 0.00 C ATOM 116 CG LYS A 9 10.210 -7.497 -25.325 1.00 0.00 C ATOM 117 CD LYS A 9 11.022 -8.630 -25.957 1.00 0.00 C ATOM 118 CE LYS A 9 11.002 -8.534 -27.484 1.00 0.00 C ATOM 119 NZ LYS A 9 10.209 -9.641 -28.063 1.00 0.00 N ATOM 0 H LYS A 9 9.879 -4.078 -23.029 1.00 0.00 H new ATOM 0 HA LYS A 9 9.022 -6.030 -23.823 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.743 -6.358 -24.325 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.272 -7.817 -23.476 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.208 -7.853 -25.086 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.097 -6.683 -26.041 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.051 -8.588 -25.600 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.615 -9.592 -25.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.578 -7.577 -27.788 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.021 -8.568 -27.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.206 -9.561 -29.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.630 -10.551 -27.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.232 -9.591 -27.709 1.00 0.00 H new ATOM 133 N TYR A 10 10.415 -7.068 -21.028 1.00 0.00 N ATOM 134 CA TYR A 10 10.132 -7.736 -19.768 1.00 0.00 C ATOM 135 C TYR A 10 10.819 -7.021 -18.602 1.00 0.00 C ATOM 136 O TYR A 10 12.046 -7.015 -18.510 1.00 0.00 O ATOM 137 CB TYR A 10 10.714 -9.146 -19.899 1.00 0.00 C ATOM 138 CG TYR A 10 11.537 -9.364 -21.170 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.790 -8.796 -21.286 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.027 -10.128 -22.199 1.00 0.00 C ATOM 141 CE1 TYR A 10 13.565 -9.002 -22.483 1.00 0.00 C ATOM 142 CE2 TYR A 10 11.802 -10.334 -23.396 1.00 0.00 C ATOM 143 CZ TYR A 10 13.033 -9.760 -23.477 1.00 0.00 C ATOM 144 OH TYR A 10 13.765 -9.953 -24.609 1.00 0.00 O ATOM 0 H TYR A 10 11.383 -6.767 -21.144 1.00 0.00 H new ATOM 0 HA TYR A 10 9.060 -7.742 -19.569 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.342 -9.351 -19.032 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.898 -9.868 -19.879 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.189 -8.198 -20.480 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.047 -10.572 -22.107 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.547 -8.564 -22.588 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.415 -10.930 -24.209 1.00 0.00 H new ATOM 0 HH TYR A 10 13.260 -10.516 -25.233 1.00 0.00 H new ATOM 154 N TYR A 11 9.998 -6.437 -17.742 1.00 0.00 N ATOM 155 CA TYR A 11 10.510 -5.720 -16.587 1.00 0.00 C ATOM 156 C TYR A 11 9.912 -6.271 -15.290 1.00 0.00 C ATOM 157 O TYR A 11 8.987 -7.081 -15.324 1.00 0.00 O ATOM 158 CB TYR A 11 10.068 -4.267 -16.762 1.00 0.00 C ATOM 159 CG TYR A 11 11.171 -3.337 -17.270 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.300 -3.865 -17.863 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.037 -1.969 -17.134 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.338 -2.989 -18.341 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.076 -1.094 -17.612 1.00 0.00 C ATOM 164 CZ TYR A 11 13.176 -1.648 -18.192 1.00 0.00 C ATOM 165 OH TYR A 11 14.156 -0.821 -18.644 1.00 0.00 O ATOM 0 H TYR A 11 8.981 -6.446 -17.822 1.00 0.00 H new ATOM 0 HA TYR A 11 11.593 -5.822 -16.522 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.230 -4.234 -17.459 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.702 -3.892 -15.806 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.405 -4.935 -17.968 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.154 -1.556 -16.670 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.226 -3.389 -18.808 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.985 -0.022 -17.513 1.00 0.00 H new ATOM 0 HH TYR A 11 13.904 0.110 -18.471 1.00 0.00 H new ATOM 175 N THR A 12 10.466 -5.811 -14.178 1.00 0.00 N ATOM 176 CA THR A 12 9.998 -6.247 -12.874 1.00 0.00 C ATOM 177 C THR A 12 9.156 -5.152 -12.216 1.00 0.00 C ATOM 178 O THR A 12 9.387 -3.966 -12.441 1.00 0.00 O ATOM 179 CB THR A 12 11.220 -6.653 -12.046 1.00 0.00 C ATOM 180 OG1 THR A 12 11.862 -5.418 -11.746 1.00 0.00 O ATOM 181 CG2 THR A 12 12.255 -7.422 -12.870 1.00 0.00 C ATOM 0 H THR A 12 11.235 -5.141 -14.153 1.00 0.00 H new ATOM 0 HA THR A 12 9.341 -7.112 -12.958 1.00 0.00 H new ATOM 0 HB THR A 12 10.900 -7.265 -11.202 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.664 -5.588 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.101 -7.686 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.802 -8.330 -13.267 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.600 -6.798 -13.694 1.00 0.00 H new ATOM 189 N LEU A 13 8.195 -5.591 -11.416 1.00 0.00 N ATOM 190 CA LEU A 13 7.316 -4.664 -10.723 1.00 0.00 C ATOM 191 C LEU A 13 8.149 -3.523 -10.133 1.00 0.00 C ATOM 192 O LEU A 13 7.713 -2.373 -10.123 1.00 0.00 O ATOM 193 CB LEU A 13 6.464 -5.403 -9.689 1.00 0.00 C ATOM 194 CG LEU A 13 5.076 -5.845 -10.157 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.267 -6.428 -8.996 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.339 -4.696 -10.849 1.00 0.00 C ATOM 0 H LEU A 13 8.006 -6.576 -11.232 1.00 0.00 H new ATOM 0 HA LEU A 13 6.609 -4.216 -11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.013 -6.285 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.344 -4.758 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 13 5.200 -6.638 -10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.285 -6.735 -9.355 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.790 -7.292 -8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.150 -5.673 -8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.355 -5.037 -11.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.225 -3.865 -10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.911 -4.366 -11.716 1.00 0.00 H new ATOM 208 N GLU A 14 9.330 -3.882 -9.653 1.00 0.00 N ATOM 209 CA GLU A 14 10.227 -2.904 -9.062 1.00 0.00 C ATOM 210 C GLU A 14 10.625 -1.854 -10.100 1.00 0.00 C ATOM 211 O GLU A 14 10.552 -0.655 -9.835 1.00 0.00 O ATOM 212 CB GLU A 14 11.463 -3.582 -8.466 1.00 0.00 C ATOM 213 CG GLU A 14 11.515 -3.394 -6.950 1.00 0.00 C ATOM 214 CD GLU A 14 12.241 -4.560 -6.277 1.00 0.00 C ATOM 215 OE1 GLU A 14 13.293 -4.963 -6.818 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.727 -5.023 -5.236 1.00 0.00 O ATOM 0 H GLU A 14 9.687 -4.837 -9.661 1.00 0.00 H new ATOM 0 HA GLU A 14 9.701 -2.403 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.448 -4.646 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.363 -3.167 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.023 -2.459 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.502 -3.315 -6.555 1.00 0.00 H new ATOM 223 N GLU A 15 11.039 -2.342 -11.261 1.00 0.00 N ATOM 224 CA GLU A 15 11.449 -1.459 -12.340 1.00 0.00 C ATOM 225 C GLU A 15 10.326 -0.477 -12.678 1.00 0.00 C ATOM 226 O GLU A 15 10.583 0.695 -12.953 1.00 0.00 O ATOM 227 CB GLU A 15 11.865 -2.261 -13.576 1.00 0.00 C ATOM 228 CG GLU A 15 12.606 -1.375 -14.579 1.00 0.00 C ATOM 229 CD GLU A 15 13.974 -0.958 -14.038 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.998 0.000 -13.235 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.965 -1.605 -14.439 1.00 0.00 O ATOM 0 H GLU A 15 11.099 -3.337 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 15 12.316 -0.889 -12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.504 -3.092 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.982 -2.692 -14.048 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.731 -1.911 -15.520 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.011 -0.488 -14.795 1.00 0.00 H new ATOM 238 N ILE A 16 9.104 -0.988 -12.645 1.00 0.00 N ATOM 239 CA ILE A 16 7.942 -0.171 -12.944 1.00 0.00 C ATOM 240 C ILE A 16 7.676 0.777 -11.772 1.00 0.00 C ATOM 241 O ILE A 16 7.211 1.898 -11.969 1.00 0.00 O ATOM 242 CB ILE A 16 6.745 -1.052 -13.307 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.160 -2.175 -14.260 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.598 -0.213 -13.872 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.678 -3.534 -13.749 1.00 0.00 C ATOM 0 H ILE A 16 8.894 -1.959 -12.415 1.00 0.00 H new ATOM 0 HA ILE A 16 8.128 0.449 -13.821 1.00 0.00 H new ATOM 0 HB ILE A 16 6.378 -1.524 -12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.746 -1.987 -15.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.245 -2.186 -14.365 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.760 -0.864 -14.122 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.281 0.518 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.935 0.306 -14.770 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.986 -4.314 -14.445 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.113 -3.729 -12.769 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.591 -3.528 -13.669 1.00 0.00 H new ATOM 257 N GLN A 17 7.980 0.290 -10.579 1.00 0.00 N ATOM 258 CA GLN A 17 7.780 1.078 -9.375 1.00 0.00 C ATOM 259 C GLN A 17 8.697 2.303 -9.382 1.00 0.00 C ATOM 260 O GLN A 17 8.333 3.360 -8.873 1.00 0.00 O ATOM 261 CB GLN A 17 8.005 0.233 -8.120 1.00 0.00 C ATOM 262 CG GLN A 17 7.049 0.648 -7.000 1.00 0.00 C ATOM 263 CD GLN A 17 7.794 1.396 -5.892 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.825 0.966 -5.403 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.216 2.536 -5.527 1.00 0.00 N ATOM 0 H GLN A 17 8.364 -0.642 -10.420 1.00 0.00 H new ATOM 0 HA GLN A 17 6.746 1.422 -9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.858 -0.821 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.036 0.344 -7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.261 1.283 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.564 -0.236 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.352 2.837 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.636 3.109 -4.795 1.00 0.00 H new ATOM 274 N LYS A 18 9.873 2.118 -9.967 1.00 0.00 N ATOM 275 CA LYS A 18 10.846 3.192 -10.048 1.00 0.00 C ATOM 276 C LYS A 18 10.321 4.280 -10.987 1.00 0.00 C ATOM 277 O LYS A 18 10.606 5.461 -10.796 1.00 0.00 O ATOM 278 CB LYS A 18 12.218 2.645 -10.447 1.00 0.00 C ATOM 279 CG LYS A 18 12.653 1.520 -9.507 1.00 0.00 C ATOM 280 CD LYS A 18 13.468 2.068 -8.335 1.00 0.00 C ATOM 281 CE LYS A 18 14.816 2.614 -8.812 1.00 0.00 C ATOM 282 NZ LYS A 18 15.136 3.882 -8.121 1.00 0.00 N ATOM 0 H LYS A 18 10.172 1.239 -10.389 1.00 0.00 H new ATOM 0 HA LYS A 18 10.985 3.653 -9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.182 2.274 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.955 3.448 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.774 0.996 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.247 0.791 -10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.908 2.858 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.630 1.280 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.600 1.881 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.788 2.777 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.054 4.238 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.397 4.584 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.183 3.716 -7.095 1.00 0.00 H new ATOM 296 N HIS A 19 9.563 3.842 -11.982 1.00 0.00 N ATOM 297 CA HIS A 19 8.995 4.764 -12.951 1.00 0.00 C ATOM 298 C HIS A 19 7.583 5.160 -12.519 1.00 0.00 C ATOM 299 O HIS A 19 6.616 4.469 -12.833 1.00 0.00 O ATOM 300 CB HIS A 19 9.038 4.166 -14.359 1.00 0.00 C ATOM 301 CG HIS A 19 10.322 4.441 -15.105 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.353 5.096 -16.325 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.615 4.145 -14.794 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.615 5.183 -16.719 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.396 4.594 -15.769 1.00 0.00 N ATOM 0 H HIS A 19 9.329 2.861 -12.138 1.00 0.00 H new ATOM 0 HA HIS A 19 9.594 5.674 -12.986 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.894 3.088 -14.289 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.203 4.562 -14.936 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.543 5.451 -16.833 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.948 3.632 -13.904 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.964 5.640 -17.633 1.00 0.00 H new ATOM 314 N ASN A 20 7.509 6.272 -11.800 1.00 0.00 N ATOM 315 CA ASN A 20 6.230 6.768 -11.320 1.00 0.00 C ATOM 316 C ASN A 20 6.197 8.291 -11.456 1.00 0.00 C ATOM 317 O ASN A 20 5.345 8.953 -10.864 1.00 0.00 O ATOM 318 CB ASN A 20 6.024 6.421 -9.844 1.00 0.00 C ATOM 319 CG ASN A 20 4.961 7.322 -9.212 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.207 8.038 -8.255 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.770 7.247 -9.798 1.00 0.00 N