USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 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= -10! C(o=-24!,f=-31!) USER MOD Set 1.2: A 105 HEM CMC :methyl -30:sc= -13.6! (180deg=-8.32!) USER MOD Set 2.1: A 75 SER OG : rot -53:sc= -0.127 USER MOD Set 2.2: A 105 HEM CMB :methyl -30:sc= -0.293 (180deg=-0.143) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -20.4! C(o=-18!,f=-27!) USER MOD Set 3.2: A 59 THR OG1 : rot 1:sc= 1.96 USER MOD Set 4.1: A 25 THR OG1 : rot -45:sc= 0.909 USER MOD Set 4.2: A 37 THR OG1 : rot 125:sc= 0.789 USER MOD Set 5.1: A 19 HIS : no HE2:sc= -16.2! C(o=-21!,f=-23!) USER MOD Set 5.2: A 24 SER OG : rot 150:sc= -4.33! 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= 0.132 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 20 ASN : amide:sc= -4.05! C(o=-4!,f=-3.5!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.125 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 35:sc= 0.512 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.025) USER MOD Single : A 68 SER OG : rot -90:sc= 0.19 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= -10.3! C(o=-10!,f=-12!) 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 12:sc= 1 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0121 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= -3.17 (180deg=-3.17) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 26.249 -4.640 -38.087 1.00 0.00 N ATOM 2 CA ALA A 1 27.685 -4.432 -38.019 1.00 0.00 C ATOM 3 C ALA A 1 28.133 -4.468 -36.557 1.00 0.00 C ATOM 4 O ALA A 1 28.964 -5.290 -36.178 1.00 0.00 O ATOM 5 CB ALA A 1 28.043 -3.112 -38.707 1.00 0.00 C ATOM 0 H1 ALA A 1 25.941 -4.616 -39.080 1.00 0.00 H new ATOM 0 H2 ALA A 1 26.012 -5.564 -37.673 1.00 0.00 H new ATOM 0 H3 ALA A 1 25.764 -3.889 -37.556 1.00 0.00 H new ATOM 0 HA ALA A 1 28.213 -5.227 -38.545 1.00 0.00 H new ATOM 0 HB1 ALA A 1 29.121 -2.956 -38.656 1.00 0.00 H new ATOM 0 HB2 ALA A 1 27.731 -3.149 -39.751 1.00 0.00 H new ATOM 0 HB3 ALA A 1 27.533 -2.290 -38.205 1.00 0.00 H new ATOM 11 N GLU A 2 27.561 -3.564 -35.774 1.00 0.00 N ATOM 12 CA GLU A 2 27.890 -3.481 -34.361 1.00 0.00 C ATOM 13 C GLU A 2 26.873 -2.606 -33.628 1.00 0.00 C ATOM 14 O GLU A 2 27.138 -1.437 -33.351 1.00 0.00 O ATOM 15 CB GLU A 2 29.313 -2.953 -34.161 1.00 0.00 C ATOM 16 CG GLU A 2 29.740 -3.074 -32.697 1.00 0.00 C ATOM 17 CD GLU A 2 31.250 -3.301 -32.584 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.698 -4.374 -33.041 1.00 0.00 O ATOM 19 OE2 GLU A 2 31.922 -2.395 -32.043 1.00 0.00 O ATOM 0 H GLU A 2 26.872 -2.883 -36.092 1.00 0.00 H new ATOM 0 HA GLU A 2 27.846 -4.485 -33.938 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.004 -3.511 -34.793 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.366 -1.910 -34.474 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.463 -2.168 -32.157 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.208 -3.901 -32.226 1.00 0.00 H new ATOM 26 N GLU A 3 25.727 -3.205 -33.337 1.00 0.00 N ATOM 27 CA GLU A 3 24.667 -2.494 -32.641 1.00 0.00 C ATOM 28 C GLU A 3 23.462 -3.412 -32.433 1.00 0.00 C ATOM 29 O GLU A 3 23.420 -4.520 -32.965 1.00 0.00 O ATOM 30 CB GLU A 3 24.268 -1.226 -33.399 1.00 0.00 C ATOM 31 CG GLU A 3 24.175 -0.029 -32.453 1.00 0.00 C ATOM 32 CD GLU A 3 23.031 0.904 -32.859 1.00 0.00 C ATOM 33 OE1 GLU A 3 23.051 1.352 -34.026 1.00 0.00 O ATOM 34 OE2 GLU A 3 22.164 1.147 -31.994 1.00 0.00 O ATOM 0 H GLU A 3 25.509 -4.174 -33.570 1.00 0.00 H new ATOM 0 HA GLU A 3 25.040 -2.190 -31.663 1.00 0.00 H new ATOM 0 HB2 GLU A 3 24.999 -1.020 -34.181 1.00 0.00 H new ATOM 0 HB3 GLU A 3 23.308 -1.380 -33.892 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.019 -0.379 -31.433 1.00 0.00 H new ATOM 0 HG3 GLU A 3 25.117 0.520 -32.461 1.00 0.00 H new ATOM 41 N SER A 4 22.508 -2.917 -31.658 1.00 0.00 N ATOM 42 CA SER A 4 21.303 -3.678 -31.373 1.00 0.00 C ATOM 43 C SER A 4 20.414 -2.906 -30.397 1.00 0.00 C ATOM 44 O SER A 4 20.877 -1.986 -29.724 1.00 0.00 O ATOM 45 CB SER A 4 21.646 -5.056 -30.803 1.00 0.00 C ATOM 46 OG SER A 4 20.969 -6.104 -31.492 1.00 0.00 O ATOM 0 H SER A 4 22.545 -1.997 -31.218 1.00 0.00 H new ATOM 0 HA SER A 4 20.762 -3.825 -32.308 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.722 -5.217 -30.867 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.381 -5.087 -29.746 1.00 0.00 H new ATOM 0 HG SER A 4 21.216 -6.967 -31.099 1.00 0.00 H new ATOM 52 N SER A 5 19.154 -3.309 -30.349 1.00 0.00 N ATOM 53 CA SER A 5 18.194 -2.666 -29.466 1.00 0.00 C ATOM 54 C SER A 5 16.814 -3.302 -29.640 1.00 0.00 C ATOM 55 O SER A 5 16.506 -3.845 -30.700 1.00 0.00 O ATOM 56 CB SER A 5 18.123 -1.161 -29.734 1.00 0.00 C ATOM 57 OG SER A 5 17.811 -0.875 -31.094 1.00 0.00 O ATOM 0 H SER A 5 18.774 -4.073 -30.907 1.00 0.00 H new ATOM 0 HA SER A 5 18.525 -2.810 -28.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.369 -0.713 -29.087 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.077 -0.702 -29.477 1.00 0.00 H new ATOM 0 HG SER A 5 17.773 0.096 -31.224 1.00 0.00 H new ATOM 63 N LYS A 6 16.020 -3.214 -28.584 1.00 0.00 N ATOM 64 CA LYS A 6 14.680 -3.774 -28.605 1.00 0.00 C ATOM 65 C LYS A 6 13.867 -3.187 -27.449 1.00 0.00 C ATOM 66 O LYS A 6 14.375 -2.372 -26.680 1.00 0.00 O ATOM 67 CB LYS A 6 14.738 -5.302 -28.604 1.00 0.00 C ATOM 68 CG LYS A 6 15.440 -5.822 -27.348 1.00 0.00 C ATOM 69 CD LYS A 6 15.475 -7.352 -27.332 1.00 0.00 C ATOM 70 CE LYS A 6 16.084 -7.874 -26.031 1.00 0.00 C ATOM 71 NZ LYS A 6 17.429 -8.438 -26.279 1.00 0.00 N ATOM 0 H LYS A 6 16.279 -2.763 -27.707 1.00 0.00 H new ATOM 0 HA LYS A 6 14.167 -3.499 -29.526 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.728 -5.708 -28.655 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.267 -5.650 -29.491 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.457 -5.431 -27.307 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.923 -5.457 -26.461 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.464 -7.743 -27.447 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.056 -7.715 -28.180 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.151 -7.065 -25.303 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.437 -8.638 -25.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.829 -8.788 -25.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.357 -9.223 -26.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.049 -7.700 -26.669 1.00 0.00 H new ATOM 85 N ALA A 7 12.620 -3.625 -27.362 1.00 0.00 N ATOM 86 CA ALA A 7 11.732 -3.154 -26.314 1.00 0.00 C ATOM 87 C ALA A 7 11.843 -4.083 -25.103 1.00 0.00 C ATOM 88 O ALA A 7 11.881 -5.304 -25.253 1.00 0.00 O ATOM 89 CB ALA A 7 10.303 -3.069 -26.854 1.00 0.00 C ATOM 0 H ALA A 7 12.203 -4.302 -28.001 1.00 0.00 H new ATOM 0 HA ALA A 7 12.018 -2.153 -25.990 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.637 -2.715 -26.067 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.272 -2.375 -27.694 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.980 -4.056 -27.186 1.00 0.00 H new ATOM 95 N VAL A 8 11.893 -3.470 -23.930 1.00 0.00 N ATOM 96 CA VAL A 8 11.997 -4.226 -22.694 1.00 0.00 C ATOM 97 C VAL A 8 11.335 -5.592 -22.878 1.00 0.00 C ATOM 98 O VAL A 8 11.995 -6.625 -22.780 1.00 0.00 O ATOM 99 CB VAL A 8 11.401 -3.424 -21.536 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.703 -2.161 -22.047 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.445 -4.283 -20.708 1.00 0.00 C ATOM 0 H VAL A 8 11.863 -2.458 -23.809 1.00 0.00 H new ATOM 0 HA VAL A 8 13.043 -4.403 -22.444 1.00 0.00 H new ATOM 0 HB VAL A 8 12.219 -3.115 -20.886 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.288 -1.608 -21.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.424 -1.534 -22.572 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.900 -2.440 -22.729 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.036 -3.688 -19.892 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.632 -4.637 -21.342 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.985 -5.137 -20.299 1.00 0.00 H new ATOM 111 N LYS A 9 10.038 -5.553 -23.143 1.00 0.00 N ATOM 112 CA LYS A 9 9.277 -6.776 -23.342 1.00 0.00 C ATOM 113 C LYS A 9 8.860 -7.339 -21.982 1.00 0.00 C ATOM 114 O LYS A 9 7.683 -7.618 -21.757 1.00 0.00 O ATOM 115 CB LYS A 9 10.068 -7.765 -24.200 1.00 0.00 C ATOM 116 CG LYS A 9 9.213 -8.300 -25.349 1.00 0.00 C ATOM 117 CD LYS A 9 8.162 -9.288 -24.836 1.00 0.00 C ATOM 118 CE LYS A 9 7.422 -9.955 -25.998 1.00 0.00 C ATOM 119 NZ LYS A 9 6.048 -9.417 -26.115 1.00 0.00 N ATOM 0 H LYS A 9 9.494 -4.694 -23.225 1.00 0.00 H new ATOM 0 HA LYS A 9 8.362 -6.569 -23.896 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.956 -7.276 -24.600 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.412 -8.594 -23.582 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.721 -7.471 -25.857 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.851 -8.791 -26.084 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.643 -10.049 -24.222 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.449 -8.767 -24.197 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.965 -9.786 -26.928 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.385 -11.033 -25.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.560 -9.880 -26.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.527 -9.600 -25.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.090 -8.392 -26.286 1.00 0.00 H new ATOM 133 N TYR A 10 9.846 -7.489 -21.110 1.00 0.00 N ATOM 134 CA TYR A 10 9.595 -8.013 -19.779 1.00 0.00 C ATOM 135 C TYR A 10 10.385 -7.233 -18.726 1.00 0.00 C ATOM 136 O TYR A 10 11.598 -7.072 -18.847 1.00 0.00 O ATOM 137 CB TYR A 10 10.086 -9.462 -19.799 1.00 0.00 C ATOM 138 CG TYR A 10 10.832 -9.850 -21.076 1.00 0.00 C ATOM 139 CD1 TYR A 10 12.095 -9.348 -21.317 1.00 0.00 C ATOM 140 CD2 TYR A 10 10.242 -10.701 -21.988 1.00 0.00 C ATOM 141 CE1 TYR A 10 12.798 -9.714 -22.520 1.00 0.00 C ATOM 142 CE2 TYR A 10 10.945 -11.067 -23.191 1.00 0.00 C ATOM 143 CZ TYR A 10 12.188 -10.555 -23.397 1.00 0.00 C ATOM 144 OH TYR A 10 12.852 -10.900 -24.532 1.00 0.00 O ATOM 0 H TYR A 10 10.821 -7.257 -21.300 1.00 0.00 H new ATOM 0 HA TYR A 10 8.538 -7.933 -19.526 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.742 -9.624 -18.944 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.231 -10.126 -19.674 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.556 -8.681 -20.604 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.253 -11.093 -21.800 1.00 0.00 H new ATOM 0 HE1 TYR A 10 13.787 -9.329 -22.721 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.495 -11.733 -23.913 1.00 0.00 H new ATOM 0 HH TYR A 10 12.296 -11.507 -25.064 1.00 0.00 H new ATOM 154 N TYR A 11 9.664 -6.772 -17.714 1.00 0.00 N ATOM 155 CA TYR A 11 10.282 -6.013 -16.640 1.00 0.00 C ATOM 156 C TYR A 11 9.766 -6.475 -15.276 1.00 0.00 C ATOM 157 O TYR A 11 8.858 -7.301 -15.198 1.00 0.00 O ATOM 158 CB TYR A 11 9.869 -4.556 -16.860 1.00 0.00 C ATOM 159 CG TYR A 11 11.021 -3.638 -17.273 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.316 -3.955 -16.917 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.766 -2.493 -18.000 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.401 -3.090 -17.305 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.851 -1.629 -18.387 1.00 0.00 C ATOM 164 CZ TYR A 11 13.116 -1.970 -18.020 1.00 0.00 C ATOM 165 OH TYR A 11 14.139 -1.155 -18.387 1.00 0.00 O ATOM 0 H TYR A 11 8.658 -6.910 -17.615 1.00 0.00 H new ATOM 0 HA TYR A 11 11.364 -6.147 -16.649 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.096 -4.520 -17.628 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.424 -4.173 -15.942 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.516 -4.851 -16.348 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.753 -2.245 -18.279 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.419 -3.327 -17.033 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.665 -0.730 -18.956 1.00 0.00 H new ATOM 0 HH TYR A 11 13.786 -0.394 -18.894 1.00 0.00 H new ATOM 175 N THR A 12 10.368 -5.923 -14.233 1.00 0.00 N ATOM 176 CA THR A 12 9.982 -6.269 -12.876 1.00 0.00 C ATOM 177 C THR A 12 9.189 -5.127 -12.239 1.00 0.00 C ATOM 178 O THR A 12 9.423 -3.957 -12.544 1.00 0.00 O ATOM 179 CB THR A 12 11.250 -6.633 -12.100 1.00 0.00 C ATOM 180 OG1 THR A 12 11.895 -5.381 -11.882 1.00 0.00 O ATOM 181 CG2 THR A 12 12.248 -7.423 -12.950 1.00 0.00 C ATOM 0 H THR A 12 11.121 -5.238 -14.301 1.00 0.00 H new ATOM 0 HA THR A 12 9.317 -7.132 -12.864 1.00 0.00 H new ATOM 0 HB THR A 12 10.982 -7.215 -11.218 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.726 -5.524 -11.383 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.130 -7.656 -12.353 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.784 -8.349 -13.289 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.542 -6.827 -13.814 1.00 0.00 H new ATOM 189 N LEU A 13 8.266 -5.502 -11.366 1.00 0.00 N ATOM 190 CA LEU A 13 7.436 -4.524 -10.685 1.00 0.00 C ATOM 191 C LEU A 13 8.320 -3.390 -10.161 1.00 0.00 C ATOM 192 O LEU A 13 7.918 -2.227 -10.177 1.00 0.00 O ATOM 193 CB LEU A 13 6.593 -5.197 -9.601 1.00 0.00 C ATOM 194 CG LEU A 13 5.159 -5.557 -9.994 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.381 -6.098 -8.793 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.452 -4.368 -10.647 1.00 0.00 C ATOM 0 H LEU A 13 8.075 -6.472 -11.114 1.00 0.00 H new ATOM 0 HA LEU A 13 6.723 -4.080 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.102 -6.108 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.556 -4.537 -8.735 