USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 43 HIS HE2 : A 43 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 105 HEMFE :(H bumps) USER MOD Set 1.1: A 75 SER OG : rot -56:sc= -0.0645 USER MOD Set 1.2: A 105 HEM CMB :methyl -30:sc= -5.59! (180deg=-5.86!) USER MOD Set 2.1: A 53 GLN : amide:sc= -9.14! C(o=-22!,f=-28!) USER MOD Set 2.2: A 105 HEM CMC :methyl 150:sc= -13.2! (180deg=-8.6!) USER MOD Set 3.1: A 25 THR OG1 : rot 104:sc= -1.95! USER MOD Set 3.2: A 37 THR OG1 : rot -114:sc= 2.46 USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0361) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.727 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= 0.212 USER MOD Single : A 17 GLN : amide:sc= -0.0445 X(o=-0.045,f=-0.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -3.77 X(o=-3.8,f=-4.3) USER MOD Single : A 20 ASN : amide:sc= -2.59! C(o=-2.6!,f=-3.2!) USER MOD Single : A 21 ASN : amide:sc= -0.01 K(o=-0.01,f=-0.73) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 7:sc= 0.13 USER MOD Single : A 30 HIS : no HD1:sc= -0.566 K(o=-0.57,f=0.0087) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 10:sc= 0.0712! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -140:sc= 0.596 USER MOD Single : A 61 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.0018) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0478 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -61:sc= 0.876 USER MOD Single : A 84 HIS : no HD1:sc= -10.3! C(o=-10!,f=-8.6!) 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= -1.01 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 39:sc= 0.149 USER MOD Single : A 97 SER OG : rot 64:sc= 0.352 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HEM CMA :methyl 150:sc= -1.1 (180deg=-1.1) USER MOD Single : A 105 HEM CMD :methyl -30:sc= 0 (180deg=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.071 4.310 -33.549 1.00 0.00 N ATOM 2 CA ALA A 1 28.476 4.128 -33.869 1.00 0.00 C ATOM 3 C ALA A 1 28.747 2.648 -34.144 1.00 0.00 C ATOM 4 O ALA A 1 29.339 2.300 -35.165 1.00 0.00 O ATOM 5 CB ALA A 1 29.334 4.675 -32.726 1.00 0.00 C ATOM 0 H1 ALA A 1 26.860 5.326 -33.478 1.00 0.00 H new ATOM 0 H2 ALA A 1 26.487 3.886 -34.298 1.00 0.00 H new ATOM 0 H3 ALA A 1 26.859 3.848 -32.641 1.00 0.00 H new ATOM 0 HA ALA A 1 28.739 4.683 -34.770 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.389 4.539 -32.965 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.127 5.737 -32.591 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.099 4.140 -31.806 1.00 0.00 H new ATOM 11 N GLU A 2 28.298 1.815 -33.216 1.00 0.00 N ATOM 12 CA GLU A 2 28.484 0.379 -33.345 1.00 0.00 C ATOM 13 C GLU A 2 27.128 -0.326 -33.414 1.00 0.00 C ATOM 14 O GLU A 2 26.823 -0.996 -34.398 1.00 0.00 O ATOM 15 CB GLU A 2 29.331 -0.169 -32.197 1.00 0.00 C ATOM 16 CG GLU A 2 30.634 -0.777 -32.718 1.00 0.00 C ATOM 17 CD GLU A 2 31.484 -1.324 -31.568 1.00 0.00 C ATOM 18 OE1 GLU A 2 31.754 -0.533 -30.637 1.00 0.00 O ATOM 19 OE2 GLU A 2 31.843 -2.518 -31.645 1.00 0.00 O ATOM 0 H GLU A 2 27.806 2.107 -32.372 1.00 0.00 H new ATOM 0 HA GLU A 2 29.021 0.182 -34.273 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.556 0.631 -31.492 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.766 -0.925 -31.652 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.409 -1.578 -33.422 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.199 -0.022 -33.265 1.00 0.00 H new ATOM 26 N GLU A 3 26.352 -0.152 -32.355 1.00 0.00 N ATOM 27 CA GLU A 3 25.036 -0.764 -32.282 1.00 0.00 C ATOM 28 C GLU A 3 24.288 -0.271 -31.042 1.00 0.00 C ATOM 29 O GLU A 3 24.859 0.427 -30.205 1.00 0.00 O ATOM 30 CB GLU A 3 25.140 -2.291 -32.288 1.00 0.00 C ATOM 31 CG GLU A 3 24.098 -2.909 -33.220 1.00 0.00 C ATOM 32 CD GLU A 3 24.330 -4.412 -33.383 1.00 0.00 C ATOM 33 OE1 GLU A 3 25.503 -4.785 -33.603 1.00 0.00 O ATOM 34 OE2 GLU A 3 23.330 -5.155 -33.287 1.00 0.00 O ATOM 0 H GLU A 3 26.609 0.404 -31.540 1.00 0.00 H new ATOM 0 HA GLU A 3 24.470 -0.467 -33.165 1.00 0.00 H new ATOM 0 HB2 GLU A 3 26.139 -2.589 -32.605 1.00 0.00 H new ATOM 0 HB3 GLU A 3 25.000 -2.672 -31.277 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.099 -2.733 -32.822 1.00 0.00 H new ATOM 0 HG3 GLU A 3 24.143 -2.423 -34.195 1.00 0.00 H new ATOM 41 N SER A 4 23.021 -0.650 -30.963 1.00 0.00 N ATOM 42 CA SER A 4 22.189 -0.255 -29.841 1.00 0.00 C ATOM 43 C SER A 4 20.800 -0.883 -29.970 1.00 0.00 C ATOM 44 O SER A 4 20.477 -1.474 -31.000 1.00 0.00 O ATOM 45 CB SER A 4 22.076 1.268 -29.747 1.00 0.00 C ATOM 46 OG SER A 4 22.587 1.768 -28.514 1.00 0.00 O ATOM 0 H SER A 4 22.550 -1.228 -31.660 1.00 0.00 H new ATOM 0 HA SER A 4 22.659 -0.615 -28.926 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.619 1.723 -30.575 1.00 0.00 H new ATOM 0 HB3 SER A 4 21.031 1.561 -29.851 1.00 0.00 H new ATOM 0 HG SER A 4 22.498 2.744 -28.495 1.00 0.00 H new ATOM 52 N SER A 5 20.018 -0.736 -28.912 1.00 0.00 N ATOM 53 CA SER A 5 18.671 -1.281 -28.895 1.00 0.00 C ATOM 54 C SER A 5 17.893 -0.719 -27.704 1.00 0.00 C ATOM 55 O SER A 5 18.445 0.024 -26.892 1.00 0.00 O ATOM 56 CB SER A 5 18.697 -2.810 -28.837 1.00 0.00 C ATOM 57 OG SER A 5 18.617 -3.395 -30.134 1.00 0.00 O ATOM 0 H SER A 5 20.291 -0.247 -28.059 1.00 0.00 H new ATOM 0 HA SER A 5 18.172 -0.987 -29.818 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.614 -3.139 -28.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.865 -3.164 -28.228 1.00 0.00 H new ATOM 0 HG SER A 5 19.207 -2.911 -30.748 1.00 0.00 H new ATOM 63 N LYS A 6 16.624 -1.094 -27.636 1.00 0.00 N ATOM 64 CA LYS A 6 15.764 -0.635 -26.557 1.00 0.00 C ATOM 65 C LYS A 6 14.416 -1.351 -26.647 1.00 0.00 C ATOM 66 O LYS A 6 13.561 -0.972 -27.448 1.00 0.00 O ATOM 67 CB LYS A 6 15.655 0.890 -26.572 1.00 0.00 C ATOM 68 CG LYS A 6 15.482 1.442 -25.156 1.00 0.00 C ATOM 69 CD LYS A 6 15.958 2.892 -25.070 1.00 0.00 C ATOM 70 CE LYS A 6 15.469 3.555 -23.780 1.00 0.00 C ATOM 71 NZ LYS A 6 14.659 4.756 -24.089 1.00 0.00 N ATOM 0 H LYS A 6 16.170 -1.710 -28.310 1.00 0.00 H new ATOM 0 HA LYS A 6 16.196 -0.890 -25.589 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.549 1.317 -27.026 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.809 1.191 -27.189 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.433 1.382 -24.864 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.044 0.829 -24.452 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.047 2.924 -25.109 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.592 3.450 -25.931 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.875 2.847 -23.203 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.322 3.834 -23.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.335 5.194 -23.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.237 5.437 -24.