USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 53 GLN : amide:sc= -9.42! C(o=-21!,f=-28!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -11.4! (180deg=-8.96!) USER MOD Set 2.1: A 75 SER OG : rot -42:sc= -1.85 USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -7.65! (180deg=-10.6!) USER MOD Set 3.1: A 25 THR OG1 : rot -52:sc= 1.46 USER MOD Set 3.2: A 37 THR OG1 : rot 34:sc= 0.809 USER MOD Set 4.1: A 21 ASN : amide:sc= 0 X(o=-0.05,f=0.17) USER MOD Set 4.2: A 24 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HE2:sc= -0.944 K(o=-0.94,f=-3.5!) USER MOD Single : A 20 ASN : amide:sc= -10.3! C(o=-10!,f=-6.7!) 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 30 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.7) USER MOD Single : A 31 TYR OH : rot -50:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -3.31! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -150:sc= -0.275 USER MOD Single : A 61 ASN : amide:sc= -0.0385 X(o=-0.039,f=-0.24) USER MOD Single : A 68 SER OG : rot -99:sc= 0.684 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -11.2! C(o=-11!,f=-9.4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -139:sc= -2.85! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -5.42! (180deg=-5.42!) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.224) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.534 -0.680 -34.046 1.00 0.00 N ATOM 2 CA ALA A 1 29.997 0.601 -33.544 1.00 0.00 C ATOM 3 C ALA A 1 29.465 0.810 -32.124 1.00 0.00 C ATOM 4 O ALA A 1 30.243 0.947 -31.181 1.00 0.00 O ATOM 5 CB ALA A 1 29.558 1.714 -34.499 1.00 0.00 C ATOM 0 H1 ALA A 1 29.894 -0.825 -35.011 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.882 -1.441 -33.429 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.494 -0.693 -34.059 1.00 0.00 H new ATOM 0 HA ALA A 1 31.086 0.623 -33.496 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.906 2.676 -34.122 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.985 1.536 -35.486 1.00 0.00 H new ATOM 0 HB3 ALA A 1 28.470 1.724 -34.570 1.00 0.00 H new ATOM 11 N GLU A 2 28.146 0.826 -32.017 1.00 0.00 N ATOM 12 CA GLU A 2 27.502 1.015 -30.729 1.00 0.00 C ATOM 13 C GLU A 2 25.990 1.163 -30.908 1.00 0.00 C ATOM 14 O GLU A 2 25.473 2.279 -30.957 1.00 0.00 O ATOM 15 CB GLU A 2 28.087 2.222 -29.995 1.00 0.00 C ATOM 16 CG GLU A 2 28.505 1.849 -28.570 1.00 0.00 C ATOM 17 CD GLU A 2 29.991 2.134 -28.342 1.00 0.00 C ATOM 18 OE1 GLU A 2 30.310 3.317 -28.091 1.00 0.00 O ATOM 19 OE2 GLU A 2 30.773 1.163 -28.423 1.00 0.00 O ATOM 0 H GLU A 2 27.505 0.711 -32.802 1.00 0.00 H new ATOM 0 HA GLU A 2 27.692 0.133 -30.118 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.949 2.602 -30.543 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.350 3.025 -29.963 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.909 2.413 -27.853 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.302 0.793 -28.392 1.00 0.00 H new ATOM 26 N GLU A 3 25.322 0.021 -30.999 1.00 0.00 N ATOM 27 CA GLU A 3 23.879 0.009 -31.172 1.00 0.00 C ATOM 28 C GLU A 3 23.366 -1.429 -31.247 1.00 0.00 C ATOM 29 O GLU A 3 23.851 -2.225 -32.050 1.00 0.00 O ATOM 30 CB GLU A 3 23.469 0.804 -32.414 1.00 0.00 C ATOM 31 CG GLU A 3 24.052 0.178 -33.683 1.00 0.00 C ATOM 32 CD GLU A 3 24.205 1.223 -34.789 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.276 1.868 -34.816 1.00 0.00 O ATOM 34 OE2 GLU A 3 23.249 1.354 -35.583 1.00 0.00 O ATOM 0 H GLU A 3 25.754 -0.902 -30.956 1.00 0.00 H new ATOM 0 HA GLU A 3 23.424 0.491 -30.307 1.00 0.00 H new ATOM 0 HB2 GLU A 3 22.382 0.837 -32.487 1.00 0.00 H new ATOM 0 HB3 GLU A 3 23.813 1.834 -32.321 1.00 0.00 H new ATOM 0 HG2 GLU A 3 25.022 -0.266 -33.461 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.403 -0.628 -34.026 1.00 0.00 H new ATOM 41 N SER A 4 22.390 -1.720 -30.399 1.00 0.00 N ATOM 42 CA SER A 4 21.803 -3.049 -30.359 1.00 0.00 C ATOM 43 C SER A 4 20.737 -3.119 -29.264 1.00 0.00 C ATOM 44 O SER A 4 20.949 -2.629 -28.156 1.00 0.00 O ATOM 45 CB SER A 4 22.876 -4.116 -30.126 1.00 0.00 C ATOM 46 OG SER A 4 23.566 -3.919 -28.894 1.00 0.00 O ATOM 0 H SER A 4 21.991 -1.058 -29.734 1.00 0.00 H new ATOM 0 HA SER A 4 21.335 -3.246 -31.323 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.413 -5.103 -30.128 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.591 -4.097 -30.949 1.00 0.00 H new ATOM 0 HG SER A 4 24.241 -4.621 -28.781 1.00 0.00 H new ATOM 52 N SER A 5 19.616 -3.732 -29.614 1.00 0.00 N ATOM 53 CA SER A 5 18.517 -3.872 -28.674 1.00 0.00 C ATOM 54 C SER A 5 18.030 -2.492 -28.228 1.00 0.00 C ATOM 55 O SER A 5 18.816 -1.549 -28.150 1.00 0.00 O ATOM 56 CB SER A 5 18.931 -4.706 -27.461 1.00 0.00 C ATOM 57 OG SER A 5 18.535 -6.069 -27.590 1.00 0.00 O ATOM 0 H SER A 5 19.445 -4.137 -30.534 1.00 0.00 H new ATOM 0 HA SER A 5 17.702 -4.393 -29.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.013 -4.653 -27.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.485 -4.283 -26.561 1.00 0.00 H new ATOM 0 HG SER A 5 18.819 -6.569 -26.796 1.00 0.00 H new ATOM 63 N LYS A 6 16.738 -2.417 -27.948 1.00 0.00 N ATOM 64 CA LYS A 6 16.137 -1.167 -27.512 1.00 0.00 C ATOM 65 C LYS A 6 14.637 -1.374 -27.298 1.00 0.00 C ATOM 66 O LYS A 6 13.822 -0.900 -28.087 1.00 0.00 O ATOM 67 CB LYS A 6 16.469 -0.043 -28.494 1.00 0.00 C ATOM 68 CG LYS A 6 16.863 1.236 -27.750 1.00 0.00 C ATOM 69 CD LYS A 6 17.059 2.398 -28.724 1.00 0.00 C ATOM 70 CE LYS A 6 17.157 3.730 -27.977 1.00 0.00 C ATOM 71 NZ LYS A 6 18.562 4.009 -27.599 1.00 0.00 N ATOM 0 H LYS A 6 16.089 -3.201 -28.014 1.00 0.00 H new ATOM 0 HA LYS A 6 16.555 -0.857 -26.554 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.285 -0.354 -29.147 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.607 0.154 -29.132 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.091 1.491 -27.024 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.783 1.067 -27.190 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.965 2.238 -29.309 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.227 2.432 -29.427 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.776 4.535 -28.605 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.533 3.700 -27.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.612 4.916 -27.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.913 3.249 -26.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.149 4.058 -28.456 1.00 0.00 H new ATOM 85 N ALA A 7 14.316 -2.086 -26.226 1.00 0.00 N ATOM 86 CA ALA A 7 12.928 -2.361 -25.899 1.00 0.00 C ATOM 87 C ALA A 7 12.869 -3.254 -24.657 1.00 0.00 C ATOM 88 O ALA A 7 13.161 -4.445 -24.731 1.00 0.00 O ATOM 89 CB ALA A 7 12.235 -2.996 -27.106 1.00 0.00 C ATOM 0 H ALA A 7 14.994 -2.480 -25.574 1.00 0.00 H new ATOM 0 HA ALA A 7 12.398 -1.437 -25.667 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.193 -3.202 -26.860 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.279 -2.311 -27.953 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.738 -3.927 -27.366 1.00 0.00 H new ATOM 95 N VAL A 8 12.489 -2.641 -23.545 1.00 0.00 N ATOM 96 CA VAL A 8 12.388 -3.365 -22.290 1.00 0.00 C ATOM 97 C VAL A 8 11.903 -4.789 -22.565 1.00 0.00 C ATOM 98 O VAL A 8 12.660 -5.747 -22.410 1.00 0.00 O ATOM 99 CB VAL A 8 11.485 -2.602 -21.318 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.606 -1.593 -22.062 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.632 -3.567 -20.492 1.00 0.00 C ATOM 0 H VAL A 8 12.248 -1.652 -23.488 1.00 0.00 H new ATOM 0 HA VAL A 8 13.365 -3.442 -21.813 1.00 0.00 H new ATOM 0 HB VAL A 8 12.124 -2.047 -20.632 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.974 -1.065 -21.348 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.238 -0.877 -22.586 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.979 -2.118 -22.782 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.999 -3.000 -19.809 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.006 -4.161 -21.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.282 -4.229 -19.919 1.00 0.00 H new ATOM 111 N LYS A 9 10.644 -4.884 -22.968 1.00 0.00 N ATOM 112 CA LYS A 9 10.049 -6.176 -23.265 1.00 0.00 C ATOM 113 C LYS A 9 9.599 -6.838 -21.961 1.00 0.00 C ATOM 114 O LYS A 9 8.454 -7.275 -21.847 1.00 0.00 O ATOM 115 CB LYS A 9 11.014 -7.033 -24.088 1.00 0.00 C ATOM 116 CG LYS A 9 10.301 -7.661 -25.288 1.00 0.00 C ATOM 117 CD LYS A 9 11.275 -8.481 -26.135 1.00 0.00 C ATOM 118 CE LYS A 9 10.996 -8.292 -27.629 1.00 0.00 C ATOM 119 NZ LYS A 9 10.690 -9.590 -28.268 1.00 0.00 N ATOM 0 H LYS A 9 10.020 -4.087 -23.096 1.00 0.00 H new ATOM 0 HA LYS A 9 9.160 -6.053 -23.884 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.846 -6.420 -24.435 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.436 -7.817 -23.460 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.489 -8.300 -24.940 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.851 -6.878 -25.899 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.299 -8.181 -25.912 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.189 -9.536 -25.876 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.159 -7.607 -27.765 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.861 -7.838 -28.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.503 -9.443 -29.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.500 -10.232 -28.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.851 -10.009 -27.819 1.00 0.00 H new ATOM 133 N TYR A 10 10.521 -6.892 -21.013 1.00 0.00 N ATOM 134 CA TYR A 10 10.233 -7.493 -19.721 1.00 0.00 C ATOM 135 C TYR A 10 10.768 -6.625 -18.581 1.00 0.00 C ATOM 136 O TYR A 10 11.966 -6.351 -18.514 1.00 0.00 O ATOM 137 CB TYR A 10 10.962 -8.837 -19.710 1.00 0.00 C ATOM 138 CG TYR A 10 11.925 -9.033 -20.884 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.201 -8.511 -20.825 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.515 -9.732 -22.001 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.105 -8.695 -21.929 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.421 -9.916 -23.106 1.00 0.00 C ATOM 143 CZ TYR A 10 13.671 -9.389 -23.015 1.00 0.00 C ATOM 144 OH TYR A 10 14.525 -9.563 -24.058 1.00 0.00 O ATOM 0 H TYR A 10 11.469 -6.529 -21.113 1.00 0.00 H new ATOM 0 HA TYR A 10 9.158 -7.600 -19.578 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.519 -8.929 -18.777 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.224 -9.639 -19.721 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.521 -7.964 -19.950 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.516 -10.141 -22.047 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.106 -8.291 -21.896 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.114 -10.460 -23.987 1.00 0.00 H new ATOM 0 HH TYR A 10 14.080 -10.078 -24.763 1.00 0.00 H new ATOM 154 N TYR A 11 9.855 -6.217 -17.711 1.00 0.00 N ATOM 155 CA TYR A 11 10.221 -5.385 -16.576 1.00 0.00 C ATOM 156 C TYR A 11 9.761 -6.019 -15.262 1.00 0.00 C ATOM 157 O TYR A 11 8.954 -6.947 -15.265 1.00 0.00 O ATOM 158 CB TYR A 11 9.488 -4.057 -16.773 1.00 0.00 C ATOM 159 CG TYR A 11 10.386 -2.916 -17.255 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.601 -3.197 -17.846 1.00 0.00 C ATOM 161 CD2 TYR A 11 9.980 -1.607 -17.101 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.446 -2.123 -18.299 1.00 0.00 C ATOM 163 CE2 TYR A 11 10.826 -0.532 -17.554 1.00 0.00 C ATOM 164 CZ TYR A 11 12.017 -0.844 -18.132 1.00 0.00 C ATOM 165 OH TYR A 11 12.816 0.171 -18.559 1.00 0.00 O ATOM 0 H TYR A 11 8.863 -6.447 -17.769 1.00 0.00 H new ATOM 0 HA TYR A 11 11.303 -5.261 -16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.683 -4.201 -17.494 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.024 -3.767 -15.831 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.918 -4.222 -17.969 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.028 -1.388 -16.641 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.400 -2.329 -18.761 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.521 0.498 -17.437 1.00 0.00 H new ATOM 0 HH TYR A 11 12.380 1.030 -18.376 1.00 0.00 H new ATOM 175 N THR A 12 10.294 -5.492 -14.170 1.00 0.00 N ATOM 176 CA THR A 12 9.950 -5.994 -12.852 1.00 0.00 C ATOM 177 C THR A 12 9.059 -4.991 -12.115 1.00 0.00 C ATOM 178 O THR A 12 9.105 -3.794 -12.394 1.00 0.00 O ATOM 179 CB THR A 12 11.249 -6.312 -12.110 1.00 0.00 C ATOM 180 OG1 THR A 12 11.899 -5.049 -11.993 1.00 0.00 O ATOM 181 CG2 THR A 12 12.214 -7.151 -12.952 1.00 0.00 C ATOM 0 H THR A 12 10.962 -4.721 -14.172 1.00 0.00 H new ATOM 0 HA THR A 12 9.366 -6.912 -12.920 1.00 0.00 H new ATOM 0 HB THR A 12 11.019 -6.842 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.751 -5.162 -11.522 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.120 -7.349 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.739 -8.096 -13.217 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.471 -6.607 -13.861 1.00 0.00 H new ATOM 189 N LEU A 13 8.271 -5.517 -11.189 1.00 0.00 N ATOM 190 CA LEU A 13 7.371 -4.681 -10.410 1.00 0.00 C ATOM 191 C LEU A 13 8.126 -3.442 -9.923 1.00 0.00 C ATOM 192 O LEU A 13 7.581 -2.340 -9.923 1.00 0.00 O ATOM 193 CB LEU A 13 6.728 -5.492 -9.283 1.00 0.00 C ATOM 194 CG LEU A 13 5.248 -5.835 -9.464 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.659 -6.416 -8.177 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.459 -4.619 -9.958 1.00 0.00 C ATOM 0 H LEU A 13 8.236 -6.510 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 13 6.546 -4.329 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.285 -6.422 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.841 -4.936 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 13 5.167 -6.605 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.606 -6.651 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.198 -7.324 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.753 -5.687 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.410 -4.890 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.544 -3.811 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.861 -4.289 -10.916 1.00 0.00 H new ATOM 208 N GLU A 14 9.368 -3.666 -9.520 1.00 0.00 N ATOM 209 CA GLU A 14 10.203 -2.583 -9.031 1.00 0.00 C ATOM 210 C GLU A 14 10.543 -1.620 -10.170 1.00 0.00 C ATOM 211 O GLU A 14 10.358 -0.411 -10.043 1.00 0.00 O ATOM 212 CB GLU A 14 11.474 -3.123 -8.373 1.00 0.00 C ATOM 213 CG GLU A 14 11.628 -2.579 -6.951 1.00 0.00 C ATOM 214 CD GLU A 14 12.233 -3.632 -6.023 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.441 -4.433 -5.479 1.00 0.00 O ATOM 216 OE2 GLU A 14 13.474 -3.616 -5.876 1.00 0.00 O ATOM 0 H GLU A 14 9.816 -4.582 -9.522 1.00 0.00 H new ATOM 0 HA GLU A 14 9.645 -2.036 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.440 -4.212 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.343 -2.844 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.263 -1.693 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.655 -2.269 -6.569 1.00 0.00 H new ATOM 223 N GLU A 15 11.035 -2.193 -11.259 1.00 0.00 N ATOM 224 CA GLU A 15 11.403 -1.400 -12.420 1.00 0.00 C ATOM 225 C GLU A 15 10.271 -0.439 -12.788 1.00 0.00 C ATOM 226 O GLU A 15 10.522 0.692 -13.202 1.00 0.00 O ATOM 227 CB GLU A 15 11.766 -2.299 -13.605 1.00 0.00 C ATOM 228 CG GLU A 15 12.388 -1.485 -14.741 1.00 0.00 C ATOM 229 CD GLU A 15 13.797 -1.986 -15.067 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.066 -3.165 -14.750 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.571 -1.180 -15.625 1.00 0.00 O ATOM 0 H GLU A 15 11.187 -3.196 -11.362 1.00 0.00 H new ATOM 0 HA GLU A 15 12.285 -0.811 -12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.465 -3.070 -13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.873 -2.810 -13.965 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.759 -1.554 -15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.428 -0.433 -14.459 1.00 0.00 H new ATOM 238 N ILE A 16 9.050 -0.925 -12.623 1.00 0.00 N ATOM 239 CA ILE A 16 7.878 -0.122 -12.932 1.00 0.00 C ATOM 240 C ILE A 16 7.572 0.803 -11.751 1.00 0.00 C ATOM 241 O ILE A 16 7.101 1.922 -11.941 1.00 0.00 O ATOM 242 CB ILE A 16 6.704 -1.019 -13.331 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.158 -2.121 -14.292 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.556 -0.192 -13.911 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.724 -3.498 -13.788 1.00 0.00 C ATOM 0 H ILE A 16 8.846 -1.864 -12.280 1.00 0.00 H new ATOM 0 HA ILE A 16 8.070 0.516 -13.795 1.00 0.00 H new ATOM 0 HB ILE A 16 6.327 -1.509 -12.433 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.737 -1.942 -15.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.243 -2.093 -14.397 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.734 -0.853 -14.187 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.211 0.524 -13.166 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.903 0.343 -14.795 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.058 -4.264 -14.488 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.166 -3.683 -12.809 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.637 -3.530 -13.707 1.00 0.00 H new ATOM 257 N GLN A 17 7.852 0.297 -10.559 1.00 0.00 N ATOM 258 CA GLN A 17 7.612 1.063 -9.347 1.00 0.00 C ATOM 259 C GLN A 17 8.533 2.285 -9.301 1.00 0.00 C ATOM 260 O GLN A 17 8.146 3.340 -8.802 1.00 0.00 O ATOM 261 CB GLN A 17 7.794 0.191 -8.103 1.00 0.00 C ATOM 262 CG GLN A 17 6.782 0.567 -7.018 1.00 0.00 C ATOM 263 CD GLN A 17 7.484 1.163 -5.796 1.00 0.00 C ATOM 264 OE1 GLN A 17 7.689 2.359 -5.687 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.840 0.261 -4.885 1.00 0.00 N ATOM 0 H GLN A 17 8.242 -0.633 -10.406 1.00 0.00 H new ATOM 0 HA GLN A 17 6.579 1.411 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.674 -0.859 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.807 0.308 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.066 1.286 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.216 -0.316 -6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.638 -0.727 -5.039 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.315 0.557 -4.032 1.00 0.00 H new ATOM 274 N LYS A 18 9.735 2.100 -9.826 1.00 0.00 N ATOM 275 CA LYS A 18 10.714 3.173 -9.851 1.00 0.00 C ATOM 276 C LYS A 18 10.252 4.257 -10.828 1.00 0.00 C ATOM 277 O LYS A 18 10.547 5.435 -10.637 1.00 0.00 O ATOM 278 CB LYS A 18 12.107 2.621 -10.158 1.00 0.00 C ATOM 279 CG LYS A 18 12.502 1.539 -9.151 1.00 0.00 C ATOM 280 CD LYS A 18 13.103 2.158 -7.887 1.00 0.00 C ATOM 281 CE LYS A 18 14.389 2.920 -8.210 1.00 0.00 C ATOM 282 NZ LYS A 18 14.284 4.327 -7.760 1.00 0.00 N ATOM 0 H LYS A 18 10.053 1.223 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 18 10.792 3.640 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.124 2.208 -11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.837 3.430 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.627 0.945 -8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.223 0.860 -9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.380 2.834 -7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.313 1.375 -7.158 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.237 2.438 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.578 2.888 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.165 4.831 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.487 4.788 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.126 4.352 -6.732 1.00 0.00 H new ATOM 296 N HIS A 19 9.538 3.817 -11.854 1.00 0.00 N ATOM 297 CA HIS A 19 9.033 4.735 -12.861 1.00 0.00 C ATOM 298 C HIS A 19 7.583 5.105 -12.538 1.00 0.00 C ATOM 299 O HIS A 19 6.656 4.399 -12.932 1.00 0.00 O ATOM 300 CB HIS A 19 9.195 4.144 -14.263 1.00 0.00 C ATOM 301 CG HIS A 19 10.568 4.345 -14.858 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.773 4.602 -16.203 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.803 4.325 -14.279 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.074 4.729 -16.412 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.712 4.556 -15.218 1.00 0.00 N ATOM 0 H HIS A 19 9.297 2.838 -12.010 1.00 0.00 H new ATOM 0 HA HIS A 19 9.618 5.655 -12.846 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.980 3.076 -14.223 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.454 4.594 -14.924 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.045 4.680 -16.913 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.007 4.151 -13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.547 4.934 -17.361 1.00 0.00 H new ATOM 314 N ASN A 20 7.434 6.211 -11.824 1.00 0.00 N ATOM 315 CA ASN A 20 6.114 6.684 -11.444 1.00 0.00 C ATOM 316 C ASN A 20 6.118 8.211 -11.399 1.00 0.00 C ATOM 317 O ASN A 20 5.343 8.817 -10.659 1.00 0.00 O ATOM 318 CB ASN A 20 5.725 6.170 -10.056 1.00 0.00 C ATOM 319 CG ASN A 20 4.450 6.855 -9.556 1.00 0.00 C ATOM 320 OD1 ASN A 20 4.268 7.096 -8.373 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.584 7.155 -10.519 1.00 0.00 N ATOM 0 H ASN A 20 8.206 6.793 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 20 5.398 6.316 -12.179 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.572 5.091 -10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.539 6.353 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.704 7.615 -10.288 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.800 6.925 -11.489 1.00 0.00 H new ATOM 328 N ASN A 21 6.998 8.794 -12.200 1.00 0.00 N ATOM 329 CA ASN A 21 7.112 10.241 -12.260 1.00 0.00 C ATOM 330 C ASN A 21 6.544 10.738 -13.593 1.00 0.00 C ATOM 331 O ASN A 21 6.451 9.977 -14.554 1.00 0.00 O ATOM 332 CB ASN A 21 8.576 10.682 -12.177 1.00 0.00 C ATOM 333 CG ASN A 21 9.257 10.089 -10.943 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.112 9.222 -11.030 1.00 0.00 O ATOM 335 ND2 ASN A 21 8.834 10.602 -9.791 1.00 0.00 N ATOM 0 H ASN A 21 7.639 8.290 -12.813 1.00 0.00 H new ATOM 0 HA ASN A 21 6.561 10.658 -11.417 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.106 10.367 -13.076 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.630 11.770 -12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.229 10.272 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.115 11.326 -9.788 1.00 0.00 H new ATOM 342 N SER A 22 6.179 12.012 -13.604 1.00 0.00 N ATOM 343 CA SER A 22 5.622 12.619 -14.800 1.00 0.00 C ATOM 344 C SER A 22 6.589 12.445 -15.973 1.00 0.00 C ATOM 345 O SER A 22 6.201 12.601 -17.130 1.00 0.00 O ATOM 346 CB SER A 22 5.320 14.102 -14.576 1.00 0.00 C ATOM 347 OG SER A 22 6.509 14.868 -14.403 1.00 0.00 O ATOM 0 H SER A 22 6.258 12.640 -12.804 1.00 0.00 H new ATOM 0 HA SER A 22 4.683 12.117 -15.033 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.759 14.490 -15.426 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.685 14.214 -13.697 1.00 0.00 H new ATOM 0 HG SER A 22 6.274 15.809 -14.264 1.00 0.00 H new ATOM 353 N LYS A 23 7.829 12.125 -15.635 1.00 0.00 N ATOM 354 CA LYS A 23 8.854 11.929 -16.645 1.00 0.00 C ATOM 355 C LYS A 23 9.029 10.431 -16.904 1.00 0.00 C ATOM 356 O LYS A 23 9.378 10.025 -18.011 1.00 0.00 O ATOM 357 CB LYS A 23 10.148 12.638 -16.241 1.00 0.00 C ATOM 358 CG LYS A 23 11.089 12.785 -17.438 1.00 0.00 C ATOM 359 CD LYS A 23 12.552 12.709 -16.997 1.00 0.00 C ATOM 360 CE LYS A 23 13.346 13.910 -17.517 1.00 0.00 C ATOM 361 NZ LYS A 23 13.119 15.093 -16.656 1.00 0.00 N ATOM 0 H LYS A 23 8.147 11.996 -14.674 1.00 0.00 H new ATOM 0 HA LYS A 23 8.550 12.383 -17.588 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.916 13.622 -15.833 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.644 12.075 -15.451 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.883 12.000 -18.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.904 13.737 -17.936 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.606 12.677 -15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.999 11.786 -17.366 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.409 13.668 -17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.048 14.135 -18.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.665 15.899 -17.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.107 15.332 -16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.426 14.880 -15.685 1.00 0.00 H new ATOM 375 N SER A 24 8.777 9.649 -15.864 1.00 0.00 N ATOM 376 CA SER A 24 8.903 8.206 -15.965 1.00 0.00 C ATOM 377 C SER A 24 7.633 7.533 -15.438 1.00 0.00 C ATOM 378 O SER A 24 7.628 6.983 -14.339 1.00 0.00 O ATOM 379 CB SER A 24 10.127 7.705 -15.196 1.00 0.00 C ATOM 380 OG SER A 24 10.501 8.595 -14.149 1.00 0.00 O ATOM 0 H SER A 24 8.486 9.988 -14.947 1.00 0.00 H new ATOM 0 HA SER A 24 9.036 7.946 -17.015 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.914 6.722 -14.777 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.963 7.584 -15.885 1.00 0.00 H new ATOM 0 HG SER A 24 11.285 8.239 -13.681 1.00 0.00 H new ATOM 386 N THR A 25 6.588 7.598 -16.250 1.00 0.00 N ATOM 387 CA THR A 25 5.315 7.001 -15.881 1.00 0.00 C ATOM 388 C THR A 25 5.172 5.616 -16.514 1.00 0.00 C ATOM 389 O THR A 25 4.743 5.497 -17.662 1.00 0.00 O ATOM 390 CB THR A 25 4.204 7.972 -16.281 1.00 0.00 C ATOM 391 OG1 THR A 25 4.781 9.260 -16.091 1.00 0.00 O ATOM 392 CG2 THR A 25 3.023 7.945 -15.308 1.00 0.00 C ATOM 0 H THR A 25 6.597 8.055 -17.162 1.00 0.00 H new ATOM 0 HA THR A 25 5.251 6.839 -14.805 1.00 0.00 H new ATOM 0 HB THR A 25 3.854 7.727 -17.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.160 9.319 -15.189 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.263 8.653 -15.639 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.597 6.942 -15.280 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.367 8.221 -14.311 1.00 0.00 H new ATOM 400 N TRP A 26 5.537 4.605 -15.741 1.00 0.00 N ATOM 401 CA TRP A 26 5.453 3.233 -16.214 1.00 0.00 C ATOM 402 C TRP A 26 4.432 2.496 -15.346 1.00 0.00 C ATOM 403 O TRP A 26 4.414 2.660 -14.126 1.00 0.00 O ATOM 404 CB TRP A 26 6.831 2.568 -16.210 1.00 0.00 C ATOM 405 CG TRP A 26 7.542 2.601 -17.566 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.864 1.568 -18.354 1.00 0.00 C ATOM 407 CD2 TRP A 26 8.007 3.776 -18.263 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.501 1.987 -19.503 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.591 3.373 -19.448 1.00 0.00 C ATOM 410 CE3 TRP A 26 7.937 5.133 -17.906 1.00 0.00 C ATOM 411 CZ2 TRP A 26 9.149 4.266 -20.370 1.00 0.00 C ATOM 412 CZ3 TRP A 26 8.499 6.014 -18.838 1.00 0.00 C ATOM 413 CH2 TRP A 26 9.090 5.624 -20.034 1.00 0.00 C ATOM 0 H TRP A 26 5.892 4.708 -14.790 1.00 0.00 H new ATOM 0 HA TRP A 26 5.116 3.201 -17.250 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.460 3.062 -15.469 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.722 1.531 -15.894 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.651 0.535 -18.119 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.843 1.389 -20.255 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.485 5.470 -16.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.600 3.926 -21.