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= -19.4! C(o=-32!,f=-33!) USER MOD Set 1.2: A 105 HEM CMC :methyl 150:sc= -12.9! (180deg=-7.09!) USER MOD Set 2.1: A 75 SER OG : rot 91:sc= -1.95! USER MOD Set 2.2: A 105 HEM CMB :methyl 150:sc= -0.0678 (180deg=-0.0678) USER MOD Set 3.1: A 30 HIS : no HD1:sc= 0.0515 X(o=0.1,f=0) USER MOD Set 3.2: A 32 LYS NZ :NH3+ -175:sc= 0.0487 (180deg=0) USER MOD Set 4.1: A 25 THR OG1 : rot -63:sc= 0.853 USER MOD Set 4.2: A 37 THR OG1 : rot -16:sc= -0.131 USER MOD Single : A 1 ALA N :NH3+ 179:sc= 0 (180deg=-2.71e-05) 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= -0.658 USER MOD Single : A 17 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -2.4 K(o=-2.4,f=-3.2) USER MOD Single : A 20 ASN :FLIP amide:sc= -6.15! C(o=-10!,f=-6.2!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 22 SER OG : rot -15:sc= 0.6 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 37:sc= 0.674 USER MOD Single : A 31 TYR OH : rot -38:sc= -1.91 USER MOD Single : A 34 TYR OH : rot 27:sc= -1.45 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -1:sc= 1.23 USER MOD Single : A 61 ASN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 68 SER OG : rot -96:sc= -0.0408 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 -60:sc= 0.482 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -14.2! C(o=-16!,f=-14!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.27 (180deg=-1.27) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 34.860 -2.315 -28.959 1.00 0.00 N ATOM 2 CA ALA A 1 34.878 -2.782 -30.334 1.00 0.00 C ATOM 3 C ALA A 1 33.645 -3.651 -30.590 1.00 0.00 C ATOM 4 O ALA A 1 33.764 -4.789 -31.039 1.00 0.00 O ATOM 5 CB ALA A 1 36.184 -3.533 -30.601 1.00 0.00 C ATOM 0 H1 ALA A 1 35.706 -1.738 -28.777 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.008 -1.741 -28.799 1.00 0.00 H new ATOM 0 H3 ALA A 1 34.853 -3.132 -28.315 1.00 0.00 H new ATOM 0 HA ALA A 1 34.838 -1.940 -31.025 1.00 0.00 H new ATOM 0 HB1 ALA A 1 36.198 -3.884 -31.633 1.00 0.00 H new ATOM 0 HB2 ALA A 1 37.029 -2.865 -30.434 1.00 0.00 H new ATOM 0 HB3 ALA A 1 36.257 -4.386 -29.927 1.00 0.00 H new ATOM 11 N GLU A 2 32.486 -3.080 -30.292 1.00 0.00 N ATOM 12 CA GLU A 2 31.232 -3.787 -30.483 1.00 0.00 C ATOM 13 C GLU A 2 30.051 -2.873 -30.151 1.00 0.00 C ATOM 14 O GLU A 2 30.242 -1.711 -29.797 1.00 0.00 O ATOM 15 CB GLU A 2 31.189 -5.065 -29.643 1.00 0.00 C ATOM 16 CG GLU A 2 31.000 -6.298 -30.530 1.00 0.00 C ATOM 17 CD GLU A 2 30.410 -7.462 -29.731 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.183 -8.070 -28.960 1.00 0.00 O ATOM 19 OE2 GLU A 2 29.200 -7.718 -29.912 1.00 0.00 O ATOM 0 H GLU A 2 32.390 -2.135 -29.920 1.00 0.00 H new ATOM 0 HA GLU A 2 31.158 -4.078 -31.531 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.113 -5.161 -29.073 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.374 -5.003 -28.922 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.342 -6.053 -31.364 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.958 -6.594 -30.957 1.00 0.00 H new ATOM 26 N GLU A 3 28.858 -3.434 -30.276 1.00 0.00 N ATOM 27 CA GLU A 3 27.645 -2.683 -29.994 1.00 0.00 C ATOM 28 C GLU A 3 26.465 -3.636 -29.795 1.00 0.00 C ATOM 29 O GLU A 3 26.513 -4.787 -30.226 1.00 0.00 O ATOM 30 CB GLU A 3 27.353 -1.674 -31.106 1.00 0.00 C ATOM 31 CG GLU A 3 27.556 -0.239 -30.613 1.00 0.00 C ATOM 32 CD GLU A 3 27.514 0.753 -31.776 1.00 0.00 C ATOM 33 OE1 GLU A 3 26.577 0.627 -32.595 1.00 0.00 O ATOM 34 OE2 GLU A 3 28.417 1.614 -31.823 1.00 0.00 O ATOM 0 H GLU A 3 28.704 -4.399 -30.568 1.00 0.00 H new ATOM 0 HA GLU A 3 27.795 -2.123 -29.071 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.007 -1.866 -31.957 1.00 0.00 H new ATOM 0 HB3 GLU A 3 26.329 -1.800 -31.457 1.00 0.00 H new ATOM 0 HG2 GLU A 3 26.782 0.013 -29.888 1.00 0.00 H new ATOM 0 HG3 GLU A 3 28.513 -0.160 -30.098 1.00 0.00 H new ATOM 41 N SER A 4 25.433 -3.122 -29.141 1.00 0.00 N ATOM 42 CA SER A 4 24.244 -3.914 -28.880 1.00 0.00 C ATOM 43 C SER A 4 23.148 -3.028 -28.281 1.00 0.00 C ATOM 44 O SER A 4 23.392 -1.868 -27.954 1.00 0.00 O ATOM 45 CB SER A 4 24.553 -5.082 -27.942 1.00 0.00 C ATOM 46 OG SER A 4 24.565 -4.680 -26.575 1.00 0.00 O ATOM 0 H SER A 4 25.396 -2.167 -28.784 1.00 0.00 H new ATOM 0 HA SER A 4 23.894 -4.327 -29.826 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.809 -5.866 -28.083 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.521 -5.510 -28.203 1.00 0.00 H new ATOM 0 HG SER A 4 24.764 -5.454 -26.008 1.00 0.00 H new ATOM 52 N SER A 5 21.965 -3.610 -28.155 1.00 0.00 N ATOM 53 CA SER A 5 20.831 -2.889 -27.601 1.00 0.00 C ATOM 54 C SER A 5 19.590 -3.785 -27.602 1.00 0.00 C ATOM 55 O SER A 5 19.620 -4.892 -28.135 1.00 0.00 O ATOM 56 CB SER A 5 20.559 -1.604 -28.385 1.00 0.00 C ATOM 57 OG SER A 5 20.253 -0.509 -27.526 1.00 0.00 O ATOM 0 H SER A 5 21.767 -4.573 -28.427 1.00 0.00 H new ATOM 0 HA SER A 5 21.070 -2.612 -26.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.431 -1.357 -28.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.730 -1.768 -29.073 1.00 0.00 H new ATOM 0 HG SER A 5 20.087 0.293 -28.064 1.00 0.00 H new ATOM 63 N LYS A 6 18.529 -3.271 -26.997 1.00 0.00 N ATOM 64 CA LYS A 6 17.280 -4.011 -26.922 1.00 0.00 C ATOM 65 C LYS A 6 16.239 -3.169 -26.180 1.00 0.00 C ATOM 66 O LYS A 6 16.531 -2.056 -25.742 1.00 0.00 O ATOM 67 CB LYS A 6 17.511 -5.389 -26.301 1.00 0.00 C ATOM 68 CG LYS A 6 16.764 -6.473 -27.081 1.00 0.00 C ATOM 69 CD LYS A 6 16.327 -7.611 -26.158 1.00 0.00 C ATOM 70 CE LYS A 6 16.595 -8.974 -26.801 1.00 0.00 C ATOM 71 NZ LYS A 6 17.697 -9.670 -26.100 1.00 0.00 N ATOM 0 H LYS A 6 18.508 -2.352 -26.555 1.00 0.00 H new ATOM 0 HA LYS A 6 16.887 -4.199 -27.921 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.578 -5.613 -26.290 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.176 -5.386 -25.264 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.890 -6.039 -27.568 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.406 -6.866 -27.870 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.861 -7.541 -25.211 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.265 -7.514 -25.933 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.692 -9.583 -26.766 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.850 -8.843 -27.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.866 -10.593 -26.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.562 -9.095 -26.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.439 -9.812 -25.103 1.00 0.00 H new ATOM 85 N ALA A 7 15.045 -3.732 -26.062 1.00 0.00 N ATOM 86 CA ALA A 7 13.960 -3.049 -25.381 1.00 0.00 C ATOM 87 C ALA A 7 13.626 -3.792 -24.086 1.00 0.00 C ATOM 88 O ALA A 7 14.095 -4.909 -23.869 1.00 0.00 O ATOM 89 CB ALA A 7 12.755 -2.942 -26.319 1.00 0.00 C ATOM 0 H ALA A 7 14.806 -4.654 -26.427 1.00 0.00 H new ATOM 0 HA ALA A 7 14.255 -2.035 -25.112 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.940 -2.429 -25.808 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.036 -2.379 -27.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 12.430 -3.941 -26.609 1.00 0.00 H new ATOM 95 N VAL A 8 12.821 -3.143 -23.259 1.00 0.00 N ATOM 96 CA VAL A 8 12.420 -3.729 -21.990 1.00 0.00 C ATOM 97 C VAL A 8 11.956 -5.168 -22.223 1.00 0.00 C ATOM 98 O VAL A 8 12.703 -6.113 -21.972 1.00 0.00 O ATOM 99 CB VAL A 8 11.353 -2.858 -21.325 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.460 -2.188 -22.373 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.519 -3.672 -20.334 1.00 0.00 C ATOM 0 H VAL A 8 12.435 -2.217 -23.442 1.00 0.00 H new ATOM 0 HA VAL A 8 13.265 -3.766 -21.302 1.00 0.00 H new ATOM 0 HB VAL A 8 11.863 -2.072 -20.767 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.710 -1.575 -21.873 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.070 -1.559 -23.022 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.964 -2.953 -22.971 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.768 -3.028 -19.876 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.025 -4.489 -20.859 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.169 -4.079 -19.560 1.00 0.00 H new ATOM 111 N LYS A 9 10.726 -5.290 -22.701 1.00 0.00 N ATOM 112 CA LYS A 9 10.154 -6.599 -22.970 1.00 0.00 C ATOM 113 C LYS A 9 9.674 -7.219 -21.658 1.00 0.00 C ATOM 114 O LYS A 9 8.523 -7.638 -21.550 1.00 0.00 O ATOM 115 CB LYS A 9 11.150 -7.471 -23.736 1.00 0.00 C ATOM 116 CG LYS A 9 10.537 -7.992 -25.038 1.00 0.00 C ATOM 117 CD LYS A 9 11.575 -8.740 -25.873 1.00 0.00 C ATOM 118 CE LYS A 9 11.056 -9.002 -27.289 1.00 0.00 C ATOM 119 NZ LYS A 9 11.391 -10.377 -27.718 1.00 0.00 N ATOM 0 H LYS A 9 10.110 -4.504 -22.909 1.00 0.00 H new ATOM 0 HA LYS A 9 9.282 -6.509 -23.618 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.048 -6.894 -23.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.457 -8.311 -23.113 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.702 -8.655 -24.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.135 -7.158 -25.614 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.496 -8.158 -25.921 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.821 -9.686 -25.391 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.976 -8.859 -27.319 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.493 -8.282 -27.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.032 -10.538 -28.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.423 -10.502 -27.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.954 -11.060 -27.067 1.00 0.00 H new ATOM 133 N TYR A 10 10.581 -7.260 -20.693 1.00 0.00 N ATOM 134 CA TYR A 10 10.264 -7.824 -19.392 1.00 0.00 C ATOM 135 C TYR A 10 10.807 -6.943 -18.265 1.00 0.00 C ATOM 136 O TYR A 10 12.019 -6.795 -18.117 1.00 0.00 O ATOM 137 CB TYR A 10 10.962 -9.185 -19.339 1.00 0.00 C ATOM 138 CG TYR A 10 11.985 -9.402 -20.457 1.00 0.00 C ATOM 139 CD1 TYR A 10 13.254 -8.872 -20.344 1.00 0.00 C ATOM 140 CD2 TYR A 10 11.637 -10.128 -21.579 1.00 0.00 C ATOM 141 CE1 TYR A 10 14.216 -9.076 -21.395 1.00 0.00 C ATOM 142 CE2 TYR A 10 12.599 -10.333 -22.629 1.00 0.00 C ATOM 143 CZ TYR A 10 13.841 -9.797 -22.486 1.00 0.00 C ATOM 144 OH TYR A 10 14.750 -9.990 -23.479 1.00 0.00 O ATOM 0 H TYR A 10 11.535 -6.912 -20.786 1.00 0.00 H new ATOM 0 HA TYR A 10 9.185 -7.902 -19.262 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.463 -9.288 -18.377 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.209 -9.971 -19.392 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.526 -8.304 -19.467 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.643 -10.542 -21.668 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.212 -8.666 -21.319 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.341 -10.900 -23.511 1.00 0.00 H new ATOM 0 HH TYR A 10 14.345 -10.523 -24.194 1.00 0.00 H new ATOM 154 N TYR A 11 9.884 -6.380 -17.499 1.00 0.00 N ATOM 155 CA TYR A 11 10.255 -5.517 -16.391 1.00 0.00 C ATOM 156 C TYR A 11 9.757 -6.087 -15.061 1.00 0.00 C ATOM 157 O TYR A 11 8.907 -6.975 -15.042 1.00 0.00 O ATOM 158 CB TYR A 11 9.565 -4.177 -16.649 1.00 0.00 C ATOM 159 CG TYR A 11 10.494 -3.094 -17.198 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.664 -3.447 -17.840 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.161 -1.762 -17.055 1.00 0.00 C ATOM 162 CE1 TYR A 11 12.538 -2.427 -18.356 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.036 -0.741 -17.571 1.00 0.00 C ATOM 164 CZ TYR A 11 12.181 -1.124 -18.197 1.00 0.00 C ATOM 165 OH TYR A 11 13.007 -0.160 -18.686 1.00 0.00 O ATOM 0 H TYR A 11 8.879 -6.505 -17.624 1.00 0.00 H new ATOM 0 HA TYR A 11 11.339 -5.422 -16.325 1.00 0.00 H new ATOM 0 HB2 TYR A 11 8.747 -4.331 -17.353 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.122 -3.823 -15.718 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.923 -4.489 -17.955 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.244 -1.485 -16.556 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.457 -2.690 -18.858 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.789 0.305 -17.463 1.00 0.00 H new ATOM 0 HH TYR A 11 12.624 0.723 -18.501 1.00 0.00 H new ATOM 175 N THR A 12 10.308 -5.552 -13.981 1.00 0.00 N ATOM 176 CA THR A 12 9.929 -5.996 -12.651 1.00 0.00 C ATOM 177 C THR A 12 9.064 -4.940 -11.961 1.00 0.00 C ATOM 178 O THR A 12 9.182 -3.750 -12.252 1.00 0.00 O ATOM 179 CB THR A 12 11.209 -6.329 -11.881 1.00 0.00 C ATOM 180 OG1 THR A 12 11.852 -5.069 -11.715 1.00 0.00 O ATOM 181 CG2 THR A 12 12.198 -7.146 -12.716 1.00 0.00 C ATOM 0 H THR A 12 11.013 -4.816 -14.000 1.00 0.00 H new ATOM 0 HA THR A 12 9.315 -6.895 -12.696 1.00 0.00 H new ATOM 0 HB THR A 12 10.955 -6.881 -10.976 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.691 -5.192 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.089 -7.355 -12.123 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.732 -8.085 -13.016 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.478 -6.580 -13.605 1.00 0.00 H new ATOM 189 N LEU A 13 8.213 -5.412 -11.062 1.00 0.00 N ATOM 190 CA LEU A 13 7.329 -4.521 -10.329 1.00 0.00 C ATOM 191 C LEU A 13 8.128 -3.320 -9.820 1.00 0.00 C ATOM 192 O LEU A 13 7.634 -2.195 -9.822 1.00 0.00 O ATOM 193 CB LEU A 13 6.595 -5.285 -9.224 1.00 0.00 C ATOM 194 CG LEU A 13 5.140 -5.652 -9.517 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.529 -6.440 -8.356 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.317 -4.407 -9.859 1.00 0.00 C ATOM 0 H LEU A 13 8.117 -6.399 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 13 6.552 -4.131 -10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.146 -6.202 -9.016 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.622 -4.684 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 13 5.122 -6.301 -10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.494 -6.689 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.096 -7.358 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.561 -5.836 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.286 -4.697 -10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.339 -3.714 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.739 -3.923 -10.740 1.00 0.00 H new ATOM 208 N GLU A 14 9.352 -3.601 -9.395 1.00 0.00 N ATOM 209 CA GLU A 14 10.224 -2.558 -8.883 1.00 0.00 C ATOM 210 C GLU A 14 10.593 -1.580 -10.000 1.00 0.00 C ATOM 211 O GLU A 14 10.445 -0.369 -9.843 1.00 0.00 O ATOM 212 CB GLU A 14 11.478 -3.158 -8.243 1.00 0.00 C ATOM 213 CG GLU A 14 11.603 -2.731 -6.779 1.00 0.00 C ATOM 214 CD GLU A 14 10.772 -3.639 -5.870 1.00 0.00 C ATOM 215 OE1 GLU A 14 11.197 -4.800 -5.685 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.732 -3.150 -5.379 1.00 0.00 O ATOM 0 H GLU A 14 9.760 -4.536 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 14 9.688 -2.009 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.438 -4.245 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.361 -2.838 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.649 -2.765 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.272 -1.698 -6.668 1.00 0.00 H new ATOM 223 N GLU A 15 11.066 -2.142 -11.102 1.00 0.00 N ATOM 224 CA GLU A 15 11.458 -1.335 -12.246 1.00 0.00 C ATOM 225 C GLU A 15 10.343 -0.352 -12.607 1.00 0.00 C ATOM 226 O GLU A 15 10.612 0.787 -12.987 1.00 0.00 O ATOM 227 CB GLU A 15 11.823 -2.216 -13.441 1.00 0.00 C ATOM 228 CG GLU A 15 13.231 -2.792 -13.288 1.00 0.00 C ATOM 229 CD GLU A 15 13.670 -3.515 -14.564 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.696 -2.841 -15.617 1.00 0.00 O ATOM 231 OE2 GLU A 15 13.970 -4.724 -14.457 1.00 0.00 O ATOM 0 H GLU A 15 11.187 -3.147 -11.228 1.00 0.00 H new ATOM 0 HA GLU A 15 12.346 -0.764 -11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.102 -3.028 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.763 -1.632 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.933 -1.990 -13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.255 -3.485 -12.447 1.00 0.00 H new ATOM 238 N ILE A 16 9.114 -0.828 -12.479 1.00 0.00 N ATOM 239 CA ILE A 16 7.956 -0.007 -12.788 1.00 0.00 C ATOM 240 C ILE A 16 7.677 0.937 -11.616 1.00 0.00 C ATOM 241 O ILE A 16 7.352 2.105 -11.819 1.00 0.00 O ATOM 242 CB ILE A 16 6.761 -0.884 -13.168 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.191 -2.025 -14.092 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.635 -0.046 -13.777 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.615 -3.362 -13.619 1.00 0.00 C ATOM 0 H ILE A 16 8.894 -1.773 -12.165 1.00 0.00 H new ATOM 0 HA ILE A 16 8.154 0.616 -13.660 1.00 0.00 H new ATOM 0 HB ILE A 16 6.367 -1.337 -12.258 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.856 -1.820 -15.109 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.279 -2.084 -14.121 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.799 -0.695 -14.038 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.304 0.699 -13.054 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.999 0.455 -14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.936 -4.156 -14.294 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.972 -3.576 -12.611 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.526 -3.308 -13.615 1.00 0.00 H new ATOM 257 N GLN A 17 7.816 0.395 -10.415 1.00 0.00 N ATOM 258 CA GLN A 17 7.583 1.172 -9.211 1.00 0.00 C ATOM 259 C GLN A 17 8.543 2.363 -9.154 1.00 0.00 C ATOM 260 O GLN A 17 8.172 3.443 -8.697 1.00 0.00 O ATOM 261 CB GLN A 17 7.716 0.302 -7.960 1.00 0.00 C ATOM 262 CG GLN A 17 6.713 0.727 -6.887 1.00 0.00 C ATOM 263 CD GLN A 17 7.401 1.526 -5.779 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.602 1.450 -5.577 1.00 0.00 O ATOM 265 NE2 GLN A 17 6.576 2.296 -5.075 1.00 0.00 N ATOM 0 H GLN A 17 8.087 -0.574 -10.251 1.00 0.00 H new ATOM 0 HA GLN A 17 6.562 1.553 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.553 -0.744 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.729 0.378 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.925 1.329 -7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.235 -0.155 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.580 2.313 -5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.939 2.870 -4.314 1.00 0.00 H new ATOM 274 N LYS A 18 9.759 2.124 -9.626 1.00 0.00 N ATOM 275 CA LYS A 18 10.774 3.164 -9.635 1.00 0.00 C ATOM 276 C LYS A 18 10.391 4.238 -10.654 1.00 0.00 C ATOM 277 O LYS A 18 10.743 5.405 -10.494 1.00 0.00 O ATOM 278 CB LYS A 18 12.159 2.556 -9.874 1.00 0.00 C ATOM 279 CG LYS A 18 12.468 1.472 -8.838 1.00 0.00 C ATOM 280 CD LYS A 18 13.102 2.077 -7.585 1.00 0.00 C ATOM 281 CE LYS A 18 14.527 2.558 -7.869 1.00 0.00 C ATOM 282 NZ LYS A 18 15.516 1.587 -7.351 1.00 0.00 N ATOM 0 H LYS A 18 10.063 1.227 -10.004 1.00 0.00 H new ATOM 0 HA LYS A 18 10.827 3.653 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.205 2.130 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.917 3.338 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.550 0.949 -8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.142 0.732 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.496 2.912 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.117 1.335 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.665 2.689 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.687 3.531 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.477 1.929 -7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.394 1.482 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.373 0.666 -7.812 1.00 0.00 H new ATOM 296 N HIS A 19 9.674 3.804 -11.682 1.00 0.00 N ATOM 297 CA HIS A 19 9.238 4.714 -12.726 1.00 0.00 C ATOM 298 C HIS A 19 7.771 5.088 -12.503 1.00 0.00 C ATOM 299 O HIS A 19 6.873 4.446 -13.046 1.00 0.00 O ATOM 300 CB HIS A 19 9.493 4.114 -14.111 1.00 0.00 C ATOM 301 CG HIS A 19 10.949 3.848 -14.406 1.00 0.00 C ATOM 302 ND1 HIS A 19 11.585 4.331 -15.536 1.00 0.00 N ATOM 303 CD2 HIS A 19 11.886 3.145 -13.707 1.00 0.00 C ATOM 304 CE1 HIS A 19 12.848 3.931 -15.508 1.00 0.00 C ATOM 305 NE2 HIS A 19 13.033 3.195 -14.374 1.00 0.00 N ATOM 0 H HIS A 19 9.385 2.835 -11.813 1.00 0.00 H new ATOM 0 HA HIS A 19 9.822 5.633 -12.679 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.939 3.180 -14.199 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.097 4.792 -14.868 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.723 2.634 -12.770 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.599 4.149 -16.252 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.908 2.756 -14.086 1.00 0.00 H new ATOM 314 N ASN A 20 7.572 6.126 -11.703 1.00 0.00 N ATOM 315 CA ASN A 20 6.231 6.593 -11.401 1.00 0.00 C ATOM 316 C ASN A 20 6.183 8.115 -11.535 1.00 0.00 C ATOM 317 O ASN A 20 5.232 8.753 -11.082 1.00 0.00 O ATOM 318 CB ASN A 20 5.831 6.231 -9.969 1.00 0.00 C ATOM 319 CG ASN A 20 4.653 7.087 -9.496 1.00 0.00 C ATOM 320 OD1 ASN A 20 3.663 7.179 -10.379 1.00 0.00 O flip ATOM 321 ND2 ASN A 20 4.645 7.626 -8.403 1.00 0.00 N flip ATOM 0 H ASN A 20 8.319 6.657 -11.255 1.00 0.00 H new ATOM 0 HA ASN A 20 5.543 6.116 -12.099 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.562 5.176 -9.918 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.681 6.376 -9.302 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.439 7.514 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.844 8.189 -8.118 1.00 0.00 H new ATOM 328 N ASN A 21 7.219 8.656 -12.161 1.00 0.00 N ATOM 329 CA ASN A 21 7.307 10.092 -12.360 1.00 0.00 C ATOM 330 C ASN A 21 7.053 10.415 -13.834 1.00 0.00 C ATOM 331 O ASN A 21 7.128 9.533 -14.687 1.00 0.00 O ATOM 332 CB ASN A 21 8.698 10.614 -11.994 1.00 0.00 C ATOM 333 CG ASN A 21 9.022 10.332 -10.527 1.00 0.00 C ATOM 334 OD1 ASN A 21 8.426 10.884 -9.615 1.00 0.00 O ATOM 335 ND2 ASN A 21 9.997 9.446 -10.348 1.00 0.00 N ATOM 0 H ASN A 21 8.004 8.125 -12.537 1.00 0.00 H new ATOM 0 HA ASN A 21 6.563 10.568 -11.720 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.446 10.143 -12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.748 11.687 -12.181 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.287 9.191 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.454 9.021 -11.155 1.00 0.00 H new ATOM 342 N SER A 22 6.757 11.681 -14.087 1.00 0.00 N ATOM 343 CA SER A 22 6.492 12.131 -15.442 1.00 0.00 C ATOM 344 C SER A 22 7.733 11.929 -16.314 1.00 0.00 C ATOM 345 O SER A 22 7.683 12.128 -17.526 1.00 0.00 O ATOM 346 CB SER A 22 6.063 13.600 -15.462 1.00 0.00 C ATOM 347 OG SER A 22 5.925 14.099 -16.789 1.00 0.00 O ATOM 0 H SER A 22 6.695 12.410 -13.376 1.00 0.00 H new ATOM 0 HA SER A 22 5.672 11.536 -15.844 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.116 13.708 -14.934 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.798 14.199 -14.924 1.00 0.00 H new ATOM 0 HG SER A 22 6.365 13.487 -17.416 1.00 0.00 H new ATOM 353 N LYS A 23 8.816 11.535 -15.662 1.00 0.00 N ATOM 354 CA LYS A 23 10.067 11.302 -16.361 1.00 0.00 C ATOM 355 C LYS A 23 9.943 10.041 -17.217 1.00 0.00 C ATOM 356 O LYS A 23 10.455 9.991 -18.335 1.00 0.00 O ATOM 357 CB LYS A 23 11.236 11.262 -15.374 1.00 0.00 C ATOM 358 CG LYS A 23 12.216 12.406 -15.635 1.00 0.00 C ATOM 359 CD LYS A 23 13.524 12.194 -14.869 1.00 0.00 C ATOM 360 CE LYS A 23 14.568 13.235 -15.272 1.00 0.00 C ATOM 361 NZ LYS A 23 15.760 13.140 -14.397 1.00 0.00 N ATOM 0 H LYS A 23 8.853 11.371 -14.656 1.00 0.00 H new ATOM 0 HA LYS A 23 10.281 12.128 -17.039 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.857 11.329 -14.354 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.755 10.307 -15.459 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.423 12.476 -16.703 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.764 13.352 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.337 12.257 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.908 11.193 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.859 13.083 -16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.139 14.235 -15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.459 13.854 -14.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.480 13.307 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.178 12.192 -14.482 1.00 0.00 H new ATOM 375 N SER A 24 9.259 9.052 -16.661 1.00 0.00 N ATOM 376 CA SER A 24 9.060 7.794 -17.359 1.00 0.00 C ATOM 377 C SER A 24 7.907 7.016 -16.719 1.00 0.00 C ATOM 378 O SER A 24 8.052 5.840 -16.395 1.00 0.00 O ATOM 379 CB SER A 24 10.337 6.951 -17.351 1.00 0.00 C ATOM 380 OG SER A 24 11.170 7.235 -18.473 1.00 0.00 O ATOM 0 H SER A 24 8.835 9.097 -15.734 1.00 0.00 H new ATOM 0 HA SER A 24 8.809 8.015 -18.396 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.891 7.140 -16.431 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.074 5.893 -17.353 1.00 0.00 H new ATOM 0 HG SER A 24 11.124 8.192 -18.681 1.00 0.00 H new ATOM 386 N THR A 25 6.788 7.707 -16.558 1.00 0.00 N ATOM 387 CA THR A 25 5.612 7.097 -15.962 1.00 0.00 C ATOM 388 C THR A 25 5.346 5.728 -16.592 1.00 0.00 C ATOM 389 O THR A 25 4.732 5.637 -17.654 1.00 0.00 O ATOM 390 CB THR A 25 4.444 8.073 -16.115 1.00 0.00 C ATOM 391 OG1 THR A 25 5.071 9.338 -16.303 1.00 0.00 O ATOM 392 CG2 THR A 25 3.648 8.240 -14.819 1.00 0.00 C ATOM 0 H THR A 25 6.671 8.683 -16.830 1.00 0.00 H new ATOM 0 HA THR A 25 5.759 6.909 -14.899 1.00 0.00 H new ATOM 0 HB THR A 25 3.780 7.724 -16.906 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.590 9.568 -15.504 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.831 8.943 -14.982 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.242 7.275 -14.515 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.304 8.621 -14.036 1.00 0.00 H new ATOM 400 N TRP A 26 5.820 4.696 -15.909 1.00 0.00 N ATOM 401 CA TRP A 26 5.641 3.335 -16.388 1.00 0.00 C ATOM 402 C TRP A 26 4.599 2.655 -15.498 1.00 0.00 C ATOM 403 O TRP A 26 4.521 2.933 -14.302 1.00 0.00 O ATOM 404 CB TRP A 26 6.975 2.587 -16.424 1.00 0.00 C ATOM 405 CG TRP A 26 7.911 3.038 -17.549 1.00 0.00 C ATOM 406 CD1 TRP A 26 9.081 3.679 -17.440 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.704 2.852 -18.965 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.643 3.921 -18.677 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.778 3.402 -19.634 1.00 0.00 C ATOM 410 CE3 TRP A 26 6.644 2.240 -19.658 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.898 3.394 -21.030 1.00 0.00 C ATOM 412 CZ3 TRP A 26 6.779 2.241 -21.051 1.00 0.00 C ATOM 413 CH2 TRP A 26 7.854 2.790 -21.740 1.00 0.00 C ATOM 0 H TRP A 26 6.328 4.775 -15.028 1.00 0.00 H new ATOM 0 HA TRP A 26 5.278 3.332 -17.416 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.481 2.721 -15.468 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.779 1.520 -16.534 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.529 3.970 -16.502 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.529 4.393 -18.856 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.793 1.804 -19.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.750 3.830 -21.