1.00 0.00 H new ATOM 0 HG LEU A 13 5.199 -6.353 -10.737 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.365 -6.346 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.874 -6.993 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.349 -5.341 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.435 -4.653 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.422 -3.533 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.995 -4.070 -11.544 1.00 0.00 H new ATOM 208 N GLU A 14 9.506 -3.768 -9.708 1.00 0.00 N ATOM 209 CA GLU A 14 10.450 -2.797 -9.181 1.00 0.00 C ATOM 210 C GLU A 14 10.814 -1.772 -10.255 1.00 0.00 C ATOM 211 O GLU A 14 10.731 -0.567 -10.023 1.00 0.00 O ATOM 212 CB GLU A 14 11.701 -3.489 -8.635 1.00 0.00 C ATOM 213 CG GLU A 14 11.847 -3.253 -7.131 1.00 0.00 C ATOM 214 CD GLU A 14 11.432 -4.495 -6.338 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.148 -5.511 -6.462 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.409 -4.397 -5.626 1.00 0.00 O ATOM 0 H GLU A 14 9.835 -4.733 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 14 9.975 -2.271 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.645 -4.559 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.584 -3.114 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.881 -2.997 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.233 -2.404 -6.831 1.00 0.00 H new ATOM 223 N GLU A 15 11.212 -2.288 -11.410 1.00 0.00 N ATOM 224 CA GLU A 15 11.589 -1.433 -12.521 1.00 0.00 C ATOM 225 C GLU A 15 10.458 -0.455 -12.848 1.00 0.00 C ATOM 226 O GLU A 15 10.705 0.720 -13.113 1.00 0.00 O ATOM 227 CB GLU A 15 11.968 -2.263 -13.749 1.00 0.00 C ATOM 228 CG GLU A 15 12.455 -1.367 -14.889 1.00 0.00 C ATOM 229 CD GLU A 15 13.973 -1.191 -14.839 1.00 0.00 C ATOM 230 OE1 GLU A 15 14.669 -2.175 -15.168 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.404 -0.076 -14.473 1.00 0.00 O ATOM 0 H GLU A 15 11.281 -3.288 -11.599 1.00 0.00 H new ATOM 0 HA GLU A 15 12.467 -0.857 -12.228 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.749 -2.976 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.106 -2.843 -14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.167 -1.802 -15.846 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.970 -0.393 -14.823 1.00 0.00 H new ATOM 238 N ILE A 16 9.241 -0.979 -12.819 1.00 0.00 N ATOM 239 CA ILE A 16 8.070 -0.168 -13.109 1.00 0.00 C ATOM 240 C ILE A 16 7.815 0.787 -11.940 1.00 0.00 C ATOM 241 O ILE A 16 7.338 1.903 -12.140 1.00 0.00 O ATOM 242 CB ILE A 16 6.873 -1.058 -13.448 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.280 -2.187 -14.397 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.715 -0.230 -14.008 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.749 -3.536 -13.904 1.00 0.00 C ATOM 0 H ILE A 16 9.041 -1.955 -12.599 1.00 0.00 H new ATOM 0 HA ILE A 16 8.241 0.447 -13.993 1.00 0.00 H new ATOM 0 HB ILE A 16 6.522 -1.522 -12.526 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.895 -1.984 -15.396 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.366 -2.227 -14.476 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.877 -0.887 -14.241 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.404 0.507 -13.268 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.038 0.281 -14.915 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.052 -4.321 -14.596 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.155 -3.747 -12.915 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.661 -3.501 -13.849 1.00 0.00 H new ATOM 257 N GLN A 17 8.145 0.314 -10.748 1.00 0.00 N ATOM 258 CA GLN A 17 7.956 1.112 -9.549 1.00 0.00 C ATOM 259 C GLN A 17 8.853 2.350 -9.589 1.00 0.00 C ATOM 260 O GLN A 17 8.434 3.438 -9.197 1.00 0.00 O ATOM 261 CB GLN A 17 8.223 0.282 -8.291 1.00 0.00 C ATOM 262 CG GLN A 17 7.303 0.711 -7.146 1.00 0.00 C ATOM 263 CD GLN A 17 8.099 1.381 -6.024 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.070 2.586 -5.842 1.00 0.00 O ATOM 265 NE2 GLN A 17 8.809 0.533 -5.284 1.00 0.00 N ATOM 0 H GLN A 17 8.542 -0.612 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 17 6.917 1.441 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.070 -0.775 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.264 0.398 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.546 1.400 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.776 -0.158 -6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.788 -0.466 -5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.374 0.882 -4.510 1.00 0.00 H new ATOM 274 N LYS A 18 10.071 2.144 -10.067 1.00 0.00 N ATOM 275 CA LYS A 18 11.032 3.230 -10.164 1.00 0.00 C ATOM 276 C LYS A 18 10.507 4.283 -11.144 1.00 0.00 C ATOM 277 O LYS A 18 10.789 5.471 -10.994 1.00 0.00 O ATOM 278 CB LYS A 18 12.417 2.691 -10.525 1.00 0.00 C ATOM 279 CG LYS A 18 12.904 1.687 -9.478 1.00 0.00 C ATOM 280 CD LYS A 18 14.323 1.211 -9.793 1.00 0.00 C ATOM 281 CE LYS A 18 15.337 1.833 -8.830 1.00 0.00 C ATOM 282 NZ LYS A 18 16.716 1.471 -9.226 1.00 0.00 N ATOM 0 H LYS A 18 10.415 1.240 -10.392 1.00 0.00 H new ATOM 0 HA LYS A 18 11.150 3.722 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.381 2.213 -11.504 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.125 3.517 -10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.882 2.147 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.228 0.832 -9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.370 0.124 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.580 1.476 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.226 2.917 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.142 1.489 -7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.392 1.901 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.822 0.437 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.904 1.821 -10.187 1.00 0.00 H new ATOM 296 N HIS A 19 9.752 3.808 -12.124 1.00 0.00 N ATOM 297 CA HIS A 19 9.187 4.693 -13.128 1.00 0.00 C ATOM 298 C HIS A 19 7.781 5.120 -12.701 1.00 0.00 C ATOM 299 O HIS A 19 6.800 4.451 -13.027 1.00 0.00 O ATOM 300 CB HIS A 19 9.214 4.035 -14.509 1.00 0.00 C ATOM 301 CG HIS A 19 10.553 4.116 -15.202 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.709 4.636 -16.477 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.796 3.739 -14.786 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.991 4.568 -16.801 1.00 0.00 C ATOM 305 NE2 HIS A 19 12.663 4.012 -15.753 1.00 0.00 N ATOM 0 H HIS A 19 9.519 2.822 -12.244 1.00 0.00 H new ATOM 0 HA HIS A 19 9.794 5.594 -13.208 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.932 2.987 -14.406 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.461 4.507 -15.140 1.00 0.00 H new ATOM 0 HD1 HIS A 19 9.963 5.008 -17.065 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.034 3.294 -13.831 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.428 4.896 -17.733 1.00 0.00 H new ATOM 314 N ASN A 20 7.727 6.229 -11.981 1.00 0.00 N ATOM 315 CA ASN A 20 6.457 6.753 -11.507 1.00 0.00 C ATOM 316 C ASN A 20 6.459 8.277 -11.637 1.00 0.00 C ATOM 317 O ASN A 20 5.655 8.959 -11.001 1.00 0.00 O ATOM 318 CB ASN A 20 6.233 6.405 -10.034 1.00 0.00 C ATOM 319 CG ASN A 20 5.217 7.353 -9.394 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.497 8.044 -8.429 1.00 0.00 O ATOM 321 ND2 ASN A 20 4.025 7.345 -9.984 1.00 0.00 N ATOM 0 H ASN A 20 8.542 6.780 -11.714 1.00 0.00 H new ATOM 0 HA ASN A 20 5.663 6.308 -12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.880 5.377 -9.949 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.179 6.463 -9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.277 7.943 -9.631 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.858 6.741 -10.789 1.00 0.00 H new ATOM 328 N ASN A 21 7.368 8.767 -12.465 1.00 0.00 N ATOM 329 CA ASN A 21 7.486 10.199 -12.686 1.00 0.00 C ATOM 330 C ASN A 21 6.904 10.547 -14.059 1.00 0.00 C ATOM 331 O ASN A 21 6.790 9.682 -14.926 1.00 0.00 O ATOM 332 CB ASN A 21 8.949 10.641 -12.668 1.00 0.00 C ATOM 333 CG ASN A 21 9.645 10.179 -11.386 1.00 0.00 C ATOM 334 OD1 ASN A 21 10.454 9.266 -11.383 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.288 10.859 -10.301 1.00 0.00 N ATOM 0 H ASN A 21 8.031 8.198 -12.992 1.00 0.00 H new ATOM 0 HA ASN A 21 6.946 10.709 -11.888 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.467 10.232 -13.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.006 11.727 -12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.698 10.627 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.604 11.613 -10.373 1.00 0.00 H new ATOM 342 N SER A 22 6.551 11.816 -14.212 1.00 0.00 N ATOM 343 CA SER A 22 5.985 12.289 -15.464 1.00 0.00 C ATOM 344 C SER A 22 6.984 12.081 -16.603 1.00 0.00 C ATOM 345 O SER A 22 6.622 12.170 -17.775 1.00 0.00 O ATOM 346 CB SER A 22 5.589 13.763 -15.366 1.00 0.00 C ATOM 347 OG SER A 22 4.579 14.108 -16.310 1.00 0.00 O ATOM 0 H SER A 22 6.646 12.530 -13.490 1.00 0.00 H new ATOM 0 HA SER A 22 5.084 11.712 -15.672 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.232 13.976 -14.359 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.468 14.386 -15.531 1.00 0.00 H new ATOM 0 HG SER A 22 4.352 15.057 -16.215 1.00 0.00 H new ATOM 353 N LYS A 23 8.223 11.807 -16.218 1.00 0.00 N ATOM 354 CA LYS A 23 9.278 11.587 -17.192 1.00 0.00 C ATOM 355 C LYS A 23 9.448 10.084 -17.421 1.00 0.00 C ATOM 356 O LYS A 23 9.991 9.665 -18.442 1.00 0.00 O ATOM 357 CB LYS A 23 10.564 12.293 -16.759 1.00 0.00 C ATOM 358 CG LYS A 23 11.314 12.856 -17.968 1.00 0.00 C ATOM 359 CD LYS A 23 11.336 14.386 -17.933 1.00 0.00 C ATOM 360 CE LYS A 23 10.492 14.972 -19.068 1.00 0.00 C ATOM 361 NZ LYS A 23 10.804 16.406 -19.258 1.00 0.00 N ATOM 0 H LYS A 23 8.519 11.733 -15.245 1.00 0.00 H new ATOM 0 HA LYS A 23 9.009 12.028 -18.152 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.325 13.100 -16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.205 11.593 -16.223 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.335 12.474 -17.978 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.837 12.516 -18.887 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.956 14.737 -16.974 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.363 14.741 -18.018 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.685 14.426 -19.992 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.433 14.851 -18.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.223 16.788 -20.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.598 16.925 -18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.811 16.514 -19.495 1.00 0.00 H new ATOM 375 N SER A 24 8.973 9.314 -16.455 1.00 0.00 N ATOM 376 CA SER A 24 9.065 7.866 -16.537 1.00 0.00 C ATOM 377 C SER A 24 7.838 7.224 -15.887 1.00 0.00 C ATOM 378 O SER A 24 7.947 6.593 -14.836 1.00 0.00 O ATOM 379 CB SER A 24 10.346 7.356 -15.873 1.00 0.00 C ATOM 380 OG SER A 24 11.344 7.016 -16.830 1.00 0.00 O ATOM 0 H SER A 24 8.522 9.665 -15.610 1.00 0.00 H new ATOM 0 HA SER A 24 9.098 7.586 -17.590 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.735 8.120 -15.200 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.115 6.482 -15.264 1.00 0.00 H new ATOM 0 HG SER A 24 12.232 7.160 -16.442 1.00 0.00 H new ATOM 386 N THR A 25 6.698 7.407 -16.538 1.00 0.00 N ATOM 387 CA THR A 25 5.452 6.855 -16.035 1.00 0.00 C ATOM 388 C THR A 25 5.233 5.445 -16.588 1.00 0.00 C ATOM 389 O THR A 25 4.717 5.281 -17.692 1.00 0.00 O ATOM 390 CB THR A 25 4.326 7.828 -16.389 1.00 0.00 C ATOM 391 OG1 THR A 25 4.931 9.115 -16.278 1.00 0.00 O ATOM 392 CG2 THR A 25 3.216 7.847 -15.336 1.00 0.00 C ATOM 0 H THR A 25 6.612 7.930 -17.409 1.00 0.00 H new ATOM 0 HA THR A 25 5.477 6.746 -14.951 1.00 0.00 H new ATOM 0 HB THR A 25 3.904 7.558 -17.357 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.462 9.157 -15.456 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.442 8.554 -15.636 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.783 6.851 -15.246 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.631 8.150 -14.375 1.00 0.00 H new ATOM 400 N TRP A 26 5.637 4.464 -15.795 1.00 0.00 N ATOM 401 CA TRP A 26 5.490 3.074 -16.191 1.00 0.00 C ATOM 402 C TRP A 26 4.469 2.420 -15.256 1.00 0.00 C ATOM 403 O TRP A 26 4.457 2.693 -14.058 1.00 0.00 O ATOM 404 CB TRP A 26 6.842 2.359 -16.192 1.00 0.00 C ATOM 405 CG TRP A 26 7.834 2.905 -17.221 1.00 0.00 C ATOM 406 CD1 TRP A 26 7.671 3.942 -18.055 1.00 0.00 C ATOM 407 CD2 TRP A 26 9.156 2.395 -17.495 1.00 0.00 C ATOM 408 NE1 TRP A 26 8.788 4.138 -18.841 1.00 0.00 N ATOM 409 CE2 TRP A 26 9.720 3.167 -18.490 1.00 0.00 C ATOM 410 CE3 TRP A 26 9.854 1.319 -16.921 1.00 0.00 C ATOM 411 CZ2 TRP A 26 11.006 2.946 -18.999 1.00 0.00 C ATOM 412 CZ3 TRP A 26 11.137 1.110 -17.439 1.00 0.00 C ATOM 413 CH2 TRP A 26 11.718 1.878 -18.441 1.00 0.00 C ATOM 0 H TRP A 26 6.066 4.604 -14.880 1.00 0.00 H new ATOM 0 HA TRP A 26 5.121 3.002 -17.214 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.284 2.438 -15.199 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.680 1.299 -16.385 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.778 4.548 -18.105 1.00 0.00 H new ATOM 0 HE1 TRP A 26 8.908 4.862 -19.549 1.00 0.00 H new ATOM 0 HE3 TRP A 26 9.433 0.702 -16.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.425 3.565 -19.