ATOM 0 H ASN A 20 8.313 6.842 -11.539 1.00 0.00 H new ATOM 0 HA ASN A 20 5.443 6.303 -11.913 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.724 5.377 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.966 6.531 -9.306 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.994 7.810 -9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.632 6.627 -10.596 1.00 0.00 H new ATOM 328 N ASN A 21 7.133 8.804 -12.241 1.00 0.00 N ATOM 329 CA ASN A 21 7.220 10.239 -12.463 1.00 0.00 C ATOM 330 C ASN A 21 6.578 10.582 -13.808 1.00 0.00 C ATOM 331 O ASN A 21 6.517 9.742 -14.703 1.00 0.00 O ATOM 332 CB ASN A 21 8.678 10.700 -12.502 1.00 0.00 C ATOM 333 CG ASN A 21 9.194 11.013 -11.096 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.825 11.997 -10.475 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.064 10.122 -10.630 1.00 0.00 N ATOM 0 H ASN A 21 7.838 8.253 -12.731 1.00 0.00 H new ATOM 0 HA ASN A 21 6.704 10.741 -11.644 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.296 9.925 -12.955 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.766 11.586 -13.131 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.466 10.240 -9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.330 9.321 -11.203 1.00 0.00 H new ATOM 342 N SER A 22 6.115 11.819 -13.907 1.00 0.00 N ATOM 343 CA SER A 22 5.479 12.285 -15.128 1.00 0.00 C ATOM 344 C SER A 22 6.422 12.090 -16.316 1.00 0.00 C ATOM 345 O SER A 22 5.988 12.111 -17.467 1.00 0.00 O ATOM 346 CB SER A 22 5.070 13.755 -15.010 1.00 0.00 C ATOM 347 OG SER A 22 6.194 14.605 -14.792 1.00 0.00 O ATOM 0 H SER A 22 6.167 12.513 -13.162 1.00 0.00 H new ATOM 0 HA SER A 22 4.576 11.697 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.554 14.062 -15.920 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.363 13.870 -14.188 1.00 0.00 H new ATOM 0 HG SER A 22 5.893 15.535 -14.724 1.00 0.00 H new ATOM 353 N LYS A 23 7.694 11.905 -15.997 1.00 0.00 N ATOM 354 CA LYS A 23 8.702 11.706 -17.024 1.00 0.00 C ATOM 355 C LYS A 23 8.939 10.208 -17.218 1.00 0.00 C ATOM 356 O LYS A 23 9.257 9.761 -18.320 1.00 0.00 O ATOM 357 CB LYS A 23 9.973 12.490 -16.687 1.00 0.00 C ATOM 358 CG LYS A 23 10.763 11.801 -15.572 1.00 0.00 C ATOM 359 CD LYS A 23 12.150 12.429 -15.413 1.00 0.00 C ATOM 360 CE LYS A 23 13.201 11.643 -16.201 1.00 0.00 C ATOM 361 NZ LYS A 23 14.560 12.132 -15.878 1.00 0.00 N ATOM 0 H LYS A 23 8.050 11.889 -15.041 1.00 0.00 H new ATOM 0 HA LYS A 23 8.354 12.101 -17.979 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.596 12.580 -17.577 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.710 13.502 -16.379 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.215 11.878 -14.633 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.864 10.739 -15.796 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.127 13.462 -15.760 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.424 12.453 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.124 10.582 -15.964 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.015 11.746 -17.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.262 11.589 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.634 13.139 -16.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.740 12.012 -14.861 1.00 0.00 H new ATOM 375 N SER A 24 8.773 9.470 -16.130 1.00 0.00 N ATOM 376 CA SER A 24 8.964 8.029 -16.165 1.00 0.00 C ATOM 377 C SER A 24 7.727 7.323 -15.608 1.00 0.00 C ATOM 378 O SER A 24 7.796 6.675 -14.564 1.00 0.00 O ATOM 379 CB SER A 24 10.210 7.619 -15.379 1.00 0.00 C ATOM 380 OG SER A 24 10.673 8.665 -14.528 1.00 0.00 O ATOM 0 H SER A 24 8.508 9.843 -15.218 1.00 0.00 H new ATOM 0 HA SER A 24 9.108 7.728 -17.203 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.986 6.736 -14.780 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.002 7.340 -16.074 1.00 0.00 H new ATOM 0 HG SER A 24 11.469 8.363 -14.042 1.00 0.00 H new ATOM 386 N THR A 25 6.625 7.472 -16.328 1.00 0.00 N ATOM 387 CA THR A 25 5.374 6.856 -15.918 1.00 0.00 C ATOM 388 C THR A 25 5.260 5.446 -16.497 1.00 0.00 C ATOM 389 O THR A 25 4.989 5.279 -17.686 1.00 0.00 O ATOM 390 CB THR A 25 4.232 7.781 -16.339 1.00 0.00 C ATOM 391 OG1 THR A 25 4.793 9.089 -16.249 1.00 0.00 O ATOM 392 CG2 THR A 25 3.086 7.797 -15.325 1.00 0.00 C ATOM 0 H THR A 25 6.572 8.010 -17.193 1.00 0.00 H new ATOM 0 HA THR A 25 5.329 6.733 -14.836 1.00 0.00 H new ATOM 0 HB THR A 25 3.852 7.468 -17.311 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.107 9.248 -15.334 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.302 8.469 -15.673 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.680 6.791 -15.218 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.458 8.142 -14.360 1.00 0.00 H new ATOM 400 N TRP A 26 5.470 4.464 -15.632 1.00 0.00 N ATOM 401 CA TRP A 26 5.392 3.074 -16.043 1.00 0.00 C ATOM 402 C TRP A 26 4.340 2.381 -15.174 1.00 0.00 C ATOM 403 O TRP A 26 4.297 2.589 -13.963 1.00 0.00 O ATOM 404 CB TRP A 26 6.765 2.403 -15.968 1.00 0.00 C ATOM 405 CG TRP A 26 7.755 2.892 -17.027 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.500 3.618 -18.123 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.180 2.658 -17.045 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.649 3.868 -18.844 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.703 3.267 -18.168 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.998 1.957 -16.143 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.066 3.236 -18.492 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.356 1.934 -16.481 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.900 2.541 -17.608 1.00 0.00 C ATOM 0 H TRP A 26 5.694 4.605 -14.647 1.00 0.00 H new ATOM 0 HA TRP A 26 5.086 2.997 -17.086 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.190 2.578 -14.980 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.638 1.326 -16.074 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.517 3.965 -18.407 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.713 4.397 -19.714 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.610 1.474 -15.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.452 3.722 -19.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 12.029 1.408 -15.820 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.961 2.476 -17.800 1.00 0.00 H new ATOM 424 N LEU A 27 3.518 1.573 -15.828 1.00 0.00 N ATOM 425 CA LEU A 27 2.470 0.848 -15.130 1.00 0.00 C ATOM 426 C LEU A 27 2.211 -0.479 -15.845 1.00 0.00 C ATOM 427 O LEU A 27 2.668 -0.684 -16.967 1.00 0.00 O ATOM 428 CB LEU A 27 1.222 1.721 -14.984 1.00 0.00 C ATOM 429 CG LEU A 27 0.201 1.629 -16.119 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.898 1.552 -17.478 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.758 0.457 -15.900 1.00 0.00 C ATOM 0 H LEU A 27 3.557 1.405 -16.833 1.00 0.00 H new ATOM 0 HA LEU A 27 2.784 0.607 -14.114 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.724 1.455 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.539 2.760 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.397 2.540 -16.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.149 1.487 -18.268 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.506 2.445 -17.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.536 0.669 -17.510 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.474 0.414 -16.721 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.192 -0.474 -15.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.292 0.595 -14.960 1.00 0.00 H new ATOM 443 N ILE A 28 1.478 -1.349 -15.163 1.00 0.00 N ATOM 444 CA ILE A 28 1.153 -2.651 -15.718 1.00 0.00 C ATOM 445 C ILE A 28 -0.343 -2.707 -16.035 1.00 0.00 C ATOM 446 O ILE A 28 -1.171 -2.331 -15.207 1.00 0.00 O ATOM 447 CB ILE A 28 1.625 -3.766 -14.782 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.679 -3.248 -13.802 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.126 -4.974 -15.578 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.010 -2.993 -14.510 1.00 0.00 C ATOM 0 H ILE A 28 1.101 -1.176 -14.231 1.00 0.00 H new ATOM 0 HA ILE A 28 1.684 -2.808 -16.657 1.00 0.00 H new ATOM 0 HB ILE A 28 0.773 -4.101 -14.191 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.327 -2.326 -13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.823 -3.973 -13.001 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.456 -5.752 -14.890 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.319 -5.359 -16.201 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.961 -4.672 -16.211 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.741 -2.625 -13.790 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.371 -3.922 -14.951 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.868 -2.250 -15.294 1.00 0.00 H new ATOM 462 N LEU A 29 -0.644 -3.179 -17.236 1.00 0.00 N ATOM 463 CA LEU A 29 -2.026 -3.288 -17.672 1.00 0.00 C ATOM 464 C LEU A 29 -2.279 -4.701 -18.202 1.00 0.00 C ATOM 465 O LEU A 29 -1.614 -5.146 -19.137 1.00 0.00 O ATOM 466 CB LEU A 29 -2.358 -2.185 -18.679 1.00 0.00 C ATOM 467 CG LEU A 29 -3.649 -1.406 -18.418 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.166 -0.756 -19.702 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.704 -2.296 -17.759 1.00 0.00 C ATOM 0 H LEU A 29 0.045 -3.490 -17.921 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.704 -3.136 -16.832 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.528 -1.478 -18.701 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.421 -2.633 -19.671 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.426 -0.601 -17.718 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.084 -0.209 -19.489 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.415 -0.068 -20.089 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.368 -1.528 -20.445 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.611 -1.717 -17.585 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.931 -3.137 -18.414 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.323 -2.669 -16.808 1.00 0.00 H new ATOM 481 N HIS A 30 -3.240 -5.367 -17.581 1.00 0.00 N ATOM 482 CA HIS A 30 -3.588 -6.721 -17.979 1.00 0.00 C ATOM 483 C HIS A 30 -2.493 -7.688 -17.526 1.00 0.00 C ATOM 484 O HIS A 30 -2.778 -8.710 -16.905 1.00 0.00 O ATOM 485 CB HIS A 30 -3.858 -6.794 -19.483 1.00 0.00 C ATOM 486 CG HIS A 30 -4.653 -8.006 -19.907 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.062 -9.162 -20.381 1.00 0.00 N ATOM 488 CD2 HIS A 30 -6.000 -8.227 -19.922 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.017 -10.034 -20.667 1.00 0.00 C ATOM 490 NE2 HIS A 30 -6.217 -9.454 -20.382 1.00 0.00 N ATOM 0 H HIS A 30 -3.789 -4.995 -16.806 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.514 -7.020 -17.488 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.394 -5.896 -19.789 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.906 -6.794 -20.013 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.759 -7.524 -19.613 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.871 -11.030 -21.058 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.131 -9.890 -20.502 1.00 0.00 H new ATOM 499 N TYR A 31 -1.259 -7.329 -17.854 1.00 0.00 N ATOM 500 CA TYR A 31 -0.119 -8.152 -17.488 1.00 0.00 C ATOM 501 C TYR A 31 1.181 -7.564 -18.043 1.00 0.00 C ATOM 502 O TYR A 31 2.269 -7.929 -17.602 1.00 0.00 O ATOM 503 CB TYR A 31 -0.361 -9.518 -18.131 1.00 0.00 C ATOM 504 CG TYR A 31 0.747 -9.961 -19.090 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.944 -10.433 -18.589 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.550 -9.887 -20.454 1.00 0.00 C ATOM 507 CE1 TYR A 31 2.986 -10.850 -19.491 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.593 -10.304 -21.355 1.00 0.00 C ATOM 509 CZ TYR A 31 2.760 -10.764 -20.828 1.00 0.00 C ATOM 510 OH TYR A 31 3.745 -11.158 -21.679 1.00 0.00 O ATOM 0 H TYR A 31 -1.025 -6.480 -18.369 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.021 -8.212 -16.404 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.466 -10.265 -17.344 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.306 -9.491 -18.673 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.099 -10.489 -17.522 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.386 -9.517 -20.845 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.926 -11.223 -19.113 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.452 -10.253 -22.425 1.00 0.00 H new ATOM 0 HH TYR A 31 4.618 -10.919 -21.302 1.00 0.00 H new ATOM 520 N LYS A 32 1.024 -6.663 -19.001 1.00 0.00 N ATOM 521 CA LYS A 32 2.171 -6.021 -19.620 1.00 0.00 C ATOM 522 C LYS A 32 2.387 -4.646 -18.983 1.00 0.00 C ATOM 523 O LYS A 32 1.547 -4.177 -18.215 1.00 0.00 O ATOM 524 CB LYS A 32 2.004 -5.975 -21.140 1.00 0.00 C ATOM 525 CG LYS A 32 0.655 -5.365 -21.525 1.00 0.00 C ATOM 526 CD LYS A 32 -0.107 -6.282 -22.484 1.00 0.00 C ATOM 527 CE LYS A 32 -1.371 -6.837 -21.825 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.005 -7.855 -22.693 1.00 0.00 N ATOM 0 H LYS A 32 0.120 -6.362 -19.364 1.00 0.00 H new ATOM 0 HA LYS A 32 3.075 -6.602 -19.439 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.811 -5.389 -21.581 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.081 -6.983 -21.549 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.059 -5.195 -20.628 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.811 -4.393 -21.993 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.375 -5.730 -23.385 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.537 -7.105 -22.794 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.121 -7.278 -20.860 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.074 -6.026 -21.