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.992 1.783 -21.632 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.884 2.751 -22.819 1.00 0.00 H new ATOM 424 N LEU A 27 3.822 1.777 -16.117 1.00 0.00 N ATOM 425 CA LEU A 27 2.788 1.055 -15.396 1.00 0.00 C ATOM 426 C LEU A 27 2.562 -0.303 -16.064 1.00 0.00 C ATOM 427 O LEU A 27 3.135 -0.586 -17.115 1.00 0.00 O ATOM 428 CB LEU A 27 1.521 1.905 -15.285 1.00 0.00 C ATOM 429 CG LEU A 27 0.501 1.740 -16.414 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.189 1.755 -17.780 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.343 0.480 -16.210 1.00 0.00 C ATOM 0 H LEU A 27 3.888 1.550 -17.109 1.00 0.00 H new ATOM 0 HA LEU A 27 3.103 0.858 -14.371 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.030 1.668 -14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.814 2.954 -15.237 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.180 2.591 -16.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.442 1.636 -18.565 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.709 2.703 -17.915 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.907 0.936 -17.835 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.060 0.386 -17.026 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.307 -0.395 -16.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.878 0.550 -15.263 1.00 0.00 H new ATOM 443 N ILE A 28 1.723 -1.107 -15.426 1.00 0.00 N ATOM 444 CA ILE A 28 1.413 -2.429 -15.945 1.00 0.00 C ATOM 445 C ILE A 28 -0.101 -2.560 -16.125 1.00 0.00 C ATOM 446 O ILE A 28 -0.860 -2.377 -15.176 1.00 0.00 O ATOM 447 CB ILE A 28 2.022 -3.512 -15.052 1.00 0.00 C ATOM 448 CG1 ILE A 28 3.258 -2.987 -14.320 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.324 -4.778 -15.854 1.00 0.00 C ATOM 450 CD1 ILE A 28 3.411 -3.657 -12.952 1.00 0.00 C ATOM 0 H ILE A 28 1.249 -0.869 -14.555 1.00 0.00 H new ATOM 0 HA ILE A 28 1.864 -2.568 -16.927 1.00 0.00 H new ATOM 0 HB ILE A 28 1.288 -3.781 -14.292 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.148 -3.173 -14.922 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.179 -1.907 -14.193 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.756 -5.532 -15.195 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.401 -5.162 -16.289 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.030 -4.544 -16.650 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.297 -3.266 -12.452 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.530 -3.449 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.514 -4.734 -13.084 1.00 0.00 H new ATOM 462 N LEU A 29 -0.494 -2.874 -17.350 1.00 0.00 N ATOM 463 CA LEU A 29 -1.903 -3.032 -17.668 1.00 0.00 C ATOM 464 C LEU A 29 -2.152 -4.452 -18.175 1.00 0.00 C ATOM 465 O LEU A 29 -1.436 -4.938 -19.049 1.00 0.00 O ATOM 466 CB LEU A 29 -2.359 -1.942 -18.642 1.00 0.00 C ATOM 467 CG LEU A 29 -3.548 -1.093 -18.190 1.00 0.00 C ATOM 468 CD1 LEU A 29 -4.415 -0.685 -19.383 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.359 -1.816 -17.113 1.00 0.00 C ATOM 0 H LEU A 29 0.139 -3.024 -18.135 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.511 -2.902 -16.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.516 -1.278 -18.834 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.615 -2.414 -19.591 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.163 -0.176 -17.743 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.253 -0.082 -19.034 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.817 -0.104 -20.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.793 -1.578 -19.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.199 -1.191 -16.809 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.734 -2.759 -17.511 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.723 -2.014 -16.250 1.00 0.00 H new ATOM 481 N HIS A 30 -3.170 -5.081 -17.606 1.00 0.00 N ATOM 482 CA HIS A 30 -3.523 -6.438 -17.990 1.00 0.00 C ATOM 483 C HIS A 30 -2.432 -7.402 -17.523 1.00 0.00 C ATOM 484 O HIS A 30 -2.727 -8.451 -16.954 1.00 0.00 O ATOM 485 CB HIS A 30 -3.788 -6.525 -19.494 1.00 0.00 C ATOM 486 CG HIS A 30 -4.470 -7.801 -19.924 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.780 -8.880 -20.450 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.785 -8.161 -19.900 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.650 -9.839 -20.728 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.892 -9.391 -20.386 1.00 0.00 N ATOM 0 H HIS A 30 -3.762 -4.676 -16.881 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.452 -6.730 -17.499 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.404 -5.677 -19.794 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.841 -6.435 -20.025 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.601 -7.549 -19.546 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.417 -10.805 -21.151 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.761 -9.916 -20.487 1.00 0.00 H new ATOM 499 N TYR A 31 -1.191 -7.014 -17.783 1.00 0.00 N ATOM 500 CA TYR A 31 -0.054 -7.831 -17.396 1.00 0.00 C ATOM 501 C TYR A 31 1.234 -7.322 -18.047 1.00 0.00 C ATOM 502 O TYR A 31 2.331 -7.700 -17.639 1.00 0.00 O ATOM 503 CB TYR A 31 -0.351 -9.239 -17.916 1.00 0.00 C ATOM 504 CG TYR A 31 0.774 -9.840 -18.761 1.00 0.00 C ATOM 505 CD1 TYR A 31 1.977 -10.173 -18.174 1.00 0.00 C ATOM 506 CD2 TYR A 31 0.583 -10.050 -20.112 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.034 -10.739 -18.970 1.00 0.00 C ATOM 508 CE2 TYR A 31 1.642 -10.615 -20.909 1.00 0.00 C ATOM 509 CZ TYR A 31 2.815 -10.931 -20.298 1.00 0.00 C ATOM 510 OH TYR A 31 3.815 -11.466 -21.051 1.00 0.00 O ATOM 0 H TYR A 31 -0.949 -6.144 -18.257 1.00 0.00 H new ATOM 0 HA TYR A 31 0.088 -7.805 -16.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.545 -9.895 -17.068 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.263 -9.210 -18.512 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.126 -10.009 -17.117 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.360 -9.791 -20.571 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.980 -11.005 -18.522 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.507 -10.784 -21.967 1.00 0.00 H new ATOM 0 HH TYR A 31 4.677 -11.111 -20.750 1.00 0.00 H new ATOM 520 N LYS A 32 1.057 -6.471 -19.047 1.00 0.00 N ATOM 521 CA LYS A 32 2.191 -5.905 -19.758 1.00 0.00 C ATOM 522 C LYS A 32 2.535 -4.540 -19.157 1.00 0.00 C ATOM 523 O LYS A 32 1.775 -4.003 -18.353 1.00 0.00 O ATOM 524 CB LYS A 32 1.915 -5.865 -21.262 1.00 0.00 C ATOM 525 CG LYS A 32 1.463 -7.234 -21.773 1.00 0.00 C ATOM 526 CD LYS A 32 -0.035 -7.235 -22.083 1.00 0.00 C ATOM 527 CE LYS A 32 -0.387 -8.335 -23.088 1.00 0.00 C ATOM 528 NZ LYS A 32 -1.852 -8.410 -23.282 1.00 0.00 N ATOM 0 H LYS A 32 0.145 -6.160 -19.382 1.00 0.00 H new ATOM 0 HA LYS A 32 3.071 -6.537 -19.637 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.147 -5.122 -21.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.815 -5.554 -21.792 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.024 -7.495 -22.670 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.684 -7.996 -21.026 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.600 -7.384 -21.163 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.328 -6.264 -22.484 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.102 -8.135 -24.041 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.012 -9.295 -22.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.080 -9.215 -23.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.318 -8.538 -22.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.190 -7.530 -23.721 1.00 0.00 H new ATOM 542 N VAL A 33 3.679 -4.017 -19.574 1.00 0.00 N ATOM 543 CA VAL A 33 4.131 -2.725 -19.088 1.00 0.00 C ATOM 544 C VAL A 33 3.975 -1.684 -20.199 1.00 0.00 C ATOM 545 O VAL A 33 4.502 -1.859 -21.297 1.00 0.00 O ATOM 546 CB VAL A 33 5.566 -2.833 -18.569 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.518 -3.287 -19.678 1.00 0.00 C ATOM 548 CG2 VAL A 33 6.029 -1.511 -17.955 1.00 0.00 C ATOM 0 H VAL A 33 4.306 -4.465 -20.243 1.00 0.00 H new ATOM 0 HA VAL A 33 3.519 -2.399 -18.247 1.00 0.00 H new ATOM 0 HB VAL A 33 5.582 -3.589 -17.784 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.531 -3.356 -19.282 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.206 -4.264 -20.048 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.496 -2.566 -20.495 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.052 -1.616 -17.594 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.989 -0.726 -18.710 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.376 -1.248 -17.123 1.00 0.00 H new ATOM 558 N TYR A 34 3.248 -0.624 -19.876 1.00 0.00 N ATOM 559 CA TYR A 34 3.017 0.444 -20.833 1.00 0.00 C ATOM 560 C TYR A 34 3.604 1.765 -20.333 1.00 0.00 C ATOM 561 O TYR A 34 3.715 1.983 -19.128 1.00 0.00 O ATOM 562 CB TYR A 34 1.497 0.585 -20.946 1.00 0.00 C ATOM 563 CG TYR A 34 0.767 -0.732 -21.210 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.866 -1.769 -20.306 1.00 0.00 C ATOM 565 CD2 TYR A 34 0.009 -0.885 -22.354 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.179 -3.010 -20.553 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.678 -2.124 -22.602 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.559 -3.127 -21.690 1.00 0.00 C ATOM 569 OH TYR A 34 -1.209 -4.299 -21.925 1.00 0.00 O ATOM 0 H TYR A 34 2.812 -0.482 -18.965 1.00 0.00 H new ATOM 0 HA TYR A 34 3.489 0.213 -21.788 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.114 1.022 -20.024 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.266 1.284 -21.750 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.460 -1.650 -19.412 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.068 -0.074 -23.063 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.248 -3.829 -19.852 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.275 -2.255 -23.492 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.406 -4.740 -21.073 1.00 0.00 H new ATOM 579 N ASP A 35 3.966 2.613 -21.285 1.00 0.00 N ATOM 580 CA ASP A 35 4.539 3.907 -20.957 1.00 0.00 C ATOM 581 C ASP A 35 3.426 4.956 -20.906 1.00 0.00 C ATOM 582 O ASP A 35 2.991 5.454 -21.943 1.00 0.00 O ATOM 583 CB ASP A 35 5.553 4.346 -22.013 1.00 0.00 C ATOM 584 CG ASP A 35 5.081 5.468 -22.938 1.00 0.00 C ATOM 585 OD1 ASP A 35 5.036 6.620 -22.455 1.00 0.00 O ATOM 586 OD2 ASP A 35 4.773 5.150 -24.107 1.00 0.00 O ATOM 0 H ASP A 35 3.873 2.429 -22.284 1.00 0.00 H new ATOM 0 HA ASP A 35 5.039 3.818 -19.993 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.463 4.671 -21.508 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.818 3.481 -22.622 1.00 0.00 H new ATOM 591 N LEU A 36 2.997 5.259 -19.690 1.00 0.00 N ATOM 592 CA LEU A 36 1.943 6.240 -19.491 1.00 0.00 C ATOM 593 C LEU A 36 2.426 7.607 -19.981 1.00 0.00 C ATOM 594 O LEU A 36 1.629 8.416 -20.456 1.00 0.00 O ATOM 595 CB LEU A 36 1.477 6.238 -18.034 1.00 0.00 C ATOM 596 CG LEU A 36 0.638 5.035 -17.598 1.00 0.00 C ATOM 597 CD1 LEU A 36 0.053 5.251 -16.203 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.445 4.719 -18.633 1.00 0.00 C ATOM 0 H LEU A 36 3.360 4.843 -18.832 1.00 0.00 H new ATOM 0 HA LEU A 36 1.065 5.981 -20.082 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.356 6.294 -17.392 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.896 7.143 -17.858 1.00 0.00 H new ATOM 0 HG LEU A 36 1.292 4.165 -17.540 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.539 4.381 -15.918 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.863 5.390 -15.486 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.583 6.136 -16.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.027 3.860 -18.300 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.102 5.581 -18.747 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.023 4.491 -19.591 1.00 0.00 H new ATOM 610 N THR A 37 3.726 7.823 -19.849 1.00 0.00 N ATOM 611 CA THR A 37 4.323 9.077 -20.271 1.00 0.00 C ATOM 612 C THR A 37 3.838 9.454 -21.672 1.00 0.00 C ATOM 613 O THR A 37 3.873 10.624 -22.053 1.00 0.00 O ATOM 614 CB THR A 37 5.843 8.934 -20.173 1.00 0.00 C ATOM 615 OG1 THR A 37 6.100 8.913 -18.771 1.00 0.00 O ATOM 616 CG2 THR A 37 6.582 10.180 -20.668 1.00 0.00 C ATOM 0 H THR A 37 4.383 7.149 -19.455 1.00 0.00 H new ATOM 0 HA THR A 37 4.017 9.898 -19.623 1.00 0.00 H new ATOM 0 HB THR A 37 6.164 8.068 -20.752 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.315 9.247 -18.289 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.657 10.026 -20.577 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.329 10.362 -21.712 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.287 11.041 -20.068 1.00 0.00 H new ATOM 624 N LYS A 38 3.396 8.440 -22.403 1.00 0.00 N ATOM 625 CA LYS A 38 2.904 8.650 -23.754 1.00 0.00 C ATOM 626 C LYS A 38 1.448 9.113 -23.696 1.00 0.00 C ATOM 627 O LYS A 38 1.061 10.044 -24.399 1.00 0.00 O ATOM 628 CB LYS A 38 3.118 7.395 -24.602 1.00 0.00 C ATOM 629 CG LYS A 38 4.457 7.454 -25.343 1.00 0.00 C ATOM 630 CD LYS A 38 4.471 6.487 -26.527 1.00 0.00 C ATOM 631 CE LYS A 38 5.221 7.089 -27.718 1.00 0.00 C ATOM 632 NZ LYS A 38 5.098 6.214 -28.904 1.00 0.00 N ATOM 0 H LYS A 38 3.369 7.471 -22.085 1.00 0.00 H new ATOM 0 HA LYS A 38 3.470 9.440 -24.247 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.090 6.512 -23.964 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.305 7.295 -25.321 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.637 8.469 -25.696 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.267 7.207 -24.657 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.944 5.551 -26.231 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.448 6.249 -26.819 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.821 8.077 -27.945 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.273 7.221 -27.