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 11.716 0.295 -17.032 1.00 0.00 H new ATOM 0 HH2 TRP A 26 12.715 1.652 -18.788 1.00 0.00 H new ATOM 424 N LEU A 27 3.640 1.570 -15.842 1.00 0.00 N ATOM 425 CA LEU A 27 2.617 0.875 -15.076 1.00 0.00 C ATOM 426 C LEU A 27 2.323 -0.475 -15.733 1.00 0.00 C ATOM 427 O LEU A 27 2.717 -0.713 -16.874 1.00 0.00 O ATOM 428 CB LEU A 27 1.381 1.760 -14.907 1.00 0.00 C ATOM 429 CG LEU A 27 0.357 1.707 -16.044 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.053 1.716 -17.408 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.577 0.505 -15.885 1.00 0.00 C ATOM 0 H LEU A 27 3.655 1.346 -16.837 1.00 0.00 H new ATOM 0 HA LEU A 27 2.972 0.667 -14.066 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.881 1.478 -13.981 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.711 2.792 -14.790 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.261 2.604 -15.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.304 1.678 -18.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.642 2.627 -17.510 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.709 0.849 -17.487 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.295 0.491 -16.705 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.008 -0.415 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.111 0.582 -14.938 1.00 0.00 H new ATOM 443 N ILE A 28 1.632 -1.323 -14.986 1.00 0.00 N ATOM 444 CA ILE A 28 1.279 -2.643 -15.482 1.00 0.00 C ATOM 445 C ILE A 28 -0.200 -2.659 -15.869 1.00 0.00 C ATOM 446 O ILE A 28 -1.049 -2.191 -15.112 1.00 0.00 O ATOM 447 CB ILE A 28 1.662 -3.718 -14.462 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.731 -3.203 -13.497 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.093 -5.008 -15.161 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.017 -2.845 -14.243 1.00 0.00 C ATOM 0 H ILE A 28 1.307 -1.122 -14.040 1.00 0.00 H new ATOM 0 HA ILE A 28 1.846 -2.876 -16.383 1.00 0.00 H new ATOM 0 HB ILE A 28 0.780 -3.954 -13.867 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.357 -2.326 -12.969 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.943 -3.962 -12.744 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.360 -5.755 -14.414 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.272 -5.383 -15.772 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.955 -4.807 -15.797 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.760 -2.482 -13.533 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.402 -3.730 -14.750 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.807 -2.068 -14.978 1.00 0.00 H new ATOM 462 N LEU A 29 -0.465 -3.203 -17.048 1.00 0.00 N ATOM 463 CA LEU A 29 -1.827 -3.287 -17.544 1.00 0.00 C ATOM 464 C LEU A 29 -2.035 -4.641 -18.225 1.00 0.00 C ATOM 465 O LEU A 29 -1.445 -4.914 -19.270 1.00 0.00 O ATOM 466 CB LEU A 29 -2.144 -2.092 -18.445 1.00 0.00 C ATOM 467 CG LEU A 29 -3.287 -1.186 -17.983 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.076 -0.646 -19.177 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.189 -1.911 -16.981 1.00 0.00 C ATOM 0 H LEU A 29 0.241 -3.590 -17.674 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.536 -3.232 -16.718 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.243 -1.486 -18.541 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.384 -2.467 -19.440 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.856 -0.328 -17.468 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.882 -0.005 -18.820 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.412 -0.069 -19.821 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.497 -1.478 -19.742 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.994 -1.246 -16.668 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.614 -2.799 -17.450 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.603 -2.206 -16.111 1.00 0.00 H new ATOM 481 N HIS A 30 -2.876 -5.456 -17.606 1.00 0.00 N ATOM 482 CA HIS A 30 -3.169 -6.776 -18.138 1.00 0.00 C ATOM 483 C HIS A 30 -1.895 -7.623 -18.140 1.00 0.00 C ATOM 484 O HIS A 30 -1.642 -8.368 -19.085 1.00 0.00 O ATOM 485 CB HIS A 30 -3.814 -6.673 -19.521 1.00 0.00 C ATOM 486 CG HIS A 30 -4.542 -5.371 -19.764 1.00 0.00 C ATOM 487 ND1 HIS A 30 -4.967 -4.548 -18.737 1.00 0.00 N ATOM 488 CD2 HIS A 30 -4.914 -4.761 -20.926 1.00 0.00 C ATOM 489 CE1 HIS A 30 -5.567 -3.492 -19.267 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.533 -3.626 -20.624 1.00 0.00 N ATOM 0 H HIS A 30 -3.364 -5.228 -16.740 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.896 -7.277 -17.498 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.042 -6.793 -20.281 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.515 -7.498 -19.646 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.840 -4.724 -17.740 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.735 -5.137 -21.922 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.006 -2.670 -18.721 1.00 0.00 H new ATOM 499 N TYR A 31 -1.126 -7.479 -17.071 1.00 0.00 N ATOM 500 CA TYR A 31 0.115 -8.223 -16.937 1.00 0.00 C ATOM 501 C TYR A 31 1.197 -7.651 -17.854 1.00 0.00 C ATOM 502 O TYR A 31 2.305 -8.183 -17.922 1.00 0.00 O ATOM 503 CB TYR A 31 -0.201 -9.656 -17.371 1.00 0.00 C ATOM 504 CG TYR A 31 -1.648 -10.080 -17.111 1.00 0.00 C ATOM 505 CD1 TYR A 31 -2.345 -9.540 -16.048 1.00 0.00 C ATOM 506 CD2 TYR A 31 -2.257 -11.001 -17.938 1.00 0.00 C ATOM 507 CE1 TYR A 31 -3.707 -9.939 -15.803 1.00 0.00 C ATOM 508 CE2 TYR A 31 -3.618 -11.401 -17.693 1.00 0.00 C ATOM 509 CZ TYR A 31 -4.276 -10.849 -16.637 1.00 0.00 C ATOM 510 OH TYR A 31 -5.562 -11.226 -16.407 1.00 0.00 O ATOM 0 H TYR A 31 -1.338 -6.858 -16.290 1.00 0.00 H new ATOM 0 HA TYR A 31 0.485 -8.170 -15.913 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.011 -9.757 -18.435 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.467 -10.339 -16.846 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.869 -8.819 -15.401 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.712 -11.422 -18.770 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.264 -9.525 -14.975 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.106 -12.122 -18.332 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.837 -11.881 -17.083 1.00 0.00 H new ATOM 520 N LYS A 32 0.840 -6.575 -18.541 1.00 0.00 N ATOM 521 CA LYS A 32 1.767 -5.926 -19.452 1.00 0.00 C ATOM 522 C LYS A 32 2.272 -4.628 -18.820 1.00 0.00 C ATOM 523 O LYS A 32 1.820 -4.241 -17.742 1.00 0.00 O ATOM 524 CB LYS A 32 1.120 -5.730 -20.824 1.00 0.00 C ATOM 525 CG LYS A 32 0.046 -6.790 -21.080 1.00 0.00 C ATOM 526 CD LYS A 32 0.653 -8.195 -21.088 1.00 0.00 C ATOM 527 CE LYS A 32 -0.237 -9.172 -21.859 1.00 0.00 C ATOM 528 NZ LYS A 32 0.121 -10.570 -21.530 1.00 0.00 N ATOM 0 H LYS A 32 -0.079 -6.137 -18.485 1.00 0.00 H new ATOM 0 HA LYS A 32 2.638 -6.558 -19.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.676 -4.736 -20.882 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.883 -5.785 -21.601 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.723 -6.727 -20.310 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.442 -6.595 -22.035 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.644 -8.164 -21.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.782 -8.545 -20.064 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.283 -8.991 -21.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.127 -9.005 -22.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.493 -11.220 -22.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.114 -10.744 -21.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.006 -10.730 -20.510 1.00 0.00 H new ATOM 542 N VAL A 33 3.202 -3.991 -19.516 1.00 0.00 N ATOM 543 CA VAL A 33 3.773 -2.744 -19.035 1.00 0.00 C ATOM 544 C VAL A 33 3.692 -1.692 -20.142 1.00 0.00 C ATOM 545 O VAL A 33 4.046 -1.962 -21.289 1.00 0.00 O ATOM 546 CB VAL A 33 5.200 -2.980 -18.539 1.00 0.00 C ATOM 547 CG1 VAL A 33 5.781 -1.709 -17.915 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.252 -4.148 -17.551 1.00 0.00 C ATOM 0 H VAL A 33 3.574 -4.315 -20.409 1.00 0.00 H new ATOM 0 HA VAL A 33 3.205 -2.366 -18.185 1.00 0.00 H new ATOM 0 HB VAL A 33 5.814 -3.242 -19.400 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.797 -1.904 -17.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.797 -0.913 -18.659 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.164 -1.403 -17.070 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.278 -4.294 -17.214 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.616 -3.928 -16.693 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.898 -5.055 -18.041 1.00 0.00 H new ATOM 558 N TYR A 34 3.224 -0.511 -19.761 1.00 0.00 N ATOM 559 CA TYR A 34 3.092 0.583 -20.706 1.00 0.00 C ATOM 560 C TYR A 34 3.704 1.869 -20.146 1.00 0.00 C ATOM 561 O TYR A 34 3.861 2.009 -18.933 1.00 0.00 O ATOM 562 CB TYR A 34 1.589 0.791 -20.903 1.00 0.00 C ATOM 563 CG TYR A 34 0.798 -0.506 -21.076 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.704 -1.403 -20.031 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.178 -0.782 -22.278 1.00 0.00 C ATOM 566 CE1 TYR A 34 -0.040 -2.624 -20.194 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.566 -2.004 -22.441 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.638 -2.864 -21.391 1.00 0.00 C ATOM 569 OH TYR A 34 -1.341 -4.018 -21.545 1.00 0.00 O ATOM 0 H TYR A 34 2.932 -0.289 -18.809 1.00 0.00 H new ATOM 0 HA TYR A 34 3.607 0.349 -21.638 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.193 1.334 -20.045 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.432 1.420 -21.779 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.189 -1.188 -19.090 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.251 -0.081 -23.096 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.121 -3.333 -19.384 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.056 -2.232 -23.376 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.778 -4.250 -20.699 1.00 0.00 H new ATOM 579 N ASP A 35 4.032 2.775 -21.055 1.00 0.00 N ATOM 580 CA ASP A 35 4.623 4.044 -20.667 1.00 0.00 C ATOM 581 C ASP A 35 3.549 5.132 -20.692 1.00 0.00 C ATOM 582 O ASP A 35 3.277 5.717 -21.739 1.00 0.00 O ATOM 583 CB ASP A 35 5.734 4.454 -21.637 1.00 0.00 C ATOM 584 CG ASP A 35 7.135 4.518 -21.026 1.00 0.00 C ATOM 585 OD1 ASP A 35 7.424 5.546 -20.373 1.00 0.00 O ATOM 586 OD2 ASP A 35 7.887 3.539 -21.225 1.00 0.00 O ATOM 0 H ASP A 35 3.900 2.655 -22.059 1.00 0.00 H new ATOM 0 HA ASP A 35 5.041 3.929 -19.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.748 3.749 -22.468 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.490 5.432 -22.053 1.00 0.00 H new ATOM 591 N LEU A 36 2.965 5.370 -19.526 1.00 0.00 N ATOM 592 CA LEU A 36 1.925 6.377 -19.402 1.00 0.00 C ATOM 593 C LEU A 36 2.461 7.721 -19.899 1.00 0.00 C ATOM 594 O LEU A 36 1.690 8.587 -20.308 1.00 0.00 O ATOM 595 CB LEU A 36 1.390 6.419 -17.969 1.00 0.00 C ATOM 596 CG LEU A 36 0.653 5.167 -17.490 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.157 5.338 -16.054 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.482 4.798 -18.448 1.00 0.00 C ATOM 0 H LEU A 36 3.193 4.883 -18.659 1.00 0.00 H new ATOM 0 HA LEU A 36 1.071 6.123 -20.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.227 6.604 -17.295 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.715 7.270 -17.879 1.00 0.00 H new ATOM 0 HG LEU A 36 1.358 4.336 -17.490 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.363 4.434 -15.739 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.006 5.517 -15.395 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.526 6.186 -16.004 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.989 3.905 -18.084 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.193 5.622 -18.504 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.073 4.604 -19.439 1.00 0.00 H new ATOM 610 N THR A 37 3.778 7.853 -19.847 1.00 0.00 N ATOM 611 CA THR A 37 4.426 9.077 -20.287 1.00 0.00 C ATOM 612 C THR A 37 3.728 9.632 -21.530 1.00 0.00 C ATOM 613 O THR A 37 3.749 10.838 -21.770 1.00 0.00 O ATOM 614 CB THR A 37 5.910 8.774 -20.506 1.00 0.00 C ATOM 615 OG1 THR A 37 6.383 8.401 -19.214 1.00 0.00 O ATOM 616 CG2 THR A 37 6.718 10.027 -20.852 1.00 0.00 C ATOM 0 H THR A 37 4.414 7.132 -19.507 1.00 0.00 H new ATOM 0 HA THR A 37 4.348 9.860 -19.533 1.00 0.00 H new ATOM 0 HB THR A 37 6.017 8.041 -21.306 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.810 7.520 -19.264 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.764 9.757 -20.997 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.327 10.471 -21.768 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.639 10.747 -20.038 1.00 0.00 H new ATOM 624 N LYS A 38 3.129 8.725 -22.288 1.00 0.00 N ATOM 625 CA LYS A 38 2.427 9.109 -23.501 1.00 0.00 C ATOM 626 C LYS A 38 0.936 9.267 -23.193 1.00 0.00 C ATOM 627 O LYS A 38 0.309 10.235 -23.620 1.00 0.00 O ATOM 628 CB LYS A 38 2.721 8.117 -24.627 1.00 0.00 C ATOM 629 CG LYS A 38 2.255 8.667 -25.977 1.00 0.00 C ATOM 630 CD LYS A 38 1.139 7.799 -26.566 1.00 0.00 C ATOM 631 CE LYS A 38 0.313 8.587 -27.583 1.00 0.00 C ATOM 632 NZ LYS A 38 0.799 8.328 -28.958 1.00 0.00 N ATOM 0 H LYS A 38 3.115 7.725 -22.086 1.00 0.00 H new ATOM 0 HA LYS A 38 2.783 10.075 -23.858 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.790 7.910 -24.664 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.220 7.171 -24.423 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.899 9.690 -25.854 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.096 8.703 -26.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.571 6.920 -27.045 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.492 7.440 -25.766 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.737 8.306 -27.503 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.376 9.653 -27.