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.699 -8.398 -22.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.485 -7.384 -23.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.276 -8.499 -23.062 1.00 0.00 H new ATOM 542 N VAL A 33 3.514 -4.041 -19.326 1.00 0.00 N ATOM 543 CA VAL A 33 3.850 -2.731 -18.796 1.00 0.00 C ATOM 544 C VAL A 33 3.794 -1.700 -19.925 1.00 0.00 C ATOM 545 O VAL A 33 4.389 -1.902 -20.984 1.00 0.00 O ATOM 546 CB VAL A 33 5.211 -2.780 -18.098 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.518 -4.192 -17.597 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.320 -2.273 -19.022 1.00 0.00 C ATOM 0 H VAL A 33 4.206 -4.434 -19.964 1.00 0.00 H new ATOM 0 HA VAL A 33 3.125 -2.428 -18.041 1.00 0.00 H new ATOM 0 HB VAL A 33 5.168 -2.119 -17.233 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.491 -4.200 -17.105 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.750 -4.502 -16.888 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.533 -4.882 -18.440 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.277 -2.318 -18.501 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.363 -2.897 -19.915 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.112 -1.242 -19.309 1.00 0.00 H new ATOM 558 N TYR A 34 3.077 -0.619 -19.662 1.00 0.00 N ATOM 559 CA TYR A 34 2.936 0.444 -20.644 1.00 0.00 C ATOM 560 C TYR A 34 3.634 1.721 -20.172 1.00 0.00 C ATOM 561 O TYR A 34 3.721 1.979 -18.974 1.00 0.00 O ATOM 562 CB TYR A 34 1.435 0.712 -20.764 1.00 0.00 C ATOM 563 CG TYR A 34 0.604 -0.531 -21.084 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.508 -1.554 -20.163 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.050 -0.631 -22.296 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.274 -2.725 -20.464 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.831 -1.802 -22.597 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.905 -2.792 -21.667 1.00 0.00 C ATOM 569 OH TYR A 34 -1.644 -3.897 -21.953 1.00 0.00 O ATOM 0 H TYR A 34 2.587 -0.455 -18.783 1.00 0.00 H new ATOM 0 HA TYR A 34 3.385 0.152 -21.593 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.078 1.144 -19.829 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.271 1.457 -21.543 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.020 -1.476 -19.215 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.024 0.169 -23.018 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.358 -3.532 -19.751 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.347 -1.893 -23.541 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.037 -3.805 -22.846 1.00 0.00 H new ATOM 579 N ASP A 35 4.114 2.487 -21.142 1.00 0.00 N ATOM 580 CA ASP A 35 4.802 3.732 -20.841 1.00 0.00 C ATOM 581 C ASP A 35 3.772 4.846 -20.652 1.00 0.00 C ATOM 582 O ASP A 35 3.460 5.575 -21.593 1.00 0.00 O ATOM 583 CB ASP A 35 5.733 4.136 -21.986 1.00 0.00 C ATOM 584 CG ASP A 35 7.112 4.637 -21.552 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.197 5.152 -20.415 1.00 0.00 O ATOM 586 OD2 ASP A 35 8.049 4.495 -22.366 1.00 0.00 O ATOM 0 H ASP A 35 4.040 2.270 -22.136 1.00 0.00 H new ATOM 0 HA ASP A 35 5.389 3.583 -19.935 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.866 3.279 -22.646 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.247 4.917 -22.571 1.00 0.00 H new ATOM 591 N LEU A 36 3.271 4.944 -19.430 1.00 0.00 N ATOM 592 CA LEU A 36 2.281 5.958 -19.105 1.00 0.00 C ATOM 593 C LEU A 36 2.784 7.325 -19.576 1.00 0.00 C ATOM 594 O LEU A 36 1.994 8.241 -19.790 1.00 0.00 O ATOM 595 CB LEU A 36 1.934 5.911 -17.616 1.00 0.00 C ATOM 596 CG LEU A 36 0.968 4.803 -17.189 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.223 5.189 -15.910 1.00 0.00 C ATOM 598 CD2 LEU A 36 0.009 4.443 -18.324 1.00 0.00 C ATOM 0 H LEU A 36 3.532 4.338 -18.652 1.00 0.00 H new ATOM 0 HA LEU A 36 1.348 5.761 -19.632 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.859 5.798 -17.051 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.503 6.871 -17.333 1.00 0.00 H new ATOM 0 HG LEU A 36 1.551 3.909 -16.966 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.457 4.385 -15.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.941 5.355 -15.107 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.347 6.102 -16.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.666 3.654 -17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.571 5.323 -18.603 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.579 4.096 -19.186 1.00 0.00 H new ATOM 610 N THR A 37 4.098 7.418 -19.722 1.00 0.00 N ATOM 611 CA THR A 37 4.716 8.656 -20.163 1.00 0.00 C ATOM 612 C THR A 37 4.199 9.047 -21.548 1.00 0.00 C ATOM 613 O THR A 37 4.421 10.168 -22.004 1.00 0.00 O ATOM 614 CB THR A 37 6.234 8.471 -20.112 1.00 0.00 C ATOM 615 OG1 THR A 37 6.582 8.829 -18.777 1.00 0.00 O ATOM 616 CG2 THR A 37 6.978 9.490 -20.977 1.00 0.00 C ATOM 0 H THR A 37 4.751 6.656 -19.542 1.00 0.00 H new ATOM 0 HA THR A 37 4.452 9.485 -19.506 1.00 0.00 H new ATOM 0 HB THR A 37 6.488 7.463 -20.440 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.547 8.989 -18.722 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.051 9.314 -20.905 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.662 9.386 -22.015 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.751 10.498 -20.628 1.00 0.00 H new ATOM 624 N LYS A 38 3.516 8.102 -22.178 1.00 0.00 N ATOM 625 CA LYS A 38 2.965 8.335 -23.502 1.00 0.00 C ATOM 626 C LYS A 38 1.458 8.576 -23.387 1.00 0.00 C ATOM 627 O LYS A 38 0.821 9.018 -24.341 1.00 0.00 O ATOM 628 CB LYS A 38 3.333 7.186 -24.444 1.00 0.00 C ATOM 629 CG LYS A 38 4.754 7.354 -24.983 1.00 0.00 C ATOM 630 CD LYS A 38 4.780 7.236 -26.508 1.00 0.00 C ATOM 631 CE LYS A 38 4.603 8.606 -27.166 1.00 0.00 C ATOM 632 NZ LYS A 38 4.110 8.454 -28.553 1.00 0.00 N ATOM 0 H LYS A 38 3.332 7.174 -21.796 1.00 0.00 H new ATOM 0 HA LYS A 38 3.399 9.232 -23.944 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.251 6.237 -23.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.627 7.151 -25.274 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.148 8.325 -24.683 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.405 6.597 -24.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.725 6.795 -26.826 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.987 6.565 -26.838 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.900 9.206 -26.588 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.553 9.141 -27.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.995 9.393 -28.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.794 7.899 -29.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.193 7.963 -28.544 1.00 0.00 H new ATOM 646 N PHE A 39 0.931 8.278 -22.208 1.00 0.00 N ATOM 647 CA PHE A 39 -0.489 8.457 -21.955 1.00 0.00 C ATOM 648 C PHE A 39 -0.757 9.792 -21.258 1.00 0.00 C ATOM 649 O PHE A 39 -1.894 10.093 -20.901 1.00 0.00 O ATOM 650 CB PHE A 39 -0.927 7.317 -21.035 1.00 0.00 C ATOM 651 CG PHE A 39 -0.684 5.922 -21.613 1.00 0.00 C ATOM 652 CD1 PHE A 39 0.586 5.464 -21.777 1.00 0.00 C ATOM 653 CD2 PHE A 39 -1.739 5.137 -21.964 1.00 0.00 C ATOM 654 CE1 PHE A 39 0.812 4.169 -22.314 1.00 0.00 C ATOM 655 CE2 PHE A 39 -1.515 3.843 -22.501 1.00 0.00 C ATOM 656 CZ PHE A 39 -0.244 3.386 -22.665 1.00 0.00 C ATOM 0 H PHE A 39 1.462 7.914 -21.417 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.038 8.453 -22.896 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.395 7.404 -20.087 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.989 7.428 -20.816 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.424 6.086 -21.498 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.748 5.500 -21.834 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.821 3.806 -22.444 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.353 3.221 -22.779 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.073 2.401 -23.074 1.00 0.00 H new ATOM 666 N LEU A 40 0.311 10.559 -21.085 1.00 0.00 N ATOM 667 CA LEU A 40 0.205 11.853 -20.436 1.00 0.00 C ATOM 668 C LEU A 40 -0.267 12.892 -21.456 1.00 0.00 C ATOM 669 O LEU A 40 -0.011 14.085 -21.297 1.00 0.00 O ATOM 670 CB LEU A 40 1.525 12.220 -19.752 1.00 0.00 C ATOM 671 CG LEU A 40 1.587 11.978 -18.244 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.919 10.517 -17.936 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.569 12.941 -17.574 1.00 0.00 C ATOM 0 H LEU A 40 1.253 10.308 -21.384 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.541 11.821 -19.642 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.327 11.652 -20.225 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.728 13.274 -19.940 1.00 0.00 H new ATOM 0 HG LEU A 40 0.601 12.180 -17.826 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.957 10.372 -16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.151 9.872 -18.362 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.886 10.264 -18.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.594 12.747 -16.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.565 12.795 -17.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.249 13.968 -17.750 1.00 0.00 H new ATOM 685 N GLU A 41 -0.950 12.401 -22.479 1.00 0.00 N ATOM 686 CA GLU A 41 -1.461 13.273 -23.525 1.00 0.00 C ATOM 687 C GLU A 41 -2.979 13.419 -23.398 1.00 0.00 C ATOM 688 O GLU A 41 -3.482 14.511 -23.137 1.00 0.00 O ATOM 689 CB GLU A 41 -1.074 12.751 -24.910 1.00 0.00 C ATOM 690 CG GLU A 41 -0.880 13.907 -25.896 1.00 0.00 C ATOM 691 CD GLU A 41 -0.595 13.383 -27.304 1.00 0.00 C ATOM 692 OE1 GLU A 41 -1.301 12.435 -27.711 1.00 0.00 O ATOM 693 OE2 GLU A 41 0.324 13.942 -27.943 1.00 0.00 O ATOM 0 H GLU A 41 -1.162 11.411 -22.607 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.009 14.258 -23.405 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.155 12.170 -24.840 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.849 12.079 -25.279 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.773 14.532 -25.910 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.055 14.538 -25.565 1.00 0.00 H new ATOM 700 N GLU A 42 -3.668 12.303 -23.588 1.00 0.00 N ATOM 701 CA GLU A 42 -5.117 12.294 -23.498 1.00 0.00 C ATOM 702 C GLU A 42 -5.558 11.916 -22.083 1.00 0.00 C ATOM 703 O GLU A 42 -4.900 12.272 -21.107 1.00 0.00 O ATOM 704 CB GLU A 42 -5.725 11.344 -24.534 1.00 0.00 C ATOM 705 CG GLU A 42 -7.065 11.877 -25.044 1.00 0.00 C ATOM 706 CD GLU A 42 -7.817 10.803 -25.833 1.00 0.00 C ATOM 707 OE1 GLU A 42 -7.421 10.572 -26.997 1.00 0.00 O ATOM 708 OE2 GLU A 42 -8.769 10.236 -25.255 1.00 0.00 O ATOM 0 H GLU A 42 -3.249 11.399 -23.804 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.482 13.298 -23.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.036 11.222 -25.370 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.866 10.358 -24.