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.612 6.637 -29.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.501 5.279 -28.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.094 6.109 -29.155 1.00 0.00 H new ATOM 646 N PHE A 39 0.680 8.438 -22.851 1.00 0.00 N ATOM 647 CA PHE A 39 -0.727 8.769 -22.692 1.00 0.00 C ATOM 648 C PHE A 39 -0.978 9.460 -21.351 1.00 0.00 C ATOM 649 O PHE A 39 -2.003 9.226 -20.711 1.00 0.00 O ATOM 650 CB PHE A 39 -1.501 7.450 -22.727 1.00 0.00 C ATOM 651 CG PHE A 39 -2.923 7.580 -23.277 1.00 0.00 C ATOM 652 CD1 PHE A 39 -3.127 8.082 -24.524 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.984 7.192 -22.518 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.448 8.203 -25.035 1.00 0.00 C ATOM 655 CE2 PHE A 39 -5.304 7.311 -23.029 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.508 7.815 -24.275 1.00 0.00 C ATOM 0 H PHE A 39 1.005 7.665 -22.270 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.043 9.448 -23.484 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.950 6.733 -23.336 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.548 7.041 -21.718 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.285 8.389 -25.127 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.822 6.794 -21.527 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.610 8.602 -26.025 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.146 7.001 -22.428 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.512 7.908 -24.662 1.00 0.00 H new ATOM 666 N LEU A 40 -0.028 10.299 -20.966 1.00 0.00 N ATOM 667 CA LEU A 40 -0.135 11.026 -19.712 1.00 0.00 C ATOM 668 C LEU A 40 -1.229 12.088 -19.834 1.00 0.00 C ATOM 669 O LEU A 40 -2.233 12.035 -19.127 1.00 0.00 O ATOM 670 CB LEU A 40 1.227 11.590 -19.303 1.00 0.00 C ATOM 671 CG LEU A 40 1.317 12.166 -17.887 1.00 0.00 C ATOM 672 CD1 LEU A 40 1.037 11.088 -16.839 1.00 0.00 C ATOM 673 CD2 LEU A 40 2.666 12.852 -17.659 1.00 0.00 C ATOM 0 H LEU A 40 0.819 10.492 -21.500 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.432 10.354 -18.906 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.970 10.798 -19.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.501 12.373 -20.010 1.00 0.00 H new ATOM 0 HG LEU A 40 0.546 12.929 -17.778 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.107 11.523 -15.842 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.035 10.686 -16.990 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.769 10.286 -16.937 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.704 13.252 -16.646 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.470 12.128 -17.793 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.786 13.665 -18.375 1.00 0.00 H new ATOM 685 N GLU A 41 -0.998 13.028 -20.738 1.00 0.00 N ATOM 686 CA GLU A 41 -1.951 14.101 -20.964 1.00 0.00 C ATOM 687 C GLU A 41 -3.306 13.528 -21.387 1.00 0.00 C ATOM 688 O GLU A 41 -4.251 13.515 -20.600 1.00 0.00 O ATOM 689 CB GLU A 41 -1.426 15.092 -22.004 1.00 0.00 C ATOM 690 CG GLU A 41 -1.425 16.519 -21.451 1.00 0.00 C ATOM 691 CD GLU A 41 -2.617 17.315 -21.985 1.00 0.00 C ATOM 692 OE1 GLU A 41 -3.733 17.076 -21.474 1.00 0.00 O ATOM 693 OE2 GLU A 41 -2.387 18.145 -22.890 1.00 0.00 O ATOM 0 H GLU A 41 -0.164 13.069 -21.323 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.084 14.644 -20.028 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.415 14.812 -22.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.045 15.046 -22.900 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.461 16.491 -20.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.496 17.019 -21.727 1.00 0.00 H new ATOM 700 N GLU A 42 -3.356 13.067 -22.627 1.00 0.00 N ATOM 701 CA GLU A 42 -4.578 12.494 -23.166 1.00 0.00 C ATOM 702 C GLU A 42 -5.287 11.660 -22.097 1.00 0.00 C ATOM 703 O GLU A 42 -4.853 10.553 -21.779 1.00 0.00 O ATOM 704 CB GLU A 42 -4.288 11.657 -24.413 1.00 0.00 C ATOM 705 CG GLU A 42 -5.014 12.225 -25.634 1.00 0.00 C ATOM 706 CD GLU A 42 -4.512 11.573 -26.923 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.316 11.772 -27.231 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.333 10.888 -27.571 1.00 0.00 O ATOM 0 H GLU A 42 -2.569 13.078 -23.276 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.239 13.308 -23.463 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.214 11.637 -24.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.602 10.627 -24.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.087 12.060 -25.533 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.860 13.303 -25.684 1.00 0.00 H new ATOM 715 N HIS A 43 -6.365 12.222 -21.571 1.00 0.00 N ATOM 716 CA HIS A 43 -7.138 11.543 -20.545 1.00 0.00 C ATOM 717 C HIS A 43 -8.228 12.479 -20.021 1.00 0.00 C ATOM 718 O HIS A 43 -7.950 13.622 -19.663 1.00 0.00 O ATOM 719 CB HIS A 43 -6.225 11.016 -19.437 1.00 0.00 C ATOM 720 CG HIS A 43 -6.456 9.565 -19.089 1.00 0.00 C ATOM 721 ND1 HIS A 43 -5.552 8.565 -19.404 1.00 0.00 N ATOM 722 CD2 HIS A 43 -7.495 8.956 -18.449 1.00 0.00 C ATOM 723 CE1 HIS A 43 -6.036 7.411 -18.972 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.241 7.655 -18.380 1.00 0.00 N ATOM 0 H HIS A 43 -6.722 13.140 -21.836 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.632 10.671 -20.973 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.187 11.145 -19.744 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.370 11.621 -18.542 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.663 8.695 -19.887 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.375 9.449 -18.064 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.561 6.446 -19.071 1.00 0.00 H new ATOM 733 N PRO A 44 -9.478 11.945 -19.992 1.00 0.00 N ATOM 734 CA PRO A 44 -10.612 12.721 -19.516 1.00 0.00 C ATOM 735 C PRO A 44 -10.592 12.845 -17.992 1.00 0.00 C ATOM 736 O PRO A 44 -11.488 13.446 -17.402 1.00 0.00 O ATOM 737 CB PRO A 44 -11.838 11.986 -20.036 1.00 0.00 C ATOM 738 CG PRO A 44 -11.366 10.583 -20.384 1.00 0.00 C ATOM 739 CD PRO A 44 -9.846 10.595 -20.407 1.00 0.00 C ATOM 0 HA PRO A 44 -10.598 13.750 -19.876 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.625 11.958 -19.283 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.252 12.487 -20.911 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.731 9.864 -19.650 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.760 10.277 -21.353 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.434 9.847 -19.730 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.464 10.369 -21.402 1.00 0.00 H new ATOM 747 N GLY A 45 -9.559 12.265 -17.397 1.00 0.00 N ATOM 748 CA GLY A 45 -9.410 12.304 -15.951 1.00 0.00 C ATOM 749 C GLY A 45 -8.255 13.220 -15.544 1.00 0.00 C ATOM 750 O GLY A 45 -8.435 14.129 -14.735 1.00 0.00 O ATOM 0 H GLY A 45 -8.818 11.766 -17.889 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.336 12.656 -15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.231 11.297 -15.573 1.00 0.00 H new ATOM 754 N GLY A 46 -7.094 12.950 -16.122 1.00 0.00 N ATOM 755 CA GLY A 46 -5.910 13.740 -15.830 1.00 0.00 C ATOM 756 C GLY A 46 -4.656 12.866 -15.822 1.00 0.00 C ATOM 757 O GLY A 46 -4.738 11.657 -15.604 1.00 0.00 O ATOM 0 H GLY A 46 -6.948 12.195 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.803 14.529 -16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.024 14.228 -14.862 1.00 0.00 H new ATOM 761 N GLU A 47 -3.522 13.509 -16.063 1.00 0.00 N ATOM 762 CA GLU A 47 -2.253 12.804 -16.087 1.00 0.00 C ATOM 763 C GLU A 47 -2.148 11.858 -14.889 1.00 0.00 C ATOM 764 O GLU A 47 -1.723 10.713 -15.033 1.00 0.00 O ATOM 765 CB GLU A 47 -1.081 13.787 -16.114 1.00 0.00 C ATOM 766 CG GLU A 47 -1.088 14.613 -17.402 1.00 0.00 C ATOM 767 CD GLU A 47 -1.880 15.909 -17.216 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.994 15.818 -16.655 1.00 0.00 O ATOM 769 OE2 GLU A 47 -1.355 16.962 -17.639 1.00 0.00 O ATOM 0 H GLU A 47 -3.457 14.511 -16.243 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.207 12.209 -16.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.139 14.451 -15.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.141 13.241 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.064 14.847 -17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.525 14.028 -18.211 1.00 0.00 H new ATOM 776 N GLU A 48 -2.543 12.372 -13.733 1.00 0.00 N ATOM 777 CA GLU A 48 -2.499 11.588 -12.511 1.00 0.00 C ATOM 778 C GLU A 48 -3.138 10.217 -12.736 1.00 0.00 C ATOM 779 O GLU A 48 -2.587 9.196 -12.329 1.00 0.00 O ATOM 780 CB GLU A 48 -3.181 12.328 -11.359 1.00 0.00 C ATOM 781 CG GLU A 48 -2.293 12.342 -10.113 1.00 0.00 C ATOM 782 CD GLU A 48 -2.578 13.574 -9.251 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.729 13.682 -8.777 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.636 14.380 -9.084 1.00 0.00 O ATOM 0 H GLU A 48 -2.895 13.322 -13.617 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.455 11.440 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.405 13.351 -11.661 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.132 11.849 -11.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.465 11.438 -9.529 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.244 12.336 -10.409 1.00 0.00 H new ATOM 791 N VAL A 49 -4.294 10.238 -13.385 1.00 0.00 N ATOM 792 CA VAL A 49 -5.015 9.009 -13.669 1.00 0.00 C ATOM 793 C VAL A 49 -4.027 7.940 -14.137 1.00 0.00 C ATOM 794 O VAL A 49 -4.283 6.745 -13.989 1.00 0.00 O ATOM 795 CB VAL A 49 -6.128 9.278 -14.684 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.570 9.331 -16.108 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.241 8.234 -14.570 1.00 0.00 C ATOM 0 H VAL A 49 -4.748 11.087 -13.722 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.499 8.633 -12.767 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.560 10.253 -14.456 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.381 9.523 -16.810 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.831 10.129 -16.180 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.099 8.378 -16.350 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.019 8.450 -15.303 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.830 7.242 -14.758 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.668 8.266 -13.568 1.00 0.00 H new ATOM 807 N LEU A 50 -2.917 8.406 -14.689 1.00 0.00 N ATOM 808 CA LEU A 50 -1.888 7.504 -15.179 1.00 0.00 C ATOM 809 C LEU A 50 -0.697 7.529 -14.220 1.00 0.00 C ATOM 810 O LEU A 50 -0.141 6.481 -13.886 1.00 0.00 O ATOM 811 CB LEU A 50 -1.521 7.842 -16.624 1.00 0.00 C ATOM 812 CG LEU A 50 -2.696 8.025 -17.589 1.00 0.00 C ATOM 813 CD1 LEU A 50 -2.955 9.508 -17.863 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.474 7.234 -18.880 1.00 0.00 C ATOM 0 H LEU A 50 -2.707 9.397 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.259 6.479 -15.202 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.931 8.758 -16.623 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.879 7.050 -17.010 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.592 7.624 -17.116 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.794 9.610 -18.551 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.189 10.015 -16.927 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.066 9.957 -18.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.323 7.381 -19.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.564 7.582 -19.368 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.377 6.174 -18.645 1.00 0.00 H new ATOM 826 N ARG A 51 -0.336 8.734 -13.805 1.00 0.00 N ATOM 827 CA ARG A 51 0.779 8.909 -12.892 1.00 0.00 C ATOM 828 C ARG A 51 0.477 8.242 -11.548 1.00 0.00 C ATOM 829 O ARG A 51 1.309 7.514 -11.010 1.00 0.00 O ATOM 830 CB ARG A 51 1.075 10.393 -12.661 1.00 0.00 C ATOM 831 CG ARG A 51 2.577 10.631 -12.488 1.00 0.00 C ATOM 832 CD ARG A 51 2.886 11.202 -11.103 1.00 0.00 C ATOM 833 NE ARG A 51 4.222 11.837 -11.104 1.00 0.00 N ATOM 834 CZ ARG A 51 4.691 12.599 -10.105 1.00 0.00 C ATOM 835 NH1 ARG A 51 3.936 12.824 -9.022 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.916 13.135 -10.192 1.00 0.00 N ATOM 0 H ARG A 51 -0.797 9.600 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 51 1.653 8.441 -13.