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.471 7.070 -18.612 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.502 6.366 -20.702 1.00 0.00 H new ATOM 424 N LEU A 27 3.606 1.699 -16.007 1.00 0.00 N ATOM 425 CA LEU A 27 2.584 0.936 -15.312 1.00 0.00 C ATOM 426 C LEU A 27 2.384 -0.407 -16.020 1.00 0.00 C ATOM 427 O LEU A 27 2.882 -0.607 -17.126 1.00 0.00 O ATOM 428 CB LEU A 27 1.301 1.757 -15.179 1.00 0.00 C ATOM 429 CG LEU A 27 0.286 1.606 -16.314 1.00 0.00 C ATOM 430 CD1 LEU A 27 0.986 1.578 -17.674 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.599 0.377 -16.101 1.00 0.00 C ATOM 0 H LEU A 27 3.624 1.565 -17.018 1.00 0.00 H new ATOM 0 HA LEU A 27 2.902 0.715 -14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.813 1.483 -14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.573 2.809 -15.100 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.368 2.478 -16.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.243 1.470 -18.464 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.537 2.507 -17.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.678 0.737 -17.710 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.311 0.294 -16.922 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.023 -0.518 -16.068 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.141 0.477 -15.160 1.00 0.00 H new ATOM 443 N ILE A 28 1.656 -1.288 -15.352 1.00 0.00 N ATOM 444 CA ILE A 28 1.386 -2.605 -15.903 1.00 0.00 C ATOM 445 C ILE A 28 -0.122 -2.768 -16.109 1.00 0.00 C ATOM 446 O ILE A 28 -0.904 -2.546 -15.185 1.00 0.00 O ATOM 447 CB ILE A 28 2.008 -3.692 -15.024 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.294 -3.194 -14.364 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.233 -4.979 -15.822 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.490 -3.838 -12.990 1.00 0.00 C ATOM 0 H ILE A 28 1.245 -1.116 -14.435 1.00 0.00 H new ATOM 0 HA ILE A 28 1.855 -2.712 -16.881 1.00 0.00 H new ATOM 0 HB ILE A 28 1.307 -3.928 -14.223 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.147 -3.424 -15.002 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.257 -2.110 -14.259 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.676 -5.736 -15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.279 -5.342 -16.204 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.905 -4.777 -16.656 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.412 -3.467 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.647 -3.586 -12.347 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.551 -4.921 -13.101 1.00 0.00 H new ATOM 462 N LEU A 29 -0.485 -3.154 -17.322 1.00 0.00 N ATOM 463 CA LEU A 29 -1.884 -3.349 -17.660 1.00 0.00 C ATOM 464 C LEU A 29 -2.091 -4.783 -18.150 1.00 0.00 C ATOM 465 O LEU A 29 -1.341 -5.268 -18.997 1.00 0.00 O ATOM 466 CB LEU A 29 -2.349 -2.284 -18.657 1.00 0.00 C ATOM 467 CG LEU A 29 -3.664 -1.579 -18.321 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.286 -0.955 -19.571 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.630 -2.530 -17.612 1.00 0.00 C ATOM 0 H LEU A 29 0.167 -3.337 -18.085 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.510 -3.220 -16.777 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.567 -1.530 -18.743 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.450 -2.751 -19.636 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.449 -0.765 -17.629 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.220 -0.460 -19.304 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.597 -0.225 -19.995 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.486 -1.735 -20.306 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.557 -2.004 -17.384 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.845 -3.380 -18.260 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.177 -2.885 -16.686 1.00 0.00 H new ATOM 481 N HIS A 30 -3.113 -5.421 -17.598 1.00 0.00 N ATOM 482 CA HIS A 30 -3.428 -6.791 -17.970 1.00 0.00 C ATOM 483 C HIS A 30 -2.317 -7.724 -17.480 1.00 0.00 C ATOM 484 O HIS A 30 -2.557 -8.596 -16.647 1.00 0.00 O ATOM 485 CB HIS A 30 -3.676 -6.902 -19.475 1.00 0.00 C ATOM 486 CG HIS A 30 -4.402 -8.161 -19.885 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.223 -9.373 -19.241 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.309 -8.383 -20.880 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.993 -10.277 -19.831 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.664 -9.662 -20.846 1.00 0.00 N ATOM 0 H HIS A 30 -3.733 -5.016 -16.897 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.354 -7.100 -17.485 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.254 -6.038 -19.803 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.719 -6.861 -19.995 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.676 -7.644 -21.577 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.074 -11.318 -19.556 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.329 -10.111 -21.476 1.00 0.00 H new ATOM 499 N TYR A 31 -1.127 -7.507 -18.020 1.00 0.00 N ATOM 500 CA TYR A 31 0.020 -8.316 -17.650 1.00 0.00 C ATOM 501 C TYR A 31 1.306 -7.767 -18.273 1.00 0.00 C ATOM 502 O TYR A 31 2.389 -8.301 -18.044 1.00 0.00 O ATOM 503 CB TYR A 31 -0.248 -9.713 -18.214 1.00 0.00 C ATOM 504 CG TYR A 31 0.149 -9.878 -19.682 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.473 -10.074 -20.021 1.00 0.00 C ATOM 506 CD2 TYR A 31 -0.816 -9.830 -20.668 1.00 0.00 C ATOM 507 CE1 TYR A 31 1.848 -10.229 -21.403 1.00 0.00 C ATOM 508 CE2 TYR A 31 -0.441 -9.985 -22.051 1.00 0.00 C ATOM 509 CZ TYR A 31 0.872 -10.177 -22.349 1.00 0.00 C ATOM 510 OH TYR A 31 1.226 -10.323 -23.654 1.00 0.00 O ATOM 0 H TYR A 31 -0.933 -6.782 -18.711 1.00 0.00 H new ATOM 0 HA TYR A 31 0.152 -8.319 -16.568 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.296 -10.445 -17.617 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.309 -9.939 -18.108 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.228 -10.111 -19.250 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.852 -9.676 -20.403 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.880 -10.383 -21.682 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.185 -9.949 -22.833 1.00 0.00 H new ATOM 0 HH TYR A 31 1.965 -9.714 -23.863 1.00 0.00 H new ATOM 520 N LYS A 32 1.140 -6.706 -19.049 1.00 0.00 N ATOM 521 CA LYS A 32 2.273 -6.077 -19.708 1.00 0.00 C ATOM 522 C LYS A 32 2.516 -4.698 -19.088 1.00 0.00 C ATOM 523 O LYS A 32 1.738 -4.244 -18.253 1.00 0.00 O ATOM 524 CB LYS A 32 2.060 -6.041 -21.222 1.00 0.00 C ATOM 525 CG LYS A 32 0.605 -5.711 -21.564 1.00 0.00 C ATOM 526 CD LYS A 32 -0.042 -6.849 -22.356 1.00 0.00 C ATOM 527 CE LYS A 32 -1.545 -6.928 -22.072 1.00 0.00 C ATOM 528 NZ LYS A 32 -2.306 -7.030 -23.337 1.00 0.00 N ATOM 0 H LYS A 32 0.239 -6.266 -19.236 1.00 0.00 H new ATOM 0 HA LYS A 32 3.179 -6.663 -19.551 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.720 -5.297 -21.668 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.329 -7.005 -21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.043 -5.535 -20.647 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.564 -4.789 -22.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.123 -6.695 -23.422 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.432 -7.795 -22.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.757 -7.792 -21.442 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.864 -6.044 -21.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.323 -7.083 -23.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.117 -6.193 -23.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.014 -7.886 -23.850 1.00 0.00 H new ATOM 542 N VAL A 33 3.600 -4.073 -19.523 1.00 0.00 N ATOM 543 CA VAL A 33 3.956 -2.757 -19.023 1.00 0.00 C ATOM 544 C VAL A 33 3.809 -1.732 -20.148 1.00 0.00 C ATOM 545 O VAL A 33 4.254 -1.968 -21.271 1.00 0.00 O ATOM 546 CB VAL A 33 5.363 -2.788 -18.421 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.633 -1.530 -17.594 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.574 -4.051 -17.585 1.00 0.00 C ATOM 0 H VAL A 33 4.244 -4.454 -20.217 1.00 0.00 H new ATOM 0 HA VAL A 33 3.281 -2.458 -18.221 1.00 0.00 H new ATOM 0 HB VAL A 33 6.079 -2.808 -19.243 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.639 -1.577 -17.178 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.545 -0.650 -18.231 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.907 -1.465 -16.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.581 -4.048 -17.169 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.846 -4.076 -16.774 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.445 -4.931 -18.216 1.00 0.00 H new ATOM 558 N TYR A 34 3.186 -0.612 -19.809 1.00 0.00 N ATOM 559 CA TYR A 34 2.976 0.451 -20.777 1.00 0.00 C ATOM 560 C TYR A 34 3.644 1.749 -20.321 1.00 0.00 C ATOM 561 O TYR A 34 3.823 1.971 -19.124 1.00 0.00 O ATOM 562 CB TYR A 34 1.462 0.666 -20.845 1.00 0.00 C ATOM 563 CG TYR A 34 0.667 -0.599 -21.173 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.665 -1.661 -20.291 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.047 -0.679 -22.350 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.083 -2.853 -20.600 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.796 -1.870 -22.660 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.777 -2.898 -21.769 1.00 0.00 C ATOM 569 OH TYR A 34 -1.484 -4.022 -22.060 1.00 0.00 O ATOM 0 H TYR A 34 2.820 -0.418 -18.877 1.00 0.00 H new ATOM 0 HA TYR A 34 3.404 0.181 -21.742 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.118 1.061 -19.889 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.247 1.424 -21.599 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.224 -1.598 -19.369 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.045 0.152 -23.040 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.092 -3.691 -19.919 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.359 -1.945 -23.578 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.931 -3.913 -22.925 1.00 0.00 H new ATOM 579 N ASP A 35 3.993 2.571 -21.297 1.00 0.00 N ATOM 580 CA ASP A 35 4.638 3.842 -21.012 1.00 0.00 C ATOM 581 C ASP A 35 3.570 4.919 -20.816 1.00 0.00 C ATOM 582 O ASP A 35 3.180 5.592 -21.769 1.00 0.00 O ATOM 583 CB ASP A 35 5.541 4.276 -22.168 1.00 0.00 C ATOM 584 CG ASP A 35 6.780 5.073 -21.758 1.00 0.00 C ATOM 585 OD1 ASP A 35 6.673 5.814 -20.758 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.807 4.923 -22.455 1.00 0.00 O ATOM 0 H ASP A 35 3.842 2.383 -22.288 1.00 0.00 H new ATOM 0 HA ASP A 35 5.241 3.718 -20.112 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.863 3.387 -22.711 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.954 4.878 -22.861 1.00 0.00 H new ATOM 591 N LEU A 36 3.125 5.048 -19.573 1.00 0.00 N ATOM 592 CA LEU A 36 2.109 6.032 -19.241 1.00 0.00 C ATOM 593 C LEU A 36 2.588 7.419 -19.673 1.00 0.00 C ATOM 594 O LEU A 36 1.788 8.251 -20.101 1.00 0.00 O ATOM 595 CB LEU A 36 1.740 5.942 -17.759 1.00 0.00 C ATOM 596 CG LEU A 36 0.795 4.803 -17.371 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.092 5.100 -16.045 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.201 4.509 -18.495 1.00 0.00 C ATOM 0 H LEU A 36 3.450 4.487 -18.785 1.00 0.00 H new ATOM 0 HA LEU A 36 1.188 5.828 -19.788 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.659 5.838 -17.182 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.282 6.885 -17.461 1.00 0.00 H new ATOM 0 HG LEU A 36 1.390 3.902 -17.224 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.574 4.274 -15.793 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.836 5.220 -15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.488 6.018 -16.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.861 3.695 -18.193 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.794 5.401 -18.698 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.341 4.221 -19.396 1.00 0.00 H new ATOM 610 N THR A 37 3.890 7.628 -19.543 1.00 0.00 N ATOM 611 CA THR A 37 4.485 8.900 -19.914 1.00 0.00 C ATOM 612 C THR A 37 4.053 9.300 -21.326 1.00 0.00 C ATOM 613 O THR A 37 4.113 10.473 -21.689 1.00 0.00 O ATOM 614 CB THR A 37 6.002 8.778 -19.753 1.00 0.00 C ATOM 615 OG1 THR A 37 6.275 9.445 -18.525 1.00 0.00 O ATOM 616 CG2 THR A 37 6.769 9.591 -20.798 1.00 0.00 C ATOM 0 H THR A 37 4.550 6.937 -19.186 1.00 0.00 H new ATOM 0 HA THR A 37 4.139 9.703 -19.263 1.00 0.00 H new ATOM 0 HB THR A 37 6.292 7.730 -19.825 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.525 9.314 -17.908 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.840 9.470 -20.639 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.508 9.239 -21.796 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.505 10.645 -20.705 1.00 0.00 H new ATOM 624 N LYS A 38 3.630 8.300 -22.086 1.00 0.00 N ATOM 625 CA LYS A 38 3.188 8.532 -23.451 1.00 0.00 C ATOM 626 C LYS A 38 1.699 8.878 -23.449 1.00 0.00 C ATOM 627 O LYS A 38 1.258 9.742 -24.206 1.00 0.00 O ATOM 628 CB LYS A 38 3.541 7.335 -24.338 1.00 0.00 C ATOM 629 CG LYS A 38 3.976 7.796 -25.731 1.00 0.00 C ATOM 630 CD LYS A 38 4.717 6.680 -26.471 1.00 0.00 C ATOM 631 CE LYS A 38 6.168 7.075 -26.748 1.00 0.00 C ATOM 632 NZ LYS A 38 7.022 5.870 -26.855 1.00 0.00 N ATOM 0 H LYS A 38 3.584 7.327 -21.782 1.00 0.00 H new ATOM 0 HA LYS A 38 3.712 9.385 -23.882 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.342 6.758 -23.875 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.679 6.673 -24.422 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.102 8.101 -26.307 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.621 8.670 -25.644 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.692 5.766 -25.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.210 6.463 -27.411 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.224 7.651 -27.672 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.535 7.718 -25.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.004 6.156 -27.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.982 5.336 -25.