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.673 12.208 -24.202 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.897 12.748 -25.677 1.00 0.00 H new ATOM 715 N HIS A 43 -6.671 11.199 -22.015 1.00 0.00 N ATOM 716 CA HIS A 43 -7.208 10.769 -20.737 1.00 0.00 C ATOM 717 C HIS A 43 -8.100 11.871 -20.157 1.00 0.00 C ATOM 718 O HIS A 43 -7.627 12.970 -19.873 1.00 0.00 O ATOM 719 CB HIS A 43 -6.084 10.354 -19.787 1.00 0.00 C ATOM 720 CG HIS A 43 -6.347 9.063 -19.050 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.420 8.038 -18.979 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.439 8.642 -18.350 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.942 7.049 -18.270 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.194 7.425 -17.880 1.00 0.00 N ATOM 0 H HIS A 43 -7.215 10.905 -22.826 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.829 9.885 -20.879 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.160 10.253 -20.356 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.925 11.150 -19.059 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.492 8.043 -19.401 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.349 9.204 -18.203 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.461 6.110 -18.041 1.00 0.00 H new ATOM 733 N PRO A 44 -9.405 11.528 -19.996 1.00 0.00 N ATOM 734 CA PRO A 44 -10.366 12.475 -19.455 1.00 0.00 C ATOM 735 C PRO A 44 -10.185 12.638 -17.945 1.00 0.00 C ATOM 736 O PRO A 44 -10.976 13.316 -17.291 1.00 0.00 O ATOM 737 CB PRO A 44 -11.726 11.915 -19.834 1.00 0.00 C ATOM 738 CG PRO A 44 -11.498 10.449 -20.163 1.00 0.00 C ATOM 739 CD PRO A 44 -10.000 10.235 -20.321 1.00 0.00 C ATOM 0 HA PRO A 44 -10.238 13.480 -19.857 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.436 12.025 -19.014 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.142 12.447 -20.690 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.893 9.814 -19.370 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.021 10.177 -21.080 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.639 9.454 -19.652 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.749 9.927 -21.336 1.00 0.00 H new ATOM 747 N GLY A 45 -9.139 12.004 -17.434 1.00 0.00 N ATOM 748 CA GLY A 45 -8.846 12.069 -16.013 1.00 0.00 C ATOM 749 C GLY A 45 -7.689 13.032 -15.737 1.00 0.00 C ATOM 750 O GLY A 45 -7.781 13.879 -14.849 1.00 0.00 O ATOM 0 H GLY A 45 -8.484 11.443 -17.979 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.733 12.395 -15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.593 11.075 -15.644 1.00 0.00 H new ATOM 754 N GLY A 46 -6.628 12.870 -16.513 1.00 0.00 N ATOM 755 CA GLY A 46 -5.454 13.713 -16.362 1.00 0.00 C ATOM 756 C GLY A 46 -4.188 12.869 -16.209 1.00 0.00 C ATOM 757 O GLY A 46 -4.247 11.736 -15.735 1.00 0.00 O ATOM 0 H GLY A 46 -6.556 12.167 -17.249 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.357 14.366 -17.229 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.574 14.356 -15.490 1.00 0.00 H new ATOM 761 N GLU A 47 -3.073 13.454 -16.618 1.00 0.00 N ATOM 762 CA GLU A 47 -1.793 12.770 -16.533 1.00 0.00 C ATOM 763 C GLU A 47 -1.720 11.940 -15.250 1.00 0.00 C ATOM 764 O GLU A 47 -1.312 10.780 -15.278 1.00 0.00 O ATOM 765 CB GLU A 47 -0.633 13.764 -16.609 1.00 0.00 C ATOM 766 CG GLU A 47 -0.441 14.275 -18.039 1.00 0.00 C ATOM 767 CD GLU A 47 -1.177 15.599 -18.251 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.086 15.880 -17.441 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.814 16.301 -19.219 1.00 0.00 O ATOM 0 H GLU A 47 -3.028 14.395 -17.010 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.706 12.096 -17.385 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.825 14.604 -15.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.284 13.286 -16.264 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.622 14.409 -18.242 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.809 13.533 -18.747 1.00 0.00 H new ATOM 776 N GLU A 48 -2.125 12.566 -14.154 1.00 0.00 N ATOM 777 CA GLU A 48 -2.111 11.899 -12.863 1.00 0.00 C ATOM 778 C GLU A 48 -2.881 10.579 -12.938 1.00 0.00 C ATOM 779 O GLU A 48 -2.406 9.550 -12.460 1.00 0.00 O ATOM 780 CB GLU A 48 -2.682 12.806 -11.772 1.00 0.00 C ATOM 781 CG GLU A 48 -1.815 12.762 -10.514 1.00 0.00 C ATOM 782 CD GLU A 48 -2.681 12.694 -9.252 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.455 13.653 -9.044 1.00 0.00 O ATOM 784 OE2 GLU A 48 -2.547 11.686 -8.526 1.00 0.00 O ATOM 0 H GLU A 48 -2.465 13.528 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.076 11.678 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.743 13.830 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.698 12.494 -11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.155 11.896 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.179 13.646 -10.475 1.00 0.00 H new ATOM 791 N VAL A 49 -4.057 10.651 -13.545 1.00 0.00 N ATOM 792 CA VAL A 49 -4.898 9.475 -13.688 1.00 0.00 C ATOM 793 C VAL A 49 -4.023 8.266 -14.026 1.00 0.00 C ATOM 794 O VAL A 49 -4.375 7.132 -13.705 1.00 0.00 O ATOM 795 CB VAL A 49 -5.987 9.734 -14.733 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.427 9.606 -16.151 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.179 8.798 -14.526 1.00 0.00 C ATOM 0 H VAL A 49 -4.447 11.505 -13.943 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.410 9.256 -12.751 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.340 10.757 -14.604 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.221 9.795 -16.874 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.627 10.332 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.034 8.600 -16.298 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.938 9.003 -15.281 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.849 7.763 -14.615 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.601 8.960 -13.534 1.00 0.00 H new ATOM 807 N LEU A 50 -2.900 8.550 -14.668 1.00 0.00 N ATOM 808 CA LEU A 50 -1.971 7.500 -15.051 1.00 0.00 C ATOM 809 C LEU A 50 -0.777 7.506 -14.095 1.00 0.00 C ATOM 810 O LEU A 50 -0.237 6.451 -13.763 1.00 0.00 O ATOM 811 CB LEU A 50 -1.579 7.643 -16.524 1.00 0.00 C ATOM 812 CG LEU A 50 -2.735 7.679 -17.525 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.686 8.953 -18.372 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.752 6.417 -18.389 1.00 0.00 C ATOM 0 H LEU A 50 -2.612 9.492 -14.933 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.445 6.522 -14.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.998 8.558 -16.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.923 6.814 -16.787 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.671 7.699 -16.966 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.518 8.954 -19.076 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.759 9.825 -17.722 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.746 8.988 -18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.584 6.468 -19.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.815 6.341 -18.940 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.870 5.541 -17.751 1.00 0.00 H new ATOM 826 N ARG A 51 -0.400 8.705 -13.676 1.00 0.00 N ATOM 827 CA ARG A 51 0.719 8.862 -12.762 1.00 0.00 C ATOM 828 C ARG A 51 0.382 8.250 -11.401 1.00 0.00 C ATOM 829 O ARG A 51 1.219 7.583 -10.792 1.00 0.00 O ATOM 830 CB ARG A 51 1.076 10.337 -12.576 1.00 0.00 C ATOM 831 CG ARG A 51 2.577 10.513 -12.340 1.00 0.00 C ATOM 832 CD ARG A 51 2.870 10.811 -10.869 1.00 0.00 C ATOM 833 NE ARG A 51 3.627 12.078 -10.750 1.00 0.00 N ATOM 834 CZ ARG A 51 3.937 12.660 -9.585 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.558 12.095 -8.430 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.628 13.810 -9.572 1.00 0.00 N ATOM 0 H ARG A 51 -0.850 9.578 -13.953 1.00 0.00 H new ATOM 0 HA ARG A 51 1.576 8.345 -13.195 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.774 10.902 -13.458 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.521 10.745 -11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.105 9.609 -12.644 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.953 11.326 -12.961 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.936 10.882 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.442 9.993 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 51 3.931 12.536 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.033 11.221 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.795 12.539 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.917 14.241 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.864 14.253 -8.684 1.00 0.00 H new ATOM 850 N GLU A 52 -0.844 8.497 -10.963 1.00 0.00 N ATOM 851 CA GLU A 52 -1.300 7.979 -9.685 1.00 0.00 C ATOM 852 C GLU A 52 -1.281 6.449 -9.695 1.00 0.00 C ATOM 853 O GLU A 52 -1.361 5.817 -8.642 1.00 0.00 O ATOM 854 CB GLU A 52 -2.696 8.508 -9.346 1.00 0.00 C ATOM 855 CG GLU A 52 -3.734 7.991 -10.344 1.00 0.00 C ATOM 856 CD GLU A 52 -5.004 7.531 -9.625 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.891 6.570 -8.833 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.058 8.150 -9.882 1.00 0.00 O ATOM 0 H GLU A 52 -1.535 9.049 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.617 8.326 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.971 8.200 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.688 9.598 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.980 8.777 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.314 7.162 -10.914 1.00 0.00 H new ATOM 865 N GLN A 53 -1.173 5.898 -10.895 1.00 0.00 N ATOM 866 CA GLN A 53 -1.143 4.454 -11.055 1.00 0.00 C ATOM 867 C GLN A 53 0.261 3.994 -11.454 1.00 0.00 C ATOM 868 O GLN A 53 0.615 2.832 -11.263 1.00 0.00 O ATOM 869 CB GLN A 53 -2.182 3.995 -12.080 1.00 0.00 C ATOM 870 CG GLN A 53 -1.961 4.680 -13.430 1.00 0.00 C ATOM 871 CD GLN A 53 -3.016 4.239 -14.448 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.876 3.238 -15.131 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.077 5.041 -14.508 1.00 0.00 N ATOM 0 H GLN A 53 -1.105 6.425 -11.766 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.397 3.996 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.123 2.914 -12.203 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.184 4.220 -11.714 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.002 5.762 -13.304 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.966 4.440 -13.805 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.129 5.863 -13.907 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.838 4.833 -15.155 1.00 0.00 H new ATOM 882 N ALA A 54 1.024 4.931 -11.999 1.00 0.00 N ATOM 883 CA ALA A 54 2.381 4.637 -12.425 1.00 0.00 C ATOM 884 C ALA A 54 3.215 4.229 -11.209 1.00 0.00 C ATOM 885 O ALA A 54 3.199 4.909 -10.185 1.00 0.00 O ATOM 886 CB ALA A 54 2.963 5.851 -13.152 1.00 0.00 C ATOM 0 H ALA A 54 0.727 5.894 -12.155 1.00 0.00 H new ATOM 0 HA ALA A 54 2.391 3.803 -13.126 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.981 5.630 -13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.351 6.081 -14.024 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.972 6.708 -12.479 1.00 0.00 H new ATOM 892 N GLY A 55 3.927 3.121 -11.364 1.00 0.00 N ATOM 893 CA GLY A 55 4.767 2.616 -10.292 1.00 0.00 C ATOM 894 C GLY A 55 4.375 1.185 -9.918 1.00 0.00 C ATOM 895 O GLY A 55 4.752 0.691 -8.857 1.00 0.00 O ATOM 0 H GLY A 55 3.939 2.560 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.812 2.642 -10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.676 3.262 -9.419 1.00 0.00 H new ATOM 899 N GLY A 56 3.621 0.559 -10.810 1.00 0.00 N ATOM 900 CA GLY A 56 3.175 -0.806 -10.587 1.00 0.00 C ATOM 901 C GLY A 56 1.942 -1.126 -11.436 1.00 0.00 C ATOM 902 O GLY A 56 1.533 -0.320 -12.269 1.00 0.00 O ATOM 0 H GLY A 56 3.308 0.972 -11.688 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.979 -1.500 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.941 -0.948 -9.532 1.00 0.00 H new ATOM 906 N ASP A 57 1.386 -2.304 -11.193 1.00 0.00 N ATOM 907 CA ASP A 57 0.209 -2.739 -11.925 1.00 0.00 C ATOM 908 C ASP A 57 -0.957 -1.798 -11.615 1.00 0.00 C ATOM 909 O ASP A 57 -1.218 -1.489 -10.453 1.00 0.00 O ATOM 910 CB ASP A 57 -0.203 -4.154 -11.514 1.00 0.00 C ATOM 911 CG ASP A 57 -1.712 -4.411 -11.507 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.398 -3.784 -12.342 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.143 -5.230 -10.668 1.00 0.00 O ATOM 0 H ASP A 57 1.728 -2.970 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 57 0.450 -2.728 -12.988 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.269 -4.865 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.190 -4.356 -10.517 1.00 0.00 H new ATOM 918 N ALA A 58 -1.626 -1.368 -12.675 1.00 0.00 N ATOM 919 CA ALA A 58 -2.758 -0.468 -12.530 1.00 0.00 C ATOM 920 C ALA A 58 -4.035 -1.186 -12.969 1.00 0.00 C ATOM 921 O ALA A 58 -5.140 -0.741 -12.661 1.00 0.00 O ATOM 922 CB ALA A 58 -2.501 0.809 -13.334 1.00 0.00 C ATOM 0 H ALA A 58 -1.406 -1.626 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.886 -0.177 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.350 1.484 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.599 1.297 -12.964 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.371 0.556 -14.386 1.00 0.00 H new ATOM 928 N THR A 59 -3.842 -2.287 -13.681 1.00 0.00 N ATOM 929 CA THR A 59 -4.965 -3.073 -14.166 1.00 0.00 C ATOM 930 C THR A 59 -5.972 -3.313 -13.041 1.00 0.00 C ATOM 931 O THR A 59 -7.168 -3.080 -13.213 1.00 0.00 O ATOM 932 CB THR A 59 -4.412 -4.364 -14.772 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.368 -4.716 -15.768 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.448 -5.534 -13.789 1.00 0.00 C ATOM 0 H THR A 59 -2.924 -2.654 -13.934 1.00 0.00 H new ATOM 0 HA THR A 59 -5.514 -2.541 -14.943 1.00 0.00 H new ATOM 0 HB THR A 59 -3.386 -4.200 -15.102 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.901 -3.928 -16.003 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.044 -6.425 -14.269 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.848 -5.291 -12.912 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.477 -5.721 -13.484 1.00 0.00 H new ATOM 942 N GLU A 60 -5.453 -3.776 -11.913 1.00 0.00 N ATOM 943 CA GLU A 60 -6.292 -4.051 -10.760 1.00 0.00 C ATOM 944 C GLU A 60 -7.292 -2.912 -10.547 1.00 0.00 C ATOM 945 O GLU A 60 -8.393 -3.133 -10.046 1.00 0.00 O ATOM 946 CB GLU A 60 -5.445 -4.276 -9.505 1.00 0.00 C ATOM 947 CG GLU A 60 -5.615 -5.704 -8.979 1.00 0.00 C ATOM 948 CD GLU A 60 -6.110 -5.699 -7.531 1.00 0.00 C ATOM 949 OE1 GLU A 60 -7.041 -4.912 -7.254 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.547 -6.481 -6.736 1.00 0.00 O ATOM 0 H GLU A 60 -4.461 -3.968 -11.774 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.849 -4.968 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.395 -4.091 -9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.735 -3.563 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.323 -6.245 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.664 -6.234 -9.040 1.00 0.00 H new ATOM 957 N ASN A 61 -6.872 -1.718 -10.939 1.00 0.00 N ATOM 958 CA ASN A 61 -7.717 -0.544 -10.798 1.00 0.00 C ATOM 959 C ASN A 61 -8.395 -0.245 -12.137 1.00 0.00 C ATOM 960 O ASN A 61 -9.616 -0.121 -12.203 1.00 0.00 O ATOM 961 CB ASN A 61 -6.893 0.683 -10.401 1.00 0.00 C ATOM 962 CG ASN A 61 -7.477 1.357 -9.158 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.572 1.895 -9.168 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.688 1.296 -8.088 1.00 0.00 N ATOM 0 H ASN A 61 -5.958 -1.538 -11.354 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.454 -0.750 -10.022 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.862 0.386 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.870 1.393 -11.227 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.989 1.715 -7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.783 0.830 -8.148 1.00 0.00 H new ATOM 971 N PHE A 62 -7.571 -0.138 -13.170 1.00 0.00 N ATOM 972 CA PHE A 62 -8.077 0.144 -14.503 1.00 0.00 C ATOM 973 C PHE A 62 -9.209 -0.816 -14.874 1.00 0.00 C ATOM 974 O PHE A 62 -9.988 -0.539 -15.785 1.00 0.00 O ATOM 975 CB PHE A 62 -6.913 -0.060 -15.474 1.00 0.00 C ATOM 976 CG PHE A 62 -7.284 -0.844 -16.734 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.551 -2.175 -16.653 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.344 -0.212 -17.937 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.896 -2.904 -17.822 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.689 -0.940 -19.106 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.957 -2.271 -19.024 1.00 0.00 C ATOM 0 H PHE A 62 -6.558 -0.241 -13.111 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.470 1.160 -14.545 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.522 0.915 -15.767 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.109 -0.583 -14.956 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.501 -2.678 -15.699 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.129 0.844 -18.003 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.110 -3.961 -17.756 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.739 -0.437 -20.060 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.218 -2.825 -19.913 1.00 0.00 H new ATOM 991 N GLU A 63 -9.265 -1.925 -14.150 1.00 0.00 N ATOM 992 CA GLU A 63 -10.288 -2.927 -14.393 1.00 0.00 C ATOM 993 C GLU A 63 -11.594 -2.531 -13.699 1.00 0.00 C ATOM 994 O GLU A 63 -12.678 -2.787 -14.219 1.00 0.00 O ATOM 995 CB GLU A 63 -9.822 -4.310 -13.934 1.00 0.00 C ATOM 996 CG GLU A 63 -9.197 -5.090 -15.092 1.00 0.00 C ATOM 997 CD GLU A 63 -9.825 -6.480 -15.219 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.050 -6.529 -15.459 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.064 -7.461 -15.073 1.00 0.00 O ATOM 0 H GLU A 63 -8.618 -2.151 -13.395 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.470 -2.979 -15.466 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.096 -4.204 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.667 -4.867 -13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.334 -4.539 -16.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.123 -5.185 -14.933 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.444 -1.911 -12.538 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.597 -1.477 -11.768 1.00 0.00 C ATOM 1008 C ASP A 64 -13.291 -0.326 -12.501 1.00 0.00 C ATOM 1009 O ASP A 64 -14.502 -0.149 -12.379 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.179 -0.972 -10.385 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.152 0.012 -9.734 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.191 -0.466 -9.232 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.833 1.221 -9.753 1.00 0.00 O ATOM 0 H ASP A 64 -10.542 -1.699 -12.112 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.265 -2.330 -11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.057 -1.830 -9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.204 -0.493 -10.469 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.493 0.425 -13.245 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.014 1.553 -13.998 1.00 0.00 C ATOM 1020 C VAL A 65 -13.530 1.062 -15.353 1.00 0.00 C ATOM 1021 O VAL A 65 -13.947 1.862 -16.189 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.943 2.638 -14.124 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.551 2.071 -13.839 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.993 3.302 -15.501 1.00 0.00 C ATOM 0 H VAL A 65 -11.489 0.274 -13.343 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.856 2.005 -13.474 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.153 3.403 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.809 2.863 -13.935 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.522 1.668 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.329 1.277 -14.552 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.221 4.069 -15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.822 2.552 -16.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.971 3.759 -15.649 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.484 -0.251 -15.527 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.942 -0.857 -16.766 1.00 0.00 C ATOM 1036 C GLY A 66 -13.646 0.049 -17.962 1.00 0.00 C ATOM 1037 O GLY A 66 -14.545 0.701 -18.489 1.00 0.00 O ATOM 0 H GLY A 66 -13.137 -0.911 -14.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.453 -1.821 -16.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.013 -1.049 -16.707 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.381 0.061 -18.355 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.954 0.875 -19.479 1.00 0.00 C ATOM 1043 C HIS A 67 -12.581 0.341 -20.769 1.00 0.00 C ATOM 1044 O HIS A 67 -13.345 -0.623 -20.738 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.427 0.949 -19.549 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.814 1.932 -18.582 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.493 1.599 -17.278 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.467 3.242 -18.742 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.977 2.669 -16.688 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.963 3.685 -17.598 1.00 0.00 N ATOM 0 H HIS A 67 -11.638 -0.481 -17.914 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.303 1.898 -19.343 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.016 -0.042 -19.353 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.133 1.221 -20.563 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.630 0.686 -16.844 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.583 3.820 -19.647 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.629 2.726 -15.667 1.00 0.00 H new ATOM 1059 N SER A 68 -12.235 0.990 -21.870 1.00 0.00 N ATOM 1060 CA SER A 68 -12.755 0.592 -23.167 1.00 0.00 C ATOM 1061 C SER A 68 -11.673 -0.140 -23.963 1.00 0.00 C ATOM 1062 O SER A 68 -10.484 0.125 -23.790 1.00 0.00 O ATOM 1063 CB SER A 68 -13.264 1.803 -23.953 1.00 0.00 C ATOM 1064 OG SER A 68 -12.241 2.385 -24.755 1.00 0.00 O ATOM 0 H SER A 68 -11.601 1.789 -21.891 1.00 0.00 H new ATOM 0 HA SER A 68 -13.596 -0.082 -23.005 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.095 1.499 -24.589 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.650 2.550 -23.259 1.00 0.00 H new ATOM 0 HG SER A 68 -12.605 3.153 -25.242 1.00 0.00 H new ATOM 1070 N THR A 69 -12.123 -1.047 -24.818 1.00 0.00 N ATOM 1071 CA THR A 69 -11.207 -1.818 -25.641 1.00 0.00 C ATOM 1072 C THR A 69 -10.237 -0.891 -26.376 1.00 0.00 C ATOM 1073 O THR A 69 -9.093 -1.258 -26.628 1.00 0.00 O ATOM 1074 CB THR A 69 -12.039 -2.696 -26.580 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.102 -1.843 -26.999 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.745 -3.836 -25.844 1.00 0.00 C ATOM 0 H THR A 69 -13.109 -1.265 -24.958 1.00 0.00 H new ATOM 0 HA THR A 69 -10.582 -2.470 -25.031 1.00 0.00 H new ATOM 0 HB THR A 69 -11.395 -3.109 -27.356 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.690 -2.331 -27.613 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.321 -4.427 -26.556 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.003 -4.472 -25.360 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.415 -3.423 -25.090 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.734 0.295 -26.699 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.926 1.278 -27.399 1.00 0.00 C ATOM 1086 C ASP A 70 -8.793 1.746 -26.484 1.00 0.00 C ATOM 1087 O ASP A 70 -7.638 1.802 -26.900 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.760 2.502 -27.783 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.011 3.569 -28.584 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -8.870 3.272 -28.997 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.597 4.659 -28.763 1.00 0.00 O ATOM 0 H ASP A 70 -11.686 0.596 -26.489 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.533 0.811 -28.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.620 2.169 -28.365 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.148 2.958 -26.873 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.165 2.073 -25.255 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.194 2.534 -24.277 1.00 0.00 C ATOM 1098 C ALA A 71 -7.064 1.509 -24.163 1.00 0.00 C ATOM 1099 O ALA A 71 -5.888 1.865 -24.231 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.894 2.780 -22.939 1.00 0.00 C ATOM 0 H ALA A 71 -10.125 2.028 -24.914 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.751 3.479 -24.593 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.166 3.126 -22.205 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.668 3.537 -23.067 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.348 1.853 -22.590 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.459 0.256 -23.992 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.495 -0.823 -23.869 1.00 0.00 C ATOM 1108 C ARG A 72 -5.646 -0.925 -25.137 1.00 0.00 C ATOM 1109 O ARG A 72 -4.442 -1.170 -25.065 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.194 -2.163 -23.624 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.233 -2.042 -22.507 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.939 -3.378 -22.268 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.045 -4.129 -23.540 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.097 -4.951 -24.008 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -6.965 -5.132 -23.314 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.278 -5.590 -25.172 1.00 0.00 N ATOM 0 H ARG A 72 -8.435 -0.036 -23.936 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.855 -0.598 -23.016 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.678 -2.498 -24.541 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.456 -2.920 -23.359 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.748 -1.714 -21.588 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.967 -1.280 -22.769 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.386 -3.965 -21.535 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.932 -3.205 -21.854 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.893 -4.013 -24.094 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.826 -4.644 -22.429 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.243 -5.758 -23.670 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.138 -5.450 -25.