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.835 4.481 -24.661 1.00 0.00 H new ATOM 85 N ALA A 7 14.266 -2.370 -25.815 1.00 0.00 N ATOM 86 CA ALA A 7 13.034 -3.141 -25.790 1.00 0.00 C ATOM 87 C ALA A 7 12.946 -3.911 -24.471 1.00 0.00 C ATOM 88 O ALA A 7 13.416 -5.042 -24.375 1.00 0.00 O ATOM 89 CB ALA A 7 12.987 -4.066 -27.008 1.00 0.00 C ATOM 0 H ALA A 7 14.977 -2.680 -25.153 1.00 0.00 H new ATOM 0 HA ALA A 7 12.168 -2.482 -25.846 1.00 0.00 H new ATOM 0 HB1 ALA A 7 12.063 -4.645 -26.990 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.024 -3.469 -27.920 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.840 -4.744 -26.983 1.00 0.00 H new ATOM 95 N VAL A 8 12.339 -3.263 -23.486 1.00 0.00 N ATOM 96 CA VAL A 8 12.182 -3.872 -22.177 1.00 0.00 C ATOM 97 C VAL A 8 11.711 -5.319 -22.343 1.00 0.00 C ATOM 98 O VAL A 8 12.427 -6.254 -21.985 1.00 0.00 O ATOM 99 CB VAL A 8 11.235 -3.031 -21.318 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.197 -2.316 -22.186 1.00 0.00 C ATOM 101 CG2 VAL A 8 10.559 -3.888 -20.246 1.00 0.00 C ATOM 0 H VAL A 8 11.951 -2.323 -23.569 1.00 0.00 H new ATOM 0 HA VAL A 8 13.138 -3.900 -21.653 1.00 0.00 H new ATOM 0 HB VAL A 8 11.829 -2.270 -20.811 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.537 -1.725 -21.551 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.704 -1.659 -22.893 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.610 -3.054 -22.733 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.892 -3.266 -19.650 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.985 -4.682 -20.724 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.318 -4.328 -19.600 1.00 0.00 H new ATOM 111 N LYS A 9 10.511 -5.457 -22.888 1.00 0.00 N ATOM 112 CA LYS A 9 9.937 -6.773 -23.107 1.00 0.00 C ATOM 113 C LYS A 9 9.471 -7.352 -21.769 1.00 0.00 C ATOM 114 O LYS A 9 8.291 -7.655 -21.598 1.00 0.00 O ATOM 115 CB LYS A 9 10.925 -7.673 -23.854 1.00 0.00 C ATOM 116 CG LYS A 9 11.168 -7.159 -25.274 1.00 0.00 C ATOM 117 CD LYS A 9 10.612 -8.135 -26.313 1.00 0.00 C ATOM 118 CE LYS A 9 11.162 -7.825 -27.706 1.00 0.00 C ATOM 119 NZ LYS A 9 10.435 -8.601 -28.735 1.00 0.00 N ATOM 0 H LYS A 9 9.921 -4.679 -23.184 1.00 0.00 H new ATOM 0 HA LYS A 9 9.058 -6.701 -23.748 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.869 -7.712 -23.311 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.537 -8.691 -23.893 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.697 -6.184 -25.397 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.237 -7.019 -25.436 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.873 -9.156 -26.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.524 -8.076 -26.327 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.067 -6.759 -27.912 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.225 -8.064 -27.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.821 -8.379 -29.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.547 -9.618 -28.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.425 -8.353 -28.708 1.00 0.00 H new ATOM 133 N TYR A 10 10.421 -7.485 -20.855 1.00 0.00 N ATOM 134 CA TYR A 10 10.122 -8.021 -19.538 1.00 0.00 C ATOM 135 C TYR A 10 10.766 -7.170 -18.442 1.00 0.00 C ATOM 136 O TYR A 10 11.979 -6.971 -18.436 1.00 0.00 O ATOM 137 CB TYR A 10 10.734 -9.423 -19.504 1.00 0.00 C ATOM 138 CG TYR A 10 11.640 -9.735 -20.698 1.00 0.00 C ATOM 139 CD1 TYR A 10 11.093 -10.208 -21.874 1.00 0.00 C ATOM 140 CD2 TYR A 10 13.002 -9.546 -20.598 1.00 0.00 C ATOM 141 CE1 TYR A 10 11.944 -10.502 -22.997 1.00 0.00 C ATOM 142 CE2 TYR A 10 13.854 -9.840 -21.722 1.00 0.00 C ATOM 143 CZ TYR A 10 13.283 -10.304 -22.866 1.00 0.00 C ATOM 144 OH TYR A 10 14.088 -10.583 -23.926 1.00 0.00 O ATOM 0 H TYR A 10 11.398 -7.231 -21.000 1.00 0.00 H new ATOM 0 HA TYR A 10 9.046 -8.030 -19.362 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.309 -9.535 -18.585 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.930 -10.159 -19.469 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.026 -10.357 -21.951 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.430 -9.178 -19.677 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.528 -10.872 -23.923 1.00 0.00 H new ATOM 0 HE2 TYR A 10 14.922 -9.695 -21.658 1.00 0.00 H new ATOM 0 HH TYR A 10 15.020 -10.393 -23.688 1.00 0.00 H new ATOM 154 N TYR A 11 9.922 -6.689 -17.540 1.00 0.00 N ATOM 155 CA TYR A 11 10.393 -5.864 -16.440 1.00 0.00 C ATOM 156 C TYR A 11 9.858 -6.376 -15.102 1.00 0.00 C ATOM 157 O TYR A 11 9.002 -7.259 -15.067 1.00 0.00 O ATOM 158 CB TYR A 11 9.836 -4.463 -16.697 1.00 0.00 C ATOM 159 CG TYR A 11 10.900 -3.430 -17.075 1.00 0.00 C ATOM 160 CD1 TYR A 11 12.046 -3.829 -17.733 1.00 0.00 C ATOM 161 CD2 TYR A 11 10.714 -2.100 -16.758 1.00 0.00 C ATOM 162 CE1 TYR A 11 13.047 -2.857 -18.090 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.715 -1.127 -17.115 1.00 0.00 C ATOM 164 CZ TYR A 11 12.832 -1.554 -17.764 1.00 0.00 C ATOM 165 OH TYR A 11 13.778 -0.637 -18.099 1.00 0.00 O ATOM 0 H TYR A 11 8.916 -6.855 -17.549 1.00 0.00 H new ATOM 0 HA TYR A 11 11.482 -5.878 -16.388 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.097 -4.518 -17.497 1.00 0.00 H new ATOM 0 HB3 TYR A 11 9.314 -4.121 -15.803 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.192 -4.870 -17.980 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.818 -1.788 -16.242 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.948 -3.156 -18.605 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.582 -0.083 -16.873 1.00 0.00 H new ATOM 0 HH TYR A 11 13.490 0.252 -17.805 1.00 0.00 H new ATOM 175 N THR A 12 10.382 -5.798 -14.031 1.00 0.00 N ATOM 176 CA THR A 12 9.966 -6.185 -12.693 1.00 0.00 C ATOM 177 C THR A 12 9.121 -5.080 -12.058 1.00 0.00 C ATOM 178 O THR A 12 9.310 -3.900 -12.353 1.00 0.00 O ATOM 179 CB THR A 12 11.223 -6.528 -11.888 1.00 0.00 C ATOM 180 OG1 THR A 12 11.858 -5.269 -11.683 1.00 0.00 O ATOM 181 CG2 THR A 12 12.239 -7.330 -12.705 1.00 0.00 C ATOM 0 H THR A 12 11.091 -5.065 -14.062 1.00 0.00 H new ATOM 0 HA THR A 12 9.327 -7.067 -12.717 1.00 0.00 H new ATOM 0 HB THR A 12 10.943 -7.094 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.681 -5.398 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.111 -7.547 -12.089 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.785 -8.265 -13.034 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.545 -6.750 -13.575 1.00 0.00 H new ATOM 189 N LEU A 13 8.207 -5.501 -11.195 1.00 0.00 N ATOM 190 CA LEU A 13 7.331 -4.561 -10.515 1.00 0.00 C ATOM 191 C LEU A 13 8.173 -3.444 -9.894 1.00 0.00 C ATOM 192 O LEU A 13 7.767 -2.283 -9.892 1.00 0.00 O ATOM 193 CB LEU A 13 6.439 -5.292 -9.510 1.00 0.00 C ATOM 194 CG LEU A 13 5.016 -5.601 -9.976 1.00 0.00 C ATOM 195 CD1 LEU A 13 4.160 -6.119 -8.819 1.00 0.00 C ATOM 196 CD2 LEU A 13 4.385 -4.385 -10.657 1.00 0.00 C ATOM 0 H LEU A 13 8.054 -6.480 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 13 6.651 -4.090 -11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.923 -6.230 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.380 -4.691 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 13 5.066 -6.396 -10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.153 -6.331 -9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.602 -7.032 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.114 -5.364 -8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.373 -4.632 -10.979 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.349 -3.552 -9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.982 -4.103 -11.524 1.00 0.00 H new ATOM 208 N GLU A 14 9.329 -3.836 -9.379 1.00 0.00 N ATOM 209 CA GLU A 14 10.232 -2.882 -8.756 1.00 0.00 C ATOM 210 C GLU A 14 10.714 -1.857 -9.785 1.00 0.00 C ATOM 211 O GLU A 14 10.760 -0.661 -9.500 1.00 0.00 O ATOM 212 CB GLU A 14 11.414 -3.596 -8.098 1.00 0.00 C ATOM 213 CG GLU A 14 11.425 -3.358 -6.586 1.00 0.00 C ATOM 214 CD GLU A 14 11.844 -4.624 -5.836 1.00 0.00 C ATOM 215 OE1 GLU A 14 12.917 -5.162 -6.187 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.085 -5.024 -4.928 1.00 0.00 O ATOM 0 H GLU A 14 9.661 -4.800 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 14 9.688 -2.353 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.357 -4.665 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.347 -3.239 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.111 -2.545 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.434 -3.046 -6.256 1.00 0.00 H new ATOM 223 N GLU A 15 11.060 -2.363 -10.959 1.00 0.00 N ATOM 224 CA GLU A 15 11.538 -1.506 -12.032 1.00 0.00 C ATOM 225 C GLU A 15 10.455 -0.501 -12.430 1.00 0.00 C ATOM 226 O GLU A 15 10.743 0.676 -12.643 1.00 0.00 O ATOM 227 CB GLU A 15 11.987 -2.335 -13.236 1.00 0.00 C ATOM 228 CG GLU A 15 12.464 -1.431 -14.377 1.00 0.00 C ATOM 229 CD GLU A 15 13.593 -0.511 -13.910 1.00 0.00 C ATOM 230 OE1 GLU A 15 13.276 0.453 -13.180 1.00 0.00 O ATOM 231 OE2 GLU A 15 14.750 -0.792 -14.295 1.00 0.00 O ATOM 0 H GLU A 15 11.019 -3.355 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 15 12.405 -0.952 -11.671 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.792 -3.008 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.162 -2.958 -13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.809 -2.043 -15.211 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.631 -0.832 -14.745 1.00 0.00 H new ATOM 238 N ILE A 16 9.231 -1.002 -12.518 1.00 0.00 N ATOM 239 CA ILE A 16 8.104 -0.164 -12.887 1.00 0.00 C ATOM 240 C ILE A 16 7.771 0.775 -11.726 1.00 0.00 C ATOM 241 O ILE A 16 7.324 1.901 -11.941 1.00 0.00 O ATOM 242 CB ILE A 16 6.923 -1.023 -13.342 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.394 -2.174 -14.234 1.00 0.00 C ATOM 244 CG2 ILE A 16 5.854 -0.169 -14.027 1.00 0.00 C ATOM 245 CD1 ILE A 16 6.752 -3.496 -13.806 1.00 0.00 C ATOM 0 H ILE A 16 8.996 -1.978 -12.340 1.00 0.00 H new ATOM 0 HA ILE A 16 8.359 0.463 -13.741 1.00 0.00 H new ATOM 0 HB ILE A 16 6.464 -1.466 -12.458 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.140 -1.962 -15.273 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.479 -2.259 -14.182 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.026 -0.805 -14.340 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.489 0.585 -13.330 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.285 0.322 -14.900 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.103 -4.298 -14.455 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.028 -3.717 -12.775 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.668 -3.415 -13.882 1.00 0.00 H new ATOM 257 N GLN A 17 8.000 0.276 -10.520 1.00 0.00 N ATOM 258 CA GLN A 17 7.728 1.056 -9.325 1.00 0.00 C ATOM 259 C GLN A 17 8.482 2.386 -9.377 1.00 0.00 C ATOM 260 O GLN A 17 7.944 3.425 -8.997 1.00 0.00 O ATOM 261 CB GLN A 17 8.092 0.269 -8.063 1.00 0.00 C ATOM 262 CG GLN A 17 7.122 0.587 -6.922 1.00 0.00 C ATOM 263 CD GLN A 17 7.823 1.370 -5.810 1.00 0.00 C ATOM 264 OE1 GLN A 17 8.920 1.047 -5.384 1.00 0.00 O ATOM 265 NE2 GLN A 17 7.131 2.414 -5.365 1.00 0.00 N ATOM 0 H GLN A 17 8.371 -0.658 -10.345 1.00 0.00 H new ATOM 0 HA GLN A 17 6.659 1.267 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.070 -0.800 -8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.110 0.512 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.281 1.166 -7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.714 -0.339 -6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.218 2.629 -5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.513 3.000 -4.623 1.00 0.00 H new ATOM 274 N LYS A 18 9.719 2.312 -9.848 1.00 0.00 N ATOM 275 CA LYS A 18 10.551 3.497 -9.955 1.00 0.00 C ATOM 276 C LYS A 18 9.993 4.412 -11.046 1.00 0.00 C ATOM 277 O LYS A 18 10.161 5.629 -10.987 1.00 0.00 O ATOM 278 CB LYS A 18 12.015 3.106 -10.171 1.00 0.00 C ATOM 279 CG LYS A 18 12.493 2.148 -9.077 1.00 0.00 C ATOM 280 CD LYS A 18 14.000 1.899 -9.188 1.00 0.00 C ATOM 281 CE LYS A 18 14.756 2.598 -8.057 1.00 0.00 C ATOM 282 NZ LYS A 18 16.083 3.055 -8.526 1.00 0.00 N ATOM 0 H LYS A 18 10.164 1.449 -10.160 1.00 0.00 H new ATOM 0 HA LYS A 18 10.529 4.062 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.129 2.635 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.638 4.001 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.260 2.564 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.957 1.202 -9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.199 0.828 -9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.362 2.261 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.178 3.449 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.876 1.915 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.583 3.527 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.638 2.237 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.962 3.723 -9.314 1.00 0.00 H new ATOM 296 N HIS A 19 9.339 3.792 -12.016 1.00 0.00 N ATOM 297 CA HIS A 19 8.753 4.535 -13.119 1.00 0.00 C ATOM 298 C HIS A 19 7.414 5.131 -12.684 1.00 0.00 C ATOM 299 O HIS A 19 6.355 4.613 -13.036 1.00 0.00 O ATOM 300 CB HIS A 19 8.633 3.654 -14.365 1.00 0.00 C ATOM 301 CG HIS A 19 9.959 3.203 -14.929 1.00 0.00 C ATOM 302 ND1 HIS A 19 10.871 4.080 -15.490 1.00 0.00 N ATOM 303 CD2 HIS A 19 10.516 1.961 -15.013 1.00 0.00 C ATOM 304 CE1 HIS A 19 11.926 3.387 -15.891 1.00 0.00 C ATOM 305 NE2 HIS A 19 11.704 2.073 -15.595 1.00 0.00 N ATOM 0 H HIS A 19 9.201 2.782 -12.062 1.00 0.00 H new ATOM 0 HA HIS A 19 9.408 5.363 -13.392 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.036 2.775 -14.120 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.090 4.203 -15.135 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.067 1.042 -14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.807 3.790 -16.368 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.345 1.304 -15.789 1.00 0.00 H new ATOM 314 N ASN A 20 7.503 6.211 -11.922 1.00 0.00 N ATOM 315 CA ASN A 20 6.312 6.884 -11.433 1.00 0.00 C ATOM 316 C ASN A 20 6.462 8.393 -11.638 1.00 0.00 C ATOM 317 O ASN A 20 5.683 9.177 -11.098 1.00 0.00 O ATOM 318 CB ASN A 20 6.108 6.627 -9.939 1.00 0.00 C ATOM 319 CG ASN A 20 5.015 7.536 -9.370 1.00 0.00 C ATOM 320 OD1 ASN A 20 5.252 8.371 -8.512 1.00 0.00 O ATOM 321 ND2 ASN A 20 3.811 7.328 -9.895 1.00 0.00 N ATOM 0 H ASN A 20 8.383 6.637 -11.631 1.00 0.00 H new ATOM 0 HA ASN A 20 5.456 6.497 -11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.837 5.583 -9.780 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.043 6.799 -9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.015 7.884 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.683 6.612 -10.610 1.00 0.00 H new ATOM 328 N ASN A 21 7.470 8.754 -12.418 1.00 0.00 N ATOM 329 CA ASN A 21 7.733 10.155 -12.700 1.00 0.00 C ATOM 330 C ASN A 21 7.228 10.492 -14.104 1.00 0.00 C ATOM 331 O ASN A 21 7.302 9.662 -15.010 1.00 0.00 O ATOM 332 CB ASN A 21 9.233 10.453 -12.653 1.00 0.00 C ATOM 333 CG ASN A 21 9.847 9.978 -11.335 1.00 0.00 C ATOM 334 OD1 ASN A 21 9.174 9.811 -10.332 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.159 9.767 -11.395 1.00 0.00 N ATOM 0 H ASN A 21 8.114 8.101 -12.864 1.00 0.00 H new ATOM 0 HA ASN A 21 7.222 10.753 -11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.731 9.961 -13.488 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.398 11.524 -12.770 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.662 9.445 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.662 9.927 -12.268 1.00 0.00 H new ATOM 342 N SER A 22 6.725 11.710 -14.241 1.00 0.00 N ATOM 343 CA SER A 22 6.207 12.167 -15.519 1.00 0.00 C ATOM 344 C SER A 22 7.298 12.076 -16.588 1.00 0.00 C ATOM 345 O SER A 22 7.026 12.256 -17.774 1.00 0.00 O ATOM 346 CB SER A 