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.681 5.271 -27.633 1.00 0.00 H new ATOM 646 N PHE A 39 0.965 8.187 -22.590 1.00 0.00 N ATOM 647 CA PHE A 39 -0.468 8.412 -22.480 1.00 0.00 C ATOM 648 C PHE A 39 -0.763 9.683 -21.681 1.00 0.00 C ATOM 649 O PHE A 39 -1.828 10.281 -21.833 1.00 0.00 O ATOM 650 CB PHE A 39 -1.052 7.209 -21.736 1.00 0.00 C ATOM 651 CG PHE A 39 -2.518 6.925 -22.069 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.465 7.870 -21.827 1.00 0.00 C ATOM 653 CD2 PHE A 39 -2.875 5.728 -22.606 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.827 7.607 -22.135 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.235 5.464 -22.914 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.182 6.409 -22.672 1.00 0.00 C ATOM 0 H PHE A 39 1.334 7.472 -21.964 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.905 8.529 -23.472 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.459 6.326 -21.972 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.960 7.378 -20.663 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.182 8.821 -21.400 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.123 4.977 -22.798 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.579 8.358 -21.943 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.518 4.513 -23.340 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.217 6.208 -22.906 1.00 0.00 H new ATOM 666 N LEU A 40 0.198 10.059 -20.850 1.00 0.00 N ATOM 667 CA LEU A 40 0.053 11.248 -20.028 1.00 0.00 C ATOM 668 C LEU A 40 -0.805 12.275 -20.770 1.00 0.00 C ATOM 669 O LEU A 40 -1.760 12.810 -20.211 1.00 0.00 O ATOM 670 CB LEU A 40 1.425 11.782 -19.611 1.00 0.00 C ATOM 671 CG LEU A 40 2.036 11.155 -18.355 1.00 0.00 C ATOM 672 CD1 LEU A 40 3.295 11.908 -17.923 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.003 11.071 -17.229 1.00 0.00 C ATOM 0 H LEU A 40 1.080 9.561 -20.728 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.466 11.008 -19.100 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.117 11.635 -20.440 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.341 12.857 -19.452 1.00 0.00 H new ATOM 0 HG LEU A 40 2.338 10.135 -18.593 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.709 11.442 -17.029 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.033 11.873 -18.725 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.042 12.946 -17.707 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.461 10.622 -16.348 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.650 12.073 -16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.161 10.458 -17.552 1.00 0.00 H new ATOM 685 N GLU A 41 -0.434 12.517 -22.019 1.00 0.00 N ATOM 686 CA GLU A 41 -1.158 13.469 -22.843 1.00 0.00 C ATOM 687 C GLU A 41 -2.632 13.072 -22.942 1.00 0.00 C ATOM 688 O GLU A 41 -3.515 13.851 -22.583 1.00 0.00 O ATOM 689 CB GLU A 41 -0.526 13.585 -24.232 1.00 0.00 C ATOM 690 CG GLU A 41 -0.162 15.037 -24.550 1.00 0.00 C ATOM 691 CD GLU A 41 0.375 15.167 -25.976 1.00 0.00 C ATOM 692 OE1 GLU A 41 1.564 14.833 -26.168 1.00 0.00 O ATOM 693 OE2 GLU A 41 -0.415 15.599 -26.844 1.00 0.00 O ATOM 0 H GLU A 41 0.359 12.070 -22.480 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.097 14.449 -22.370 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.368 12.963 -24.282 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.219 13.207 -24.984 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.040 15.671 -24.429 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.587 15.392 -23.842 1.00 0.00 H new ATOM 700 N GLU A 42 -2.854 11.861 -23.434 1.00 0.00 N ATOM 701 CA GLU A 42 -4.205 11.351 -23.586 1.00 0.00 C ATOM 702 C GLU A 42 -4.861 11.167 -22.215 1.00 0.00 C ATOM 703 O GLU A 42 -4.276 11.518 -21.191 1.00 0.00 O ATOM 704 CB GLU A 42 -4.212 10.042 -24.376 1.00 0.00 C ATOM 705 CG GLU A 42 -4.235 10.311 -25.883 1.00 0.00 C ATOM 706 CD GLU A 42 -2.887 9.973 -26.522 1.00 0.00 C ATOM 707 OE1 GLU A 42 -2.036 10.888 -26.569 1.00 0.00 O ATOM 708 OE2 GLU A 42 -2.736 8.808 -26.948 1.00 0.00 O ATOM 0 H GLU A 42 -2.120 11.219 -23.732 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.786 12.081 -24.150 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.330 9.455 -24.121 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.082 9.448 -24.096 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.021 9.718 -26.350 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.475 11.358 -26.065 1.00 0.00 H new ATOM 715 N HIS A 43 -6.065 10.616 -22.240 1.00 0.00 N ATOM 716 CA HIS A 43 -6.805 10.380 -21.013 1.00 0.00 C ATOM 717 C HIS A 43 -7.566 11.648 -20.620 1.00 0.00 C ATOM 718 O HIS A 43 -7.006 12.744 -20.639 1.00 0.00 O ATOM 719 CB HIS A 43 -5.875 9.880 -19.904 1.00 0.00 C ATOM 720 CG HIS A 43 -6.536 8.933 -18.930 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.491 9.342 -18.016 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.366 7.594 -18.738 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.873 8.288 -17.311 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.174 7.206 -17.758 1.00 0.00 N ATOM 0 H HIS A 43 -6.547 10.326 -23.091 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.540 9.591 -21.175 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.020 9.379 -20.359 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.487 10.738 -19.355 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.841 10.293 -17.904 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.690 6.957 -19.289 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.609 8.286 -16.521 1.00 0.00 H new ATOM 733 N PRO A 44 -8.864 11.453 -20.266 1.00 0.00 N ATOM 734 CA PRO A 44 -9.708 12.568 -19.870 1.00 0.00 C ATOM 735 C PRO A 44 -9.360 13.047 -18.460 1.00 0.00 C ATOM 736 O PRO A 44 -9.120 14.234 -18.245 1.00 0.00 O ATOM 737 CB PRO A 44 -11.130 12.045 -19.986 1.00 0.00 C ATOM 738 CG PRO A 44 -11.019 10.530 -19.991 1.00 0.00 C ATOM 739 CD PRO A 44 -9.562 10.171 -20.233 1.00 0.00 C ATOM 0 HA PRO A 44 -9.568 13.446 -20.501 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.742 12.389 -19.152 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.605 12.405 -20.899 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.361 10.119 -19.041 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.652 10.103 -20.769 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.175 9.530 -19.441 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.438 9.629 -21.170 1.00 0.00 H new ATOM 747 N GLY A 45 -9.342 12.099 -17.535 1.00 0.00 N ATOM 748 CA GLY A 45 -9.027 12.408 -16.152 1.00 0.00 C ATOM 749 C GLY A 45 -7.858 13.393 -16.062 1.00 0.00 C ATOM 750 O GLY A 45 -8.046 14.553 -15.698 1.00 0.00 O ATOM 0 H GLY A 45 -9.541 11.115 -17.717 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.903 12.832 -15.662 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.776 11.491 -15.619 1.00 0.00 H new ATOM 754 N GLY A 46 -6.679 12.894 -16.401 1.00 0.00 N ATOM 755 CA GLY A 46 -5.481 13.716 -16.365 1.00 0.00 C ATOM 756 C GLY A 46 -4.228 12.852 -16.206 1.00 0.00 C ATOM 757 O GLY A 46 -4.311 11.708 -15.759 1.00 0.00 O ATOM 0 H GLY A 46 -6.527 11.931 -16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.410 14.301 -17.282 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.546 14.424 -15.539 1.00 0.00 H new ATOM 761 N GLU A 47 -3.097 13.432 -16.582 1.00 0.00 N ATOM 762 CA GLU A 47 -1.829 12.728 -16.488 1.00 0.00 C ATOM 763 C GLU A 47 -1.789 11.873 -15.220 1.00 0.00 C ATOM 764 O GLU A 47 -1.454 10.690 -15.275 1.00 0.00 O ATOM 765 CB GLU A 47 -0.656 13.709 -16.524 1.00 0.00 C ATOM 766 CG GLU A 47 -0.323 14.112 -17.963 1.00 0.00 C ATOM 767 CD GLU A 47 -1.256 15.223 -18.451 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.482 14.973 -18.451 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.725 16.293 -18.812 1.00 0.00 O ATOM 0 H GLU A 47 -3.032 14.380 -16.952 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.737 12.068 -17.350 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.902 14.597 -15.941 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.218 13.254 -16.058 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.712 14.450 -18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.411 13.245 -18.617 1.00 0.00 H new ATOM 776 N GLU A 48 -2.137 12.504 -14.107 1.00 0.00 N ATOM 777 CA GLU A 48 -2.145 11.815 -12.829 1.00 0.00 C ATOM 778 C GLU A 48 -2.895 10.487 -12.945 1.00 0.00 C ATOM 779 O GLU A 48 -2.398 9.448 -12.512 1.00 0.00 O ATOM 780 CB GLU A 48 -2.754 12.695 -11.736 1.00 0.00 C ATOM 781 CG GLU A 48 -1.829 12.781 -10.521 1.00 0.00 C ATOM 782 CD GLU A 48 -1.843 14.188 -9.920 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.973 15.144 -10.714 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.723 14.275 -8.678 1.00 0.00 O ATOM 0 H GLU A 48 -2.415 13.484 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.114 11.603 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.937 13.695 -12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.720 12.290 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.143 12.057 -9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.813 12.517 -10.814 1.00 0.00 H new ATOM 791 N VAL A 49 -4.080 10.564 -13.533 1.00 0.00 N ATOM 792 CA VAL A 49 -4.904 9.380 -13.711 1.00 0.00 C ATOM 793 C VAL A 49 -4.010 8.187 -14.055 1.00 0.00 C ATOM 794 O VAL A 49 -4.319 7.052 -13.699 1.00 0.00 O ATOM 795 CB VAL A 49 -5.980 9.645 -14.767 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.413 9.479 -16.179 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.195 8.741 -14.553 1.00 0.00 C ATOM 0 H VAL A 49 -4.489 11.427 -13.892 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.427 9.137 -12.786 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.310 10.678 -14.657 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.197 9.673 -16.911 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.595 10.184 -16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.042 8.462 -16.305 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.944 8.951 -15.317 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.889 7.697 -14.622 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.620 8.930 -13.567 1.00 0.00 H new ATOM 807 N LEU A 50 -2.918 8.487 -14.745 1.00 0.00 N ATOM 808 CA LEU A 50 -1.978 7.455 -15.142 1.00 0.00 C ATOM 809 C LEU A 50 -0.805 7.433 -14.157 1.00 0.00 C ATOM 810 O LEU A 50 -0.282 6.368 -13.834 1.00 0.00 O ATOM 811 CB LEU A 50 -1.553 7.646 -16.599 1.00 0.00 C ATOM 812 CG LEU A 50 -2.684 7.676 -17.629 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.595 8.926 -18.506 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.700 6.392 -18.462 1.00 0.00 C ATOM 0 H LEU A 50 -2.665 9.430 -15.038 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.451 6.474 -15.099 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.995 8.579 -16.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.867 6.842 -16.865 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.632 7.726 -17.094 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.411 8.922 -19.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.669 9.815 -17.880 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.642 8.933 -19.034 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.513 6.438 -19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.751 6.288 -18.988 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.847 5.534 -17.806 1.00 0.00 H new ATOM 826 N ARG A 51 -0.431 8.621 -13.709 1.00 0.00 N ATOM 827 CA ARG A 51 0.669 8.753 -12.769 1.00 0.00 C ATOM 828 C ARG A 51 0.303 8.109 -11.430 1.00 0.00 C ATOM 829 O ARG A 51 1.122 7.423 -10.822 1.00 0.00 O ATOM 830 CB ARG A 51 1.025 10.223 -12.539 1.00 0.00 C ATOM 831 CG ARG A 51 2.535 10.399 -12.353 1.00 0.00 C ATOM 832 CD ARG A 51 2.843 11.131 -11.046 1.00 0.00 C ATOM 833 NE ARG A 51 3.564 12.392 -11.329 1.00 0.00 N ATOM 834 CZ ARG A 51 3.698 13.395 -10.452 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.159 13.292 -9.229 1.00 0.00 N ATOM 836 NH2 ARG A 51 4.368 14.503 -10.796 1.00 0.00 N ATOM 0 H ARG A 51 -0.870 9.501 -13.979 1.00 0.00 H new ATOM 0 HA ARG A 51 1.533 8.245 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.687 10.820 -13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.501 10.594 -11.659 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.021 9.423 -12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.946 10.959 -13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.917 11.344 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.446 10.496 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 51 3.986 12.504 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.647 12.450 -8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.261 14.056 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.777 14.583 -11.727 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.469 15.266 -10.127 1.00 0.00 H new ATOM 850 N GLU A 52 -0.930 8.355 -11.009 1.00 0.00 N ATOM 851 CA GLU A 52 -1.415 7.807 -9.754 1.00 0.00 C ATOM 852 C GLU A 52 -1.427 6.278 -9.811 1.00 0.00 C ATOM 853 O GLU A 52 -1.541 5.617 -8.781 1.00 0.00 O ATOM 854 CB GLU A 52 -2.804 8.355 -9.419 1.00 0.00 C ATOM 855 CG GLU A 52 -3.844 7.869 -10.430 1.00 0.00 C ATOM 856 CD GLU A 52 -5.087 8.760 -10.407 1.00 0.00 C ATOM 857 OE1 GLU A 52 -4.907 9.984 -10.235 1.00 0.00 O ATOM 858 OE2 GLU A 52 -6.193 8.196 -10.563 1.00 0.00 O ATOM 0 H GLU A 52 -1.607 8.926 -11.515 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.737 8.115 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.091 8.039 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.778 9.445 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.411 7.868 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.125 6.841 -10.203 1.00 0.00 H new ATOM 865 N GLN A 53 -1.307 5.762 -11.025 1.00 0.00 N ATOM 866 CA GLN A 53 -1.302 4.324 -11.230 1.00 0.00 C ATOM 867 C GLN A 53 0.100 3.846 -11.612 1.00 0.00 C ATOM 868 O GLN A 53 0.431 2.675 -11.432 1.00 0.00 O ATOM 869 CB GLN A 53 -2.330 3.917 -12.289 1.00 0.00 C ATOM 870 CG GLN A 53 -2.070 4.642 -13.611 1.00 0.00 C ATOM 871 CD GLN A 53 -3.106 4.250 -14.664 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.980 3.253 -15.357 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.137 5.087 -14.747 1.00 0.00 N ATOM 0 H GLN A 53 -1.212 6.314 -11.877 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.585 3.842 -10.294 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.288 2.839 -12.447 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.334 4.149 -11.934 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.099 5.720 -13.