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.227 8.871 -29.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.795 8.618 -29.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.717 7.313 -29.170 1.00 0.00 H new ATOM 646 N PHE A 39 0.411 8.300 -22.455 1.00 0.00 N ATOM 647 CA PHE A 39 -0.994 8.319 -22.085 1.00 0.00 C ATOM 648 C PHE A 39 -1.254 9.331 -20.968 1.00 0.00 C ATOM 649 O PHE A 39 -2.374 9.440 -20.472 1.00 0.00 O ATOM 650 CB PHE A 39 -1.342 6.918 -21.579 1.00 0.00 C ATOM 651 CG PHE A 39 -0.820 5.787 -22.467 1.00 0.00 C ATOM 652 CD1 PHE A 39 -0.527 6.028 -23.773 1.00 0.00 C ATOM 653 CD2 PHE A 39 -0.649 4.540 -21.952 1.00 0.00 C ATOM 654 CE1 PHE A 39 -0.042 4.980 -24.599 1.00 0.00 C ATOM 655 CE2 PHE A 39 -0.166 3.490 -22.777 1.00 0.00 C ATOM 656 CZ PHE A 39 0.128 3.732 -24.083 1.00 0.00 C ATOM 0 H PHE A 39 0.934 7.498 -22.103 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.601 8.604 -22.944 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.936 6.794 -20.575 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.425 6.831 -21.498 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.663 7.018 -24.182 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.881 4.348 -20.915 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.192 5.173 -25.636 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.032 2.500 -22.368 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.496 2.934 -24.710 1.00 0.00 H new ATOM 666 N LEU A 40 -0.200 10.047 -20.604 1.00 0.00 N ATOM 667 CA LEU A 40 -0.298 11.047 -19.555 1.00 0.00 C ATOM 668 C LEU A 40 -1.271 12.143 -19.993 1.00 0.00 C ATOM 669 O LEU A 40 -2.137 12.556 -19.222 1.00 0.00 O ATOM 670 CB LEU A 40 1.089 11.569 -19.179 1.00 0.00 C ATOM 671 CG LEU A 40 1.343 11.783 -17.686 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.212 10.661 -17.112 1.00 0.00 C ATOM 673 CD2 LEU A 40 1.945 13.165 -17.424 1.00 0.00 C ATOM 0 H LEU A 40 0.728 9.954 -21.018 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.702 10.606 -18.644 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.834 10.869 -19.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.251 12.516 -19.694 1.00 0.00 H new ATOM 0 HG LEU A 40 0.385 11.746 -17.168 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.378 10.837 -16.049 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.707 9.704 -17.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.171 10.642 -17.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.116 13.291 -16.355 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.892 13.256 -17.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.257 13.934 -17.775 1.00 0.00 H new ATOM 685 N GLU A 41 -1.097 12.586 -21.230 1.00 0.00 N ATOM 686 CA GLU A 41 -1.949 13.628 -21.779 1.00 0.00 C ATOM 687 C GLU A 41 -3.343 13.071 -22.076 1.00 0.00 C ATOM 688 O GLU A 41 -4.298 13.369 -21.360 1.00 0.00 O ATOM 689 CB GLU A 41 -1.324 14.241 -23.034 1.00 0.00 C ATOM 690 CG GLU A 41 -1.168 15.755 -22.885 1.00 0.00 C ATOM 691 CD GLU A 41 -2.173 16.499 -23.768 1.00 0.00 C ATOM 692 OE1 GLU A 41 -3.369 16.490 -23.401 1.00 0.00 O ATOM 693 OE2 GLU A 41 -1.725 17.058 -24.793 1.00 0.00 O ATOM 0 H GLU A 41 -0.379 12.242 -21.868 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.046 14.421 -21.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.350 13.788 -23.218 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.947 14.020 -23.900 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.314 16.039 -21.843 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.154 16.048 -23.156 1.00 0.00 H new ATOM 700 N GLU A 42 -3.415 12.275 -23.131 1.00 0.00 N ATOM 701 CA GLU A 42 -4.677 11.675 -23.532 1.00 0.00 C ATOM 702 C GLU A 42 -5.366 11.037 -22.325 1.00 0.00 C ATOM 703 O GLU A 42 -4.923 10.003 -21.825 1.00 0.00 O ATOM 704 CB GLU A 42 -4.466 10.652 -24.648 1.00 0.00 C ATOM 705 CG GLU A 42 -3.977 11.328 -25.930 1.00 0.00 C ATOM 706 CD GLU A 42 -5.089 12.162 -26.568 1.00 0.00 C ATOM 707 OE1 GLU A 42 -5.974 11.543 -27.197 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.029 13.402 -26.413 1.00 0.00 O ATOM 0 H GLU A 42 -2.620 12.031 -23.722 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.324 12.460 -23.922 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.740 9.905 -24.328 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.400 10.126 -24.844 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.122 11.966 -25.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.634 10.572 -26.636 1.00 0.00 H new ATOM 715 N HIS A 43 -6.442 11.678 -21.890 1.00 0.00 N ATOM 716 CA HIS A 43 -7.197 11.186 -20.751 1.00 0.00 C ATOM 717 C HIS A 43 -8.262 12.213 -20.359 1.00 0.00 C ATOM 718 O HIS A 43 -7.955 13.389 -20.170 1.00 0.00 O ATOM 719 CB HIS A 43 -6.264 10.828 -19.593 1.00 0.00 C ATOM 720 CG HIS A 43 -6.417 9.410 -19.095 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.457 8.435 -19.304 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.426 8.816 -18.398 1.00 0.00 C ATOM 723 CE1 HIS A 43 -5.882 7.307 -18.752 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.102 7.544 -18.192 1.00 0.00 N ATOM 0 H HIS A 43 -6.808 12.534 -22.307 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.712 10.265 -21.023 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.233 10.981 -19.911 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.448 11.514 -18.766 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.574 8.563 -19.798 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.335 9.297 -18.069 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.354 6.365 -18.747 1.00 0.00 H new ATOM 733 N PRO A 44 -9.524 11.718 -20.246 1.00 0.00 N ATOM 734 CA PRO A 44 -10.635 12.580 -19.880 1.00 0.00 C ATOM 735 C PRO A 44 -10.599 12.918 -18.389 1.00 0.00 C ATOM 736 O PRO A 44 -11.467 13.630 -17.890 1.00 0.00 O ATOM 737 CB PRO A 44 -11.881 11.807 -20.283 1.00 0.00 C ATOM 738 CG PRO A 44 -11.443 10.358 -20.429 1.00 0.00 C ATOM 739 CD PRO A 44 -9.924 10.331 -20.465 1.00 0.00 C ATOM 0 HA PRO A 44 -10.601 13.546 -20.383 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.662 11.905 -19.529 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.291 12.187 -21.219 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.816 9.761 -19.597 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.854 9.925 -21.341 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.521 9.676 -19.693 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.557 9.959 -21.422 1.00 0.00 H new ATOM 747 N GLY A 45 -9.582 12.393 -17.721 1.00 0.00 N ATOM 748 CA GLY A 45 -9.420 12.631 -16.297 1.00 0.00 C ATOM 749 C GLY A 45 -8.233 13.559 -16.027 1.00 0.00 C ATOM 750 O GLY A 45 -8.384 14.591 -15.377 1.00 0.00 O ATOM 0 H GLY A 45 -8.862 11.804 -18.140 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.331 13.073 -15.893 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.269 11.683 -15.781 1.00 0.00 H new ATOM 754 N GLY A 46 -7.080 13.156 -16.540 1.00 0.00 N ATOM 755 CA GLY A 46 -5.869 13.937 -16.363 1.00 0.00 C ATOM 756 C GLY A 46 -4.624 13.060 -16.505 1.00 0.00 C ATOM 757 O GLY A 46 -4.713 11.917 -16.952 1.00 0.00 O ATOM 0 H GLY A 46 -6.959 12.298 -17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.839 14.739 -17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.876 14.408 -15.380 1.00 0.00 H new ATOM 761 N GLU A 47 -3.492 13.626 -16.115 1.00 0.00 N ATOM 762 CA GLU A 47 -2.231 12.910 -16.193 1.00 0.00 C ATOM 763 C GLU A 47 -2.026 12.057 -14.939 1.00 0.00 C ATOM 764 O GLU A 47 -1.628 10.897 -15.029 1.00 0.00 O ATOM 765 CB GLU A 47 -1.062 13.877 -16.396 1.00 0.00 C ATOM 766 CG GLU A 47 -1.063 14.447 -17.816 1.00 0.00 C ATOM 767 CD GLU A 47 -0.471 15.858 -17.842 1.00 0.00 C ATOM 768 OE1 GLU A 47 0.722 15.978 -17.489 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.224 16.782 -18.213 1.00 0.00 O ATOM 0 H GLU A 47 -3.422 14.573 -15.744 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.265 12.247 -17.058 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.129 14.691 -15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.121 13.360 -16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.488 13.795 -18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.082 14.469 -18.202 1.00 0.00 H new ATOM 776 N GLU A 48 -2.306 12.669 -13.796 1.00 0.00 N ATOM 777 CA GLU A 48 -2.157 11.980 -12.525 1.00 0.00 C ATOM 778 C GLU A 48 -2.804 10.594 -12.591 1.00 0.00 C ATOM 779 O GLU A 48 -2.183 9.599 -12.227 1.00 0.00 O ATOM 780 CB GLU A 48 -2.748 12.807 -11.382 1.00 0.00 C ATOM 781 CG GLU A 48 -1.794 12.852 -10.187 1.00 0.00 C ATOM 782 CD GLU A 48 -1.763 14.249 -9.562 1.00 0.00 C ATOM 783 OE1 GLU A 48 -1.940 15.219 -10.332 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.563 14.316 -8.330 1.00 0.00 O ATOM 0 H GLU A 48 -2.634 13.632 -13.724 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.093 11.852 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.950 13.820 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.702 12.379 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.107 12.122 -9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.791 12.571 -10.507 1.00 0.00 H new ATOM 791 N VAL A 49 -4.043 10.578 -13.060 1.00 0.00 N ATOM 792 CA VAL A 49 -4.781 9.332 -13.180 1.00 0.00 C ATOM 793 C VAL A 49 -3.826 8.219 -13.614 1.00 0.00 C ATOM 794 O VAL A 49 -3.996 7.064 -13.224 1.00 0.00 O ATOM 795 CB VAL A 49 -5.962 9.513 -14.137 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.477 9.853 -15.548 1.00 0.00 C ATOM 797 CG2 VAL A 49 -6.853 8.269 -14.147 1.00 0.00 C ATOM 0 H VAL A 49 -4.554 11.408 -13.361 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.202 9.043 -12.217 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.560 10.351 -13.778 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.336 9.976 -16.208 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.903 10.779 -15.522 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.846 9.046 -15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.685 8.423 -14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.270 7.406 -14.470 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.240 8.090 -13.144 1.00 0.00 H new ATOM 807 N LEU A 50 -2.842 8.604 -14.411 1.00 0.00 N ATOM 808 CA LEU A 50 -1.860 7.652 -14.902 1.00 0.00 C ATOM 809 C LEU A 50 -0.656 7.635 -13.957 1.00 0.00 C ATOM 810 O LEU A 50 -0.081 6.580 -13.699 1.00 0.00 O ATOM 811 CB LEU A 50 -1.495 7.958 -16.356 1.00 0.00 C ATOM 812 CG LEU A 50 -2.667 8.050 -17.336 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.089 9.503 -17.551 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.334 7.349 -18.655 1.00 0.00 C ATOM 0 H LEU A 50 -2.703 9.563 -14.730 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.277 6.645 -14.908 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.950 8.902 -16.382 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.812 7.185 -16.709 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.519 7.529 -16.900 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.923 9.540 -18.251 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.395 9.938 -16.599 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.250 10.069 -17.956 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.183 7.429 -19.334 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.462 7.821 -19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.120 6.297 -18.464 1.00 0.00 H new ATOM 826 N ARG A 51 -0.312 8.817 -13.468 1.00 0.00 N ATOM 827 CA ARG A 51 0.812 8.952 -12.558 1.00 0.00 C ATOM 828 C ARG A 51 0.513 8.240 -11.237 1.00 0.00 C ATOM 829 O ARG A 51 1.382 7.574 -10.676 1.00 0.00 O ATOM 830 CB ARG A 51 1.121 10.424 -12.277 1.00 0.00 C ATOM 831 CG ARG A 51 2.586 10.610 -11.876 1.00 0.00 C ATOM 832 CD ARG A 51 2.701 11.359 -10.547 1.00 0.00 C ATOM 833 NE ARG A 51 2.474 12.806 -10.760 1.00 0.00 N ATOM 834 CZ ARG A 51 3.409 13.656 -11.201 1.00 0.00 C ATOM 835 NH1 ARG A 51 4.642 13.209 -11.481 1.00 0.00 N ATOM 836 NH2 ARG A 51 3.115 14.953 -11.365 1.00 0.00 N ATOM 0 H ARG A 51 -0.792 9.690 -13.685 1.00 0.00 H new ATOM 0 HA ARG A 51 1.680 8.495 -13.034 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.904 11.020 -13.163 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.473 10.790 -11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.070 9.637 -11.792 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.113 11.162 -12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.973 10.969 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.688 11.197 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 51 1.546 13.179 -10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.867 12.222 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.355 13.856 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.177 15.294 -11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.829 15.599 -11.701 1.00 0.00 H new ATOM 850 N GLU A 52 -0.718 8.406 -10.777 1.00 0.00 N ATOM 851 CA GLU A 52 -1.143 7.786 -9.534 1.00 0.00 C ATOM 852 C GLU A 52 -1.098 6.263 -9.656 1.00 0.00 C ATOM 853 O GLU A 52 -1.136 5.554 -8.651 1.00 0.00 O ATOM 854 CB GLU A 52 -2.540 8.263 -9.132 1.00 0.00 C ATOM 855 CG GLU A 52 -3.588 7.806 -10.148 1.00 0.00 C ATOM 856 CD GLU A 52 -4.951 7.611 -9.479 1.00 0.00 C ATOM 857 OE1 GLU A 52 -5.683 8.618 -9.375 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.229 6.456 -9.088 1.00 0.00 O ATOM 0 H GLU A 52 -1.435 8.961 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.452 8.088 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.791 7.874 