22 5.679 13.599 -15.421 1.00 0.00 C ATOM 347 OG SER A 22 6.679 14.506 -14.963 1.00 0.00 O ATOM 0 H SER A 22 6.665 12.395 -13.487 1.00 0.00 H new ATOM 0 HA SER A 22 5.375 11.521 -15.801 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.318 13.920 -16.398 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.827 13.626 -14.742 1.00 0.00 H new ATOM 0 HG SER A 22 6.304 15.410 -14.915 1.00 0.00 H new ATOM 353 N LYS A 23 8.510 11.799 -16.130 1.00 0.00 N ATOM 354 CA LYS A 23 9.642 11.681 -17.032 1.00 0.00 C ATOM 355 C LYS A 23 9.657 10.281 -17.646 1.00 0.00 C ATOM 356 O LYS A 23 10.007 10.115 -18.815 1.00 0.00 O ATOM 357 CB LYS A 23 10.941 12.051 -16.312 1.00 0.00 C ATOM 358 CG LYS A 23 11.439 13.429 -16.751 1.00 0.00 C ATOM 359 CD LYS A 23 12.810 13.735 -16.146 1.00 0.00 C ATOM 360 CE LYS A 23 13.516 14.849 -16.921 1.00 0.00 C ATOM 361 NZ LYS A 23 14.968 14.577 -17.015 1.00 0.00 N ATOM 0 H LYS A 23 8.732 11.653 -15.145 1.00 0.00 H new ATOM 0 HA LYS A 23 9.548 12.389 -17.856 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.778 12.046 -15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.704 11.301 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.501 13.468 -17.839 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.724 14.193 -16.445 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.693 14.030 -15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.425 12.835 -16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.090 14.930 -17.921 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.351 15.806 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.431 15.343 -17.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.374 14.522 -16.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.121 13.674 -17.508 1.00 0.00 H new ATOM 375 N SER A 24 9.273 9.307 -16.833 1.00 0.00 N ATOM 376 CA SER A 24 9.238 7.927 -17.283 1.00 0.00 C ATOM 377 C SER A 24 8.102 7.178 -16.585 1.00 0.00 C ATOM 378 O SER A 24 8.337 6.183 -15.901 1.00 0.00 O ATOM 379 CB SER A 24 10.573 7.228 -17.022 1.00 0.00 C ATOM 380 OG SER A 24 11.581 7.640 -17.941 1.00 0.00 O ATOM 0 H SER A 24 8.984 9.447 -15.865 1.00 0.00 H new ATOM 0 HA SER A 24 9.061 7.923 -18.359 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.901 7.442 -16.005 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.437 6.149 -17.093 1.00 0.00 H new ATOM 0 HG SER A 24 11.243 8.381 -18.486 1.00 0.00 H new ATOM 386 N THR A 25 6.893 7.684 -16.782 1.00 0.00 N ATOM 387 CA THR A 25 5.719 7.076 -16.181 1.00 0.00 C ATOM 388 C THR A 25 5.419 5.728 -16.839 1.00 0.00 C ATOM 389 O THR A 25 5.075 5.671 -18.019 1.00 0.00 O ATOM 390 CB THR A 25 4.563 8.074 -16.285 1.00 0.00 C ATOM 391 OG1 THR A 25 5.162 9.330 -15.982 1.00 0.00 O ATOM 392 CG2 THR A 25 3.521 7.880 -15.182 1.00 0.00 C ATOM 0 H THR A 25 6.702 8.509 -17.350 1.00 0.00 H new ATOM 0 HA THR A 25 5.884 6.857 -15.126 1.00 0.00 H new ATOM 0 HB THR A 25 4.082 7.974 -17.258 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.294 9.838 -16.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.723 8.613 -15.302 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.104 6.875 -15.248 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.993 8.013 -14.208 1.00 0.00 H new ATOM 400 N TRP A 26 5.563 4.675 -16.049 1.00 0.00 N ATOM 401 CA TRP A 26 5.312 3.330 -16.539 1.00 0.00 C ATOM 402 C TRP A 26 4.372 2.633 -15.554 1.00 0.00 C ATOM 403 O TRP A 26 4.344 2.972 -14.372 1.00 0.00 O ATOM 404 CB TRP A 26 6.622 2.571 -16.753 1.00 0.00 C ATOM 405 CG TRP A 26 7.508 3.153 -17.857 1.00 0.00 C ATOM 406 CD1 TRP A 26 8.590 3.931 -17.723 1.00 0.00 C ATOM 407 CD2 TRP A 26 7.339 2.971 -19.279 1.00 0.00 C ATOM 408 NE1 TRP A 26 9.130 4.263 -18.949 1.00 0.00 N ATOM 409 CE2 TRP A 26 8.345 3.659 -19.925 1.00 0.00 C ATOM 410 CE3 TRP A 26 6.368 2.247 -19.995 1.00 0.00 C ATOM 411 CZ2 TRP A 26 8.478 3.693 -21.318 1.00 0.00 C ATOM 412 CZ3 TRP A 26 6.517 2.292 -21.386 1.00 0.00 C ATOM 413 CH2 TRP A 26 7.523 2.980 -22.053 1.00 0.00 C ATOM 0 H TRP A 26 5.851 4.726 -15.072 1.00 0.00 H new ATOM 0 HA TRP A 26 4.830 3.361 -17.516 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.182 2.564 -15.818 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.393 1.533 -16.995 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.990 4.258 -16.774 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.953 4.844 -19.109 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.572 1.701 -19.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.275 4.240 -21.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.798 1.753 -21.984 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.568 2.965 -23.132 1.00 0.00 H new ATOM 424 N LEU A 27 3.623 1.674 -16.077 1.00 0.00 N ATOM 425 CA LEU A 27 2.683 0.926 -15.259 1.00 0.00 C ATOM 426 C LEU A 27 2.398 -0.423 -15.920 1.00 0.00 C ATOM 427 O LEU A 27 2.896 -0.702 -17.009 1.00 0.00 O ATOM 428 CB LEU A 27 1.428 1.759 -14.990 1.00 0.00 C ATOM 429 CG LEU A 27 0.368 1.750 -16.094 1.00 0.00 C ATOM 430 CD1 LEU A 27 1.018 1.655 -17.476 1.00 0.00 C ATOM 431 CD2 LEU A 27 -0.654 0.635 -15.865 1.00 0.00 C ATOM 0 H LEU A 27 3.648 1.397 -17.058 1.00 0.00 H new ATOM 0 HA LEU A 27 3.113 0.715 -14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.968 1.400 -14.069 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.732 2.791 -14.814 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.173 2.695 -16.055 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.243 1.650 -18.243 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.675 2.511 -17.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.600 0.735 -17.542 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.395 0.651 -16.664 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.146 -0.329 -15.861 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.150 0.787 -14.906 1.00 0.00 H new ATOM 443 N ILE A 28 1.596 -1.224 -15.233 1.00 0.00 N ATOM 444 CA ILE A 28 1.237 -2.538 -15.740 1.00 0.00 C ATOM 445 C ILE A 28 -0.247 -2.550 -16.110 1.00 0.00 C ATOM 446 O ILE A 28 -1.088 -2.100 -15.331 1.00 0.00 O ATOM 447 CB ILE A 28 1.630 -3.625 -14.738 1.00 0.00 C ATOM 448 CG1 ILE A 28 2.621 -3.084 -13.704 1.00 0.00 C ATOM 449 CG2 ILE A 28 2.170 -4.863 -15.456 1.00 0.00 C ATOM 450 CD1 ILE A 28 4.061 -3.212 -14.207 1.00 0.00 C ATOM 0 H ILE A 28 1.185 -0.988 -14.330 1.00 0.00 H new ATOM 0 HA ILE A 28 1.794 -2.760 -16.650 1.00 0.00 H new ATOM 0 HB ILE A 28 0.735 -3.932 -14.197 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.397 -2.038 -13.493 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.509 -3.630 -12.767 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.442 -5.620 -14.721 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.403 -5.261 -16.121 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.050 -4.591 -16.039 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.745 -2.821 -13.454 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.289 -4.261 -14.394 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.175 -2.645 -15.131 1.00 0.00 H new ATOM 462 N LEU A 29 -0.524 -3.068 -17.296 1.00 0.00 N ATOM 463 CA LEU A 29 -1.894 -3.144 -17.778 1.00 0.00 C ATOM 464 C LEU A 29 -2.151 -4.540 -18.351 1.00 0.00 C ATOM 465 O LEU A 29 -1.546 -4.926 -19.348 1.00 0.00 O ATOM 466 CB LEU A 29 -2.178 -2.011 -18.767 1.00 0.00 C ATOM 467 CG LEU A 29 -3.511 -1.284 -18.588 1.00 0.00 C ATOM 468 CD1 LEU A 29 -3.972 -0.652 -19.902 1.00 0.00 C ATOM 469 CD2 LEU A 29 -4.571 -2.217 -17.998 1.00 0.00 C ATOM 0 H LEU A 29 0.176 -3.440 -17.939 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.596 -3.002 -16.956 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.374 -1.279 -18.691 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.142 -2.419 -19.777 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.363 -0.473 -17.875 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.922 -0.141 -19.746 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.226 0.066 -20.242 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.097 -1.430 -20.656 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.509 -1.674 -17.881 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.723 -3.064 -18.667 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.237 -2.578 -17.025 1.00 0.00 H new ATOM 481 N HIS A 30 -3.051 -5.256 -17.693 1.00 0.00 N ATOM 482 CA HIS A 30 -3.395 -6.601 -18.124 1.00 0.00 C ATOM 483 C HIS A 30 -2.259 -7.561 -17.771 1.00 0.00 C ATOM 484 O HIS A 30 -2.500 -8.724 -17.449 1.00 0.00 O ATOM 485 CB HIS A 30 -3.747 -6.621 -19.613 1.00 0.00 C ATOM 486 CG HIS A 30 -4.366 -7.915 -20.082 1.00 0.00 C ATOM 487 ND1 HIS A 30 -3.612 -9.010 -20.469 1.00 0.00 N ATOM 488 CD2 HIS A 30 -5.674 -8.281 -20.220 1.00 0.00 C ATOM 489 CE1 HIS A 30 -4.438 -9.983 -20.824 1.00 0.00 C ATOM 490 NE2 HIS A 30 -5.716 -9.529 -20.668 1.00 0.00 N ATOM 0 H HIS A 30 -3.552 -4.931 -16.866 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.286 -6.939 -17.594 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.437 -5.803 -19.823 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.843 -6.432 -20.192 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.530 -7.660 -20.001 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.151 -10.963 -21.175 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.564 -10.062 -20.864 1.00 0.00 H new ATOM 499 N TYR A 31 -1.043 -7.039 -17.843 1.00 0.00 N ATOM 500 CA TYR A 31 0.133 -7.836 -17.535 1.00 0.00 C ATOM 501 C TYR A 31 1.368 -7.290 -18.253 1.00 0.00 C ATOM 502 O TYR A 31 2.488 -7.728 -17.989 1.00 0.00 O ATOM 503 CB TYR A 31 -0.163 -9.243 -18.055 1.00 0.00 C ATOM 504 CG TYR A 31 1.074 -10.001 -18.541 1.00 0.00 C ATOM 505 CD1 TYR A 31 2.025 -10.422 -17.635 1.00 0.00 C ATOM 506 CD2 TYR A 31 1.239 -10.264 -19.885 1.00 0.00 C ATOM 507 CE1 TYR A 31 3.190 -11.135 -18.092 1.00 0.00 C ATOM 508 CE2 TYR A 31 2.402 -10.976 -20.343 1.00 0.00 C ATOM 509 CZ TYR A 31 3.322 -11.377 -19.424 1.00 0.00 C ATOM 510 OH TYR A 31 4.421 -12.050 -19.855 1.00 0.00 O ATOM 0 H TYR A 31 -0.847 -6.074 -18.110 1.00 0.00 H new ATOM 0 HA TYR A 31 0.337 -7.820 -16.464 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.641 -9.819 -17.262 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.879 -9.173 -18.874 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.896 -10.217 -16.583 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.494 -9.935 -20.594 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.942 -11.470 -17.393 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.542 -11.188 -21.393 1.00 0.00 H new ATOM 0 HH TYR A 31 4.381 -12.152 -20.829 1.00 0.00 H new ATOM 520 N LYS A 32 1.124 -6.341 -19.144 1.00 0.00 N ATOM 521 CA LYS A 32 2.205 -5.730 -19.902 1.00 0.00 C ATOM 522 C LYS A 32 2.554 -4.376 -19.281 1.00 0.00 C ATOM 523 O LYS A 32 1.831 -3.879 -18.420 1.00 0.00 O ATOM 524 CB LYS A 32 1.839 -5.652 -21.386 1.00 0.00 C ATOM 525 CG LYS A 32 1.838 -7.042 -22.025 1.00 0.00 C ATOM 526 CD LYS A 32 0.479 -7.354 -22.655 1.00 0.00 C ATOM 527 CE LYS A 32 0.639 -7.814 -24.105 1.00 0.00 C ATOM 528 NZ LYS A 32 0.102 -9.183 -24.277 1.00 0.00 N ATOM 0 H LYS A 32 0.195 -5.980 -19.359 1.00 0.00 H new ATOM 0 HA LYS A 32 3.104 -6.345 -19.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.855 -5.196 -21.498 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.549 -5.009 -21.906 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.617 -7.097 -22.786 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.075 -7.793 -21.271 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.024 -8.129 -22.077 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.155 -6.468 -22.619 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.117 -7.126 -24.771 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.692 -7.792 -24.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.219 -9.480 -25.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.618 -9.839 -23.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.908 -9.193 -24.029 1.00 0.00 H new ATOM 542 N VAL A 33 3.663 -3.819 -19.745 1.00 0.00 N ATOM 543 CA VAL A 33 4.118 -2.532 -19.245 1.00 0.00 C ATOM 544 C VAL A 33 3.885 -1.465 -20.316 1.00 0.00 C ATOM 545 O VAL A 33 4.354 -1.598 -21.444 1.00 0.00 O ATOM 546 CB VAL A 33 5.581 -2.628 -18.805 1.00 0.00 C ATOM 547 CG1 VAL A 33 6.054 -1.312 -18.187 1.00 0.00 C ATOM 548 CG2 VAL A 33 5.786 -3.795 -17.837 1.00 0.00 C ATOM 0 H VAL A 33 4.259 -4.234 -20.461 1.00 0.00 H new ATOM 0 HA VAL A 33 3.547 -2.240 -18.364 1.00 0.00 H new ATOM 0 HB VAL A 33 6.187 -2.818 -19.691 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.096 -1.407 -17.883 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.962 -0.511 -18.921 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.442 -1.078 -17.316 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.834 -3.841 -17.540 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.164 -3.649 -16.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.506 -4.728 -18.327 1.00 0.00 H new ATOM 558 N TYR A 34 3.160 -0.427 -19.923 1.00 0.00 N ATOM 559 CA TYR A 34 2.860 0.664 -20.835 1.00 0.00 C ATOM 560 C TYR A 34 3.444 1.982 -20.324 1.00 0.00 C ATOM 561 O TYR A 34 3.564 2.186 -19.116 1.00 0.00 O ATOM 562 CB TYR A 34 1.334 0.776 -20.870 1.00 0.00 C ATOM 563 CG TYR A 34 0.618 -0.553 -21.120 1.00 0.00 C ATOM 564 CD1 TYR A 34 0.755 -1.590 -20.220 1.00 0.00 C ATOM 565 CD2 TYR A 34 -0.165 -0.715 -22.245 1.00 0.00 C ATOM 566 CE1 TYR A 34 0.082 -2.842 -20.455 1.00 0.00 C ATOM 567 CE2 TYR A 34 -0.838 -1.966 -22.480 1.00 0.00 C ATOM 568 CZ TYR A 34 -0.682 -2.968 -21.574 1.00 0.00 C ATOM 569 OH TYR A 34 -1.318 -4.149 -21.797 1.00 0.00 O ATOM 0 H TYR A 34 2.772 -0.319 -18.986 1.00 0.00 H new ATOM 0 HA TYR A 34 3.288 0.471 -21.819 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.989 1.190 -19.923 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.050 1.482 -21.650 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.367 -1.463 -19.339 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.273 0.097 -22.949 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.182 -3.662 -19.759 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.453 -2.105 -23.357 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.248 -4.714 -20.999 1.00 0.00 H new ATOM 579 N ASP A 35 3.792 2.845 -21.269 1.00 0.00 N ATOM 580 CA ASP A 35 4.360 4.138 -20.929 1.00 0.00 C ATOM 581 C ASP A 35 3.229 5.140 -20.690 1.00 0.00 C ATOM 582 O ASP A 35 2.709 5.732 -21.635 1.00 0.00 O ATOM 583 CB ASP A 35 5.231 4.672 -22.066 1.00 0.00 C ATOM 584 CG ASP A 35 4.911 4.103 -23.450 1.00 0.00 C ATOM 585 OD1 ASP A 35 4.033 4.693 -24.116 1.00 0.00 O ATOM 586 OD2 ASP A 35 5.548 3.090 -23.810 1.00 0.00 O ATOM 0 H ASP A 35 3.691 2.673 -22.269 1.00 0.00 H new ATOM 0 HA ASP A 35 4.970 4.014 -20.034 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.128 5.756 -22.103 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.275 4.459 -21.835 1.00 0.00 H new ATOM 591 N LEU A 36 2.881 5.300 -19.422 1.00 0.00 N ATOM 592 CA LEU A 36 1.822 6.220 -19.046 1.00 0.00 C ATOM 593 C LEU A 36 2.224 7.643 -19.443 1.00 0.00 C ATOM 594 O LEU A 36 1.369 8.464 -19.771 1.00 0.00 O ATOM 595 CB LEU A 36 1.480 6.069 -17.562 1.00 0.00 C ATOM 596 CG LEU A 36 0.582 4.884 -17.199 1.00 0.00 C ATOM 597 CD1 LEU A 36 -0.139 5.132 -15.873 1.00 0.00 C ATOM 598 CD2 LEU A 36 -0.393 4.568 -18.332 1.00 0.00 C ATOM 0 H LEU A 36 3.314 4.807 -18.641 1.00 0.00 H new ATOM 0 HA LEU A 36 0.904 5.984 -19.