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.705 10.977 -13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.543 10.740 -11.775 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.116 9.694 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.931 11.319 -13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.127 11.933 -10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.852 10.408 -10.357 1.00 0.00 H new ATOM 0 HE ARG A 51 4.823 11.686 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.004 12.416 -8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.293 13.404 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.490 12.963 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.274 13.715 -9.433 1.00 0.00 H new ATOM 850 N GLU A 52 -0.720 8.513 -11.046 1.00 0.00 N ATOM 851 CA GLU A 52 -1.143 7.948 -9.776 1.00 0.00 C ATOM 852 C GLU A 52 -1.091 6.420 -9.831 1.00 0.00 C ATOM 853 O GLU A 52 -0.986 5.761 -8.797 1.00 0.00 O ATOM 854 CB GLU A 52 -2.544 8.435 -9.399 1.00 0.00 C ATOM 855 CG GLU A 52 -2.533 9.138 -8.040 1.00 0.00 C ATOM 856 CD GLU A 52 -2.633 8.124 -6.898 1.00 0.00 C ATOM 857 OE1 GLU A 52 -1.953 7.081 -7.004 1.00 0.00 O ATOM 858 OE2 GLU A 52 -3.386 8.416 -5.945 1.00 0.00 O ATOM 0 H GLU A 52 -1.409 9.116 -11.496 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.455 8.288 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.913 9.119 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.231 7.589 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.618 9.720 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.365 9.839 -7.982 1.00 0.00 H new ATOM 865 N GLN A 53 -1.167 5.900 -11.047 1.00 0.00 N ATOM 866 CA GLN A 53 -1.128 4.462 -11.251 1.00 0.00 C ATOM 867 C GLN A 53 0.293 4.012 -11.597 1.00 0.00 C ATOM 868 O GLN A 53 0.682 2.886 -11.295 1.00 0.00 O ATOM 869 CB GLN A 53 -2.119 4.035 -12.336 1.00 0.00 C ATOM 870 CG GLN A 53 -1.741 4.639 -13.690 1.00 0.00 C ATOM 871 CD GLN A 53 -2.573 4.021 -14.816 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.260 2.969 -15.348 1.00 0.00 O ATOM 873 NE2 GLN A 53 -3.647 4.731 -15.147 1.00 0.00 N ATOM 0 H GLN A 53 -1.255 6.449 -11.902 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.425 3.975 -10.322 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.136 2.948 -12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.125 4.352 -12.060 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.897 5.718 -13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.681 4.474 -13.883 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.851 5.604 -14.661 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.267 4.403 -15.887 1.00 0.00 H new ATOM 882 N ALA A 54 1.028 4.917 -12.226 1.00 0.00 N ATOM 883 CA ALA A 54 2.397 4.627 -12.617 1.00 0.00 C ATOM 884 C ALA A 54 3.198 4.211 -11.383 1.00 0.00 C ATOM 885 O ALA A 54 3.168 4.895 -10.360 1.00 0.00 O ATOM 886 CB ALA A 54 2.997 5.847 -13.319 1.00 0.00 C ATOM 0 H ALA A 54 0.702 5.851 -12.474 1.00 0.00 H new ATOM 0 HA ALA A 54 2.427 3.798 -13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.024 5.629 -13.612 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.409 6.083 -14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.986 6.699 -12.640 1.00 0.00 H new ATOM 892 N GLY A 55 3.897 3.093 -11.518 1.00 0.00 N ATOM 893 CA GLY A 55 4.705 2.579 -10.425 1.00 0.00 C ATOM 894 C GLY A 55 4.276 1.160 -10.046 1.00 0.00 C ATOM 895 O GLY A 55 4.625 0.667 -8.975 1.00 0.00 O ATOM 0 H GLY A 55 3.920 2.529 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.756 2.580 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.611 3.235 -9.559 1.00 0.00 H new ATOM 899 N GLY A 56 3.526 0.543 -10.949 1.00 0.00 N ATOM 900 CA GLY A 56 3.046 -0.810 -10.722 1.00 0.00 C ATOM 901 C GLY A 56 1.869 -1.135 -11.643 1.00 0.00 C ATOM 902 O GLY A 56 1.520 -0.340 -12.515 1.00 0.00 O ATOM 0 H GLY A 56 3.240 0.955 -11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.855 -1.520 -10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.740 -0.922 -9.682 1.00 0.00 H new ATOM 906 N ASP A 57 1.289 -2.305 -11.419 1.00 0.00 N ATOM 907 CA ASP A 57 0.159 -2.745 -12.219 1.00 0.00 C ATOM 908 C ASP A 57 -1.029 -1.812 -11.971 1.00 0.00 C ATOM 909 O ASP A 57 -1.430 -1.602 -10.827 1.00 0.00 O ATOM 910 CB ASP A 57 -0.267 -4.164 -11.837 1.00 0.00 C ATOM 911 CG ASP A 57 -1.682 -4.554 -12.271 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.627 -4.131 -11.571 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.785 -5.265 -13.294 1.00 0.00 O ATOM 0 H ASP A 57 1.581 -2.962 -10.695 1.00 0.00 H new ATOM 0 HA ASP A 57 0.460 -2.729 -13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.439 -4.869 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.193 -4.270 -10.755 1.00 0.00 H new ATOM 918 N ALA A 58 -1.560 -1.279 -13.062 1.00 0.00 N ATOM 919 CA ALA A 58 -2.694 -0.374 -12.977 1.00 0.00 C ATOM 920 C ALA A 58 -3.972 -1.126 -13.357 1.00 0.00 C ATOM 921 O ALA A 58 -5.075 -0.628 -13.146 1.00 0.00 O ATOM 922 CB ALA A 58 -2.445 0.841 -13.873 1.00 0.00 C ATOM 0 H ALA A 58 -1.226 -1.457 -14.009 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.818 -0.009 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.295 1.520 -13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.543 1.357 -13.544 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.319 0.513 -14.905 1.00 0.00 H new ATOM 928 N THR A 59 -3.777 -2.316 -13.909 1.00 0.00 N ATOM 929 CA THR A 59 -4.899 -3.142 -14.320 1.00 0.00 C ATOM 930 C THR A 59 -5.919 -3.256 -13.185 1.00 0.00 C ATOM 931 O THR A 59 -7.111 -3.029 -13.392 1.00 0.00 O ATOM 932 CB THR A 59 -4.348 -4.493 -14.781 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.237 -4.894 -15.821 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.502 -5.582 -13.718 1.00 0.00 C ATOM 0 H THR A 59 -2.859 -2.727 -14.081 1.00 0.00 H new ATOM 0 HA THR A 59 -5.437 -2.693 -15.155 1.00 0.00 H new ATOM 0 HB THR A 59 -3.295 -4.386 -15.040 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.941 -4.221 -15.927 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.095 -6.520 -14.096 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.963 -5.290 -12.817 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.558 -5.713 -13.482 1.00 0.00 H new ATOM 942 N GLU A 60 -5.416 -3.612 -12.013 1.00 0.00 N ATOM 943 CA GLU A 60 -6.268 -3.761 -10.845 1.00 0.00 C ATOM 944 C GLU A 60 -7.197 -2.552 -10.710 1.00 0.00 C ATOM 945 O GLU A 60 -8.254 -2.644 -10.086 1.00 0.00 O ATOM 946 CB GLU A 60 -5.433 -3.955 -9.578 1.00 0.00 C ATOM 947 CG GLU A 60 -4.566 -2.727 -9.299 1.00 0.00 C ATOM 948 CD GLU A 60 -4.941 -2.084 -7.961 1.00 0.00 C ATOM 949 OE1 GLU A 60 -4.573 -2.676 -6.924 1.00 0.00 O ATOM 950 OE2 GLU A 60 -5.586 -1.014 -8.007 1.00 0.00 O ATOM 0 H GLU A 60 -4.428 -3.802 -11.846 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.880 -4.653 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.091 -4.140 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.799 -4.835 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.515 -3.015 -9.286 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.688 -2.001 -10.103 1.00 0.00 H new ATOM 957 N ASN A 61 -6.769 -1.446 -11.302 1.00 0.00 N ATOM 958 CA ASN A 61 -7.549 -0.222 -11.254 1.00 0.00 C ATOM 959 C ASN A 61 -8.359 -0.088 -12.546 1.00 0.00 C ATOM 960 O ASN A 61 -9.583 0.028 -12.505 1.00 0.00 O ATOM 961 CB ASN A 61 -6.642 1.004 -11.138 1.00 0.00 C ATOM 962 CG ASN A 61 -6.845 1.710 -9.796 1.00 0.00 C ATOM 963 OD1 ASN A 61 -7.795 2.450 -9.590 1.00 0.00 O ATOM 964 ND2 ASN A 61 -5.904 1.441 -8.895 1.00 0.00 N ATOM 0 H ASN A 61 -5.892 -1.373 -11.817 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.202 -0.272 -10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.600 0.701 -11.240 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.854 1.696 -11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.951 1.863 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.136 0.813 -9.132 1.00 0.00 H new ATOM 971 N PHE A 62 -7.644 -0.111 -13.661 1.00 0.00 N ATOM 972 CA PHE A 62 -8.282 0.007 -14.962 1.00 0.00 C ATOM 973 C PHE A 62 -9.487 -0.929 -15.067 1.00 0.00 C ATOM 974 O PHE A 62 -10.378 -0.709 -15.887 1.00 0.00 O ATOM 975 CB PHE A 62 -7.242 -0.402 -16.008 1.00 0.00 C ATOM 976 CG PHE A 62 -7.703 -1.523 -16.939 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.660 -2.816 -16.519 1.00 0.00 C ATOM 978 CD2 PHE A 62 -8.156 -1.229 -18.188 1.00 0.00 C ATOM 979 CE1 PHE A 62 -8.088 -3.859 -17.383 1.00 0.00 C ATOM 980 CE2 PHE A 62 -8.584 -2.271 -19.051 1.00 0.00 C ATOM 981 CZ PHE A 62 -8.542 -3.563 -18.632 1.00 0.00 C ATOM 0 H PHE A 62 -6.629 -0.210 -13.691 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.633 1.028 -15.114 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.983 0.470 -16.608 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.333 -0.719 -15.497 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.300 -3.050 -15.528 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.190 -0.203 -18.522 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.053 -4.886 -17.050 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.944 -2.037 -20.042 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.869 -4.355 -19.290 1.00 0.00 H new ATOM 991 N GLU A 63 -9.478 -1.952 -14.225 1.00 0.00 N ATOM 992 CA GLU A 63 -10.560 -2.922 -14.214 1.00 0.00 C ATOM 993 C GLU A 63 -11.814 -2.310 -13.587 1.00 0.00 C ATOM 994 O GLU A 63 -12.907 -2.425 -14.140 1.00 0.00 O ATOM 995 CB GLU A 63 -10.146 -4.197 -13.478 1.00 0.00 C ATOM 996 CG GLU A 63 -9.483 -5.192 -14.434 1.00 0.00 C ATOM 997 CD GLU A 63 -10.446 -6.324 -14.801 1.00 0.00 C ATOM 998 OE1 GLU A 63 -10.936 -6.980 -13.857 1.00 0.00 O ATOM 999 OE2 GLU A 63 -10.668 -6.506 -16.018 1.00 0.00 O ATOM 0 H GLU A 63 -8.738 -2.130 -13.545 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.788 -3.195 -15.244 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.457 -3.948 -12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.021 -4.657 -13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.162 -4.675 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.588 -5.607 -13.970 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.614 -1.675 -12.441 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.715 -1.045 -11.734 1.00 0.00 C ATOM 1008 C ASP A 64 -13.328 0.044 -12.618 1.00 0.00 C ATOM 1009 O ASP A 64 -14.550 0.145 -12.729 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.234 -0.387 -10.439 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.124 -0.633 -9.219 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.168 -1.296 -9.401 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -12.739 -0.154 -8.131 1.00 0.00 O ATOM 0 H ASP A 64 -10.706 -1.584 -11.985 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.448 -1.816 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.230 -0.749 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.156 0.688 -10.602 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.452 0.832 -13.223 1.00 0.00 N ATOM 1019 CA VAL A 65 -12.891 1.910 -14.092 1.00 0.00 C ATOM 1020 C VAL A 65 -13.409 1.321 -15.407 1.00 0.00 C ATOM 1021 O VAL A 65 -13.870 2.052 -16.281 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.756 2.915 -14.295 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.392 2.248 -14.107 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -11.854 3.586 -15.667 1.00 0.00 C ATOM 0 H VAL A 65 -11.440 0.745 -13.129 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.714 2.458 -13.633 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.857 3.690 -13.536 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.603 2.985 -14.257 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.322 1.841 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.278 1.442 -14.832 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.035 4.295 -15.784 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.792 2.828 -16.448 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.805 4.113 -15.747 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.314 0.002 -15.506 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.766 -0.694 -16.697 1.00 0.00 C ATOM 1036 C GLY A 66 -13.499 0.139 -17.953 1.00 0.00 C ATOM 1037 O GLY A 66 -14.396 0.809 -18.460 1.00 0.00 O ATOM 0 H GLY A 66 -12.930 -0.602 -14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.256 -1.654 -16.777 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.832 -0.906 -16.616 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.259 0.069 -18.419 1.00 0.00 N ATOM 1042 CA HIS A 67 -11.864 0.808 -19.605 1.00 0.00 C ATOM 1043 C HIS A 67 -12.533 0.197 -20.837 1.00 0.00 C ATOM 1044 O HIS A 67 -13.262 -0.788 -20.729 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.340 0.864 -19.725 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.689 1.879 -18.816 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.243 1.566 -17.544 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.414 3.200 -19.008 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.724 2.661 -17.003 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.831 3.672 -17.912 1.00 0.00 N ATOM 0 H HIS A 67 -11.516 -0.488 -17.996 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.204 1.841 -19.525 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.932 -0.122 -19.503 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.075 1.093 -20.757 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.303 0.650 -17.098 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.633 3.767 -19.901 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.293 2.738 -16.016 1.00 0.00 H new ATOM 1059 N SER A 68 -12.263 0.807 -21.982 1.00 0.00 N ATOM 1060 CA SER A 68 -12.830 0.336 -23.234 1.00 0.00 C ATOM 1061 C SER A 68 -11.769 -0.414 -24.040 1.00 0.00 C ATOM 1062 O SER A 68 -10.585 -0.085 -23.973 1.00 0.00 O ATOM 1063 CB SER A 68 -13.397 1.497 -24.053 1.00 0.00 C ATOM 1064 OG SER A 68 -12.399 2.121 -24.857 1.00 0.00 O ATOM 0 H SER A 68 -11.659 1.624 -22.069 1.00 0.00 H new ATOM 0 HA SER A 68 -13.650 -0.345 -23.003 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.201 1.131 -24.692 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.835 2.235 -23.381 1.00 0.00 H new ATOM 0 HG SER A 68 -12.047 2.908 -24.390 1.00 0.00 H new ATOM 1070 N THR A 69 -12.230 -1.409 -24.784 1.00 0.00 N ATOM 1071 CA THR A 69 -11.334 -2.209 -25.602 1.00 0.00 C ATOM 1072 C THR A 69 -10.427 -1.305 -26.441 1.00 0.00 C ATOM 1073 O THR A 69 -9.345 -1.717 -26.852 1.00 0.00 O ATOM 1074 CB THR A 69 -12.186 -3.163 -26.442 1.00 0.00 C ATOM 1075 OG1 THR A 69 -12.416 -4.273 -25.581 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.410 -3.758 -27.619 1.00 0.00 C ATOM 0 H THR A 69 -13.212 -1.679 -24.837 1.00 0.00 H new ATOM 0 HA THR A 69 -10.663 -2.807 -24.985 1.00 0.00 H new ATOM 0 HB THR A 69 -13.062 -2.633 -26.816 