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.070 4.400 -13.972 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.181 5.903 -14.137 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.883 4.912 -15.420 1.00 0.00 H new ATOM 882 N ALA A 54 0.885 4.778 -12.134 1.00 0.00 N ATOM 883 CA ALA A 54 2.243 4.466 -12.544 1.00 0.00 C ATOM 884 C ALA A 54 3.070 4.090 -11.313 1.00 0.00 C ATOM 885 O ALA A 54 3.055 4.801 -10.308 1.00 0.00 O ATOM 886 CB ALA A 54 2.835 5.658 -13.299 1.00 0.00 C ATOM 0 H ALA A 54 0.606 5.748 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 54 2.252 3.612 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.854 5.424 -13.607 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.229 5.868 -14.180 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.844 6.533 -12.648 1.00 0.00 H new ATOM 892 N GLY A 55 3.773 2.972 -11.431 1.00 0.00 N ATOM 893 CA GLY A 55 4.604 2.493 -10.339 1.00 0.00 C ATOM 894 C GLY A 55 4.249 1.050 -9.972 1.00 0.00 C ATOM 895 O GLY A 55 4.631 0.565 -8.909 1.00 0.00 O ATOM 0 H GLY A 55 3.784 2.385 -12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.654 2.552 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.473 3.136 -9.469 1.00 0.00 H new ATOM 899 N GLY A 56 3.521 0.407 -10.873 1.00 0.00 N ATOM 900 CA GLY A 56 3.110 -0.970 -10.659 1.00 0.00 C ATOM 901 C GLY A 56 1.892 -1.319 -11.517 1.00 0.00 C ATOM 902 O GLY A 56 1.509 -0.552 -12.398 1.00 0.00 O ATOM 0 H GLY A 56 3.205 0.814 -11.753 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.934 -1.641 -10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.873 -1.123 -9.606 1.00 0.00 H new ATOM 906 N ASP A 57 1.320 -2.479 -11.231 1.00 0.00 N ATOM 907 CA ASP A 57 0.154 -2.940 -11.967 1.00 0.00 C ATOM 908 C ASP A 57 -1.019 -1.998 -11.696 1.00 0.00 C ATOM 909 O ASP A 57 -1.407 -1.798 -10.546 1.00 0.00 O ATOM 910 CB ASP A 57 -0.256 -4.346 -11.523 1.00 0.00 C ATOM 911 CG ASP A 57 -1.764 -4.563 -11.376 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.500 -4.033 -12.236 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.145 -5.256 -10.409 1.00 0.00 O ATOM 0 H ASP A 57 1.642 -3.114 -10.500 1.00 0.00 H new ATOM 0 HA ASP A 57 0.408 -2.956 -13.027 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.131 -5.066 -12.244 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.222 -4.563 -10.568 1.00 0.00 H new ATOM 918 N ALA A 58 -1.552 -1.444 -12.775 1.00 0.00 N ATOM 919 CA ALA A 58 -2.676 -0.527 -12.668 1.00 0.00 C ATOM 920 C ALA A 58 -3.960 -1.252 -13.072 1.00 0.00 C ATOM 921 O ALA A 58 -5.059 -0.818 -12.724 1.00 0.00 O ATOM 922 CB ALA A 58 -2.409 0.709 -13.529 1.00 0.00 C ATOM 0 H ALA A 58 -1.227 -1.612 -13.727 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.799 -0.188 -11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.251 1.397 -13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.502 1.204 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.284 0.408 -14.569 1.00 0.00 H new ATOM 928 N THR A 59 -3.783 -2.344 -13.800 1.00 0.00 N ATOM 929 CA THR A 59 -4.915 -3.134 -14.255 1.00 0.00 C ATOM 930 C THR A 59 -5.885 -3.389 -13.099 1.00 0.00 C ATOM 931 O THR A 59 -7.099 -3.304 -13.274 1.00 0.00 O ATOM 932 CB THR A 59 -4.373 -4.416 -14.887 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.316 -4.724 -15.911 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.448 -5.615 -13.939 1.00 0.00 C ATOM 0 H THR A 59 -2.872 -2.701 -14.087 1.00 0.00 H new ATOM 0 HA THR A 59 -5.492 -2.601 -15.011 1.00 0.00 H new ATOM 0 HB THR A 59 -3.338 -4.260 -15.193 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.350 -5.694 -16.043 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.050 -6.499 -14.438 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.861 -5.409 -13.044 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.486 -5.793 -13.659 1.00 0.00 H new ATOM 942 N GLU A 60 -5.312 -3.697 -11.945 1.00 0.00 N ATOM 943 CA GLU A 60 -6.111 -3.965 -10.762 1.00 0.00 C ATOM 944 C GLU A 60 -7.116 -2.836 -10.532 1.00 0.00 C ATOM 945 O GLU A 60 -8.231 -3.076 -10.071 1.00 0.00 O ATOM 946 CB GLU A 60 -5.220 -4.166 -9.533 1.00 0.00 C ATOM 947 CG GLU A 60 -4.165 -3.064 -9.435 1.00 0.00 C ATOM 948 CD GLU A 60 -4.434 -2.149 -8.239 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.217 -1.193 -8.420 1.00 0.00 O ATOM 950 OE2 GLU A 60 -3.852 -2.429 -7.169 1.00 0.00 O ATOM 0 H GLU A 60 -4.304 -3.767 -11.804 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.665 -4.889 -10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.833 -4.169 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.731 -5.139 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.175 -3.511 -9.340 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.162 -2.476 -10.353 1.00 0.00 H new ATOM 957 N ASN A 61 -6.686 -1.628 -10.865 1.00 0.00 N ATOM 958 CA ASN A 61 -7.534 -0.459 -10.700 1.00 0.00 C ATOM 959 C ASN A 61 -8.250 -0.165 -12.021 1.00 0.00 C ATOM 960 O ASN A 61 -9.467 0.023 -12.042 1.00 0.00 O ATOM 961 CB ASN A 61 -6.709 0.773 -10.326 1.00 0.00 C ATOM 962 CG ASN A 61 -7.245 1.426 -9.051 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.441 1.516 -8.824 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.297 1.874 -8.232 1.00 0.00 N ATOM 0 H ASN A 61 -5.761 -1.433 -11.248 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.247 -0.670 -9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.667 0.487 -10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.732 1.492 -11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.553 2.325 -7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.314 1.767 -8.483 1.00 0.00 H new ATOM 971 N PHE A 62 -7.467 -0.135 -13.088 1.00 0.00 N ATOM 972 CA PHE A 62 -8.011 0.134 -14.409 1.00 0.00 C ATOM 973 C PHE A 62 -9.169 -0.814 -14.727 1.00 0.00 C ATOM 974 O PHE A 62 -9.959 -0.553 -15.632 1.00 0.00 O ATOM 975 CB PHE A 62 -6.882 -0.104 -15.413 1.00 0.00 C ATOM 976 CG PHE A 62 -7.314 -0.876 -16.662 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.675 -2.184 -16.562 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.336 -0.256 -17.873 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.075 -2.901 -17.721 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.736 -0.973 -19.031 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.097 -2.280 -18.931 1.00 0.00 C ATOM 0 H PHE A 62 -6.459 -0.292 -13.066 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.389 1.155 -14.456 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.471 0.859 -15.717 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.079 -0.652 -14.919 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.657 -2.677 -15.601 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.049 0.782 -17.953 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.362 -3.939 -17.642 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.754 -0.480 -19.992 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.401 -2.825 -19.812 1.00 0.00 H new ATOM 991 N GLU A 63 -9.234 -1.896 -13.964 1.00 0.00 N ATOM 992 CA GLU A 63 -10.282 -2.884 -14.153 1.00 0.00 C ATOM 993 C GLU A 63 -11.580 -2.413 -13.495 1.00 0.00 C ATOM 994 O GLU A 63 -12.667 -2.626 -14.031 1.00 0.00 O ATOM 995 CB GLU A 63 -9.854 -4.248 -13.610 1.00 0.00 C ATOM 996 CG GLU A 63 -9.320 -5.142 -14.730 1.00 0.00 C ATOM 997 CD GLU A 63 -10.463 -5.859 -15.452 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.131 -5.185 -16.267 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.644 -7.063 -15.173 1.00 0.00 O ATOM 0 H GLU A 63 -8.577 -2.110 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.460 -2.996 -15.222 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.086 -4.115 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.702 -4.733 -13.126 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.756 -4.540 -15.443 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.629 -5.877 -14.316 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.426 -1.783 -12.339 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.573 -1.281 -11.601 1.00 0.00 C ATOM 1008 C ASP A 64 -13.217 -0.137 -12.385 1.00 0.00 C ATOM 1009 O ASP A 64 -14.441 -0.024 -12.431 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.151 -0.738 -10.234 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.019 -1.198 -9.061 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -13.389 -2.393 -9.063 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.292 -0.347 -8.188 1.00 0.00 O ATOM 0 H ASP A 64 -10.524 -1.609 -11.895 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.273 -2.105 -11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.120 -1.037 -10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.165 0.351 -10.272 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.365 0.681 -12.985 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.837 1.813 -13.765 1.00 0.00 C ATOM 1020 C VAL A 65 -13.381 1.311 -15.104 1.00 0.00 C ATOM 1021 O VAL A 65 -13.857 2.100 -15.920 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.716 2.843 -13.924 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.343 2.174 -13.849 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.874 3.627 -15.227 1.00 0.00 C ATOM 0 H VAL A 65 -11.350 0.583 -12.947 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.654 2.318 -13.250 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.789 3.550 -13.097 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.564 2.928 -13.965 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.231 1.681 -12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.254 1.435 -14.646 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.065 4.352 -15.316 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.839 2.939 -16.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.831 4.149 -15.224 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.295 0.002 -15.289 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.773 -0.615 -16.515 1.00 0.00 C ATOM 1036 C GLY A 66 -13.507 0.287 -17.721 1.00 0.00 C ATOM 1037 O GLY A 66 -14.336 1.126 -18.070 1.00 0.00 O ATOM 0 H GLY A 66 -12.901 -0.649 -14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.280 -1.576 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.842 -0.814 -16.434 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.346 0.084 -18.327 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.960 0.867 -19.488 1.00 0.00 C ATOM 1043 C HIS A 67 -12.628 0.294 -20.738 1.00 0.00 C ATOM 1044 O HIS A 67 -13.363 -0.688 -20.660 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.436 0.942 -19.610 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.787 1.885 -18.625 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.310 1.470 -17.393 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.540 3.224 -18.703 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.801 2.521 -16.766 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.946 3.608 -17.580 1.00 0.00 N ATOM 0 H HIS A 67 -11.660 -0.612 -18.035 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.308 1.893 -19.372 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.021 -0.056 -19.469 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.178 1.255 -20.622 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.344 0.517 -17.030 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.786 3.864 -19.538 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.351 2.518 -15.784 1.00 0.00 H new ATOM 1059 N SER A 68 -12.346 0.932 -21.866 1.00 0.00 N ATOM 1060 CA SER A 68 -12.911 0.499 -23.132 1.00 0.00 C ATOM 1061 C SER A 68 -11.846 -0.224 -23.959 1.00 0.00 C ATOM 1062 O SER A 68 -10.654 0.046 -23.815 1.00 0.00 O ATOM 1063 CB SER A 68 -13.479 1.683 -23.917 1.00 0.00 C ATOM 1064 OG SER A 68 -12.476 2.347 -24.681 1.00 0.00 O ATOM 0 H SER A 68 -11.734 1.745 -21.928 1.00 0.00 H new ATOM 0 HA SER A 68 -13.730 -0.189 -22.923 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.268 1.332 -24.582 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.936 2.391 -23.225 1.00 0.00 H new ATOM 0 HG SER A 68 -12.174 3.146 -24.200 1.00 0.00 H new ATOM 1070 N THR A 69 -12.313 -1.128 -24.807 1.00 0.00 N ATOM 1071 CA THR A 69 -11.415 -1.891 -25.658 1.00 0.00 C ATOM 1072 C THR A 69 -10.497 -0.952 -26.443 1.00 0.00 C ATOM 1073 O THR A 69 -9.414 -1.351 -26.870 1.00 0.00 O ATOM 1074 CB THR A 69 -12.266 -2.796 -26.552 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.554 -3.925 -25.732 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.470 -3.378 -27.722 1.00 0.00 C ATOM 0 H THR A 69 -13.302 -1.350 -24.923 1.00 0.00 H new ATOM 0 HA THR A 69 -10.752 -2.523 -25.067 1.00 0.00 H new ATOM 0 HB THR A 69 -13.115 -2.231 -26.936 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.104 -4.562 -26.234 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.120 -4.012 -28.325 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.082 -2.566 -28.338 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.640 -3.971 -27.338 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.962 0.277 -26.608 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.195 1.276 -27.333 1.00 0.00 C ATOM 1086 C ASP A 70 -9.029 1.748 -26.462 1.00 0.00 C ATOM 1087 O ASP A 70 -7.879 1.741 -26.900 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.058 2.494 -27.670 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.381 3.539 -28.560 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.362 4.101 -28.100 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.897 3.754 -29.677 1.00 0.00 O ATOM 0 H ASP A 70 -11.860 0.604 -26.252 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.836 0.822 -28.257 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.967 2.151 -28.165 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.363 2.973 -26.740 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.366 2.150 -25.245 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.362 2.626 -24.309 1.00 0.00 C ATOM 1098 C ALA A 71 -7.242 1.588 -24.197 1.00 0.00 C ATOM 1099 O ALA A 71 -6.063 1.935 -24.240 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.019 2.920 -22.960 1.00 0.00 C ATOM 0 H ALA A 71 -10.321 2.156 -24.886 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.917 3.555 -24.665 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.265 3.277 -22.258 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.786 3.683 -23.