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.411 5.979 -17.002 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.993 6.985 -17.226 1.00 0.00 H new ATOM 0 HG LEU A 36 1.212 4.005 -17.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.771 4.276 -15.637 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.596 5.271 -15.080 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.756 6.027 -15.956 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.019 3.722 -18.048 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.022 5.437 -18.523 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.166 4.319 -19.234 1.00 0.00 H new ATOM 610 N THR A 37 3.525 7.890 -19.398 1.00 0.00 N ATOM 611 CA THR A 37 4.051 9.199 -19.749 1.00 0.00 C ATOM 612 C THR A 37 3.704 9.542 -21.199 1.00 0.00 C ATOM 613 O THR A 37 3.499 10.708 -21.533 1.00 0.00 O ATOM 614 CB THR A 37 5.555 9.194 -19.468 1.00 0.00 C ATOM 615 OG1 THR A 37 5.688 9.969 -18.278 1.00 0.00 O ATOM 616 CG2 THR A 37 6.347 9.980 -20.514 1.00 0.00 C ATOM 0 H THR A 37 4.231 7.206 -19.124 1.00 0.00 H new ATOM 0 HA THR A 37 3.595 9.984 -19.145 1.00 0.00 H new ATOM 0 HB THR A 37 5.916 8.166 -19.436 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.174 10.796 -18.479 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.408 9.945 -20.268 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.188 9.539 -21.498 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.010 11.017 -20.522 1.00 0.00 H new ATOM 624 N LYS A 38 3.648 8.504 -22.022 1.00 0.00 N ATOM 625 CA LYS A 38 3.330 8.683 -23.428 1.00 0.00 C ATOM 626 C LYS A 38 1.813 8.784 -23.594 1.00 0.00 C ATOM 627 O LYS A 38 1.317 8.969 -24.705 1.00 0.00 O ATOM 628 CB LYS A 38 3.966 7.571 -24.266 1.00 0.00 C ATOM 629 CG LYS A 38 5.121 8.113 -25.110 1.00 0.00 C ATOM 630 CD LYS A 38 4.772 8.082 -26.600 1.00 0.00 C ATOM 631 CE LYS A 38 5.908 8.668 -27.440 1.00 0.00 C ATOM 632 NZ LYS A 38 5.672 8.413 -28.880 1.00 0.00 N ATOM 0 H LYS A 38 3.817 7.538 -21.742 1.00 0.00 H new ATOM 0 HA LYS A 38 3.755 9.615 -23.799 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.330 6.780 -23.611 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.213 7.125 -24.916 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.349 9.135 -24.807 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.017 7.520 -24.930 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.577 7.055 -26.910 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.856 8.647 -26.775 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.984 9.741 -27.262 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.857 8.227 -27.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.452 8.817 -29.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.622 7.388 -29.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.776 8.855 -29.168 1.00 0.00 H new ATOM 646 N PHE A 39 1.117 8.661 -22.473 1.00 0.00 N ATOM 647 CA PHE A 39 -0.334 8.738 -22.481 1.00 0.00 C ATOM 648 C PHE A 39 -0.839 9.677 -21.383 1.00 0.00 C ATOM 649 O PHE A 39 -2.043 9.776 -21.152 1.00 0.00 O ATOM 650 CB PHE A 39 -0.858 7.326 -22.209 1.00 0.00 C ATOM 651 CG PHE A 39 -2.366 7.173 -22.412 1.00 0.00 C ATOM 652 CD1 PHE A 39 -2.998 7.883 -23.385 1.00 0.00 C ATOM 653 CD2 PHE A 39 -3.077 6.325 -21.620 1.00 0.00 C ATOM 654 CE1 PHE A 39 -4.397 7.740 -23.573 1.00 0.00 C ATOM 655 CE2 PHE A 39 -4.476 6.182 -21.808 1.00 0.00 C ATOM 656 CZ PHE A 39 -5.107 6.893 -22.781 1.00 0.00 C ATOM 0 H PHE A 39 1.531 8.509 -21.553 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.681 9.123 -23.440 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.341 6.625 -22.864 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.609 7.048 -21.185 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.435 8.556 -24.015 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.576 5.760 -20.848 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.898 8.304 -24.346 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.040 5.509 -21.179 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.172 6.785 -22.924 1.00 0.00 H new ATOM 666 N LEU A 40 0.106 10.343 -20.737 1.00 0.00 N ATOM 667 CA LEU A 40 -0.228 11.269 -19.669 1.00 0.00 C ATOM 668 C LEU A 40 -1.178 12.341 -20.208 1.00 0.00 C ATOM 669 O LEU A 40 -2.351 12.376 -19.841 1.00 0.00 O ATOM 670 CB LEU A 40 1.044 11.839 -19.037 1.00 0.00 C ATOM 671 CG LEU A 40 1.615 11.054 -17.854 1.00 0.00 C ATOM 672 CD1 LEU A 40 2.955 11.637 -17.404 1.00 0.00 C ATOM 673 CD2 LEU A 40 0.605 10.983 -16.706 1.00 0.00 C ATOM 0 H LEU A 40 1.104 10.260 -20.933 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.752 10.751 -18.866 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.811 11.904 -19.808 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.837 12.857 -18.706 1.00 0.00 H new ATOM 0 HG LEU A 40 1.804 10.032 -18.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.338 11.060 -16.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.667 11.592 -18.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.817 12.675 -17.100 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.035 10.420 -15.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.362 11.992 -16.372 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.302 10.487 -17.050 1.00 0.00 H new ATOM 685 N GLU A 41 -0.637 13.187 -21.073 1.00 0.00 N ATOM 686 CA GLU A 41 -1.421 14.255 -21.666 1.00 0.00 C ATOM 687 C GLU A 41 -2.853 13.780 -21.927 1.00 0.00 C ATOM 688 O GLU A 41 -3.807 14.367 -21.418 1.00 0.00 O ATOM 689 CB GLU A 41 -0.771 14.765 -22.953 1.00 0.00 C ATOM 690 CG GLU A 41 0.061 16.021 -22.688 1.00 0.00 C ATOM 691 CD GLU A 41 0.202 16.865 -23.956 1.00 0.00 C ATOM 692 OE1 GLU A 41 -0.676 17.730 -24.163 1.00 0.00 O ATOM 693 OE2 GLU A 41 1.184 16.624 -24.691 1.00 0.00 O ATOM 0 H GLU A 41 0.336 13.153 -21.377 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.456 15.086 -20.962 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.136 13.987 -23.377 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.542 14.985 -23.691 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.409 16.614 -21.903 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.049 15.737 -22.325 1.00 0.00 H new ATOM 700 N GLU A 42 -2.957 12.723 -22.718 1.00 0.00 N ATOM 701 CA GLU A 42 -4.255 12.162 -23.051 1.00 0.00 C ATOM 702 C GLU A 42 -5.028 11.818 -21.777 1.00 0.00 C ATOM 703 O GLU A 42 -4.676 12.275 -20.690 1.00 0.00 O ATOM 704 CB GLU A 42 -4.107 10.935 -23.951 1.00 0.00 C ATOM 705 CG GLU A 42 -5.113 10.974 -25.104 1.00 0.00 C ATOM 706 CD GLU A 42 -4.593 10.193 -26.313 1.00 0.00 C ATOM 707 OE1 GLU A 42 -3.435 10.457 -26.704 1.00 0.00 O ATOM 708 OE2 GLU A 42 -5.365 9.352 -26.819 1.00 0.00 O ATOM 0 H GLU A 42 -2.163 12.240 -23.138 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.821 12.911 -23.604 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.093 10.893 -24.350 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.257 10.029 -23.364 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.064 10.553 -24.776 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.304 12.008 -25.390 