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.963 -4.940 -26.046 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.060 -4.427 -28.182 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.064 -2.955 -28.270 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.552 -4.316 -27.244 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.904 -0.091 -26.667 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.150 0.875 -27.448 1.00 0.00 C ATOM 1086 C ASP A 70 -8.988 1.410 -26.608 1.00 0.00 C ATOM 1087 O ASP A 70 -7.849 1.450 -27.072 1.00 0.00 O ATOM 1088 CB ASP A 70 -11.026 2.063 -27.852 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.358 3.071 -28.788 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.114 3.008 -28.897 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -11.106 3.884 -29.375 1.00 0.00 O ATOM 0 H ASP A 70 -11.803 0.247 -26.323 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.788 0.372 -28.345 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.926 1.683 -28.335 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.344 2.584 -26.949 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.316 1.807 -25.387 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.315 2.336 -24.477 1.00 0.00 C ATOM 1098 C ALA A 71 -7.187 1.316 -24.318 1.00 0.00 C ATOM 1099 O ALA A 71 -6.010 1.672 -24.362 1.00 0.00 O ATOM 1100 CB ALA A 71 -8.973 2.691 -23.143 1.00 0.00 C ATOM 0 H ALA A 71 -10.262 1.773 -25.007 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.878 3.251 -24.877 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.221 3.088 -22.461 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.746 3.441 -23.307 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.421 1.797 -22.709 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.585 0.065 -24.135 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.621 -1.011 -23.969 1.00 0.00 C ATOM 1108 C ARG A 72 -5.818 -1.207 -25.256 1.00 0.00 C ATOM 1109 O ARG A 72 -4.614 -1.457 -25.209 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.318 -2.323 -23.605 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.332 -2.111 -22.478 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.996 -3.432 -22.084 1.00 0.00 C ATOM 1113 NE ARG A 72 -9.127 -4.307 -23.271 1.00 0.00 N ATOM 1114 CZ ARG A 72 -8.185 -5.170 -23.676 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.038 -5.279 -22.992 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -8.391 -5.924 -24.764 1.00 0.00 N ATOM 0 H ARG A 72 -8.561 -0.228 -24.098 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.949 -0.733 -23.157 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.823 -2.726 -24.483 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.576 -3.060 -23.298 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.833 -1.678 -21.611 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.092 -1.398 -22.797 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.404 -3.932 -21.317 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.979 -3.240 -21.653 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.988 -4.249 -23.815 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.882 -4.705 -22.163 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.321 -5.936 -23.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.265 -5.841 -25.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.674 -6.581 -25.072 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.515 -1.087 -26.376 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.882 -1.248 -27.673 1.00 0.00 C ATOM 1132 C GLU A 73 -4.847 -0.144 -27.900 1.00 0.00 C ATOM 1133 O GLU A 73 -3.750 -0.408 -28.390 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.923 -1.263 -28.794 1.00 0.00 C ATOM 1135 CG GLU A 73 -7.054 -2.661 -29.403 1.00 0.00 C ATOM 1136 CD GLU A 73 -8.282 -2.750 -30.311 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -9.347 -2.264 -29.874 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -8.128 -3.302 -31.422 1.00 0.00 O ATOM 0 H GLU A 73 -7.513 -0.880 -26.412 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.368 -2.209 -27.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.888 -0.941 -28.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.639 -0.550 -29.568 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.157 -2.898 -29.974 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.131 -3.402 -28.608 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.233 1.069 -27.533 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.353 2.214 -27.689 1.00 0.00 C ATOM 1147 C LEU A 74 -3.088 1.997 -26.858 1.00 0.00 C ATOM 1148 O LEU A 74 -1.988 2.340 -27.291 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.094 3.509 -27.355 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.730 4.166 -26.022 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.747 5.321 -26.231 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.984 4.611 -25.268 1.00 0.00 C ATOM 0 H LEU A 74 -6.144 1.284 -27.128 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.039 2.313 -28.728 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.908 4.227 -28.154 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.164 3.302 -27.355 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.229 3.423 -25.401 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.504 5.771 -25.268 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.836 4.944 -26.695 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.200 6.072 -26.879 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.696 5.074 -24.324 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.536 5.331 -25.872 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.615 3.745 -25.069 1.00 0.00 H new ATOM 1164 N SER A 75 -3.284 1.429 -25.677 1.00 0.00 N ATOM 1165 CA SER A 75 -2.172 1.162 -24.781 1.00 0.00 C ATOM 1166 C SER A 75 -1.141 0.271 -25.476 1.00 0.00 C ATOM 1167 O SER A 75 0.047 0.330 -25.161 1.00 0.00 O ATOM 1168 CB SER A 75 -2.654 0.504 -23.486 1.00 0.00 C ATOM 1169 OG SER A 75 -4.025 0.121 -23.561 1.00 0.00 O ATOM 0 H SER A 75 -4.197 1.146 -25.320 1.00 0.00 H new ATOM 0 HA SER A 75 -1.706 2.113 -24.523 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.043 -0.374 -23.276 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.515 1.195 -22.655 1.00 0.00 H new ATOM 0 HG SER A 75 -4.090 -0.801 -23.887 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.632 -0.531 -26.408 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.768 -1.433 -27.152 1.00 0.00 C ATOM 1177 C LYS A 76 0.341 -0.626 -27.829 1.00 0.00 C ATOM 1178 O LYS A 76 1.348 -1.186 -28.259 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.589 -2.285 -28.120 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.461 -1.764 -29.554 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.346 -2.564 -30.510 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.031 -2.221 -31.967 1.00 0.00 C ATOM 1183 NZ LYS A 76 -2.062 -3.441 -32.805 1.00 0.00 N ATOM 0 H LYS A 76 -2.618 -0.576 -26.666 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.283 -2.139 -26.478 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.252 -3.321 -28.074 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.636 -2.277 -27.819 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.742 -0.711 -29.588 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.422 -1.828 -29.876 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.196 -3.631 -30.343 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.395 -2.353 -30.302 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.755 -1.497 -32.341 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.049 -1.753 -32.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.846 -3.190 -33.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.354 -4.119 -32.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.007 -3.872 -32.756 1.00 0.00 H new ATOM 1197 N THR A 77 0.118 0.678 -27.906 1.00 0.00 N ATOM 1198 CA THR A 77 1.085 1.567 -28.525 1.00 0.00 C ATOM 1199 C THR A 77 2.181 1.943 -27.525 1.00 0.00 C ATOM 1200 O THR A 77 3.307 2.244 -27.917 1.00 0.00 O ATOM 1201 CB THR A 77 0.329 2.777 -29.079 1.00 0.00 C ATOM 1202 OG1 THR A 77 0.002 3.542 -27.922 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.030 2.397 -29.671 1.00 0.00 C ATOM 0 H THR A 77 -0.719 1.140 -27.550 1.00 0.00 H new ATOM 0 HA THR A 77 1.597 1.078 -29.353 1.00 0.00 H new ATOM 0 HB THR A 77 0.934 3.264 -29.843 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.558 3.005 -27.322 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.525 3.291 -30.050 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.886 1.689 -30.487 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.648 1.940 -28.899 1.00 0.00 H new ATOM 1211 N PHE A 78 1.813 1.913 -26.252 1.00 0.00 N ATOM 1212 CA PHE A 78 2.750 2.245 -25.194 1.00 0.00 C ATOM 1213 C PHE A 78 3.425 0.987 -24.644 1.00 0.00 C ATOM 1214 O PHE A 78 4.402 1.077 -23.902 1.00 0.00 O ATOM 1215 CB PHE A 78 1.943 2.908 -24.074 1.00 0.00 C ATOM 1216 CG PHE A 78 0.916 3.928 -24.568 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.265 4.843 -25.511 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.346 3.920 -24.062 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.312 5.790 -25.969 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.300 4.867 -24.520 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.951 5.783 -25.463 1.00 0.00 C ATOM 0 H PHE A 78 0.878 1.664 -25.930 1.00 0.00 H new ATOM 0 HA PHE A 78 3.529 2.903 -25.580 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.427 2.135 -23.505 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.631 3.403 -23.388 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.268 4.849 -25.912 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.623 3.194 -23.312 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.589 6.516 -26.719 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.303 4.860 -24.119 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.676 6.504 -25.810 1.00 0.00 H new ATOM 1231 N ILE A 79 2.879 -0.156 -25.030 1.00 0.00 N ATOM 1232 CA ILE A 79 3.415 -1.431 -24.585 1.00 0.00 C ATOM 1233 C ILE A 79 4.890 -1.524 -24.982 1.00 0.00 C ATOM 1234 O ILE A 79 5.213 -1.631 -26.164 1.00 0.00 O ATOM 1235 CB ILE A 79 2.562 -2.586 -25.113 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.427 -2.919 -24.142 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.428 -3.809 -25.424 1.00 0.00 C ATOM 1238 CD1 ILE A 79 1.151 -4.422 -24.116 1.00 0.00 C ATOM 0 H ILE A 79 2.070 -0.226 -25.647 1.00 0.00 H new ATOM 0 HA ILE A 79 3.370 -1.505 -23.498 1.00 0.00 H new ATOM 0 HB ILE A 79 2.102 -2.270 -26.049 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.688 -2.576 -23.141 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.524 -2.385 -24.436 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.797 -4.616 -25.798 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.169 -3.548 -26.180 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.935 -4.136 -24.516 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.340 -4.631 -23.418 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.867 -4.757 -25.113 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.049 -4.951 -23.798 1.00 0.00 H new ATOM 1250 N ILE A 80 5.746 -1.480 -23.971 1.00 0.00 N ATOM 1251 CA ILE A 80 7.178 -1.559 -24.200 1.00 0.00 C ATOM 1252 C ILE A 80 7.693 -2.921 -23.731 1.00 0.00 C ATOM 1253 O ILE A 80 8.751 -3.373 -24.165 1.00 0.00 O ATOM 1254 CB ILE A 80 7.891 -0.374 -23.545 1.00 0.00 C ATOM 1255 CG1 ILE A 80 7.729 -0.411 -22.023 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.414 0.952 -24.141 1.00 0.00 C ATOM 1257 CD1 ILE A 80 8.882 0.319 -21.331 1.00 0.00 C ATOM 0 H ILE A 80 5.475 -1.391 -22.992 1.00 0.00 H new ATOM 0 HA ILE A 80 7.397 -1.486 -25.265 1.00 0.00 H new ATOM 0 HB ILE A 80 8.957 -0.456 -23.758 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.782 0.050 -21.743 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.693 -1.446 -21.683 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.937 1.777 -23.657 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.624 0.967 -25.211 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.341 1.058 -23.980 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.743 0.278 -20.251 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.825 -0.160 -21.594 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.901 1.360 -21.655 1.00 0.00 H new ATOM 1269 N GLY A 81 6.919 -3.538 -22.851 1.00 0.00 N ATOM 1270 CA GLY A 81 7.282 -4.840 -22.319 1.00 0.00 C ATOM 1271 C GLY A 81 6.138 -5.433 -21.492 1.00 0.00 C ATOM 1272 O GLY A 81 4.974 -5.103 -21.709 1.00 0.00 O ATOM 0 H GLY A 81 6.042 -3.160 -22.493 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.531 -5.515 -23.