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.474 2.009 -22.571 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.652 0.336 -24.057 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.699 -0.754 -23.939 1.00 0.00 C ATOM 1108 C ARG A 72 -5.864 -0.870 -25.216 1.00 0.00 C ATOM 1109 O ARG A 72 -4.646 -1.032 -25.153 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.412 -2.084 -23.681 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.410 -1.957 -22.529 1.00 0.00 C ATOM 1112 CD ARG A 72 -9.040 -3.310 -22.200 1.00 0.00 C ATOM 1113 NE ARG A 72 -8.006 -4.243 -21.698 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.270 -5.446 -21.171 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.537 -5.872 -21.075 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.268 -6.225 -20.743 1.00 0.00 N ATOM 0 H ARG A 72 -8.631 0.052 -24.023 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.047 -0.534 -23.093 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.932 -2.403 -24.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.678 -2.855 -23.447 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.905 -1.563 -21.647 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.190 -1.244 -22.795 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.822 -3.184 -21.451 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.515 -3.725 -23.089 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.030 -3.951 -21.757 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.300 -5.280 -21.403 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.738 -6.788 -20.674 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.303 -5.902 -20.818 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.470 -7.141 -20.342 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.552 -0.780 -26.345 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.888 -0.873 -27.634 1.00 0.00 C ATOM 1132 C GLU A 73 -4.836 0.231 -27.771 1.00 0.00 C ATOM 1133 O GLU A 73 -3.707 -0.032 -28.179 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.903 -0.808 -28.778 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.468 -1.695 -29.946 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.502 -1.662 -31.075 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.568 -2.286 -30.886 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.202 -1.012 -32.099 1.00 0.00 O ATOM 0 H GLU A 73 -7.562 -0.644 -26.394 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.383 -1.837 -27.693 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.882 -1.127 -28.419 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.008 0.222 -29.118 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.502 -1.358 -30.323 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.335 -2.720 -29.599 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.247 1.441 -27.420 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.354 2.584 -27.499 1.00 0.00 C ATOM 1147 C LEU A 74 -3.103 2.308 -26.662 1.00 0.00 C ATOM 1148 O LEU A 74 -1.992 2.647 -27.069 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.088 3.865 -27.100 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.808 4.389 -25.690 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.617 5.350 -25.688 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -6.059 5.026 -25.082 1.00 0.00 C ATOM 0 H LEU A 74 -6.185 1.654 -27.081 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.024 2.738 -28.526 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.828 4.646 -27.814 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.160 3.690 -27.195 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.539 3.542 -25.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.440 5.708 -24.674 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.730 4.831 -26.050 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.832 6.197 -26.339 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.832 5.390 -24.080 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.383 5.859 -25.706 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.855 4.283 -25.026 1.00 0.00 H new ATOM 1164 N SER A 75 -3.325 1.694 -25.510 1.00 0.00 N ATOM 1165 CA SER A 75 -2.229 1.367 -24.612 1.00 0.00 C ATOM 1166 C SER A 75 -1.238 0.436 -25.314 1.00 0.00 C ATOM 1167 O SER A 75 -0.033 0.515 -25.079 1.00 0.00 O ATOM 1168 CB SER A 75 -2.745 0.721 -23.325 1.00 0.00 C ATOM 1169 OG SER A 75 -4.167 0.694 -23.274 1.00 0.00 O ATOM 0 H SER A 75 -4.247 1.414 -25.177 1.00 0.00 H new ATOM 0 HA SER A 75 -1.720 2.292 -24.342 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.360 -0.296 -23.251 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.362 1.270 -22.465 1.00 0.00 H new ATOM 0 HG SER A 75 -4.522 1.550 -23.592 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.782 -0.426 -26.160 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.962 -1.372 -26.897 1.00 0.00 C ATOM 1177 C LYS A 76 0.022 -0.604 -27.783 1.00 0.00 C ATOM 1178 O LYS A 76 0.993 -1.175 -28.275 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.842 -2.359 -27.668 1.00 0.00 C ATOM 1180 CG LYS A 76 -2.057 -1.892 -29.108 1.00 0.00 C ATOM 1181 CD LYS A 76 -1.116 -2.624 -30.068 1.00 0.00 C ATOM 1182 CE LYS A 76 -1.157 -1.994 -31.462 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.197 -2.642 -32.292 1.00 0.00 N ATOM 0 H LYS A 76 -2.782 -0.489 -26.352 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.370 -1.978 -26.211 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.376 -3.344 -27.667 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.805 -2.461 -27.167 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.092 -2.070 -29.401 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.887 -0.817 -29.175 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.098 -2.592 -29.680 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.400 -3.674 -30.131 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.362 -0.927 -31.379 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.184 -2.096 -31.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.212 -2.203 -33.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.985 -3.656 -32.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.126 -2.523 -31.840 1.00 0.00 H new ATOM 1197 N THR A 77 -0.264 0.678 -27.958 1.00 0.00 N ATOM 1198 CA THR A 77 0.583 1.528 -28.776 1.00 0.00 C ATOM 1199 C THR A 77 1.697 2.144 -27.928 1.00 0.00 C ATOM 1200 O THR A 77 2.706 2.606 -28.460 1.00 0.00 O ATOM 1201 CB THR A 77 -0.308 2.570 -29.457 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.418 2.936 -30.626 1.00 0.00 O ATOM 1203 CG2 THR A 77 -0.406 3.869 -28.656 1.00 0.00 C ATOM 0 H THR A 77 -1.071 1.148 -27.547 1.00 0.00 H new ATOM 0 HA THR A 77 1.087 0.953 -29.553 1.00 0.00 H new ATOM 0 HB THR A 77 -1.306 2.156 -29.600 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.088 3.608 -31.129 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.049 4.574 -29.183 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.827 3.659 -27.673 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.588 4.301 -28.541 1.00 0.00 H new ATOM 1211 N PHE A 78 1.479 2.131 -26.621 1.00 0.00 N ATOM 1212 CA PHE A 78 2.452 2.682 -25.693 1.00 0.00 C ATOM 1213 C PHE A 78 3.204 1.569 -24.961 1.00 0.00 C ATOM 1214 O PHE A 78 4.182 1.831 -24.262 1.00 0.00 O ATOM 1215 CB PHE A 78 1.675 3.514 -24.671 1.00 0.00 C ATOM 1216 CG PHE A 78 1.052 4.786 -25.249 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.731 5.515 -26.177 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.179 5.189 -24.835 1.00 0.00 C ATOM 1219 CE1 PHE A 78 1.152 6.696 -26.713 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -0.756 6.370 -25.372 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.079 7.099 -26.300 1.00 0.00 C ATOM 0 H PHE A 78 0.642 1.747 -26.182 1.00 0.00 H new ATOM 0 HA PHE A 78 3.183 3.282 -26.234 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.885 2.898 -24.241 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.345 3.788 -23.856 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.709 5.196 -26.505 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.717 4.611 -24.098 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.690 7.274 -27.449 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.734 6.690 -25.043 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.519 7.997 -26.708 1.00 0.00 H new ATOM 1231 N ILE A 79 2.719 0.350 -25.147 1.00 0.00 N ATOM 1232 CA ILE A 79 3.333 -0.804 -24.513 1.00 0.00 C ATOM 1233 C ILE A 79 4.849 -0.741 -24.709 1.00 0.00 C ATOM 1234 O ILE A 79 5.330 -0.572 -25.828 1.00 0.00 O ATOM 1235 CB ILE A 79 2.701 -2.098 -25.028 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.492 -2.493 -24.178 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.736 -3.221 -25.109 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.167 -3.979 -24.344 1.00 0.00 C ATOM 0 H ILE A 79 1.908 0.137 -25.728 1.00 0.00 H new ATOM 0 HA ILE A 79 3.148 -0.791 -23.439 1.00 0.00 H new ATOM 0 HB ILE A 79 2.339 -1.921 -26.041 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.694 -2.276 -23.129 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.629 -1.894 -24.467 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.259 -4.129 -25.478 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.537 -2.929 -25.789 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.151 -3.406 -24.118 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.304 -4.234 -23.729 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.942 -4.188 -25.390 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.024 -4.576 -24.031 1.00 0.00 H new ATOM 1250 N ILE A 80 5.564 -0.881 -23.600 1.00 0.00 N ATOM 1251 CA ILE A 80 7.015 -0.842 -23.636 1.00 0.00 C ATOM 1252 C ILE A 80 7.565 -2.249 -23.389 1.00 0.00 C ATOM 1253 O ILE A 80 8.644 -2.591 -23.869 1.00 0.00 O ATOM 1254 CB ILE A 80 7.547 0.206 -22.656 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.888 0.057 -21.283 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.381 1.617 -23.221 1.00 0.00 C ATOM 1257 CD1 ILE A 80 7.664 -0.931 -20.407 1.00 0.00 C ATOM 0 H ILE A 80 5.164 -1.021 -22.672 1.00 0.00 H new ATOM 0 HA ILE A 80 7.363 -0.531 -24.621 1.00 0.00 H new ATOM 0 HB ILE A 80 8.615 0.037 -22.520 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.843 1.028 -20.790 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.861 -0.287 -21.404 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.767 2.343 -22.505 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.933 1.701 -24.157 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.325 1.814 -23.404 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.175 -1.019 -19.437 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.687 -1.907 -20.892 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.683 -0.571 -20.268 1.00 0.00 H new ATOM 1269 N GLY A 81 6.797 -3.027 -22.638 1.00 0.00 N ATOM 1270 CA GLY A 81 7.193 -4.388 -22.323 1.00 0.00 C ATOM 1271 C GLY A 81 6.086 -5.119 -21.560 1.00 0.00 C ATOM 1272 O GLY A 81 4.902 -4.853 -21.770 1.00 0.00 O ATOM 0 H GLY A 81 5.903 -2.740 -22.239 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.422 -4.926 -23.243 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.105 -4.376 -21.726 1.00 0.00 H new ATOM 1276 N GLU A 82 6.508 -6.024 -20.691 1.00 0.00 N ATOM 1277 CA GLU A 82 5.567 -6.795 -19.895 1.00 0.00 C ATOM 1278 C GLU A 82 6.203 -7.196 -18.562 1.00 0.00 C ATOM 1279 O GLU A 82 7.425 -7.192 -18.427 1.00 0.00 O ATOM 1280 CB GLU A 82 5.080 -8.025 -20.663 1.00 0.00 C ATOM 1281 CG GLU A 82 5.113 -7.777 -22.172 1.00 0.00 C ATOM 1282 CD GLU A 82 4.617 -9.006 -22.940 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.392 -9.984 -23.003 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.477 -8.937 -23.446 1.00 0.00 O ATOM 0 H GLU A 82 7.490 -6.242 -20.520 1.00 0.00 H new ATOM 0 HA GLU A 82 4.699 -6.170 -19.687 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.706 -8.883 -20.418 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.065 -8.273 -20.354 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.492 -6.916 -22.416 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.129 -7.535 -22.483 1.00 0.00 H new ATOM 1291 N LEU A 83 5.343 -7.532 -17.612 1.00 0.00 N ATOM 1292 CA LEU A 83 5.805 -7.936 -16.294 1.00 0.00 C ATOM 1293 C LEU A 83 6.508 -9.290 -16.398 1.00 0.00 C ATOM 1294 O LEU A 83 5.935 -10.257 -16.897 1.00 0.00 O ATOM 1295 CB LEU A 83 4.647 -7.921 -15.293 1.00 0.00 C ATOM 1296 CG LEU A 83 5.040 -7.831 -13.817 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.508 -8.213 -13.615 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.725 -6.445 -13.249 1.00 0.00 C ATOM 0 H LEU A 83 4.330 -7.533 -17.728 1.00 0.00 H new ATOM 0 HA LEU A 83 6.537 -7.224 -15.912 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.000 -7.076 -15.529 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.056 -8.826 -15.437 1.00 0.00 H new ATOM 0 HG LEU A 83 4.441 -8.551 -13.260 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.761 -8.140 -12.557 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.668 -9.235 -13.957 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.142 -7.536 -14.187 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.014 -6.408 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.280 -5.689 -13.805 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.656 -6.249 -13.338 1.00 0.00 H new ATOM 1310 N HIS A 84 7.744 -9.317 -15.919 1.00 0.00 N ATOM 1311 CA HIS A 84 8.533 -10.537 -15.952 1.00 0.00 C ATOM 1312 C HIS A 84 8.010 -11.514 -14.899 1.00 0.00 C ATOM 1313 O HIS A 84 7.015 -11.240 -14.231 1.00 0.00 O ATOM 1314 CB HIS A 84 10.022 -10.225 -15.783 1.00 0.00 C ATOM 1315 CG HIS A 84 10.892 -10.766 -16.892 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.273 -10.792 -16.817 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.562 -11.300 -18.103 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.743 -11.321 -17.938 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.682 -11.634 -18.734 1.00 0.00 N ATOM 0 H HIS A 84 8.218 -8.514 -15.506 1.00 0.00 H new ATOM 0 HA HIS A 84 8.429 -11.016 -16.926 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.152 -9.144 -15.727 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.364 -10.637 -14.833 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.560 -11.429 -18.484 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.784 -11.477 -18.178 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.739 -12.055 -19.661 1.00 0.00 H new ATOM 1328 N PRO A 85 8.722 -12.667 -14.780 1.00 0.00 N ATOM 1329 CA PRO A 85 8.339 -13.689 -13.820 1.00 0.00 C ATOM 1330 C PRO A 85 8.714 -13.271 -12.396 1.00 0.00 C ATOM 1331 O PRO A 85 8.595 -14.061 -11.462 1.00 0.00 O ATOM 1332 CB PRO A 85 9.057 -14.948 -14.278 1.00 0.00 C ATOM 1333 CG PRO A 85 10.175 -14.480 -15.196 1.00 0.00 C ATOM 1334 CD PRO A 85 9.905 -13.028 -15.555 1.00 0.00 C ATOM 0 HA PRO A 85 7.262 -13.851 -13.785 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.456 -15.501 -13.428 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.375 -15.617 -14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.141 -14.578 -14.701 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.213 -15.095 -16.095 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.754 -12.393 -15.301 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.729 -12.911 -16.624 1.00 0.00 H new ATOM 1342 N ASP A 86 9.159 -12.028 -12.276 1.00 0.00 N ATOM 1343 CA ASP A 86 9.552 -11.496 -10.984 1.00 0.00 C ATOM 1344 C ASP A 86 8.300 -11.097 -10.199 1.00 0.00 C ATOM 1345 O ASP A 86 8.333 -11.009 -8.973 1.00 0.00 O ATOM 1346 CB ASP A 86 10.426 -10.251 -11.142 1.00 0.00 C ATOM 1347 CG ASP A 86 10.169 -9.144 -10.119 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.663 -9.298 -8.980 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.485 -8.168 -10.496 1.00 0.00 O ATOM 0 H ASP A 86 9.256 -11.375 -13.053 1.00 0.00 H new ATOM 0 HA ASP A 86 10.116 -12.268 -10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.472 -10.550 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.273 -9.843 -12.141 1.00 0.00 H new ATOM 1354 N ASP A 87 7.226 -10.866 -10.940 1.00 0.00 N ATOM 1355 CA ASP A 87 5.965 -10.478 -10.330 1.00 0.00 C ATOM 1356 C ASP A 87 4.846 -10.587 -11.367 1.00 0.00 C ATOM 1357 O ASP A 87 4.028 -9.677 -11.500 1.00 0.00 O ATOM 1358 CB ASP A 87 6.015 -9.031 -9.837 1.00 0.00 C ATOM 1359 CG ASP A 87 6.715 -8.830 -8.491 1.00 0.00 C ATOM 1360 OD1 ASP A 87 6.055 -9.092 -7.463 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.895 -8.419 -8.521 1.00 0.00 O ATOM 0 H ASP A 87 7.203 -10.940 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 87 5.781 -11.141 -9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.522 -8.425 -10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.995 -8.654 -9.759 1.00 0.00 H new ATOM 1366 N ARG A 88 4.847 -11.706 -12.076 1.00 0.00 N ATOM 1367 CA ARG A 88 3.842 -11.944 -13.098 1.00 0.00 C ATOM 1368 C ARG A 88 2.554 -12.472 -12.463 1.00 0.00 C ATOM 1369 O ARG A 88 1.535 -11.782 -12.450 1.00 0.00 O ATOM 1370 CB ARG A 88 4.340 -12.951 -14.136 1.00 0.00 C ATOM 1371 CG ARG A 88 4.691 -12.255 -15.453 1.00 0.00 C ATOM 1372 CD ARG A 88 5.698 -13.079 -16.258 1.00 0.00 C ATOM 1373 NE ARG A 88 4.982 -14.016 -17.152 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.616 -15.257 -16.803 1.00 0.00 C ATOM 1375 NH1 ARG A 88 4.896 -15.717 -15.576 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.971 -16.038 -17.681 1.00 0.00 N ATOM 0 H ARG A 88 5.527 -12.458 -11.963 1.00 0.00 H new ATOM 0 HA ARG A 88 3.644 -10.995 -13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.217 -13.472 -13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.573 -13.705 -14.313 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.786 -12.105 -16.041 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.105 -11.268 -15.248 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.335 -12.418 -16.845 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.350 -13.633 -15.583 1.00 0.00 H new ATOM 0 HE ARG A 88 4.753 -13.697 -18.093 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.387 -15.123 -14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.618 -16.661 -15.310 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.759 -15.688 -18.615 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.693 -16.983 -17.415 1.00 0.00 H new ATOM 1390 N SER A 89 2.640 -13.691 -11.950 1.00 0.00 N ATOM 1391 CA SER A 89 1.494 -14.318 -11.316 1.00 0.00 C ATOM 1392 C SER A 89 1.111 -13.549 -10.050 1.00 0.00 C ATOM 1393 O SER A 89 0.177 -13.931 -9.346 1.00 0.00 O ATOM 1394 CB SER A 89 1.785 -15.783 -10.979 1.00 0.00 C ATOM 1395 OG SER A 89 0.656 -16.619 -11.218 1.00 0.00 O ATOM 0 H SER A 89 3.486 -14.261 -11.961 1.00 0.00 H new ATOM 0 HA SER A 89 0.659 -14.292 -12.016 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.628 -16.132 -11.576 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.081 -15.863 -9.933 1.00 0.00 H new ATOM 0 HG SER A 89 0.882 -17.546 -10.993 1.00 0.00 H new ATOM 1401 N LYS A 90 1.852 -12.481 -9.798 1.00 0.00 N ATOM 1402 CA LYS A 90 1.603 -11.655 -8.629 1.00 0.00 C ATOM 1403 C LYS A 90 0.704 -10.480 -9.023 1.00 0.00 C ATOM 1404 O LYS A 90 0.230 -9.741 -8.161 1.00 0.00 O ATOM 1405 CB LYS A 90 2.921 -11.230 -7.981 1.00 0.00 C ATOM 1406 CG LYS A 90 3.583 -12.409 -7.263 1.00 0.00 C ATOM 1407 CD LYS A 90 3.410 -12.296 -5.747 1.00 0.00 C ATOM 1408 CE LYS A 90 2.993 -13.637 -5.141 1.00 0.00 C ATOM 1409 NZ LYS A 90 4.133 -14.264 -4.437 1.00 0.00 N ATOM 0 H LYS A 90 2.626 -12.168 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 90 1.070 -12.224 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.595 -10.838 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.738 -10.423 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.146 -13.344 -7.614 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.644 -12.440 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.344 -11.963 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.658 -11.540 -5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.167 -13.488 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.633 -14.302 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.833 -15.173 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.910 -14.424 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.458 -13.636 -3.675 1.00 0.00 H new ATOM 1423 N ILE A 91 0.499 -10.343 -10.325 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.332 -9.271 -10.842 1.00 0.00 C ATOM 1425 C ILE A 91 -1.158 -9.796 -12.020 1.00 0.00 C ATOM 1426 O ILE A 91 -2.357 -9.533 -12.106 1.00 0.00 O ATOM 1427 CB ILE A 91 0.522 -8.049 -11.187 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.853 -8.015 -12.680 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.781 -7.998 -10.319 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.573 -6.717 -13.052 1.00 0.00 C ATOM 0 H ILE A 91 0.895 -10.957 -11.037 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.036 -8.934 -10.081 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.058 -7.153 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.479 -8.869 -12.937 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.064 -8.106 -13.262 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.370 -7.120 -10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.496 -7.940 -9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.374 -8.897 -10.485 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.797 -6.718 -14.119 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.934 -5.866 -12.816 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.502 -6.641 -12.486 1.00 0.00 H new ATOM 1442 N THR A 92 -0.484 -10.526 -12.895 1.00 0.00 N ATOM 1443 CA THR A 92 -1.141 -11.088 -14.063 1.00 0.00 C ATOM 1444 C THR A 92 -2.634 -11.277 -13.794 1.00 0.00 C ATOM 1445 O THR A 92 -3.023 -11.743 -12.724 1.00 0.00 O ATOM 1446 CB THR A 92 -0.420 -12.387 -14.431 1.00 0.00 C ATOM 1447 OG1 THR A 92 -0.834 -12.647 -15.769 1.00 0.00 O ATOM 1448 CG2 THR A 92 -0.939 -13.589 -13.640 1.00 0.00 C ATOM 0 H THR A 92 0.510 -10.742 -12.819 1.00 0.00 H new ATOM 0 HA THR A 92 -1.079 -10.412 -14.916 1.00 0.00 H new ATOM 0 HB THR A 92 0.649 -12.271 -14.254 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.412 -13.472 -16.088 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.394 -14.484 -13.939 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.792 -13.414 -12.574 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.001 -13.726 -13.842 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.433 -10.909 -14.786 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.876 -11.033 -14.670 1.00 0.00 C ATOM 1458 C LYS A 93 -5.215 -12.324 -13.924 1.00 0.00 C ATOM 1459 O LYS A 93 -5.147 -13.411 -14.495 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.534 -10.928 -16.047 1.00 0.00 C ATOM 1461 CG LYS A 93 -6.928 -10.304 -15.943 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.955 -11.123 -16.728 1.00 0.00 C ATOM 1463 CE LYS A 93 -8.499 -12.277 -15.881 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.931 -13.396 -16.747 1.00 0.00 N ATOM 0 H LYS A 93 -3.108 -10.525 -15.673 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.283 -10.210 -14.083 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.910 -10.325 -16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.608 -11.919 -16.495 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.227 -10.246 -14.896 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.903 -9.283 -16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.776 -10.479 -17.042 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.495 -11.517 -17.634 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.731 -12.621 -15.188 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.339 -11.930 -15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.297 -14.170 -16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.679 -13.068 -17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -8.121 -13.738 -17.303 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.581 -12.158 -12.625 1.00 0.00 N ATOM 1479 CA PRO A 94 -5.931 -13.298 -11.794 1.00 0.00 C ATOM 1480 C PRO A 94 -7.318 -13.833 -12.153 1.00 0.00 C ATOM 1481 O PRO A 94 -7.900 -13.436 -13.161 1.00 0.00 O ATOM 1482 CB PRO A 94 -5.844 -12.785 -10.367 1.00 0.00 C ATOM 1483 CG PRO A 94 -5.904 -11.269 -10.463 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.672 -10.885 -11.915 1.00 0.00 C ATOM 0 HA PRO A 94 -5.262 -14.146 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.665 -13.171 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.919 -13.110 -9.891 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.872 -10.903 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.147 -10.816 -9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.490 -10.275 -12.299 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.758 -10.302 -12.029 1.00 0.00 H new ATOM 1492 N SER A 95 -7.811 -14.727 -11.308 1.00 0.00 N ATOM 1493 CA SER A 95 -9.119 -15.320 -11.524 1.00 0.00 C ATOM 1494 C SER A 95 -9.956 -15.217 -10.247 1.00 0.00 C ATOM 1495 O SER A 95 -9.718 -15.944 -9.284 1.00 0.00 O ATOM 1496 CB SER A 95 -8.994 -16.782 -11.961 1.00 0.00 C ATOM 1497 OG SER A 95 -9.817 -17.072 -13.088 1.00 0.00 O ATOM 0 H SER A 95 -7.327 -15.055 -10.472 1.00 0.00 H new ATOM 0 HA SER A 95 -9.618 -14.771 -12.323 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.954 -17.000 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.271 -17.434 -11.132 1.00 0.00 H new ATOM 0 HG SER A 95 -9.709 -18.013 -13.338 1.00 0.00 H new ATOM 1503 N GLU A 96 -10.920 -14.310 -10.281 1.00 0.00 N ATOM 1504 CA GLU A 96 -11.795 -14.102 -9.141 1.00 0.00 C ATOM 1505 C GLU A 96 -13.185 -13.670 -9.609 1.00 0.00 C