1.00 0.00 H new ATOM 715 N HIS A 43 -6.068 11.016 -21.952 1.00 0.00 N ATOM 716 CA HIS A 43 -6.893 10.604 -20.828 1.00 0.00 C ATOM 717 C HIS A 43 -7.829 11.749 -20.434 1.00 0.00 C ATOM 718 O HIS A 43 -7.426 12.911 -20.429 1.00 0.00 O ATOM 719 CB HIS A 43 -6.027 10.119 -19.665 1.00 0.00 C ATOM 720 CG HIS A 43 -6.654 9.012 -18.852 1.00 0.00 C ATOM 721 ND1 HIS A 43 -7.485 9.252 -17.773 1.00 0.00 N ATOM 722 CD2 HIS A 43 -6.562 7.656 -18.974 1.00 0.00 C ATOM 723 CE1 HIS A 43 -7.870 8.088 -17.273 1.00 0.00 C ATOM 724 NE2 HIS A 43 -7.296 7.099 -18.019 1.00 0.00 N ATOM 0 H HIS A 43 -6.359 10.640 -22.855 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.513 9.756 -21.119 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.071 9.771 -20.057 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.814 10.962 -19.008 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.756 10.171 -17.422 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.989 7.126 -19.721 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.523 7.946 -16.425 1.00 0.00 H new ATOM 733 N PRO A 44 -9.092 11.370 -20.105 1.00 0.00 N ATOM 734 CA PRO A 44 -10.090 12.352 -19.709 1.00 0.00 C ATOM 735 C PRO A 44 -9.831 12.852 -18.287 1.00 0.00 C ATOM 736 O PRO A 44 -9.942 14.048 -18.015 1.00 0.00 O ATOM 737 CB PRO A 44 -11.424 11.638 -19.855 1.00 0.00 C ATOM 738 CG PRO A 44 -11.101 10.152 -19.877 1.00 0.00 C ATOM 739 CD PRO A 44 -9.606 10.003 -20.099 1.00 0.00 C ATOM 0 HA PRO A 44 -10.065 13.250 -20.326 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.090 11.881 -19.027 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.931 11.941 -20.771 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.396 9.683 -18.938 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.656 9.652 -20.671 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.146 9.411 -19.308 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.394 9.497 -21.041 1.00 0.00 H new ATOM 747 N GLY A 45 -9.492 11.914 -17.415 1.00 0.00 N ATOM 748 CA GLY A 45 -9.218 12.245 -16.027 1.00 0.00 C ATOM 749 C GLY A 45 -8.035 13.210 -15.918 1.00 0.00 C ATOM 750 O GLY A 45 -8.078 14.164 -15.141 1.00 0.00 O ATOM 0 H GLY A 45 -9.401 10.924 -17.643 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.102 12.695 -15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.002 11.335 -15.468 1.00 0.00 H new ATOM 754 N GLY A 46 -7.009 12.931 -16.707 1.00 0.00 N ATOM 755 CA GLY A 46 -5.817 13.764 -16.709 1.00 0.00 C ATOM 756 C GLY A 46 -4.550 12.907 -16.739 1.00 0.00 C ATOM 757 O GLY A 46 -4.570 11.779 -17.231 1.00 0.00 O ATOM 0 H GLY A 46 -6.977 12.140 -17.350 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.833 14.426 -17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.811 14.398 -15.823 1.00 0.00 H new ATOM 761 N GLU A 47 -3.478 13.474 -16.205 1.00 0.00 N ATOM 762 CA GLU A 47 -2.204 12.776 -16.164 1.00 0.00 C ATOM 763 C GLU A 47 -2.092 11.951 -14.881 1.00 0.00 C ATOM 764 O GLU A 47 -1.692 10.789 -14.918 1.00 0.00 O ATOM 765 CB GLU A 47 -1.038 13.757 -16.289 1.00 0.00 C ATOM 766 CG GLU A 47 -1.031 14.428 -17.665 1.00 0.00 C ATOM 767 CD GLU A 47 -1.645 15.826 -17.597 1.00 0.00 C ATOM 768 OE1 GLU A 47 -2.785 15.921 -17.090 1.00 0.00 O ATOM 769 OE2 GLU A 47 -0.964 16.770 -18.051 1.00 0.00 O ATOM 0 H GLU A 47 -3.465 14.409 -15.797 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.156 12.096 -17.015 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.112 14.516 -15.510 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.097 13.230 -16.132 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.008 14.494 -18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.588 13.816 -18.374 1.00 0.00 H new ATOM 776 N GLU A 48 -2.451 12.586 -13.773 1.00 0.00 N ATOM 777 CA GLU A 48 -2.395 11.926 -12.481 1.00 0.00 C ATOM 778 C GLU A 48 -3.150 10.595 -12.531 1.00 0.00 C ATOM 779 O GLU A 48 -2.742 9.622 -11.898 1.00 0.00 O ATOM 780 CB GLU A 48 -2.949 12.830 -11.378 1.00 0.00 C ATOM 781 CG GLU A 48 -1.937 12.991 -10.241 1.00 0.00 C ATOM 782 CD GLU A 48 -2.341 14.134 -9.307 1.00 0.00 C ATOM 783 OE1 GLU A 48 -3.347 13.951 -8.587 1.00 0.00 O ATOM 784 OE2 GLU A 48 -1.635 15.165 -9.333 1.00 0.00 O ATOM 0 H GLU A 48 -2.782 13.551 -13.745 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.351 11.720 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.194 13.808 -11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.875 12.408 -10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.868 12.061 -9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.948 13.187 -10.655 1.00 0.00 H new ATOM 791 N VAL A 49 -4.238 10.598 -13.287 1.00 0.00 N ATOM 792 CA VAL A 49 -5.054 9.405 -13.427 1.00 0.00 C ATOM 793 C VAL A 49 -4.163 8.227 -13.827 1.00 0.00 C ATOM 794 O VAL A 49 -4.489 7.074 -13.547 1.00 0.00 O ATOM 795 CB VAL A 49 -6.188 9.661 -14.421 1.00 0.00 C ATOM 796 CG1 VAL A 49 -5.642 9.869 -15.835 1.00 0.00 C ATOM 797 CG2 VAL A 49 -7.211 8.523 -14.391 1.00 0.00 C ATOM 0 H VAL A 49 -4.573 11.408 -13.809 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.524 9.150 -12.477 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.696 10.577 -14.120 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.469 10.049 -16.522 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.970 10.727 -15.843 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.097 8.979 -16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.007 8.730 -15.107 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.721 7.586 -14.654 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.635 8.442 -13.390 1.00 0.00 H new ATOM 807 N LEU A 50 -3.056 8.557 -14.475 1.00 0.00 N ATOM 808 CA LEU A 50 -2.115 7.541 -14.917 1.00 0.00 C ATOM 809 C LEU A 50 -0.874 7.579 -14.022 1.00 0.00 C ATOM 810 O LEU A 50 -0.300 6.537 -13.707 1.00 0.00 O ATOM 811 CB LEU A 50 -1.805 7.708 -16.405 1.00 0.00 C ATOM 812 CG LEU A 50 -3.010 7.673 -17.348 1.00 0.00 C ATOM 813 CD1 LEU A 50 -3.111 8.970 -18.156 1.00 0.00 C ATOM 814 CD2 LEU A 50 -2.965 6.438 -18.252 1.00 0.00 C ATOM 0 H LEU A 50 -2.789 9.514 -14.705 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.552 6.547 -14.816 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.287 8.657 -16.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.113 6.920 -16.702 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.914 7.597 -16.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.975 8.920 -18.818 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.224 9.814 -17.476 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.206 9.100 -18.750 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.833 6.438 -18.912 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.054 6.458 -18.850 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.976 5.537 -17.638 1.00 0.00 H new ATOM 826 N ARG A 51 -0.497 8.789 -13.638 1.00 0.00 N ATOM 827 CA ARG A 51 0.665 8.976 -12.787 1.00 0.00 C ATOM 828 C ARG A 51 0.407 8.385 -11.399 1.00 0.00 C ATOM 829 O ARG A 51 1.294 7.775 -10.805 1.00 0.00 O ATOM 830 CB ARG A 51 1.013 10.459 -12.646 1.00 0.00 C ATOM 831 CG ARG A 51 2.523 10.682 -12.758 1.00 0.00 C ATOM 832 CD ARG A 51 3.149 10.899 -11.380 1.00 0.00 C ATOM 833 NE ARG A 51 4.228 11.908 -11.467 1.00 0.00 N ATOM 834 CZ ARG A 51 4.050 13.164 -11.896 1.00 0.00 C ATOM 835 NH1 ARG A 51 2.833 13.574 -12.282 1.00 0.00 N ATOM 836 NH2 ARG A 51 5.087 14.011 -11.942 1.00 0.00 N ATOM 0 H ARG A 51 -0.976 9.650 -13.901 1.00 0.00 H new ATOM 0 HA ARG A 51 1.504 8.461 -13.255 