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.550 9.350 -9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.673 8.544 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.269 6.872 -10.610 1.00 0.00 H new ATOM 865 N GLN A 53 -1.020 5.803 -10.896 1.00 0.00 N ATOM 866 CA GLN A 53 -0.969 4.375 -11.164 1.00 0.00 C ATOM 867 C GLN A 53 0.441 3.965 -11.596 1.00 0.00 C ATOM 868 O GLN A 53 0.813 2.798 -11.483 1.00 0.00 O ATOM 869 CB GLN A 53 -2.003 3.978 -12.218 1.00 0.00 C ATOM 870 CG GLN A 53 -1.805 4.777 -13.507 1.00 0.00 C ATOM 871 CD GLN A 53 -2.858 4.401 -14.553 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.704 3.462 -15.316 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.932 5.184 -14.544 1.00 0.00 N ATOM 0 H GLN A 53 -0.991 6.394 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.214 3.844 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.921 2.912 -12.430 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.007 4.149 -11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.867 5.844 -13.291 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.808 4.590 -13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.997 5.954 -13.878 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.692 5.015 -15.203 1.00 0.00 H new ATOM 882 N ALA A 54 1.185 4.947 -12.081 1.00 0.00 N ATOM 883 CA ALA A 54 2.545 4.703 -12.531 1.00 0.00 C ATOM 884 C ALA A 54 3.410 4.305 -11.334 1.00 0.00 C ATOM 885 O ALA A 54 3.448 5.011 -10.328 1.00 0.00 O ATOM 886 CB ALA A 54 3.077 5.946 -13.247 1.00 0.00 C ATOM 0 H ALA A 54 0.872 5.914 -12.172 1.00 0.00 H new ATOM 0 HA ALA A 54 2.571 3.880 -13.245 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.097 5.763 -13.584 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.445 6.169 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.068 6.793 -12.561 1.00 0.00 H new ATOM 892 N GLY A 55 4.083 3.173 -11.481 1.00 0.00 N ATOM 893 CA GLY A 55 4.945 2.671 -10.424 1.00 0.00 C ATOM 894 C GLY A 55 4.462 1.309 -9.922 1.00 0.00 C ATOM 895 O GLY A 55 4.935 0.817 -8.900 1.00 0.00 O ATOM 0 H GLY A 55 4.049 2.589 -12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.967 2.585 -10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.964 3.381 -9.597 1.00 0.00 H new ATOM 899 N GLY A 56 3.525 0.738 -10.667 1.00 0.00 N ATOM 900 CA GLY A 56 2.974 -0.558 -10.310 1.00 0.00 C ATOM 901 C GLY A 56 1.810 -0.929 -11.230 1.00 0.00 C ATOM 902 O GLY A 56 1.472 -0.179 -12.145 1.00 0.00 O ATOM 0 H GLY A 56 3.135 1.149 -11.515 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.752 -1.319 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.633 -0.540 -9.275 1.00 0.00 H new ATOM 906 N ASP A 57 1.228 -2.089 -10.958 1.00 0.00 N ATOM 907 CA ASP A 57 0.109 -2.570 -11.751 1.00 0.00 C ATOM 908 C ASP A 57 -1.091 -1.644 -11.545 1.00 0.00 C ATOM 909 O ASP A 57 -1.400 -1.263 -10.417 1.00 0.00 O ATOM 910 CB ASP A 57 -0.303 -3.979 -11.322 1.00 0.00 C ATOM 911 CG ASP A 57 -1.777 -4.136 -10.947 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.110 -3.785 -9.795 1.00 0.00 O ATOM 913 OD2 ASP A 57 -2.539 -4.602 -11.821 1.00 0.00 O ATOM 0 H ASP A 57 1.511 -2.709 -10.199 1.00 0.00 H new ATOM 0 HA ASP A 57 0.418 -2.586 -12.796 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.074 -4.671 -12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.307 -4.275 -10.469 1.00 0.00 H new ATOM 918 N ALA A 58 -1.734 -1.308 -12.654 1.00 0.00 N ATOM 919 CA ALA A 58 -2.895 -0.432 -12.608 1.00 0.00 C ATOM 920 C ALA A 58 -4.117 -1.186 -13.137 1.00 0.00 C ATOM 921 O ALA A 58 -5.248 -0.737 -12.966 1.00 0.00 O ATOM 922 CB ALA A 58 -2.605 0.841 -13.406 1.00 0.00 C ATOM 0 H ALA A 58 -1.475 -1.625 -13.588 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.110 -0.132 -11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.474 1.498 -13.372 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.746 1.354 -12.974 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.388 0.580 -14.442 1.00 0.00 H new ATOM 928 N THR A 59 -3.846 -2.318 -13.770 1.00 0.00 N ATOM 929 CA THR A 59 -4.909 -3.138 -14.325 1.00 0.00 C ATOM 930 C THR A 59 -5.993 -3.388 -13.275 1.00 0.00 C ATOM 931 O THR A 59 -7.182 -3.385 -13.590 1.00 0.00 O ATOM 932 CB THR A 59 -4.281 -4.423 -14.868 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.083 -4.749 -16.001 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.469 -5.612 -13.922 1.00 0.00 C ATOM 0 H THR A 59 -2.905 -2.687 -13.911 1.00 0.00 H new ATOM 0 HA THR A 59 -5.410 -2.631 -15.149 1.00 0.00 H new ATOM 0 HB THR A 59 -3.217 -4.262 -15.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.777 -4.067 -16.117 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.005 -6.498 -14.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.003 -5.390 -12.962 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.533 -5.795 -13.775 1.00 0.00 H new ATOM 942 N GLU A 60 -5.544 -3.600 -12.046 1.00 0.00 N ATOM 943 CA GLU A 60 -6.460 -3.851 -10.946 1.00 0.00 C ATOM 944 C GLU A 60 -7.468 -2.708 -10.824 1.00 0.00 C ATOM 945 O GLU A 60 -8.586 -2.910 -10.352 1.00 0.00 O ATOM 946 CB GLU A 60 -5.699 -4.056 -9.635 1.00 0.00 C ATOM 947 CG GLU A 60 -5.036 -2.755 -9.177 1.00 0.00 C ATOM 948 CD GLU A 60 -5.751 -2.175 -7.955 1.00 0.00 C ATOM 949 OE1 GLU A 60 -6.950 -1.853 -8.099 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.082 -2.064 -6.906 1.00 0.00 O ATOM 0 H GLU A 60 -4.557 -3.603 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.007 -4.770 -11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.384 -4.410 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.941 -4.828 -9.767 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.990 -2.941 -8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.051 -2.029 -9.990 1.00 0.00 H new ATOM 957 N ASN A 61 -7.037 -1.531 -11.256 1.00 0.00 N ATOM 958 CA ASN A 61 -7.888 -0.355 -11.200 1.00 0.00 C ATOM 959 C ASN A 61 -8.588 -0.175 -12.548 1.00 0.00 C ATOM 960 O ASN A 61 -9.809 -0.030 -12.603 1.00 0.00 O ATOM 961 CB ASN A 61 -7.068 0.905 -10.920 1.00 0.00 C ATOM 962 CG ASN A 61 -7.602 1.646 -9.693 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.625 2.309 -9.731 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.852 1.497 -8.603 1.00 0.00 N ATOM 0 H ASN A 61 -6.109 -1.367 -11.646 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.612 -0.499 -10.398 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.024 0.636 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.098 1.563 -11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.123 1.952 -7.731 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.007 0.927 -8.640 1.00 0.00 H new ATOM 971 N PHE A 62 -7.787 -0.188 -13.603 1.00 0.00 N ATOM 972 CA PHE A 62 -8.314 -0.025 -14.946 1.00 0.00 C ATOM 973 C PHE A 62 -9.485 -0.978 -15.194 1.00 0.00 C ATOM 974 O PHE A 62 -10.312 -0.738 -16.072 1.00 0.00 O ATOM 975 CB PHE A 62 -7.181 -0.366 -15.916 1.00 0.00 C ATOM 976 CG PHE A 62 -7.570 -1.377 -16.997 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.519 -2.710 -16.733 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.966 -0.942 -18.224 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.879 -3.648 -17.737 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.328 -1.879 -19.227 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.277 -3.212 -18.962 1.00 0.00 C ATOM 0 H PHE A 62 -6.775 -0.309 -13.554 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.674 0.995 -15.083 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.840 0.551 -16.397 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.338 -0.762 -15.349 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.205 -3.056 -15.759 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.005 0.117 -18.435 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.837 -4.707 -17.528 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.644 -1.533 -20.200 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.553 -3.925 -19.725 1.00 0.00 H new ATOM 991 N GLU A 63 -9.519 -2.042 -14.404 1.00 0.00 N ATOM 992 CA GLU A 63 -10.574 -3.033 -14.525 1.00 0.00 C ATOM 993 C GLU A 63 -11.830 -2.565 -13.787 1.00 0.00 C ATOM 994 O GLU A 63 -12.947 -2.818 -14.232 1.00 0.00 O ATOM 995 CB GLU A 63 -10.110 -4.396 -14.008 1.00 0.00 C ATOM 996 CG GLU A 63 -9.687 -5.305 -15.164 1.00 0.00 C ATOM 997 CD GLU A 63 -10.595 -6.534 -15.255 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.607 -7.304 -14.270 1.00 0.00 O ATOM 999 OE2 GLU A 63 -11.254 -6.675 -16.306 1.00 0.00 O ATOM 0 H GLU A 63 -8.831 -2.239 -13.677 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.818 -3.147 -15.581 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.275 -4.263 -13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.915 -4.869 -13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.726 -4.750 -16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.653 -5.621 -15.023 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.603 -1.889 -12.670 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.701 -1.384 -11.864 1.00 0.00 C ATOM 1008 C ASP A 64 -13.400 -0.249 -12.618 1.00 0.00 C ATOM 1009 O ASP A 64 -14.595 -0.024 -12.437 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.196 -0.824 -10.532 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.094 0.237 -9.894 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.269 -0.100 -9.627 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.587 1.360 -9.686 1.00 0.00 O ATOM 0 H ASP A 64 -10.674 -1.679 -12.304 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.386 -2.210 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.079 -1.649 -9.829 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.206 -0.395 -10.688 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.624 0.434 -13.446 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.155 1.539 -14.227 1.00 0.00 C ATOM 1020 C VAL A 65 -13.639 1.014 -15.580 1.00 0.00 C ATOM 1021 O VAL A 65 -14.006 1.794 -16.458 1.00 0.00 O ATOM 1022 CB VAL A 65 -12.101 2.640 -14.357 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.836 2.285 -13.573 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.777 2.919 -15.826 1.00 0.00 C ATOM 0 H VAL A 65 -11.633 0.244 -13.593 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.013 1.985 -13.724 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.515 3.552 -13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.104 3.085 -13.683 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.084 2.162 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.418 1.355 -13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.025 3.706 -15.890 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.393 2.012 -16.293 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.681 3.239 -16.344 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.626 -0.305 -15.707 1.00 0.00 N ATOM 1035 CA GLY A 66 -14.061 -0.943 -16.938 1.00 0.00 C ATOM 1036 C GLY A 66 -13.666 -0.107 -18.157 1.00 0.00 C ATOM 1037 O GLY A 66 -14.530 0.360 -18.899 1.00 0.00 O ATOM 0 H GLY A 66 -13.321 -0.949 -14.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.617 -1.936 -17.014 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.142 -1.078 -16.920 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.363 0.055 -18.327 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.843 0.826 -19.444 1.00 0.00 C ATOM 1043 C HIS A 67 -12.477 0.333 -20.746 1.00 0.00 C ATOM 1044 O HIS A 67 -13.307 -0.576 -20.733 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.315 0.778 -19.472 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.652 1.810 -18.590 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.469 1.626 -17.230 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.130 3.034 -18.887 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.865 2.699 -16.742 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.656 3.571 -17.769 1.00 0.00 N ATOM 0 H HIS A 67 -11.651 -0.335 -17.710 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.113 1.875 -19.324 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.987 -0.214 -19.162 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.976 0.920 -20.498 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.751 0.804 -16.695 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.106 3.490 -19.866 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.587 2.856 -15.710 1.00 0.00 H new ATOM 1059 N SER A 68 -12.061 0.953 -21.841 1.00 0.00 N ATOM 1060 CA SER A 68 -12.578 0.589 -23.150 1.00 0.00 C ATOM 1061 C SER A 68 -11.515 -0.184 -23.934 1.00 0.00 C ATOM 1062 O SER A 68 -10.320 -0.009 -23.705 1.00 0.00 O ATOM 1063 CB SER A 68 -13.020 1.827 -23.932 1.00 0.00 C ATOM 1064 OG SER A 68 -11.947 2.404 -24.670 1.00 0.00 O ATOM 0 H SER A 68 -11.372 1.705 -21.849 1.00 0.00 H new ATOM 0 HA SER A 68 -13.452 -0.047 -23.009 1.00 0.00 H new ATOM 0 HB2 SER A 68 -13.825 1.556 -24.615 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.424 2.567 -23.241 1.00 0.00 H new ATOM 0 HG SER A 68 -11.491 3.071 -24.116 1.00 0.00 H new ATOM 1070 N THR A 69 -11.990 -1.020 -24.845 1.00 0.00 N ATOM 1071 CA THR A 69 -11.096 -1.820 -25.666 1.00 0.00 C ATOM 1072 C THR A 69 -10.115 -0.918 -26.420 1.00 0.00 C ATOM 1073 O THR A 69 -9.023 -1.351 -26.785 1.00 0.00 O ATOM 1074 CB THR A 69 -11.951 -2.692 -26.587 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.326 -3.796 -25.768 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.137 -3.324 -27.716 1.00 0.00 C ATOM 0 H THR A 69 -12.983 -1.161 -25.033 1.00 0.00 H new ATOM 0 HA THR A 69 -10.480 -2.478 -25.054 1.00 0.00 H new ATOM 0 HB THR A 69 -12.755 -2.092 -27.013 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.885 -4.412 -26.286 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.792 -3.932 -28.340 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.685 -2.539 -28.322 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.353 -3.952 -27.292 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.542 0.318 -26.631 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.716 1.285 -27.336 1.00 0.00 C ATOM 1086 C ASP A 70 -8.564 1.721 -26.428 1.00 0.00 C ATOM 1087 O ASP A 70 -7.424 1.832 -26.876 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.521 2.530 -27.709 1.00 0.00 C ATOM 1089 CG ASP A 70 -9.770 3.556 -28.561 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -8.615 3.861 -28.192 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.367 4.010 -29.560 1.00 0.00 O ATOM 0 H ASP A 70 -11.449 0.673 -26.327 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.344 0.812 -28.245 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.415 2.218 -28.248 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.855 3.016 -26.792 1.00 0.00 H new ATOM 1096 N ALA A 71 -8.901 1.958 -25.169 1.00 0.00 N ATOM 1097 CA ALA A 71 -7.910 2.381 -24.194 1.00 0.00 C ATOM 1098 C ALA A 71 -6.802 1.328 -24.111 1.00 0.00 C ATOM 1099 O ALA A 71 -5.620 1.664 -24.126 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.590 2.621 -22.846 1.00 0.00 C ATOM 0 H ALA A 71 -9.848 1.865 -24.801 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.449 3.321 -24.497 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.847 2.938 -22.115 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.347 3.397 -22.954 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.062 1.699 -22.507 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.227 0.076 -24.025 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.286 -1.028 -23.938 1.00 0.00 C ATOM 1108 C ARG A 72 -5.431 -1.096 -25.204 1.00 0.00 C ATOM 1109 O ARG A 72 -4.218 -1.299 -25.130 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.015 -2.361 -23.752 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.018 -2.279 -22.597 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.783 -3.595 -22.442 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.908 -4.619 -21.828 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.105 -5.940 -21.939 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -9.146 -6.405 -22.642 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -7.261 -6.796 -21.347 1.00 0.00 N ATOM 0 H ARG A 72 -8.209 -0.198 -24.014 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.648 -0.852 -23.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.535 -2.627 -24.672 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.291 -3.152 -23.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.493 -2.048 -21.670 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.720 -1.465 -22.777 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.667 -3.441 -21.823 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.132 -3.939 -23.415 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.105 -4.299 -21.287 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.789 -5.754 -23.093 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.296 -7.410 -22.727 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.468 -6.442 -20.812 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.411 -7.801 -21.432 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.093 -0.923 -26.339 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.408 -0.963 -27.619 1.00 0.00 C ATOM 1132 C GLU A 73 -4.389 0.174 -27.711 1.00 0.00 C ATOM 1133 O GLU A 73 -3.242 -0.046 -28.102 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.406 -0.899 -28.778 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.001 -1.853 -29.903 1.00 0.00 C ATOM 1136 CD GLU A 73 -7.176 -2.116 -30.848 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -8.191 -2.654 -30.354 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.033 -1.774 -32.041 1.00 0.00 O ATOM 0 H GLU A 73 -7.097 -0.755 -26.398 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.875 -1.911 -27.694 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.403 -1.156 -28.419 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.459 0.120 -29.162 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.168 -1.428 -30.463 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.653 -2.795 -29.479 1.00 0.00 H new ATOM 1145 N LEU A 74 -4.842 1.364 -27.345 1.00 0.00 N ATOM 1146 CA LEU A 74 -3.984 2.535 -27.382 1.00 0.00 C ATOM 1147 C LEU A 74 -2.725 2.266 -26.555 1.00 0.00 C ATOM 1148 O LEU A 74 -1.626 2.663 -26.942 1.00 0.00 O ATOM 1149 CB LEU A 74 -4.756 3.780 -26.937 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.383 4.346 -25.566 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.303 5.423 -25.693 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.622 4.860 -24.831 1.00 0.00 C ATOM 0 H LEU A 74 -5.793 1.542 -27.021 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.659 2.736 -28.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.608 4.561 -27.683 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.820 3.541 -26.932 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.963 3.539 -24.965 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.056 5.809 -24.704 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.411 4.992 -26.148 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.672 6.236 -26.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.330 5.257 -23.859 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.093 5.648 -25.419 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.328 4.041 -24.691 1.00 0.00 H new ATOM 1164 N SER A 75 -2.925 1.592 -25.432 1.00 0.00 N ATOM 1165 CA SER A 75 -1.821 1.265 -24.548 1.00 0.00 C ATOM 1166 C SER A 75 -0.804 0.388 -25.283 1.00 0.00 C ATOM 1167 O SER A 75 0.403 0.550 -25.107 1.00 0.00 O ATOM 1168 CB SER A 75 -2.316 0.558 -23.284 1.00 0.00 C ATOM 1169 OG SER A 75 -3.738 0.516 -23.220 1.00 0.00 O ATOM 0 H SER A 75 -3.837 1.263 -25.114 1.00 0.00 H new ATOM 0 HA SER A 75 -1.339 2.195 -24.246 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.922 -0.458 -23.258 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.928 1.073 -22.405 1.00 0.00 H new ATOM 0 HG SER A 75 -4.097 1.422 -23.323 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.329 -0.520 -26.090 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.483 -1.423 -26.852 1.00 0.00 C ATOM 1177 C LYS A 76 0.377 -0.611 -27.822 1.00 0.00 C ATOM 1178 O LYS A 76 1.283 -1.152 -28.455 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.327 -2.503 -27.534 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.348 -2.306 -29.051 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.289 -3.309 -29.720 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.619 -2.879 -31.151 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.979 -4.054 -31.976 1.00 0.00 N ATOM 0 H LYS A 76 -2.330 -0.651 -26.234 1.00 0.00 H new ATOM 0 HA LYS A 76 0.199 -1.956 -26.189 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.924 -3.488 -27.297 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.345 -2.473 -27.146 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.667 -1.290 -29.285 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.341 -2.424 -29.451 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.827 -4.296 -29.730 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.208 -3.393 -29.140 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.444 -2.167 -31.142 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.762 -2.368 -31.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.200 -3.744 -32.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.180 -4.720 -31.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.810 -4.525 -31.565 1.00 0.00 H new ATOM 1197 N THR A 77 0.062 0.673 -27.910 1.00 0.00 N ATOM 1198 CA THR A 77 0.794 1.564 -28.793 1.00 0.00 C ATOM 1199 C THR A 77 2.125 1.971 -28.156 1.00 0.00 C ATOM 1200 O THR A 77 3.144 2.058 -28.839 1.00 0.00 O ATOM 1201 CB THR A 77 -0.110 2.752 -29.121 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.325 3.174 -30.411 1.00 0.00 O ATOM 1203 CG2 THR A 77 0.159 3.962 -28.223 1.00 0.00 C ATOM 0 H THR A 77 -0.691 1.117 -27.384 1.00 0.00 H new ATOM 0 HA THR A 77 1.055 1.068 -29.728 1.00 0.00 H new ATOM 0 HB THR A 77 -1.153 2.451 -29.020 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.211 3.941 -30.702 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.511 4.776 -28.500 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.013 3.688 -27.182 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.193 4.284 -28.347 1.00 0.00 H new ATOM 1211 N PHE A 78 2.071 2.210 -26.853 1.00 0.00 N ATOM 1212 CA PHE A 78 3.259 2.607 -26.116 1.00 0.00 C ATOM 1213 C PHE A 78 3.691 1.508 -25.142 1.00 0.00 C ATOM 1214 O PHE A 78 4.439 1.767 -24.201 1.00 0.00 O ATOM 1215 CB PHE A 78 2.894 3.861 -25.321 1.00 0.00 C ATOM 1216 CG PHE A 78 3.791 5.066 -25.614 1.00 0.00 C ATOM 1217 CD1 PHE A 78 3.620 5.779 -26.760 1.00 0.00 C ATOM 1218 CD2 PHE A 78 4.759 5.425 -24.729 1.00 0.00 C ATOM 1219 CE1 PHE A 78 4.453 6.897 -27.031 1.00 0.00 C ATOM 1220 CE2 PHE A 78 5.591 6.542 -25.000 1.00 0.00 C ATOM 1221 CZ PHE A 78 5.421 7.255 -26.146 1.00 0.00 C ATOM 0 H PHE A 78 1.224 2.136 -26.290 1.00 0.00 H new ATOM 0 HA PHE A 78 4.082 2.789 -26.807 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.860 4.129 -25.539 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.946 3.632 -24.257 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.851 5.495 -27.463 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.895 4.859 -23.819 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.317 7.463 -27.941 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.359 6.826 -24.296 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.055 8.105 -26.353 1.00 0.00 H new ATOM 1231 N ILE A 79 3.204 0.304 -25.404 1.00 0.00 N ATOM 1232 CA ILE A 79 3.530 -0.835 -24.561 1.00 0.00 C ATOM 1233 C ILE A 79 5.048 -1.030 -24.543 1.00 0.00 C ATOM 1234 O ILE A 79 5.654 -1.314 -25.575 1.00 0.00 O ATOM 1235 CB ILE A 79 2.756 -2.075 -25.013 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.558 -2.337 -24.098 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.678 -3.291 -25.114 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.030 -3.762 -24.281 1.00 0.00 C ATOM 0 H ILE A 79 2.586 0.092 -26.188 1.00 0.00 H new ATOM 0 HA ILE A 79 3.218 -0.651 -23.533 1.00 0.00 H new ATOM 0 HB ILE A 79 2.363 -1.887 -26.012 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.849 -2.184 -23.059 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.766 -1.621 -24.316 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.102 -4.158 -25.437 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.468 -3.090 -25.838 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.122 -3.493 -24.139 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.179 -3.922 -23.619 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.717 -3.904 -25.315 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.817 -4.476 -24.039 1.00 0.00 H new ATOM 1250 N ILE A 80 5.618 -0.872 -23.357 1.00 0.00 N ATOM 1251 CA ILE A 80 7.053 -1.027 -23.190 1.00 0.00 C ATOM 1252 C ILE A 80 7.395 -2.517 -23.129 1.00 0.00 C ATOM 1253 O ILE A 80 8.353 -2.965 -23.760 1.00 0.00 O ATOM 1254 CB ILE A 80 7.541 -0.234 -21.976 1.00 0.00 C ATOM 1255 CG1 ILE A 80 6.369 0.171 -21.080 1.00 0.00 C ATOM 1256 CG2 ILE A 80 8.374 0.973 -22.409 1.00 0.00 C ATOM 1257 CD1 ILE A 80 6.866 0.839 -19.796 1.00 0.00 C ATOM 0 H ILE A 80 5.112 -0.638 -22.503 1.00 0.00 H new ATOM 0 HA ILE A 80 7.584 -0.611 -24.046 1.00 0.00 H new ATOM 0 HB ILE A 80 8.191 -0.879 -21.385 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.713 0.854 -21.620 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.776 -0.709 -20.830 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.708 1.519 -21.527 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.241 0.633 -22.975 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.767 1.629 -23.034 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.013 1.117 -19.177 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.502 0.144 -19.247 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.438 1.732 -20.048 1.00 0.00 H new ATOM 1269 N GLY A 81 6.596 -3.246 -22.365 1.00 0.00 N ATOM 1270 CA GLY A 81 6.803 -4.675 -22.214 1.00 0.00 C ATOM 1271 C GLY A 81 5.692 -5.304 -21.369 1.00 0.00 C ATOM 1272 O GLY A 81 4.517 -4.988 -21.547 1.00 0.00 O ATOM 0 H GLY A 81 5.803 -2.873 -21.843 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.830 -5.148 -23.196 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.770 -4.859 -21.745 1.00 0.00 H new ATOM 1276 N GLU A 82 6.103 -6.184 -20.468 1.00 0.00 N ATOM 1277 CA GLU A 82 5.158 -6.859 -19.597 1.00 0.00 C ATOM 1278 C GLU A 82 5.825 -7.220 -18.267 1.00 0.00 C ATOM 1279 O GLU A 82 7.045 -7.138 -18.138 1.00 0.00 O ATOM 1280 CB GLU A 82 4.578 -8.103 -20.275 1.00 0.00 C ATOM 1281 CG GLU A 82 4.562 -7.941 -21.795 1.00 0.00 C ATOM 1282 CD GLU A 82 3.913 -9.152 -22.469 1.00 0.00 C ATOM 1283 OE1 GLU A 82 4.205 -10.278 -22.014 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.139 -8.921 -23.422 1.00 0.00 O ATOM 0 H GLU A 82 7.078 -6.445 -20.323 1.00 0.00 H new ATOM 0 HA GLU A 82 4.332 -6.178 -19.394 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.170 -8.978 -20.005 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.565 -8.279 -19.914 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.016 -7.036 -22.062 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.581 -7.819 -22.162 1.00 0.00 H new ATOM 1291 N LEU A 83 4.994 -7.613 -17.312 1.00 0.00 N ATOM 1292 CA LEU A 83 5.489 -7.986 -15.998 1.00 0.00 C ATOM 1293 C LEU A 83 6.021 -9.421 -16.046 1.00 0.00 C ATOM 1294 O LEU A 83 5.271 -10.354 -16.332 1.00 0.00 O ATOM 1295 CB LEU A 83 4.410 -7.766 -14.937 1.00 0.00 C ATOM 1296 CG LEU A 83 4.907 -7.576 -13.502 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.347 -8.073 -13.352 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.753 -6.121 -13.056 1.00 0.00 C ATOM 0 H LEU A 83 3.982 -7.681 -17.422 1.00 0.00 H new ATOM 0 HA LEU A 83 6.323 -7.346 -15.709 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.827 -6.889 -15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.732 -8.619 -14.955 1.00 0.00 H new ATOM 0 HG LEU A 83 4.286 -8.181 -12.