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.556 -6.216 -25.528 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.305 -0.730 -26.269 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.626 -0.796 -27.552 1.00 0.00 C ATOM 1132 C GLU A 73 -4.593 0.328 -27.665 1.00 0.00 C ATOM 1133 O GLU A 73 -3.448 0.087 -28.041 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.628 -0.736 -28.707 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.639 -2.050 -29.492 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.624 -1.983 -30.660 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -7.619 -0.940 -31.348 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.361 -2.977 -30.838 1.00 0.00 O ATOM 0 H GLU A 73 -7.303 -0.526 -26.325 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.104 -1.751 -27.615 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.626 -0.532 -28.318 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.372 0.088 -29.373 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.638 -2.262 -29.868 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.911 -2.871 -28.829 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.036 1.531 -27.331 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.166 2.693 -27.390 1.00 0.00 C ATOM 1147 C LEU A 74 -2.907 2.423 -26.563 1.00 0.00 C ATOM 1148 O LEU A 74 -1.808 2.811 -26.954 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.923 3.953 -26.965 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.588 4.500 -25.576 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.579 5.648 -25.668 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.856 4.910 -24.827 1.00 0.00 C ATOM 0 H LEU A 74 -5.987 1.726 -27.018 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.843 2.875 -28.415 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.728 4.735 -27.699 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.992 3.741 -27.002 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.118 3.703 -24.999 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.358 6.019 -24.667 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.661 5.289 -26.133 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.999 6.454 -26.269 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.589 5.295 -23.843 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.377 5.684 -25.390 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.507 4.044 -24.713 1.00 0.00 H new ATOM 1164 N SER A 75 -3.111 1.759 -25.434 1.00 0.00 N ATOM 1165 CA SER A 75 -2.006 1.432 -24.549 1.00 0.00 C ATOM 1166 C SER A 75 -1.035 0.480 -25.252 1.00 0.00 C ATOM 1167 O SER A 75 0.177 0.576 -25.067 1.00 0.00 O ATOM 1168 CB SER A 75 -2.510 0.809 -23.247 1.00 0.00 C ATOM 1169 OG SER A 75 -1.751 1.239 -22.120 1.00 0.00 O ATOM 0 H SER A 75 -4.025 1.439 -25.112 1.00 0.00 H new ATOM 0 HA SER A 75 -1.483 2.355 -24.300 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.557 1.073 -23.101 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.463 -0.277 -23.323 1.00 0.00 H new ATOM 0 HG SER A 75 -1.208 0.494 -21.788 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.604 -0.415 -26.044 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.804 -1.383 -26.776 1.00 0.00 C ATOM 1177 C LYS A 76 0.137 -0.644 -27.730 1.00 0.00 C ATOM 1178 O LYS A 76 1.094 -1.225 -28.237 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.705 -2.406 -27.472 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.736 -2.172 -28.983 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.698 -3.145 -29.668 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.464 -3.173 -31.180 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.740 -3.384 -31.898 1.00 0.00 N ATOM 0 H LYS A 76 -2.610 -0.491 -26.196 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.179 -1.956 -26.091 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.345 -3.414 -27.264 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.716 -2.339 -27.069 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.042 -1.146 -29.190 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.734 -2.295 -29.394 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.563 -4.145 -29.257 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.727 -2.851 -29.461 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.010 -2.236 -31.501 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.763 -3.969 -31.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.563 -3.400 -32.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.158 -4.290 -31.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.397 -2.610 -31.672 1.00 0.00 H new ATOM 1197 N THR A 77 -0.170 0.627 -27.945 1.00 0.00 N ATOM 1198 CA THR A 77 0.636 1.451 -28.830 1.00 0.00 C ATOM 1199 C THR A 77 1.791 2.092 -28.056 1.00 0.00 C ATOM 1200 O THR A 77 2.813 2.445 -28.640 1.00 0.00 O ATOM 1201 CB THR A 77 -0.287 2.472 -29.496 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.373 2.793 -30.718 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.336 3.802 -28.738 1.00 0.00 C ATOM 0 H THR A 77 -0.965 1.106 -27.522 1.00 0.00 H new ATOM 0 HA THR A 77 1.102 0.852 -29.613 1.00 0.00 H new ATOM 0 HB THR A 77 -1.293 2.058 -29.567 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.159 3.449 -31.215 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.006 4.490 -29.254 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.701 3.630 -27.726 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.664 4.233 -28.695 1.00 0.00 H new ATOM 1211 N PHE A 78 1.589 2.220 -26.752 1.00 0.00 N ATOM 1212 CA PHE A 78 2.600 2.812 -25.893 1.00 0.00 C ATOM 1213 C PHE A 78 3.290 1.742 -25.044 1.00 0.00 C ATOM 1214 O PHE A 78 4.169 2.053 -24.241 1.00 0.00 O ATOM 1215 CB PHE A 78 1.883 3.795 -24.967 1.00 0.00 C ATOM 1216 CG PHE A 78 1.280 5.002 -25.690 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.657 5.289 -26.963 1.00 0.00 C ATOM 1218 CD2 PHE A 78 0.369 5.789 -25.057 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.097 6.410 -27.634 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.190 6.910 -25.726 1.00 0.00 C ATOM 1221 CZ PHE A 78 0.187 7.196 -27.001 1.00 0.00 C ATOM 0 H PHE A 78 0.740 1.924 -26.270 1.00 0.00 H new ATOM 0 HA PHE A 78 3.360 3.306 -26.499 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.090 3.267 -24.438 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.587 4.149 -24.214 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.382 4.666 -27.465 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.070 5.561 -24.044 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.395 6.637 -28.647 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.913 7.535 -25.223 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.237 8.048 -27.511 1.00 0.00 H new ATOM 1231 N ILE A 79 2.868 0.503 -25.251 1.00 0.00 N ATOM 1232 CA ILE A 79 3.435 -0.614 -24.515 1.00 0.00 C ATOM 1233 C ILE A 79 4.957 -0.598 -24.665 1.00 0.00 C ATOM 1234 O ILE A 79 5.474 -0.430 -25.769 1.00 0.00 O ATOM 1235 CB ILE A 79 2.787 -1.929 -24.954 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.595 -2.277 -24.060 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.818 -3.058 -25.001 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.163 -3.731 -24.265 1.00 0.00 C ATOM 0 H ILE A 79 2.140 0.248 -25.918 1.00 0.00 H new ATOM 0 HA ILE A 79 3.218 -0.518 -23.451 1.00 0.00 H new ATOM 0 HB ILE A 79 2.403 -1.801 -25.966 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.860 -2.116 -23.015 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.761 -1.611 -24.283 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.332 -3.982 -25.316 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.605 -2.802 -25.710 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.252 -3.196 -24.011 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.314 -3.953 -23.618 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.875 -3.882 -25.306 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.991 -4.395 -24.018 1.00 0.00 H new ATOM 1250 N ILE A 80 5.633 -0.775 -23.539 1.00 0.00 N ATOM 1251 CA ILE A 80 7.086 -0.783 -23.531 1.00 0.00 C ATOM 1252 C ILE A 80 7.583 -2.217 -23.332 1.00 0.00 C ATOM 1253 O ILE A 80 8.606 -2.607 -23.890 1.00 0.00 O ATOM 1254 CB ILE A 80 7.623 0.203 -22.493 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.653 0.342 -21.316 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.942 1.555 -23.134 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.321 1.048 -20.135 1.00 0.00 C ATOM 0 H ILE A 80 5.201 -0.914 -22.626 1.00 0.00 H new ATOM 0 HA ILE A 80 7.473 -0.441 -24.491 1.00 0.00 H new ATOM 0 HB ILE A 80 8.557 -0.194 -22.096 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.773 0.904 -21.630 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.308 -0.644 -21.006 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.322 2.237 -22.374 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.695 1.421 -23.910 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.036 1.971 -23.575 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.610 1.134 -19.313 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.186 0.471 -19.808 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.643 2.043 -20.441 1.00 0.00 H new ATOM 1269 N GLY A 81 6.832 -2.963 -22.533 1.00 0.00 N ATOM 1270 CA GLY A 81 7.185 -4.345 -22.253 1.00 0.00 C ATOM 1271 C GLY A 81 6.072 -5.045 -21.469 1.00 0.00 C ATOM 1272 O GLY A 81 4.897 -4.721 -21.631 1.00 0.00 O ATOM 0 H GLY A 81 5.983 -2.637 -22.072 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.365 -4.875 -23.188 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.114 -4.379 -21.683 1.00 0.00 H new ATOM 1276 N GLU A 82 6.483 -5.992 -20.639 1.00 0.00 N ATOM 1277 CA GLU A 82 5.535 -6.741 -19.831 1.00 0.00 C ATOM 1278 C GLU A 82 6.171 -7.133 -18.496 1.00 0.00 C ATOM 1279 O GLU A 82 7.385 -7.033 -18.328 1.00 0.00 O ATOM 1280 CB GLU A 82 5.030 -7.975 -20.581 1.00 0.00 C ATOM 1281 CG GLU A 82 4.973 -7.716 -22.088 1.00 0.00 C ATOM 1282 CD GLU A 82 4.385 -8.918 -22.828 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.172 -9.842 -23.128 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.161 -8.886 -23.080 1.00 0.00 O ATOM 0 H GLU A 82 7.459 -6.258 -20.508 1.00 0.00 H new ATOM 0 HA GLU A 82 4.675 -6.103 -19.629 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.686 -8.822 -20.379 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.039 -8.246 -20.217 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.368 -6.831 -22.286 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.975 -7.508 -22.463 1.00 0.00 H new ATOM 1291 N LEU A 83 5.320 -7.570 -17.577 1.00 0.00 N ATOM 1292 CA LEU A 83 5.783 -7.976 -16.261 1.00 0.00 C ATOM 1293 C LEU A 83 6.437 -9.355 -16.360 1.00 0.00 C ATOM 1294 O LEU A 83 5.784 -10.332 -16.720 1.00 0.00 O ATOM 1295 CB LEU A 83 4.640 -7.910 -15.247 1.00 0.00 C ATOM 1296 CG LEU A 83 5.051 -7.848 -13.775 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.492 -8.328 -13.588 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.837 -6.445 -13.205 1.00 0.00 C ATOM 0 H LEU A 83 4.313 -7.651 -17.719 1.00 0.00 H new ATOM 0 HA LEU A 83 6.543 -7.286 -15.895 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.032 -7.033 -15.471 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.004 -8.784 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 83 4.409 -8.526 -13.212 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.759 -8.274 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.580 -9.358 -13.932 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.165 -7.694 -14.166 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.137 -6.428 -12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.438 -5.729 -13.766 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.784 -6.176 -13.285 1.00 0.00 H new ATOM 1310 N HIS A 84 7.723 -9.389 -16.034 1.00 0.00 N ATOM 1311 CA HIS A 84 8.473 -10.632 -16.082 1.00 0.00 C ATOM 1312 C HIS A 84 7.916 -11.609 -15.044 1.00 0.00 C ATOM 1313 O HIS A 84 6.906 -11.326 -14.399 1.00 0.00 O ATOM 1314 CB HIS A 84 9.971 -10.369 -15.905 1.00 0.00 C ATOM 1315 CG HIS A 84 10.825 -10.918 -17.022 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.207 -10.977 -16.949 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.481 -11.432 -18.238 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.663 -11.503 -18.076 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.594 -11.784 -18.874 1.00 0.00 N ATOM 0 H HIS A 84 8.262 -8.576 -15.736 1.00 0.00 H new ATOM 0 HA HIS A 84 8.357 -11.093 -17.063 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.135 -9.294 -15.831 