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.174 -4.748 -21.699 1.00 0.00 H new ATOM 1276 N GLU A 82 6.512 -6.298 -20.558 1.00 0.00 N ATOM 1277 CA GLU A 82 5.534 -6.939 -19.697 1.00 0.00 C ATOM 1278 C GLU A 82 6.168 -7.313 -18.357 1.00 0.00 C ATOM 1279 O GLU A 82 7.389 -7.441 -18.259 1.00 0.00 O ATOM 1280 CB GLU A 82 4.924 -8.166 -20.378 1.00 0.00 C ATOM 1281 CG GLU A 82 5.002 -8.044 -21.901 1.00 0.00 C ATOM 1282 CD GLU A 82 4.443 -9.294 -22.581 1.00 0.00 C ATOM 1283 OE1 GLU A 82 5.216 -10.269 -22.700 1.00 0.00 O ATOM 1284 OE2 GLU A 82 3.255 -9.249 -22.966 1.00 0.00 O ATOM 0 H GLU A 82 7.479 -6.569 -20.380 1.00 0.00 H new ATOM 0 HA GLU A 82 4.727 -6.231 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.449 -9.065 -20.054 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.884 -8.277 -20.071 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.443 -7.167 -22.228 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.038 -7.893 -22.205 1.00 0.00 H new ATOM 1291 N LEU A 83 5.315 -7.478 -17.358 1.00 0.00 N ATOM 1292 CA LEU A 83 5.778 -7.834 -16.028 1.00 0.00 C ATOM 1293 C LEU A 83 6.442 -9.213 -16.078 1.00 0.00 C ATOM 1294 O LEU A 83 5.818 -10.193 -16.482 1.00 0.00 O ATOM 1295 CB LEU A 83 4.633 -7.740 -15.019 1.00 0.00 C ATOM 1296 CG LEU A 83 5.022 -7.888 -13.546 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.528 -8.115 -13.398 1.00 0.00 C ATOM 1298 CD2 LEU A 83 4.541 -6.687 -12.729 1.00 0.00 C ATOM 0 H LEU A 83 4.304 -7.372 -17.443 1.00 0.00 H new ATOM 0 HA LEU A 83 6.533 -7.127 -15.685 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.139 -6.777 -15.149 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.899 -8.509 -15.259 1.00 0.00 H new ATOM 0 HG LEU A 83 4.522 -8.770 -13.147 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.779 -8.217 -12.342 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.813 -9.024 -13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.067 -7.266 -13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.830 -6.817 -11.686 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.994 -5.776 -13.120 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.456 -6.611 -12.798 1.00 0.00 H new ATOM 1310 N HIS A 84 7.699 -9.244 -15.659 1.00 0.00 N ATOM 1311 CA HIS A 84 8.454 -10.485 -15.650 1.00 0.00 C ATOM 1312 C HIS A 84 7.818 -11.466 -14.664 1.00 0.00 C ATOM 1313 O HIS A 84 6.784 -11.170 -14.067 1.00 0.00 O ATOM 1314 CB HIS A 84 9.931 -10.220 -15.353 1.00 0.00 C ATOM 1315 CG HIS A 84 10.873 -10.723 -16.421 1.00 0.00 C ATOM 1316 ND1 HIS A 84 10.623 -11.339 -17.613 1.00 0.00 N flip ATOM 1317 CD2 HIS A 84 12.249 -10.615 -16.319 1.00 0.00 C flip ATOM 1318 CE1 HIS A 84 11.782 -11.592 -18.207 1.00 0.00 C flip ATOM 1319 NE2 HIS A 84 12.792 -11.145 -17.406 1.00 0.00 N flip ATOM 0 H HIS A 84 8.213 -8.429 -15.323 1.00 0.00 H new ATOM 0 HA HIS A 84 8.418 -10.943 -16.638 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.079 -9.147 -15.229 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.190 -10.690 -14.404 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.789 -10.174 -15.494 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.906 -12.072 -19.166 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.790 -11.208 -17.608 1.00 0.00 H new ATOM 1328 N PRO A 85 8.479 -12.646 -14.521 1.00 0.00 N ATOM 1329 CA PRO A 85 7.988 -13.673 -13.617 1.00 0.00 C ATOM 1330 C PRO A 85 8.267 -13.300 -12.160 1.00 0.00 C ATOM 1331 O PRO A 85 8.115 -14.127 -11.263 1.00 0.00 O ATOM 1332 CB PRO A 85 8.695 -14.947 -14.049 1.00 0.00 C ATOM 1333 CG PRO A 85 9.896 -14.501 -14.869 1.00 0.00 C ATOM 1334 CD PRO A 85 9.705 -13.033 -15.212 1.00 0.00 C ATOM 0 HA PRO A 85 6.906 -13.796 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.008 -15.532 -13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.033 -15.580 -14.639 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.818 -14.645 -14.306 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.981 -15.098 -15.777 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.553 -12.435 -14.878 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.616 -12.886 -16.288 1.00 0.00 H new ATOM 1342 N ASP A 86 8.671 -12.052 -11.969 1.00 0.00 N ATOM 1343 CA ASP A 86 8.972 -11.558 -10.636 1.00 0.00 C ATOM 1344 C ASP A 86 7.664 -11.305 -9.884 1.00 0.00 C ATOM 1345 O ASP A 86 7.633 -11.350 -8.654 1.00 0.00 O ATOM 1346 CB ASP A 86 9.746 -10.240 -10.698 1.00 0.00 C ATOM 1347 CG ASP A 86 9.395 -9.233 -9.601 1.00 0.00 C ATOM 1348 OD1 ASP A 86 9.599 -9.587 -8.419 1.00 0.00 O ATOM 1349 OD2 ASP A 86 8.933 -8.131 -9.968 1.00 0.00 O ATOM 0 H ASP A 86 8.797 -11.368 -12.716 1.00 0.00 H new ATOM 0 HA ASP A 86 9.579 -12.307 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.812 -10.459 -10.642 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.567 -9.776 -11.668 1.00 0.00 H new ATOM 1354 N ASP A 87 6.618 -11.043 -10.651 1.00 0.00 N ATOM 1355 CA ASP A 87 5.311 -10.781 -10.073 1.00 0.00 C ATOM 1356 C ASP A 87 4.266 -10.721 -11.189 1.00 0.00 C ATOM 1357 O ASP A 87 3.739 -9.652 -11.493 1.00 0.00 O ATOM 1358 CB ASP A 87 5.294 -9.441 -9.335 1.00 0.00 C ATOM 1359 CG ASP A 87 5.957 -9.453 -7.956 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.246 -9.805 -6.989 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.157 -9.111 -7.901 1.00 0.00 O ATOM 0 H ASP A 87 6.648 -11.006 -11.670 1.00 0.00 H new ATOM 0 HA ASP A 87 5.087 -11.583 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.793 -8.696 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.259 -9.119 -9.221 1.00 0.00 H new ATOM 1366 N ARG A 88 3.998 -11.882 -11.769 1.00 0.00 N ATOM 1367 CA ARG A 88 3.025 -11.975 -12.845 1.00 0.00 C ATOM 1368 C ARG A 88 1.612 -12.092 -12.274 1.00 0.00 C ATOM 1369 O ARG A 88 0.827 -11.148 -12.351 1.00 0.00 O ATOM 1370 CB ARG A 88 3.308 -13.182 -13.740 1.00 0.00 C ATOM 1371 CG ARG A 88 4.776 -13.212 -14.173 1.00 0.00 C ATOM 1372 CD ARG A 88 4.942 -12.657 -15.589 1.00 0.00 C ATOM 1373 NE ARG A 88 4.374 -13.605 -16.574 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.693 -13.618 -17.874 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.578 -12.735 -18.355 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.127 -14.515 -18.695 1.00 0.00 N ATOM 0 H ARG A 88 4.438 -12.766 -11.514 1.00 0.00 H new ATOM 0 HA ARG A 88 3.104 -11.067 -13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.064 -14.100 -13.206 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.666 -13.145 -14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.376 -12.627 -13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.150 -14.235 -14.134 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.442 -11.692 -15.671 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.998 -12.489 -15.801 1.00 0.00 H new ATOM 0 HE ARG A 88 3.697 -14.291 -16.241 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.009 -12.053 -17.731 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.821 -12.745 -19.346 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.453 -15.188 -18.329 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.370 -14.525 -19.686 1.00 0.00 H new ATOM 1390 N SER A 89 1.330 -13.258 -11.712 1.00 0.00 N ATOM 1391 CA SER A 89 0.024 -13.511 -11.127 1.00 0.00 C ATOM 1392 C SER A 89 -0.188 -12.610 -9.909 1.00 0.00 C ATOM 1393 O SER A 89 -1.285 -12.558 -9.354 1.00 0.00 O ATOM 1394 CB SER A 89 -0.127 -14.982 -10.733 1.00 0.00 C ATOM 1395 OG SER A 89 0.998 -15.457 -10.000 1.00 0.00 O ATOM 0 H SER A 89 1.984 -14.038 -11.649 1.00 0.00 H new ATOM 0 HA SER A 89 -0.736 -13.283 -11.875 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.029 -15.106 -10.133 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.256 -15.586 -11.631 1.00 0.00 H new ATOM 0 HG SER A 89 0.862 -16.399 -9.766 1.00 0.00 H new ATOM 1401 N LYS A 90 0.878 -11.923 -9.528 1.00 0.00 N ATOM 1402 CA LYS A 90 0.824 -11.026 -8.386 1.00 0.00 C ATOM 1403 C LYS A 90 0.139 -9.723 -8.799 1.00 0.00 C ATOM 1404 O LYS A 90 -0.205 -8.902 -7.949 1.00 0.00 O ATOM 1405 CB LYS A 90 2.220 -10.827 -7.793 1.00 0.00 C ATOM 1406 CG LYS A 90 2.499 -11.849 -6.690 1.00 0.00 C ATOM 1407 CD LYS A 90 2.050 -11.321 -5.326 1.00 0.00 C ATOM 1408 CE LYS A 90 1.457 -12.444 -4.472 1.00 0.00 C ATOM 1409 NZ LYS A 90 1.969 -12.365 -3.085 1.00 0.00 N ATOM 0 H LYS A 90 1.786 -11.969 -9.990 1.00 0.00 H new ATOM 0 HA LYS A 90 0.224 -11.462 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.969 -10.921 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.307 -9.818 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.979 -12.781 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.564 -12.078 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.898 -10.874 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.309 -10.533 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.369 -12.371 -4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.711 -13.411 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.557 -13.134 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.005 -12.457 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.705 -11.449 -2.669 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.041 -9.572 -10.103 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.678 -8.382 -10.638 1.00 0.00 C ATOM 1425 C ILE A 91 -1.708 -8.792 -11.693 1.00 0.00 C ATOM 1426 O ILE A 91 -2.803 -8.234 -11.746 1.00 0.00 O ATOM 1427 CB ILE A 91 0.373 -7.397 -11.155 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.662 -7.633 -12.640 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.644 -7.458 -10.307 1.00 0.00 C ATOM 1430 CD1 ILE A 91 1.690 -6.628 -13.164 1.00 0.00 C ATOM 0 H ILE A 91 0.244 -10.255 -10.805 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.217 -7.853 -9.853 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.028 -6.388 -11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.033 -8.648 -12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.262 -7.546 -13.212 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.375 -6.749 -10.695 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.405 -7.204 -9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.059 -8.465 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.878 -6.817 -14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.306 -5.616 -13.039 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.620 -6.734 -12.606 1.00 0.00 H new ATOM 1442 N THR A 92 -1.321 -9.763 -12.507 1.00 0.00 N ATOM 1443 CA THR A 92 -2.197 -10.253 -13.557 1.00 0.00 C ATOM 1444 C THR A 92 -3.663 -10.069 -13.158 1.00 0.00 C ATOM 1445 O THR A 92 -4.022 -10.260 -11.998 1.00 0.00 O ATOM 1446 CB THR A 92 -1.823 -11.710 -13.843 1.00 0.00 C ATOM 1447 OG1 THR A 92 -2.228 -11.914 -15.193 1.00 0.00 O ATOM 1448 CG2 THR A 92 -2.676 -12.700 -13.045 1.00 0.00 C ATOM 0 H THR A 92 -0.412 -10.224 -12.460 1.00 0.00 H new ATOM 0 HA THR A 92 -2.069 -9.683 -14.477 1.00 0.00 H new ATOM 0 HB THR A 92 -0.770 -11.867 -13.610 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.021 -12.833 -15.461 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.371 -13.719 -13.284 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.539 -12.521 -11.979 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.726 -12.566 -13.303 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.469 -9.701 -14.144 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.887 -9.489 -13.909 1.00 0.00 C ATOM 1458 C LYS A 93 -6.399 -10.538 -12.921 1.00 0.00 C ATOM 1459 O LYS A 93 -6.558 -11.705 -13.276 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.652 -9.467 -15.235 1.00 0.00 C ATOM 1461 CG LYS A 93 -8.161 -9.421 -14.997 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.888 -10.435 -15.882 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.525 -11.542 -15.040 1.00 0.00 C ATOM 1464 NZ LYS A 93 -8.991 -12.865 -15.434 1.00 0.00 N ATOM 0 H LYS A 93 -4.167 -9.545 -15.106 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.056 -8.513 -13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.346 -8.600 -15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.399 -10.352 -15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.374 -9.630 -13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.535 -8.418 -15.204 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.657 -9.928 -16.465 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.186 -10.872 -16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -9.327 -11.363 -13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.607 -11.527 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.434 -13.605 -14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.202 -13.040 -16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.961 -12.881 -15.289 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.650 -10.074 -11.668 1.00 0.00 N ATOM 1479 CA PRO A 94 -7.141 -10.958 -10.626 1.00 0.00 C ATOM 1480 C PRO A 94 -8.621 -11.287 -10.838 1.00 0.00 C ATOM 1481 O PRO A 94 -9.212 -10.885 -11.839 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.877 -10.218 -9.325 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.679 -8.761 -9.706 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.474 -8.698 -11.212 1.00 0.00 C ATOM 0 HA PRO A 94 -6.641 -11.926 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.713 -10.331 -8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.994 -10.614 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.546 -8.168 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.817 -8.344 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.195 -8.030 -11.682 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.482 -8.322 -11.461 1.00 0.00 H new ATOM 1492 N SER A 95 -9.176 -12.014 -9.879 1.00 0.00 N ATOM 1493 CA SER A 95 -10.575 -12.401 -9.948 1.00 0.00 C ATOM 1494 C SER A 95 -11.165 -12.488 -8.539 1.00 0.00 C ATOM 1495 O SER A 95 -10.427 -12.575 -7.558 1.00 0.00 O ATOM 1496 CB SER A 95 -10.741 -13.737 -10.676 1.00 0.00 C ATOM 1497 OG SER A 95 -9.949 -14.767 -10.090 1.00 0.00 O ATOM 0 H SER A 95 -8.682 -12.345 -9.050 1.00 0.00 H new ATOM 0 HA SER A 95 -11.113 -11.640 -10.513 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.790 -14.032 -10.658 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.462 -13.616 -11.723 1.00 0.00 H new ATOM 