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.677 -7.927 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.394 -9.133 -13.601 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.997 -7.513 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.114 -6.014 -12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.333 -5.475 -13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.702 -5.836 -13.102 1.00 0.00 H new ATOM 1310 N HIS A 84 7.307 -9.551 -15.761 1.00 0.00 N ATOM 1311 CA HIS A 84 7.948 -10.856 -15.768 1.00 0.00 C ATOM 1312 C HIS A 84 7.421 -11.692 -14.601 1.00 0.00 C ATOM 1313 O HIS A 84 6.522 -11.260 -13.879 1.00 0.00 O ATOM 1314 CB HIS A 84 9.471 -10.714 -15.756 1.00 0.00 C ATOM 1315 CG HIS A 84 10.163 -11.436 -16.887 1.00 0.00 C ATOM 1316 ND1 HIS A 84 9.545 -11.701 -18.098 1.00 0.00 N ATOM 1317 CD2 HIS A 84 11.426 -11.943 -16.979 1.00 0.00 C ATOM 1318 CE1 HIS A 84 10.407 -12.341 -18.875 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.571 -12.491 -18.181 1.00 0.00 N ATOM 0 H HIS A 84 7.924 -8.774 -15.523 1.00 0.00 H new ATOM 0 HA HIS A 84 7.698 -11.383 -16.689 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.728 -9.656 -15.803 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.854 -11.093 -14.808 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.180 -11.905 -16.207 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.220 -12.684 -19.882 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.414 -12.949 -18.527 1.00 0.00 H new ATOM 1328 N PRO A 85 8.018 -12.904 -14.446 1.00 0.00 N ATOM 1329 CA PRO A 85 7.619 -13.804 -13.378 1.00 0.00 C ATOM 1330 C PRO A 85 8.158 -13.328 -12.028 1.00 0.00 C ATOM 1331 O PRO A 85 8.087 -14.052 -11.035 1.00 0.00 O ATOM 1332 CB PRO A 85 8.159 -15.164 -13.787 1.00 0.00 C ATOM 1333 CG PRO A 85 9.233 -14.889 -14.827 1.00 0.00 C ATOM 1334 CD PRO A 85 9.085 -13.446 -15.281 1.00 0.00 C ATOM 0 HA PRO A 85 6.538 -13.843 -13.244 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.572 -15.694 -12.929 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.368 -15.791 -14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.224 -15.057 -14.405 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.128 -15.568 -15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.014 -12.891 -15.147 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.829 -13.388 -16.339 1.00 0.00 H new ATOM 1342 N ASP A 86 8.685 -12.113 -12.032 1.00 0.00 N ATOM 1343 CA ASP A 86 9.237 -11.531 -10.821 1.00 0.00 C ATOM 1344 C ASP A 86 8.093 -11.045 -9.928 1.00 0.00 C ATOM 1345 O ASP A 86 8.244 -10.966 -8.710 1.00 0.00 O ATOM 1346 CB ASP A 86 10.127 -10.328 -11.144 1.00 0.00 C ATOM 1347 CG ASP A 86 9.959 -9.130 -10.208 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.608 -9.148 -9.140 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.185 -8.222 -10.581 1.00 0.00 O ATOM 0 H ASP A 86 8.741 -11.515 -12.856 1.00 0.00 H new ATOM 0 HA ASP A 86 9.831 -12.295 -10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.169 -10.648 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.919 -10.005 -12.164 1.00 0.00 H new ATOM 1354 N ASP A 87 6.975 -10.735 -10.568 1.00 0.00 N ATOM 1355 CA ASP A 87 5.807 -10.260 -9.845 1.00 0.00 C ATOM 1356 C ASP A 87 4.669 -10.004 -10.835 1.00 0.00 C ATOM 1357 O ASP A 87 4.073 -8.929 -10.837 1.00 0.00 O ATOM 1358 CB ASP A 87 6.106 -8.948 -9.118 1.00 0.00 C ATOM 1359 CG ASP A 87 6.746 -9.104 -7.737 1.00 0.00 C ATOM 1360 OD1 ASP A 87 6.022 -9.555 -6.824 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.945 -8.769 -7.626 1.00 0.00 O ATOM 0 H ASP A 87 6.853 -10.803 -11.578 1.00 0.00 H new ATOM 0 HA ASP A 87 5.529 -11.021 -9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.767 -8.347 -9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.176 -8.390 -9.010 1.00 0.00 H new ATOM 1366 N ARG A 88 4.404 -11.011 -11.655 1.00 0.00 N ATOM 1367 CA ARG A 88 3.348 -10.908 -12.649 1.00 0.00 C ATOM 1368 C ARG A 88 2.051 -11.514 -12.111 1.00 0.00 C ATOM 1369 O ARG A 88 0.997 -10.883 -12.167 1.00 0.00 O ATOM 1370 CB ARG A 88 3.740 -11.624 -13.943 1.00 0.00 C ATOM 1371 CG ARG A 88 4.056 -13.097 -13.681 1.00 0.00 C ATOM 1372 CD ARG A 88 4.689 -13.751 -14.911 1.00 0.00 C ATOM 1373 NE ARG A 88 4.641 -15.225 -14.783 1.00 0.00 N ATOM 1374 CZ ARG A 88 3.549 -15.963 -15.017 1.00 0.00 C ATOM 1375 NH1 ARG A 88 2.407 -15.372 -15.393 1.00 0.00 N ATOM 1376 NH2 ARG A 88 3.598 -17.296 -14.876 1.00 0.00 N ATOM 0 H ARG A 88 4.902 -11.901 -11.652 1.00 0.00 H new ATOM 0 HA ARG A 88 3.196 -9.850 -12.864 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.928 -11.546 -14.666 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.608 -11.135 -14.384 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.733 -13.181 -12.831 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.142 -13.627 -13.414 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.160 -13.439 -15.812 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.722 -13.421 -15.017 1.00 0.00 H new ATOM 0 HE ARG A 88 5.493 -15.708 -14.499 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.369 -14.358 -15.501 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.576 -15.936 -15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.467 -17.747 -14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.766 -17.859 -15.054 1.00 0.00 H new ATOM 1390 N SER A 89 2.171 -12.732 -11.601 1.00 0.00 N ATOM 1391 CA SER A 89 1.021 -13.430 -11.053 1.00 0.00 C ATOM 1392 C SER A 89 0.605 -12.792 -9.727 1.00 0.00 C ATOM 1393 O SER A 89 -0.442 -13.125 -9.175 1.00 0.00 O ATOM 1394 CB SER A 89 1.323 -14.916 -10.854 1.00 0.00 C ATOM 1395 OG SER A 89 0.183 -15.732 -11.110 1.00 0.00 O ATOM 0 H SER A 89 3.047 -13.252 -11.556 1.00 0.00 H new ATOM 0 HA SER A 89 0.199 -13.345 -11.764 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.137 -15.212 -11.516 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.666 -15.083 -9.833 1.00 0.00 H new ATOM 0 HG SER A 89 0.417 -16.674 -10.973 1.00 0.00 H new ATOM 1401 N LYS A 90 1.446 -11.884 -9.254 1.00 0.00 N ATOM 1402 CA LYS A 90 1.179 -11.196 -8.002 1.00 0.00 C ATOM 1403 C LYS A 90 0.299 -9.975 -8.275 1.00 0.00 C ATOM 1404 O LYS A 90 -0.208 -9.351 -7.344 1.00 0.00 O ATOM 1405 CB LYS A 90 2.488 -10.863 -7.283 1.00 0.00 C ATOM 1406 CG LYS A 90 2.627 -11.672 -5.992 1.00 0.00 C ATOM 1407 CD LYS A 90 3.245 -13.043 -6.270 1.00 0.00 C ATOM 1408 CE LYS A 90 3.067 -13.977 -5.070 1.00 0.00 C ATOM 1409 NZ LYS A 90 2.374 -15.219 -5.478 1.00 0.00 N ATOM 0 H LYS A 90 2.313 -11.609 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 90 0.625 -11.843 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.332 -11.073 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.520 -9.798 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.248 -11.126 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.648 -11.797 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.779 -13.484 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.306 -12.929 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.040 -14.220 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.494 -13.473 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.261 -15.841 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.438 -14.983 -5.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.935 -15.707 -6.205 1.00 0.00 H new ATOM 1423 N ILE A 91 0.143 -9.672 -9.555 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.669 -8.537 -9.962 1.00 0.00 C ATOM 1425 C ILE A 91 -1.721 -9.002 -10.970 1.00 0.00 C ATOM 1426 O ILE A 91 -2.859 -8.538 -10.943 1.00 0.00 O ATOM 1427 CB ILE A 91 0.219 -7.402 -10.478 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.551 -7.597 -11.959 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.479 -7.258 -9.623 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.429 -6.456 -12.478 1.00 0.00 C ATOM 0 H ILE A 91 0.565 -10.192 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.207 -8.127 -9.107 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.336 -6.468 -10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.065 -8.548 -12.098 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.371 -7.644 -12.539 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.092 -6.445 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.197 -7.039 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.048 -8.187 -9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.651 -6.618 -13.533 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.903 -5.509 -12.359 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.360 -6.427 -11.912 1.00 0.00 H new ATOM 1442 N THR A 92 -1.302 -9.914 -11.836 1.00 0.00 N ATOM 1443 CA THR A 92 -2.194 -10.447 -12.852 1.00 0.00 C ATOM 1444 C THR A 92 -3.612 -10.588 -12.295 1.00 0.00 C ATOM 1445 O THR A 92 -4.588 -10.449 -13.030 1.00 0.00 O ATOM 1446 CB THR A 92 -1.604 -11.766 -13.352 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.239 -11.975 -14.611 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.048 -12.964 -12.508 1.00 0.00 C ATOM 0 H THR A 92 -0.357 -10.297 -11.855 1.00 0.00 H new ATOM 0 HA THR A 92 -2.278 -9.769 -13.701 1.00 0.00 H new ATOM 0 HB THR A 92 -0.516 -11.702 -13.347 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.699 -11.154 -14.886 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.601 -13.875 -12.906 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.725 -12.822 -11.477 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.134 -13.049 -12.540 1.00 0.00 H new ATOM 1456 N LYS A 93 -3.681 -10.861 -11.000 1.00 0.00 N ATOM 1457 CA LYS A 93 -4.963 -11.022 -10.336 1.00 0.00 C ATOM 1458 C LYS A 93 -4.738 -11.167 -8.830 1.00 0.00 C ATOM 1459 O LYS A 93 -4.229 -12.187 -8.370 1.00 0.00 O ATOM 1460 CB LYS A 93 -5.745 -12.182 -10.955 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.248 -12.014 -10.726 1.00 0.00 C ATOM 1462 CD LYS A 93 -7.981 -13.348 -10.886 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.492 -13.166 -10.738 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.070 -14.260 -9.926 1.00 0.00 N ATOM 0 H LYS A 93 -2.869 -10.975 -10.393 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.581 -10.137 -10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.540 -12.234 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.410 -13.124 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.425 -11.616 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.648 -11.288 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.757 -13.775 -11.864 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.622 -14.056 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.704 -12.206 -10.268 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.960 -13.150 -11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.097 -14.120 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.884 -15.172 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.636 -14.257 -8.981 1.00 0.00 H new ATOM 1478 N PRO A 94 -5.139 -10.103 -8.084 1.00 0.00 N ATOM 1479 CA PRO A 94 -4.987 -10.102 -6.638 1.00 0.00 C ATOM 1480 C PRO A 94 -6.030 -11.004 -5.976 1.00 0.00 C ATOM 1481 O PRO A 94 -6.632 -11.851 -6.636 1.00 0.00 O ATOM 1482 CB PRO A 94 -5.117 -8.645 -6.230 1.00 0.00 C ATOM 1483 CG PRO A 94 -5.798 -7.944 -7.395 1.00 0.00 C ATOM 1484 CD PRO A 94 -5.747 -8.878 -8.594 1.00 0.00 C ATOM 0 HA PRO A 94 -4.028 -10.508 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.705 -8.546 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.139 -8.207 -6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.830 -7.701 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.295 -7.004 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.744 -9.067 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.156 -8.450 -9.404 1.00 0.00 H new ATOM 1492 N SER A 95 -6.213 -10.792 -4.681 1.00 0.00 N ATOM 1493 CA SER A 95 -7.172 -11.576 -3.922 1.00 0.00 C ATOM 1494 C SER A 95 -7.902 -10.680 -2.918 1.00 0.00 C ATOM 1495 O SER A 95 -7.683 -9.471 -2.887 1.00 0.00 O ATOM 1496 CB SER A 95 -6.488 -12.737 -3.200 1.00 0.00 C ATOM 1497 OG SER A 95 -5.487 -12.285 -2.292 1.00 0.00 O ATOM 0 H SER A 95 -5.713 -10.088 -4.138 1.00 0.00 H new ATOM 0 HA SER A 95 -7.897 -11.996 -4.619 1.00 0.00 H new ATOM 0 HB2 SER A 95 -7.235 -13.317 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.037 -13.405 -3.934 1.00 0.00 H new ATOM 0 HG SER A 95 -5.075 -13.056 -1.849 1.00 0.00 H new ATOM 1503 N GLU A 96 -8.753 -11.310 -2.122 1.00 0.00 N ATOM 1504 CA GLU A 96 -9.515 -10.586 -1.118 1.00 0.00 C ATOM 1505 C GLU A 96 -9.961 -11.533 -0.004 1.00 0.00 C ATOM 1506 O GLU A 96 -9.804 -12.749 -0.118 1.00 0.00 O ATOM 1507 CB GLU A 96 -10.714 -9.877 -1.748 1.00 0.00 C ATOM 1508 CG GLU A 96 -11.719 -10.888 -2.305 1.00 0.00 C ATOM 1509 CD GLU A 96 -12.897 -10.178 -2.976 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -13.282 -9.106 -2.459 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -13.386 -10.723 -3.988 1.00 0.00 O ATOM 0 H GLU A 96 -8.932 -12.314 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.871 -9.823 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.201 -9.247 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.373 -9.219 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.224 -11.539 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.085 -11.524 -1.499 1.00 0.00 H new ATOM 1518 N SER A 97 -10.508 -10.944 1.048 1.00 0.00 N ATOM 1519 CA SER A 97 -10.979 -11.720 2.183 1.00 0.00 C ATOM 1520 C SER A 97 -11.619 -10.797 3.220 1.00 0.00 C ATOM 1521 O SER A 97 -11.453 -9.579 3.160 1.00 0.00 O ATOM 1522 CB SER A 97 -9.836 -12.517 2.815 1.00 0.00 C ATOM 1523 OG SER A 97 -10.317 -13.595 3.614 1.00 0.00 O ATOM 0 H SER A 97 -10.636 -9.936 1.139 1.00 0.00 H new ATOM 0 HA SER A 97 -11.728 -12.428 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.189 -12.908 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.227 -11.854 3.429 1.00 0.00 H new ATOM 0 HG SER A 97 -9.558 -14.081 3.999 1.00 0.00 H new ATOM 1529 N ILE A 98 -12.338 -11.411 4.148 1.00 0.00 N ATOM 1530 CA ILE A 98 -13.004 -10.658 5.198 1.00 0.00 C ATOM 1531 C ILE A 98 -13.441 -11.617 6.307 1.00 0.00 C ATOM 1532 O ILE A 98 -14.080 -12.634 6.039 1.00 0.00 O ATOM 1533 CB ILE A 98 -14.150 -9.829 4.617 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -14.760 -8.913 5.681 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -15.201 -10.726 3.962 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -14.735 -7.452 5.228 1.00 0.00 C ATOM 0 H ILE A 98 -12.474 -12.421 4.195 1.00 0.00 H new ATOM 0 HA ILE A 98 -12.317 -9.941 5.647 1.00 0.00 H new ATOM 0 HB ILE A 98 -13.743 -9.188 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -15.787 -9.217 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.208 -9.017 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.004 -10.110 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.741 -11.297 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.609 -11.411 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.174 -6.823 6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.705 -7.143 5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -15.308 -7.347 4.307 1.00 0.00 H new ATOM 1548 N ILE A 99 -13.080 -11.259 7.531 1.00 0.00 N ATOM 1549 CA ILE A 99 -13.427 -12.074 8.683 1.00 0.00 C ATOM 1550 C ILE A 99 -13.964 -11.173 9.797 1.00 0.00 C ATOM 1551 O ILE A 99 -13.390 -10.123 10.081 1.00 0.00 O ATOM 1552 CB ILE A 99 -12.236 -12.936 9.108 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -11.940 -14.015 8.066 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -12.457 -13.527 10.501 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -10.479 -14.464 8.139 1.00 0.00 C ATOM 0 H ILE A 99 -12.551 -10.415 7.750 1.00 0.00 H new ATOM 0 HA ILE A 99 -14.222 -12.774 8.429 1.00 0.00 H new ATOM 0 HB ILE A 99 -11.355 -12.297 9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.595 -14.871 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -12.157 -13.632 7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.596 -14.135 10.779 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.580 -12.720 11.223 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.353 -14.148 10.495 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.296 -15.232 7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.826 -13.611 7.953 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.272 -14.870 9.129 1.00 0.00 H new ATOM 1567 N THR A 100 -15.058 -11.617 10.397 1.00 0.00 N ATOM 1568 CA THR A 100 -15.679 -10.864 11.474 1.00 0.00 C ATOM 1569 C THR A 100 -16.076 -11.800 12.618 1.00 0.00 C ATOM 1570 O THR A 100 -16.720 -12.822 12.392 1.00 0.00 O ATOM 1571 CB THR A 100 -16.857 -10.084 10.889 1.00 0.00 C ATOM 1572 OG1 THR A 100 -16.249 -9.151 10.000 1.00 0.00 O ATOM 1573 CG2 THR A 100 -17.555 -9.208 11.930 1.00 0.00 C ATOM 0 H THR A 100 -15.531 -12.489 10.158 1.00 0.00 H new ATOM 0 HA THR A 100 -14.982 -10.147 11.909 1.00 0.00 H new ATOM 0 HB THR A 100 -17.577 -10.782 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.943 -8.604 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 100 -18.383 -8.676 11.462 1.00 0.00 H new ATOM 0 HG22 THR A 100 -17.936 -9.835 12.737 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.844 -8.488 12.335 1.00 0.00 H new ATOM 1581 N THR A 101 -15.678 -11.413 13.821 1.00 0.00 N ATOM 1582 CA THR A 101 -15.985 -12.204 15.000 1.00 0.00 C ATOM 1583 C THR A 101 -16.272 -11.292 16.195 1.00 0.00 C ATOM 1584 O THR A 101 -15.727 -10.193 16.286 1.00 0.00 O ATOM 1585 CB THR A 101 -14.823 -13.169 15.239 1.00 0.00 C ATOM 1586 OG1 THR A 101 -15.352 -14.136 16.143 1.00 0.00 O ATOM 1587 CG2 THR A 101 -13.674 -12.523 16.016 1.00 0.00 C ATOM 0 H THR A 101 -15.146 -10.562 14.004 1.00 0.00 H new ATOM 0 HA THR A 101 -16.891 -12.793 14.855 1.00 0.00 H new ATOM 0 HB THR A 101 -14.453 -13.534 14.281 1.00 0.00 H new ATOM 0 HG1 THR A 101 -14.663 -14.802 16.350 1.00 0.00 H new ATOM 0 HG21 THR A 101 -12.876 -13.252 16.158 1.00 0.00 H new ATOM 0 HG22 THR A 101 -13.291 -11.670 15.457 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.036 -12.187 16.988 1.00 0.00 H new ATOM 1595 N ILE A 102 -17.127 -11.781 17.081 1.00 0.00 N ATOM 1596 CA ILE A 102 -17.493 -11.025 18.265 1.00 0.00 C ATOM 1597 C ILE A 102 -16.933 -11.724 19.506 1.00 0.00 C ATOM 1598 O ILE A 102 -16.735 -12.936 19.503 1.00 0.00 O ATOM 1599 CB ILE A 102 -19.006 -10.803 18.315 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -19.340 -9.402 18.828 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -19.692 -11.894 19.140 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -20.295 -8.681 17.875 1.00 0.00 C ATOM 0 H ILE A 102 -17.577 -12.693 17.002 1.00 0.00 H new ATOM 0 HA ILE A 102 -17.050 -10.030 18.232 1.00 0.00 H new ATOM 0 HB ILE A 102 -19.395 -10.873 17.299 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -19.792 -9.472 19.817 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -18.423 -8.823 18.937 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.767 -11.713 19.160 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -19.496 -12.867 18.690 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -19.303 -11.879 20.158 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -20.516 -7.687 18.264 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -19.830 -8.591 16.893 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -21.220 -9.250 17.788 1.00 0.00 H new ATOM 1614 N ASP A 103 -16.690 -10.926 20.536 1.00 0.00 N ATOM 1615 CA ASP A 103 -16.156 -11.454 21.781 1.00 0.00 C ATOM 1616 C ASP A 103 -17.050 -11.012 22.942 1.00 0.00 C ATOM 1617 O ASP A 103 -18.008 -10.267 22.743 1.00 0.00 O ATOM 1618 CB ASP A 103 -14.745 -10.924 22.042 1.00 0.00 C ATOM 1619 CG ASP A 103 -14.533 -9.449 21.700 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -14.276 -9.175 20.507 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -14.633 -8.628 22.637 1.00 0.00 O ATOM 0 H ASP A 103 -16.853 -9.919 20.534 1.00 0.00 H new ATOM 0 HA ASP A 103 -16.124 -12.541 21.702 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -14.506 -11.075 23.095 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -14.037 -11.520 21.466 1.00 0.00 H new ATOM 1626 N SER A 104 -16.704 -11.490 24.128 1.00 0.00 N ATOM 1627 CA SER A 104 -17.463 -11.153 25.321 1.00 0.00 C ATOM 1628 C SER A 104 -16.633 -10.242 26.228 1.00 0.00 C ATOM 1629 O SER A 104 -15.763 -9.514 25.754 1.00 0.00 O ATOM 1630 CB SER A 104 -17.886 -12.413 26.079 1.00 0.00 C ATOM 1631 OG SER A 104 -19.075 -12.985 25.542 1.00 0.00 O ATOM 0 H SER A 104 -15.908 -12.108 24.289 1.00 0.00 H new ATOM 0 HA SER A 104 -18.366 -10.626 25.014 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.081 -13.147 26.040 1.00 0.00 H new ATOM 0 HB3 SER A 104 -18.044 -12.168 27.129 1.00 0.00 H new ATOM 0 HG SER A 104 -19.311 -13.788 26.052 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -7.881 5.307 -17.685 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.503 7.079 -18.894 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.646 4.948 -20.876 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.364 3.344 -16.470 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.974 5.829 -14.488 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.476 5.887 -19.493 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.630 6.531 -19.827 1.00 0.00 C HETATM 1645 C2A HEM A 105 -9.765 6.616 -21.294 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.639 6.083 -21.864 1.00 0.00 C HETATM 1647 C4A HEM A 105 -7.834 5.642 -20.748 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.298 5.965 -23.348 1.00 0.00 C HETATM 1649 CAA HEM A 105 -10.976 7.154 -22.031 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.167 6.218 -21.906 1.00 0.00 C HETATM 1651 CGA HEM A 105 -11.761 4.758 -21.882 1.00 0.00 C HETATM 1652 O1A HEM A 105 -10.751 4.409 -22.521 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.469 3.940 -21.265 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.334 4.382 -18.483 1.00 0.00 N HETATM 1655 C1B HEM A 105 -5.945 4.346 -19.834 1.00 0.00 C HETATM 1656 C2B HEM A 105 -4.739 3.552 -20.013 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.421 3.047 -18.767 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.388 3.594 -17.844 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.060 3.256 -21.350 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.528 2.012 -18.404 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.213 1.812 -18.762 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.293 4.711 -15.877 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.243 3.856 -15.561 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.161 3.584 -14.110 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.191 4.293 -13.560 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.864 5.010 -14.650 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.123 2.645 -13.447 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.561 4.359 -12.208 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.618 4.474 -11.200 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.444 6.229 -16.850 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.726 6.395 -15.489 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.868 7.248 -15.290 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.258 7.632 -16.518 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.416 6.957 -17.500 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.539 7.610 -13.972 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.306 8.667 -16.841 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.655 8.011 -17.015 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.420 8.589 -18.181 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.794 8.808 -19.237 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.648 8.807 -18.049 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.217 5.870 -23.926 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -7.675 5.085 -23.509 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -7.758 6.856 -23.669 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -4.809 3.236 -22.142 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.561 2.288 -21.298 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.325 4.032 -21.565 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.849 1.854 -14.146 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -5.554 2.202 -12.549 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -4.234 3.216 -13.179 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.421 6.788 -13.266 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.600 7.793 -14.142 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.077 8.508 -13.563 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.670 0.946 -18.382 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -1.715 2.519 -19.425 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.937 4.523 -10.159 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.557 4.516 -11.448 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -12.847 6.388 -22.740 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.716 6.454 -20.994 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -10.730 7.293 -23.084 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.239 8.134 -21.633 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.238 8.134 -16.102 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.520 6.940 -17.165 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.033 9.199 -17.752 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.354 9.407 -16.042 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.330 7.656 -19.281 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.226 4.865 -21.867 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.587 2.693 -16.097 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.276 6.042 -13.473 1.00 0.00 H new HETATM 0 HAB HEM A 105 -3.945 1.256 -17.738 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.618 4.319 -11.944 1.00 0.00 H new