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.298 -10.807 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.476 -11.535 -18.619 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.700 -11.679 -18.320 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.641 -12.196 -19.806 1.00 0.00 H new ATOM 1328 N PRO A 85 8.616 -12.767 -14.910 1.00 0.00 N ATOM 1329 CA PRO A 85 8.202 -13.786 -13.961 1.00 0.00 C ATOM 1330 C PRO A 85 8.544 -13.374 -12.528 1.00 0.00 C ATOM 1331 O PRO A 85 8.421 -14.172 -11.602 1.00 0.00 O ATOM 1332 CB PRO A 85 8.922 -15.050 -14.403 1.00 0.00 C ATOM 1333 CG PRO A 85 10.065 -14.590 -15.293 1.00 0.00 C ATOM 1334 CD PRO A 85 9.816 -13.134 -15.655 1.00 0.00 C ATOM 0 HA PRO A 85 7.123 -13.939 -13.953 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.296 -15.607 -13.544 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.248 -15.714 -14.945 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.019 -14.697 -14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.119 -15.203 -16.192 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.662 -12.506 -15.376 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.669 -13.012 -16.728 1.00 0.00 H new ATOM 1342 N ASP A 86 8.968 -12.126 -12.391 1.00 0.00 N ATOM 1343 CA ASP A 86 9.329 -11.596 -11.087 1.00 0.00 C ATOM 1344 C ASP A 86 8.059 -11.187 -10.338 1.00 0.00 C ATOM 1345 O ASP A 86 8.054 -11.117 -9.110 1.00 0.00 O ATOM 1346 CB ASP A 86 10.218 -10.358 -11.221 1.00 0.00 C ATOM 1347 CG ASP A 86 9.899 -9.225 -10.244 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.447 -9.272 -9.122 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.115 -8.337 -10.642 1.00 0.00 O ATOM 0 H ASP A 86 9.070 -11.466 -13.162 1.00 0.00 H new ATOM 0 HA ASP A 86 9.871 -12.372 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.256 -10.658 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.132 -9.976 -12.238 1.00 0.00 H new ATOM 1354 N ASP A 87 7.014 -10.930 -11.109 1.00 0.00 N ATOM 1355 CA ASP A 87 5.741 -10.530 -10.533 1.00 0.00 C ATOM 1356 C ASP A 87 4.636 -10.705 -11.578 1.00 0.00 C ATOM 1357 O ASP A 87 3.732 -9.876 -11.676 1.00 0.00 O ATOM 1358 CB ASP A 87 5.763 -9.059 -10.112 1.00 0.00 C ATOM 1359 CG ASP A 87 6.037 -8.816 -8.627 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.105 -9.062 -7.830 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.170 -8.388 -8.321 1.00 0.00 O ATOM 0 H ASP A 87 7.022 -10.991 -12.127 1.00 0.00 H new ATOM 0 HA ASP A 87 5.557 -11.153 -9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.524 -8.541 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.804 -8.609 -10.367 1.00 0.00 H new ATOM 1366 N ARG A 88 4.745 -11.791 -12.331 1.00 0.00 N ATOM 1367 CA ARG A 88 3.766 -12.086 -13.364 1.00 0.00 C ATOM 1368 C ARG A 88 2.470 -12.598 -12.736 1.00 0.00 C ATOM 1369 O ARG A 88 1.480 -11.870 -12.663 1.00 0.00 O ATOM 1370 CB ARG A 88 4.299 -13.132 -14.344 1.00 0.00 C ATOM 1371 CG ARG A 88 4.175 -12.644 -15.788 1.00 0.00 C ATOM 1372 CD ARG A 88 5.282 -13.236 -16.664 1.00 0.00 C ATOM 1373 NE ARG A 88 4.718 -13.689 -17.955 1.00 0.00 N ATOM 1374 CZ ARG A 88 5.414 -14.352 -18.887 1.00 0.00 C ATOM 1375 NH1 ARG A 88 6.705 -14.644 -18.678 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.820 -14.725 -20.030 1.00 0.00 N ATOM 0 H ARG A 88 5.496 -12.476 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 88 3.569 -11.162 -13.908 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.343 -13.348 -14.118 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.747 -14.064 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.201 -12.925 -16.188 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.229 -11.556 -15.814 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.057 -12.490 -16.838 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.755 -14.073 -16.151 1.00 0.00 H new ATOM 0 HE ARG A 88 3.738 -13.483 -18.147 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.158 -14.361 -17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.235 -15.149 -19.388 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.837 -14.504 -20.190 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.351 -15.230 -20.739 1.00 0.00 H new ATOM 1390 N SER A 89 2.514 -13.847 -12.297 1.00 0.00 N ATOM 1391 CA SER A 89 1.355 -14.466 -11.677 1.00 0.00 C ATOM 1392 C SER A 89 0.930 -13.665 -10.445 1.00 0.00 C ATOM 1393 O SER A 89 -0.099 -13.955 -9.836 1.00 0.00 O ATOM 1394 CB SER A 89 1.646 -15.918 -11.291 1.00 0.00 C ATOM 1395 OG SER A 89 2.893 -16.052 -10.615 1.00 0.00 O ATOM 0 H SER A 89 3.336 -14.448 -12.359 1.00 0.00 H new ATOM 0 HA SER A 89 0.540 -14.467 -12.401 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.845 -16.290 -10.652 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.652 -16.537 -12.188 1.00 0.00 H new ATOM 0 HG SER A 89 3.041 -16.993 -10.384 1.00 0.00 H new ATOM 1401 N LYS A 90 1.743 -12.672 -10.116 1.00 0.00 N ATOM 1402 CA LYS A 90 1.463 -11.826 -8.968 1.00 0.00 C ATOM 1403 C LYS A 90 0.462 -10.742 -9.370 1.00 0.00 C ATOM 1404 O LYS A 90 -0.287 -10.243 -8.531 1.00 0.00 O ATOM 1405 CB LYS A 90 2.764 -11.275 -8.379 1.00 0.00 C ATOM 1406 CG LYS A 90 3.167 -12.045 -7.119 1.00 0.00 C ATOM 1407 CD LYS A 90 4.448 -12.847 -7.354 1.00 0.00 C ATOM 1408 CE LYS A 90 4.887 -13.564 -6.076 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.020 -14.734 -5.815 1.00 0.00 N ATOM 0 H LYS A 90 2.595 -12.434 -10.624 1.00 0.00 H new ATOM 0 HA LYS A 90 1.000 -12.407 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.560 -11.343 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.640 -10.219 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.316 -11.348 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.361 -12.718 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.284 -13.577 -8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.242 -12.181 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.924 -13.886 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.843 -12.876 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.342 -15.219 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.038 -14.417 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.070 -15.390 -6.621 1.00 0.00 H new ATOM 1423 N ILE A 91 0.481 -10.409 -10.652 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.415 -9.393 -11.175 1.00 0.00 C ATOM 1425 C ILE A 91 -1.093 -9.920 -12.441 1.00 0.00 C ATOM 1426 O ILE A 91 -2.307 -9.796 -12.598 1.00 0.00 O ATOM 1427 CB ILE A 91 0.331 -8.074 -11.381 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.771 -7.914 -12.837 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.507 -7.952 -10.409 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.598 -6.641 -13.024 1.00 0.00 C ATOM 0 H ILE A 91 1.104 -10.826 -11.344 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.205 -9.176 -10.456 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.355 -7.256 -11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.358 -8.781 -13.140 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.106 -7.880 -13.484 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.021 -7.005 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.137 -7.988 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.202 -8.776 -10.573 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.898 -6.552 -14.068 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.000 -5.774 -12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.486 -6.689 -12.394 1.00 0.00 H new ATOM 1442 N THR A 92 -0.280 -10.498 -13.312 1.00 0.00 N ATOM 1443 CA THR A 92 -0.786 -11.046 -14.559 1.00 0.00 C ATOM 1444 C THR A 92 -2.226 -11.531 -14.384 1.00 0.00 C ATOM 1445 O THR A 92 -2.507 -12.348 -13.509 1.00 0.00 O ATOM 1446 CB THR A 92 0.175 -12.146 -15.018 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.058 -12.248 -16.420 1.00 0.00 O ATOM 1448 CG2 THR A 92 -0.210 -13.523 -14.473 1.00 0.00 C ATOM 0 H THR A 92 0.726 -10.599 -13.179 1.00 0.00 H new ATOM 0 HA THR A 92 -0.826 -10.284 -15.338 1.00 0.00 H new ATOM 0 HB THR A 92 1.188 -11.900 -14.699 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.526 -12.938 -16.799 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.503 -14.267 -14.828 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.198 -13.499 -13.383 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.210 -13.785 -14.819 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.100 -11.008 -15.231 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.505 -11.378 -15.181 1.00 0.00 C ATOM 1458 C LYS A 93 -4.958 -11.828 -16.570 1.00 0.00 C ATOM 1459 O LYS A 93 -4.707 -11.146 -17.563 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.339 -10.233 -14.602 1.00 0.00 C ATOM 1461 CG LYS A 93 -5.342 -10.277 -13.073 1.00 0.00 C ATOM 1462 CD LYS A 93 -6.727 -10.642 -12.537 1.00 0.00 C ATOM 1463 CE LYS A 93 -6.680 -10.912 -11.031 1.00 0.00 C ATOM 1464 NZ LYS A 93 -6.915 -9.663 -10.274 1.00 0.00 N ATOM 0 H LYS A 93 -2.863 -10.331 -15.956 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.654 -12.222 -14.508 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.938 -9.278 -14.941 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.362 -10.299 -14.973 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.610 -11.006 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.039 -9.308 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.426 -9.831 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.101 -11.524 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.434 -11.653 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.711 -11.331 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.880 -9.863 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.181 -8.967 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.850 -9.279 -10.519 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.638 -13.007 -16.599 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.130 -13.557 -17.852 1.00 0.00 C ATOM 1480 C PRO A 94 -7.364 -12.794 -18.338 1.00 0.00 C ATOM 1481 O PRO A 94 -7.436 -12.402 -19.502 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.417 -15.019 -17.553 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.517 -15.124 -16.041 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.955 -13.843 -15.445 1.00 0.00 C ATOM 0 HA PRO A 94 -5.409 -13.464 -18.664 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.344 -15.340 -18.029 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.623 -15.659 -17.937 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.554 -15.264 -15.736 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.960 -15.989 -15.681 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.681 -13.358 -14.792 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.068 -14.042 -14.844 1.00 0.00 H new ATOM 1492 N SER A 95 -8.303 -12.605 -17.423 1.00 0.00 N ATOM 1493 CA SER A 95 -9.529 -11.896 -17.744 1.00 0.00 C ATOM 1494 C SER A 95 -10.192 -11.388 -16.463 1.00 0.00 C ATOM 1495 O SER A 95 -10.300 -10.181 -16.250 1.00 0.00 O ATOM 1496 CB SER A 95 -10.496 -12.791 -18.523 1.00 0.00 C ATOM 1497 OG SER A 95 -10.939 -12.176 -19.730 1.00 0.00 O ATOM 0 H SER A 95 -8.239 -12.931 -16.459 1.00 0.00 H new ATOM 0 HA SER A 95 -9.275 -11.045 -18.376 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.006 -13.736 -18.756 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.358 -13.024 -17.898 1.00 0.00 H new ATOM 0 HG SER A 95 -11.553 -12.780 -20.199 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.619 -12.336 -15.640 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.267 -12.000 -14.384 1.00 0.00 C ATOM 1505 C GLU A 96 -12.637 -11.370 -14.647 1.00 0.00 C ATOM 1506 O GLU A 96 -12.961 -11.032 -15.784 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.389 -11.072 -13.543 1.00 0.00 C ATOM 1508 CG GLU A 96 -10.675 -11.248 -12.051 1.00 0.00 C ATOM 1509 CD GLU A 96 -11.372 -10.013 -11.476 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -10.865 -8.902 -11.743 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -12.394 -10.207 -10.784 1.00 0.00 O ATOM 0 H GLU A 96 -10.529 -13.336 -15.819 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.413 -12.919 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.338 -11.281 -13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.568 -10.036 -13.831 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.301 -12.127 -11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.742 -11.425 -11.517 1.00 0.00 H new ATOM 1518 N SER A 97 -13.404 -11.230 -13.574 1.00 0.00 N ATOM 1519 CA SER A 97 -14.730 -10.646 -13.676 1.00 0.00 C ATOM 1520 C SER A 97 -15.294 -10.385 -12.278 1.00 0.00 C ATOM 1521 O SER A 97 -14.805 -10.937 -11.292 