0 HG SER A 95 -10.084 -15.604 -10.582 1.00 0.00 H new ATOM 1503 N GLU A 96 -12.488 -12.460 -8.482 1.00 0.00 N ATOM 1504 CA GLU A 96 -13.185 -12.533 -7.210 1.00 0.00 C ATOM 1505 C GLU A 96 -12.921 -11.271 -6.386 1.00 0.00 C ATOM 1506 O GLU A 96 -11.779 -10.826 -6.274 1.00 0.00 O ATOM 1507 CB GLU A 96 -12.778 -13.788 -6.434 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.809 -14.125 -5.356 1.00 0.00 C ATOM 1509 CD GLU A 96 -14.200 -15.602 -5.413 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -13.340 -16.401 -5.840 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -15.352 -15.900 -5.027 1.00 0.00 O ATOM 0 H GLU A 96 -13.096 -12.388 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 96 -14.255 -12.597 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.678 -14.628 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.802 -13.634 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -13.402 -13.891 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.696 -13.505 -5.490 1.00 0.00 H new ATOM 1518 N SER A 97 -13.996 -10.729 -5.832 1.00 0.00 N ATOM 1519 CA SER A 97 -13.895 -9.526 -5.023 1.00 0.00 C ATOM 1520 C SER A 97 -14.942 -9.558 -3.907 1.00 0.00 C ATOM 1521 O SER A 97 -15.820 -10.419 -3.900 1.00 0.00 O ATOM 1522 CB SER A 97 -14.071 -8.271 -5.879 1.00 0.00 C ATOM 1523 OG SER A 97 -13.477 -7.125 -5.273 1.00 0.00 O ATOM 0 H SER A 97 -14.941 -11.101 -5.927 1.00 0.00 H new ATOM 0 HA SER A 97 -12.900 -9.494 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.625 -8.435 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.133 -8.087 -6.039 1.00 0.00 H new ATOM 0 HG SER A 97 -13.609 -6.344 -5.850 1.00 0.00 H new ATOM 1529 N ILE A 98 -14.812 -8.610 -2.991 1.00 0.00 N ATOM 1530 CA ILE A 98 -15.734 -8.518 -1.873 1.00 0.00 C ATOM 1531 C ILE A 98 -15.770 -7.077 -1.362 1.00 0.00 C ATOM 1532 O ILE A 98 -14.742 -6.403 -1.324 1.00 0.00 O ATOM 1533 CB ILE A 98 -15.374 -9.544 -0.795 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -16.586 -9.864 0.083 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -14.176 -9.073 0.030 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -16.726 -11.372 0.295 1.00 0.00 C ATOM 0 H ILE A 98 -14.081 -7.898 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.746 -8.767 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.081 -10.471 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -16.483 -9.366 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.491 -9.473 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.941 -9.819 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -13.315 -8.936 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.417 -8.127 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -17.595 -11.572 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -16.853 -11.865 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -15.830 -11.756 0.783 1.00 0.00 H new ATOM 1548 N ILE A 99 -16.965 -6.645 -0.984 1.00 0.00 N ATOM 1549 CA ILE A 99 -17.147 -5.296 -0.479 1.00 0.00 C ATOM 1550 C ILE A 99 -17.725 -5.360 0.937 1.00 0.00 C ATOM 1551 O ILE A 99 -18.314 -6.368 1.326 1.00 0.00 O ATOM 1552 CB ILE A 99 -17.990 -4.468 -1.450 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -17.224 -4.197 -2.747 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -18.478 -3.177 -0.790 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -17.585 -5.222 -3.822 1.00 0.00 C ATOM 0 H ILE A 99 -17.816 -7.206 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 99 -16.188 -4.783 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 99 -18.875 -5.047 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -17.453 -3.193 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.152 -4.230 -2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -19.075 -2.607 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -19.087 -3.421 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.620 -2.582 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -17.027 -5.006 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -17.333 -6.222 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -18.654 -5.170 -4.031 1.00 0.00 H new ATOM 1567 N THR A 100 -17.538 -4.271 1.669 1.00 0.00 N ATOM 1568 CA THR A 100 -18.034 -4.191 3.032 1.00 0.00 C ATOM 1569 C THR A 100 -18.581 -2.792 3.319 1.00 0.00 C ATOM 1570 O THR A 100 -18.065 -1.803 2.804 1.00 0.00 O ATOM 1571 CB THR A 100 -16.899 -4.605 3.972 1.00 0.00 C ATOM 1572 OG1 THR A 100 -17.509 -4.633 5.261 1.00 0.00 O ATOM 1573 CG2 THR A 100 -15.818 -3.529 4.096 1.00 0.00 C ATOM 0 H THR A 100 -17.050 -3.437 1.343 1.00 0.00 H new ATOM 0 HA THR A 100 -18.871 -4.871 3.190 1.00 0.00 H new ATOM 0 HB THR A 100 -16.450 -5.531 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.844 -4.894 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.037 -3.874 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.386 -3.333 3.115 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.260 -2.613 4.488 1.00 0.00 H new ATOM 1581 N THR A 101 -19.621 -2.755 4.141 1.00 0.00 N ATOM 1582 CA THR A 101 -20.243 -1.495 4.503 1.00 0.00 C ATOM 1583 C THR A 101 -20.918 -1.605 5.872 1.00 0.00 C ATOM 1584 O THR A 101 -21.665 -2.549 6.125 1.00 0.00 O ATOM 1585 CB THR A 101 -21.208 -1.104 3.381 1.00 0.00 C ATOM 1586 OG1 THR A 101 -21.676 0.188 3.758 1.00 0.00 O ATOM 1587 CG2 THR A 101 -22.470 -1.967 3.367 1.00 0.00 C ATOM 0 H THR A 101 -20.047 -3.579 4.566 1.00 0.00 H new ATOM 0 HA THR A 101 -19.500 -0.704 4.605 1.00 0.00 H new ATOM 0 HB THR A 101 -20.699 -1.188 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 101 -22.306 0.517 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 101 -23.120 -1.648 2.552 1.00 0.00 H new ATOM 0 HG22 THR A 101 -22.195 -3.012 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 101 -22.996 -1.857 4.315 1.00 0.00 H new ATOM 1595 N ILE A 102 -20.629 -0.629 6.720 1.00 0.00 N ATOM 1596 CA ILE A 102 -21.198 -0.605 8.056 1.00 0.00 C ATOM 1597 C ILE A 102 -20.854 0.724 8.729 1.00 0.00 C ATOM 1598 O ILE A 102 -19.747 1.237 8.571 1.00 0.00 O ATOM 1599 CB ILE A 102 -20.747 -1.832 8.852 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -21.496 -1.928 10.182 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -19.230 -1.831 9.046 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -22.897 -2.509 9.983 1.00 0.00 C ATOM 0 H ILE A 102 -20.008 0.151 6.507 1.00 0.00 H new ATOM 0 HA ILE A 102 -22.285 -0.666 8.008 1.00 0.00 H new ATOM 0 HB ILE A 102 -20.997 -2.724 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -20.934 -2.554 10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -21.570 -0.939 10.634 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -18.935 -2.713 9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -18.739 -1.845 8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -18.933 -0.934 9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -23.407 -2.566 10.945 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -23.464 -1.868 9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -22.819 -3.508 9.554 1.00 0.00 H new ATOM 1614 N ASP A 103 -21.824 1.248 9.465 1.00 0.00 N ATOM 1615 CA ASP A 103 -21.637 2.508 10.162 1.00 0.00 C ATOM 1616 C ASP A 103 -22.001 2.329 11.638 1.00 0.00 C ATOM 1617 O ASP A 103 -22.957 1.627 11.965 1.00 0.00 O ATOM 1618 CB ASP A 103 -22.541 3.598 9.582 1.00 0.00 C ATOM 1619 CG ASP A 103 -23.981 3.586 10.100 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -24.508 2.469 10.289 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -24.522 4.696 10.294 1.00 0.00 O ATOM 0 H ASP A 103 -22.742 0.822 9.593 1.00 0.00 H new ATOM 0 HA ASP A 103 -20.594 2.805 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -22.100 4.570 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.560 3.494 8.497 1.00 0.00 H new ATOM 1626 N SER A 104 -21.219 2.975 12.489 1.00 0.00 N ATOM 1627 CA SER A 104 -21.446 2.896 13.923 1.00 0.00 C ATOM 1628 C SER A 104 -20.449 3.790 14.662 1.00 0.00 C ATOM 1629 O SER A 104 -20.391 4.994 14.416 1.00 0.00 O ATOM 1630 CB SER A 104 -21.333 1.452 14.419 1.00 0.00 C ATOM 1631 OG SER A 104 -21.665 1.335 15.801 1.00 0.00 O ATOM 0 H SER A 104 -20.427 3.556 12.214 1.00 0.00 H new ATOM 0 HA SER A 104 -22.458 3.245 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.994 0.814 13.832 1.00 0.00 H new ATOM 0 HB3 SER A 104 -20.317 1.092 14.258 1.00 0.00 H new ATOM 0 HG SER A 104 -21.583 0.399 16.079 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.008 5.425 -17.918 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.625 7.278 -19.008 1.00 0.00 C HETATM 1640 CHB HEM A 105 -6.918 5.048 -21.159 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.501 3.382 -16.818 1.00 0.00 C HETATM 1642 CHD HEM A 105 -8.951 5.960 -14.675 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.661 6.031 -19.697 1.00 0.00 N HETATM 1644 C1A HEM A 105 -9.808 6.712 -19.979 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.003 6.807 -21.439 1.00 0.00 C HETATM 1646 C3A HEM A 105 -8.917 6.245 -22.057 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.079 5.774 -20.978 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.642 6.127 -23.556 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.226 7.385 -22.121 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.428 6.464 -21.985 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.051 4.999 -22.054 1.00 0.00 C HETATM 1652 O1A HEM A 105 -11.419 4.592 -23.048 1.00 0.00 O HETATM 1653 O2A HEM A 105 -12.417 4.233 -21.145 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.524 4.458 -18.784 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.193 4.420 -20.151 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.019 3.591 -20.384 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.663 3.071 -19.155 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.575 3.639 -18.188 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.406 3.284 -21.749 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.786 2.008 -18.834 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.496 1.772 -19.248 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.362 4.800 -16.138 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.325 3.915 -15.871 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.192 3.630 -14.426 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.176 4.367 -13.830 1.00 0.00 C HETATM 1666 C4C HEM A 105 -7.873 5.109 -14.888 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.153 2.658 -13.811 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.487 4.436 -12.464 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.499 4.517 -11.496 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.508 6.386 -17.014 1.00 0.00 N HETATM 1671 C1D HEM A 105 -9.727 6.553 -15.642 1.00 0.00 C HETATM 1672 C2D HEM A 105 -10.833 7.438 -15.392 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.263 7.839 -16.601 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.484 7.145 -17.620 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.438 7.812 -14.046 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.293 8.907 -16.874 1.00 0.00 C HETATM 1677 CBD HEM A 105 -13.665 8.291 -16.997 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.442 8.861 -18.160 1.00 0.00 C HETATM 1679 O1D HEM A 105 -13.795 9.322 -19.122 1.00 0.00 O HETATM 1680 O2D HEM A 105 -15.697 8.833 -18.121 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.587 6.062 -24.095 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.052 5.231 -23.748 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.091 7.004 -23.895 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -3.332 3.130 -21.639 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -4.586 4.120 -22.425 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -4.862 2.382 -22.158 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -4.889 2.994 -12.808 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.259 2.639 -14.434 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.579 1.656 -13.758 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.316 6.983 -13.349 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.499 8.028 -14.171 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -10.932 8.694 -13.652 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -1.963 0.889 -18.895 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.006 2.468 -19.929 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -6.772 4.569 -10.442 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.449 4.528 -11.789 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.144 6.689 -22.775 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -12.927 6.662 -21.037 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.011 7.551 -23.177 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.460 8.357 -21.687 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.221 8.457 -16.074 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.568 7.212 -17.120 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.042 9.438 -17.792 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.287 9.642 -16.069 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.451 7.880 -19.358 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.541 4.960 -22.167 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.729 2.706 -16.481 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.204 6.177 -13.648 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.196 1.261 -18.154 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.533 4.426 -12.156 1.00 0.00 H new