ATOM 1506 O GLU A 96 -13.316 -12.950 -10.598 1.00 0.00 O ATOM 1507 CB GLU A 96 -11.200 -13.077 -8.173 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.100 -13.652 -6.758 1.00 0.00 C ATOM 1509 CD GLU A 96 -11.543 -12.623 -5.716 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.758 -12.333 -5.686 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -10.656 -12.151 -4.974 1.00 0.00 O ATOM 0 H GLU A 96 -11.115 -13.709 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.891 -15.047 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.211 -12.777 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.819 -12.180 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.721 -14.545 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.073 -13.959 -6.558 1.00 0.00 H new ATOM 1518 N SER A 97 -14.190 -14.128 -8.877 1.00 0.00 N ATOM 1519 CA SER A 97 -15.566 -13.798 -9.205 1.00 0.00 C ATOM 1520 C SER A 97 -16.257 -13.168 -7.993 1.00 0.00 C ATOM 1521 O SER A 97 -15.846 -13.390 -6.855 1.00 0.00 O ATOM 1522 CB SER A 97 -16.335 -15.037 -9.669 1.00 0.00 C ATOM 1523 OG SER A 97 -17.258 -14.734 -10.709 1.00 0.00 O ATOM 0 H SER A 97 -14.078 -14.725 -8.058 1.00 0.00 H new ATOM 0 HA SER A 97 -15.558 -13.080 -10.025 1.00 0.00 H new ATOM 0 HB2 SER A 97 -15.630 -15.791 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.871 -15.469 -8.824 1.00 0.00 H new ATOM 0 HG SER A 97 -17.727 -15.551 -10.978 1.00 0.00 H new ATOM 1529 N ILE A 98 -17.294 -12.394 -8.279 1.00 0.00 N ATOM 1530 CA ILE A 98 -18.046 -11.732 -7.227 1.00 0.00 C ATOM 1531 C ILE A 98 -19.529 -12.079 -7.368 1.00 0.00 C ATOM 1532 O ILE A 98 -19.920 -12.779 -8.300 1.00 0.00 O ATOM 1533 CB ILE A 98 -17.763 -10.228 -7.233 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -18.285 -9.577 -8.515 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -16.275 -9.949 -7.015 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -19.622 -8.873 -8.269 1.00 0.00 C ATOM 0 H ILE A 98 -17.631 -12.211 -9.224 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.727 -12.090 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.301 -9.776 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.554 -8.858 -8.885 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -18.406 -10.335 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.101 -8.873 -7.024 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.965 -10.359 -6.054 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.697 -10.416 -7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -19.970 -8.419 -9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -20.357 -9.599 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -19.492 -8.099 -7.513 1.00 0.00 H new ATOM 1548 N ILE A 99 -20.315 -11.574 -6.428 1.00 0.00 N ATOM 1549 CA ILE A 99 -21.746 -11.823 -6.436 1.00 0.00 C ATOM 1550 C ILE A 99 -22.487 -10.525 -6.106 1.00 0.00 C ATOM 1551 O ILE A 99 -22.388 -10.016 -4.990 1.00 0.00 O ATOM 1552 CB ILE A 99 -22.093 -12.984 -5.502 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -23.492 -13.526 -5.799 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -21.935 -12.574 -4.036 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -24.541 -12.414 -5.715 1.00 0.00 C ATOM 0 H ILE A 99 -19.987 -10.994 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 99 -22.073 -12.134 -7.428 1.00 0.00 H new ATOM 0 HB ILE A 99 -21.388 -13.795 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -23.509 -13.973 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.738 -14.317 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -22.188 -13.417 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -20.904 -12.273 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -22.601 -11.739 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -25.527 -12.827 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -24.538 -11.986 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -24.306 -11.637 -6.442 1.00 0.00 H new ATOM 1567 N THR A 100 -23.210 -10.026 -7.096 1.00 0.00 N ATOM 1568 CA THR A 100 -23.967 -8.798 -6.926 1.00 0.00 C ATOM 1569 C THR A 100 -25.470 -9.087 -6.964 1.00 0.00 C ATOM 1570 O THR A 100 -25.887 -10.173 -7.362 1.00 0.00 O ATOM 1571 CB THR A 100 -23.512 -7.808 -8.000 1.00 0.00 C ATOM 1572 OG1 THR A 100 -24.237 -6.617 -7.704 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.991 -8.201 -9.398 1.00 0.00 C ATOM 0 H THR A 100 -23.288 -10.450 -8.020 1.00 0.00 H new ATOM 0 HA THR A 100 -23.778 -8.350 -5.950 1.00 0.00 H new ATOM 0 HB THR A 100 -22.424 -7.741 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 100 -24.550 -6.208 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 100 -23.641 -7.466 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.594 -9.183 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 100 -25.080 -8.235 -9.413 1.00 0.00 H new ATOM 1581 N THR A 101 -26.241 -8.094 -6.543 1.00 0.00 N ATOM 1582 CA THR A 101 -27.688 -8.229 -6.524 1.00 0.00 C ATOM 1583 C THR A 101 -28.348 -6.863 -6.332 1.00 0.00 C ATOM 1584 O THR A 101 -28.596 -6.442 -5.204 1.00 0.00 O ATOM 1585 CB THR A 101 -28.055 -9.239 -5.435 1.00 0.00 C ATOM 1586 OG1 THR A 101 -29.478 -9.292 -5.477 1.00 0.00 O ATOM 1587 CG2 THR A 101 -27.742 -8.724 -4.029 1.00 0.00 C ATOM 0 H THR A 101 -25.891 -7.194 -6.213 1.00 0.00 H new ATOM 0 HA THR A 101 -28.062 -8.606 -7.476 1.00 0.00 H new ATOM 0 HB THR A 101 -27.517 -10.171 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 101 -29.802 -9.925 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 101 -28.022 -9.479 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 101 -26.675 -8.515 -3.947 1.00 0.00 H new ATOM 0 HG23 THR A 101 -28.306 -7.810 -3.842 1.00 0.00 H new ATOM 1595 N ILE A 102 -28.613 -6.206 -7.452 1.00 0.00 N ATOM 1596 CA ILE A 102 -29.240 -4.895 -7.422 1.00 0.00 C ATOM 1597 C ILE A 102 -30.424 -4.878 -8.391 1.00 0.00 C ATOM 1598 O ILE A 102 -30.334 -5.412 -9.494 1.00 0.00 O ATOM 1599 CB ILE A 102 -28.205 -3.802 -7.695 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -27.094 -3.823 -6.642 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -28.872 -2.428 -7.794 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -25.932 -4.712 -7.090 1.00 0.00 C ATOM 0 H ILE A 102 -28.405 -6.557 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 102 -29.638 -4.685 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 102 -27.740 -4.006 -8.659 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -26.735 -2.809 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -27.492 -4.188 -5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -28.114 -1.669 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.597 -2.433 -8.608 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -29.380 -2.202 -6.857 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -25.156 -4.710 -6.324 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -26.290 -5.730 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -25.521 -4.330 -8.024 1.00 0.00 H new ATOM 1614 N ASP A 103 -31.503 -4.256 -7.943 1.00 0.00 N ATOM 1615 CA ASP A 103 -32.703 -4.163 -8.757 1.00 0.00 C ATOM 1616 C ASP A 103 -32.319 -3.754 -10.180 1.00 0.00 C ATOM 1617 O ASP A 103 -31.286 -3.119 -10.390 1.00 0.00 O ATOM 1618 CB ASP A 103 -33.662 -3.105 -8.204 1.00 0.00 C ATOM 1619 CG ASP A 103 -35.147 -3.397 -8.433 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -35.480 -3.789 -9.572 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -35.915 -3.219 -7.462 1.00 0.00 O ATOM 0 H ASP A 103 -31.572 -3.812 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 103 -33.193 -5.136 -8.747 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -33.488 -3.003 -7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -33.421 -2.144 -8.659 1.00 0.00 H new ATOM 1626 N SER A 104 -33.169 -4.134 -11.122 1.00 0.00 N ATOM 1627 CA SER A 104 -32.931 -3.815 -12.519 1.00 0.00 C ATOM 1628 C SER A 104 -33.224 -2.335 -12.776 1.00 0.00 C ATOM 1629 O SER A 104 -33.619 -1.610 -11.864 1.00 0.00 O ATOM 1630 CB SER A 104 -33.784 -4.692 -13.438 1.00 0.00 C ATOM 1631 OG SER A 104 -35.091 -4.155 -13.625 1.00 0.00 O ATOM 0 H SER A 104 -34.024 -4.660 -10.945 1.00 0.00 H new ATOM 0 HA SER A 104 -31.883 -4.015 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 104 -33.291 -4.791 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.861 -5.694 -13.015 1.00 0.00 H new ATOM 0 HG SER A 104 -35.604 -4.742 -14.219 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.045 5.228 -17.510 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.602 7.169 -18.588 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.973 4.830 -20.755 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.605 3.097 -16.424 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.965 5.778 -14.264 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.680 5.863 -19.287 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.805 6.581 -19.563 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.998 6.691 -21.022 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.933 6.095 -21.644 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.109 5.593 -20.568 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.664 5.975 -23.144 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.205 7.312 -21.700 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.431 6.421 -21.579 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.087 4.946 -21.605 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.272 4.307 -22.658 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.670 4.401 -20.567 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.594 4.216 -18.384 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.266 4.173 -19.750 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.122 3.309 -19.989 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.781 2.771 -18.763 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.672 3.365 -17.793 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.520 2.988 -21.357 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.939 1.679 -18.449 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.656 1.401 -18.865 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.418 4.574 -15.734 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.409 3.653 -15.472 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.283 3.359 -14.029 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.243 4.124 -13.428 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.916 4.893 -14.482 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.277 2.350 -13.420 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.549 4.197 -12.062 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.557 4.241 -11.094 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.511 6.233 -16.599 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.724 6.399 -15.226 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.800 7.319 -14.970 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.217 7.739 -16.176 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.464 7.027 -17.200 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.391 7.707 -13.622 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.213 8.841 -16.443 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.607 8.272 -16.561 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.330 8.789 -17.781 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.642 9.133 -18.764 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.584 8.836 -17.766 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.611 5.942 -23.682 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.103 5.062 -23.341 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.086 6.836 -23.480 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.301 3.024 -22.116 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.081 1.991 -21.336 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.748 3.720 -21.596 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.082 1.553 -14.137 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.696 1.923 -12.509 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.344 2.863 -13.185 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.296 6.871 -12.929 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.444 7.958 -13.745 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.856 8.570 -13.225 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.153 0.499 -18.516 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.143 2.083 -19.543 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.827 4.298 -10.039 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.508 4.219 -11.388 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.119 6.644 -22.395 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.953 6.652 -20.650 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.983 7.486 -22.753 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.415 8.284 -21.253 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.178 8.525 -15.668 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.551 7.184 -16.607 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -11.948 9.365 -17.361 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.179 9.574 -15.637 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.408 7.798 -18.934 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.602 4.735 -21.765 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.856 2.393 -16.092 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.208 6.000 -13.235 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.373 0.943 -17.772 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.594 4.220 -11.753 1.00 0.00 H new