1.00 0.00 O ATOM 1522 CB SER A 97 -15.674 -11.555 -14.466 1.00 0.00 C ATOM 1523 OG SER A 97 -16.172 -10.916 -15.639 1.00 0.00 O ATOM 0 H SER A 97 -13.132 -11.511 -12.632 1.00 0.00 H new ATOM 0 HA SER A 97 -14.647 -9.700 -14.212 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.149 -12.468 -14.746 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.509 -11.850 -13.831 1.00 0.00 H new ATOM 0 HG SER A 97 -16.769 -11.529 -16.117 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.316 -9.542 -12.234 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.951 -9.200 -10.973 1.00 0.00 C ATOM 1531 C ILE A 98 -18.252 -8.444 -11.250 1.00 0.00 C ATOM 1532 O ILE A 98 -18.434 -7.891 -12.333 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.977 -8.438 -10.071 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -16.400 -8.531 -8.603 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.825 -6.986 -10.532 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -15.205 -8.317 -7.673 1.00 0.00 C ATOM 0 H ILE A 98 -16.720 -9.086 -13.052 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.217 -10.103 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.997 -8.908 -10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.166 -7.785 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.845 -9.507 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -15.128 -6.467 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.444 -6.966 -11.553 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -16.795 -6.490 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.534 -8.388 -6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -14.451 -9.080 -7.868 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.777 -7.330 -7.851 1.00 0.00 H new ATOM 1548 N ILE A 99 -19.124 -8.446 -10.252 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.403 -7.766 -10.375 1.00 0.00 C ATOM 1550 C ILE A 99 -20.686 -6.985 -9.091 1.00 0.00 C ATOM 1551 O ILE A 99 -20.627 -7.541 -7.996 1.00 0.00 O ATOM 1552 CB ILE A 99 -21.505 -8.762 -10.744 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.068 -9.658 -11.906 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -22.820 -8.040 -11.040 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -21.211 -8.929 -13.244 1.00 0.00 C ATOM 0 H ILE A 99 -18.970 -8.907 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.373 -7.042 -11.189 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.680 -9.411 -9.886 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.032 -9.965 -11.764 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -21.671 -10.566 -11.916 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -23.586 -8.771 -11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -23.135 -7.482 -10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.678 -7.352 -11.873 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -20.894 -9.587 -14.053 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -22.253 -8.645 -13.394 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.588 -8.034 -13.239 1.00 0.00 H new ATOM 1567 N THR A 100 -20.987 -5.707 -9.268 1.00 0.00 N ATOM 1568 CA THR A 100 -21.279 -4.843 -8.138 1.00 0.00 C ATOM 1569 C THR A 100 -22.708 -4.304 -8.233 1.00 0.00 C ATOM 1570 O THR A 100 -23.316 -4.333 -9.301 1.00 0.00 O ATOM 1571 CB THR A 100 -20.216 -3.742 -8.097 1.00 0.00 C ATOM 1572 OG1 THR A 100 -19.059 -4.395 -7.586 1.00 0.00 O ATOM 1573 CG2 THR A 100 -20.528 -2.666 -7.055 1.00 0.00 C ATOM 0 H THR A 100 -21.035 -5.249 -10.178 1.00 0.00 H new ATOM 0 HA THR A 100 -21.235 -5.393 -7.198 1.00 0.00 H new ATOM 0 HB THR A 100 -20.133 -3.281 -9.081 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.320 -3.754 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.743 -1.909 -7.067 1.00 0.00 H new ATOM 0 HG22 THR A 100 -21.485 -2.200 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.578 -3.121 -6.066 1.00 0.00 H new ATOM 1581 N THR A 101 -23.203 -3.827 -7.100 1.00 0.00 N ATOM 1582 CA THR A 101 -24.549 -3.284 -7.042 1.00 0.00 C ATOM 1583 C THR A 101 -24.585 -2.038 -6.155 1.00 0.00 C ATOM 1584 O THR A 101 -23.677 -1.817 -5.353 1.00 0.00 O ATOM 1585 CB THR A 101 -25.488 -4.394 -6.567 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.787 -3.823 -6.680 1.00 0.00 O ATOM 1587 CG2 THR A 101 -25.338 -4.689 -5.073 1.00 0.00 C ATOM 0 H THR A 101 -22.696 -3.805 -6.215 1.00 0.00 H new ATOM 0 HA THR A 101 -24.883 -2.954 -8.026 1.00 0.00 H new ATOM 0 HB THR A 101 -25.293 -5.302 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 101 -27.458 -4.477 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 101 -26.027 -5.484 -4.788 1.00 0.00 H new ATOM 0 HG22 THR A 101 -24.315 -5.003 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 101 -25.565 -3.790 -4.500 1.00 0.00 H new ATOM 1595 N ILE A 102 -25.639 -1.256 -6.328 1.00 0.00 N ATOM 1596 CA ILE A 102 -25.804 -0.039 -5.554 1.00 0.00 C ATOM 1597 C ILE A 102 -27.163 0.587 -5.875 1.00 0.00 C ATOM 1598 O ILE A 102 -27.546 0.682 -7.040 1.00 0.00 O ATOM 1599 CB ILE A 102 -24.623 0.906 -5.783 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -24.249 1.641 -4.494 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -24.911 1.875 -6.931 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -22.846 1.251 -4.028 1.00 0.00 C ATOM 0 H ILE A 102 -26.389 -1.442 -6.994 1.00 0.00 H new ATOM 0 HA ILE A 102 -25.801 -0.264 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 102 -23.760 0.308 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -24.295 2.718 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -24.973 1.406 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -24.056 2.536 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -25.090 1.311 -7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -25.793 2.470 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -22.605 1.788 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -22.810 0.178 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -22.121 1.509 -4.800 1.00 0.00 H new ATOM 1614 N ASP A 103 -27.855 0.997 -4.822 1.00 0.00 N ATOM 1615 CA ASP A 103 -29.163 1.610 -4.978 1.00 0.00 C ATOM 1616 C ASP A 103 -29.063 3.102 -4.656 1.00 0.00 C ATOM 1617 O ASP A 103 -29.513 3.940 -5.436 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.181 0.986 -4.021 1.00 0.00 C ATOM 1619 CG ASP A 103 -31.628 1.433 -4.236 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -31.816 2.640 -4.501 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -32.515 0.558 -4.128 1.00 0.00 O ATOM 0 H ASP A 103 -27.534 0.917 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 103 -29.490 1.451 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -30.133 -0.098 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -29.890 1.226 -2.998 1.00 0.00 H new ATOM 1626 N SER A 104 -28.473 3.388 -3.506 1.00 0.00 N ATOM 1627 CA SER A 104 -28.308 4.765 -3.071 1.00 0.00 C ATOM 1628 C SER A 104 -29.658 5.482 -3.087 1.00 0.00 C ATOM 1629 O SER A 104 -30.698 4.864 -2.861 1.00 0.00 O ATOM 1630 CB SER A 104 -27.303 5.506 -3.955 1.00 0.00 C ATOM 1631 OG SER A 104 -27.437 6.920 -3.846 1.00 0.00 O ATOM 0 H SER A 104 -28.103 2.690 -2.861 1.00 0.00 H new ATOM 0 HA SER A 104 -27.918 4.758 -2.053 1.00 0.00 H new ATOM 0 HB2 SER A 104 -26.291 5.215 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 104 -27.445 5.207 -4.994 1.00 0.00 H new ATOM 0 HG SER A 104 -26.777 7.357 -4.424 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.089 5.303 -17.531 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.654 7.213 -18.643 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.951 4.943 -20.758 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.636 3.203 -16.413 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.077 5.816 -14.299 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.700 5.942 -19.314 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.831 6.643 -19.607 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.999 6.760 -21.069 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.913 6.186 -21.676 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.102 5.688 -20.587 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.615 6.080 -23.169 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.200 7.368 -21.765 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.441 6.503 -21.591 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.113 5.029 -21.478 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.026 4.622 -21.928 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.953 4.258 -20.980 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.607 4.320 -18.384 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.253 4.290 -19.744 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.091 3.445 -19.968 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.765 2.904 -18.739 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.682 3.478 -17.782 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.459 3.142 -21.326 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.913 1.824 -18.417 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.619 1.567 -18.812 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.484 4.647 -15.749 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.467 3.739 -15.475 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.364 3.436 -14.030 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.344 4.184 -13.442 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.011 4.949 -14.504 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.354 2.438 -13.410 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.678 4.242 -12.081 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.705 4.295 -11.095 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.586 6.280 -16.641 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.826 6.435 -15.271 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.922 7.336 -15.029 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.323 7.758 -16.241 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.539 7.064 -17.255 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.543 7.705 -13.689 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.330 8.847 -16.519 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.707 8.254 -16.700 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.503 8.983 -17.755 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.022 9.049 -18.904 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.615 9.471 -17.443 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.552 6.038 -23.725 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.038 5.176 -23.361 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.043 6.951 -23.488 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.390 2.969 -21.199 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.612 3.988 -21.996 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.923 2.253 -21.753 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.133 1.650 -14.130 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.783 1.998 -12.510 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.434 2.963 -13.154 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.447 6.866 -13.000 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.598 7.940 -13.829 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.030 8.574 -13.277 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.109 0.670 -18.459 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.104 2.260 -19.477 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.995 4.339 -10.045 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.650 4.292 -11.370 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.109 6.659 -22.438 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.979 6.821 -20.698 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.985 7.488 -22.827 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.390 8.363 -21.363 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.244 8.289 -15.752 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.616 7.204 -16.976 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.043 9.397 -17.415 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.340 9.561 -15.696 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.463 7.833 -19.000 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.560 4.860 -21.761 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.882 2.510 -16.071 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.344 6.024 -13.273 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.348 1.078 -17.752 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.729 4.245 -11.791 1.00 0.00 H new