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.499 11.032 -13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.658 10.830 -11.685 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.986 9.821 -13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.720 11.547 -13.391 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.387 11.229 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.549 9.959 -11.001 1.00 0.00 H new ATOM 0 HE ARG A 51 5.167 11.629 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.043 12.929 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.697 14.531 -12.609 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.013 13.699 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.950 14.967 -12.269 1.00 0.00 H new ATOM 850 N GLU A 52 -0.812 8.588 -10.923 1.00 0.00 N ATOM 851 CA GLU A 52 -1.199 8.084 -9.617 1.00 0.00 C ATOM 852 C GLU A 52 -1.159 6.554 -9.605 1.00 0.00 C ATOM 853 O GLU A 52 -1.241 5.936 -8.544 1.00 0.00 O ATOM 854 CB GLU A 52 -2.584 8.599 -9.217 1.00 0.00 C ATOM 855 CG GLU A 52 -3.671 8.000 -10.110 1.00 0.00 C ATOM 856 CD GLU A 52 -4.465 6.927 -9.364 1.00 0.00 C ATOM 857 OE1 GLU A 52 -3.809 6.039 -8.779 1.00 0.00 O ATOM 858 OE2 GLU A 52 -5.712 7.020 -9.394 1.00 0.00 O ATOM 0 H GLU A 52 -1.545 9.095 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.484 8.453 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.783 8.345 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.607 9.686 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.345 8.788 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.217 7.567 -11.001 1.00 0.00 H new ATOM 865 N GLN A 53 -1.033 5.989 -10.796 1.00 0.00 N ATOM 866 CA GLN A 53 -0.982 4.543 -10.935 1.00 0.00 C ATOM 867 C GLN A 53 0.417 4.103 -11.371 1.00 0.00 C ATOM 868 O GLN A 53 0.807 2.956 -11.153 1.00 0.00 O ATOM 869 CB GLN A 53 -2.044 4.049 -11.919 1.00 0.00 C ATOM 870 CG GLN A 53 -1.904 4.747 -13.274 1.00 0.00 C ATOM 871 CD GLN A 53 -2.958 4.243 -14.261 1.00 0.00 C ATOM 872 OE1 GLN A 53 -2.763 3.274 -14.976 1.00 0.00 O ATOM 873 NE2 GLN A 53 -4.083 4.954 -14.262 1.00 0.00 N ATOM 0 H GLN A 53 -0.965 6.505 -11.673 1.00 0.00 H new ATOM 0 HA GLN A 53 -1.198 4.095 -9.965 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.950 2.971 -12.050 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.037 4.235 -11.511 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.007 5.824 -13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.907 4.569 -13.678 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.181 5.755 -13.637 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.847 4.698 -14.887 1.00 0.00 H new ATOM 882 N ALA A 54 1.135 5.035 -11.981 1.00 0.00 N ATOM 883 CA ALA A 54 2.482 4.757 -12.450 1.00 0.00 C ATOM 884 C ALA A 54 3.345 4.307 -11.270 1.00 0.00 C ATOM 885 O ALA A 54 3.416 4.993 -10.251 1.00 0.00 O ATOM 886 CB ALA A 54 3.046 5.996 -13.147 1.00 0.00 C ATOM 0 H ALA A 54 0.809 5.984 -12.161 1.00 0.00 H new ATOM 0 HA ALA A 54 2.475 3.948 -13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.056 5.787 -13.499 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.413 6.256 -13.995 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.071 6.829 -12.444 1.00 0.00 H new ATOM 892 N GLY A 55 3.980 3.157 -11.445 1.00 0.00 N ATOM 893 CA GLY A 55 4.835 2.609 -10.408 1.00 0.00 C ATOM 894 C GLY A 55 4.311 1.257 -9.922 1.00 0.00 C ATOM 895 O GLY A 55 4.647 0.814 -8.824 1.00 0.00 O ATOM 0 H GLY A 55 3.919 2.590 -12.291 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.849 2.493 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.888 3.305 -9.571 1.00 0.00 H new ATOM 899 N GLY A 56 3.493 0.639 -10.762 1.00 0.00 N ATOM 900 CA GLY A 56 2.918 -0.654 -10.431 1.00 0.00 C ATOM 901 C GLY A 56 1.811 -1.029 -11.420 1.00 0.00 C ATOM 902 O GLY A 56 1.559 -0.306 -12.381 1.00 0.00 O ATOM 0 H GLY A 56 3.215 1.010 -11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.697 -1.417 -10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.514 -0.628 -9.419 1.00 0.00 H new ATOM 906 N ASP A 57 1.180 -2.163 -11.148 1.00 0.00 N ATOM 907 CA ASP A 57 0.107 -2.644 -12.003 1.00 0.00 C ATOM 908 C ASP A 57 -1.172 -1.863 -11.695 1.00 0.00 C ATOM 909 O ASP A 57 -1.664 -1.888 -10.568 1.00 0.00 O ATOM 910 CB ASP A 57 -0.173 -4.126 -11.750 1.00 0.00 C ATOM 911 CG ASP A 57 -1.623 -4.560 -11.984 1.00 0.00 C ATOM 912 OD1 ASP A 57 -2.500 -4.003 -11.291 1.00 0.00 O ATOM 913 OD2 ASP A 57 -1.820 -5.438 -12.851 1.00 0.00 O ATOM 0 H ASP A 57 1.391 -2.761 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 57 0.412 -2.505 -13.040 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.476 -4.718 -12.395 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.099 -4.361 -10.721 1.00 0.00 H new ATOM 918 N ALA A 58 -1.673 -1.187 -12.718 1.00 0.00 N ATOM 919 CA ALA A 58 -2.886 -0.398 -12.572 1.00 0.00 C ATOM 920 C ALA A 58 -4.086 -1.226 -13.038 1.00 0.00 C ATOM 921 O ALA A 58 -5.226 -0.917 -12.698 1.00 0.00 O ATOM 922 CB ALA A 58 -2.741 0.909 -13.353 1.00 0.00 C ATOM 0 H ALA A 58 -1.262 -1.169 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.051 -0.137 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.650 1.501 -13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.892 1.472 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.577 0.687 -14.407 1.00 0.00 H new ATOM 928 N THR A 59 -3.786 -2.262 -13.808 1.00 0.00 N ATOM 929 CA THR A 59 -4.827 -3.137 -14.322 1.00 0.00 C ATOM 930 C THR A 59 -5.875 -3.412 -13.242 1.00 0.00 C ATOM 931 O THR A 59 -7.074 -3.403 -13.518 1.00 0.00 O ATOM 932 CB THR A 59 -4.158 -4.404 -14.857 1.00 0.00 C ATOM 933 OG1 THR A 59 -5.004 -4.819 -15.925 1.00 0.00 O ATOM 934 CG2 THR A 59 -4.218 -5.563 -13.859 1.00 0.00 C ATOM 0 H THR A 59 -2.838 -2.515 -14.088 1.00 0.00 H new ATOM 0 HA THR A 59 -5.369 -2.667 -15.143 1.00 0.00 H new ATOM 0 HB THR A 59 -3.118 -4.190 -15.102 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.090 -5.795 -15.914 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.729 -6.438 -14.288 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.709 -5.277 -12.939 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.259 -5.800 -13.639 1.00 0.00 H new ATOM 942 N GLU A 60 -5.385 -3.651 -12.035 1.00 0.00 N ATOM 943 CA GLU A 60 -6.264 -3.928 -10.911 1.00 0.00 C ATOM 944 C GLU A 60 -7.337 -2.845 -10.796 1.00 0.00 C ATOM 945 O GLU A 60 -8.509 -3.147 -10.579 1.00 0.00 O ATOM 946 CB GLU A 60 -5.468 -4.054 -9.610 1.00 0.00 C ATOM 947 CG GLU A 60 -5.577 -5.466 -9.034 1.00 0.00 C ATOM 948 CD GLU A 60 -6.057 -5.431 -7.582 1.00 0.00 C ATOM 949 OE1 GLU A 60 -5.192 -5.224 -6.704 1.00 0.00 O ATOM 950 OE2 GLU A 60 -7.278 -5.612 -7.382 1.00 0.00 O ATOM 0 H GLU A 60 -4.390 -3.659 -11.810 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.759 -4.883 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.421 -3.813 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.837 -3.331 -8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.269 -6.055 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.607 -5.960 -9.088 1.00 0.00 H new ATOM 957 N ASN A 61 -6.898 -1.604 -10.949 1.00 0.00 N ATOM 958 CA ASN A 61 -7.807 -0.473 -10.864 1.00 0.00 C ATOM 959 C ASN A 61 -8.497 -0.278 -12.215 1.00 0.00 C ATOM 960 O ASN A 61 -9.719 -0.148 -12.280 1.00 0.00 O ATOM 961 CB ASN A 61 -7.054 0.816 -10.529 1.00 0.00 C ATOM 962 CG ASN A 61 -7.691 1.529 -9.335 1.00 0.00 C ATOM 963 OD1 ASN A 61 -8.784 2.063 -9.410 1.00 0.00 O ATOM 964 ND2 ASN A 61 -6.949 1.505 -8.231 1.00 0.00 N ATOM 0 H ASN A 61 -5.925 -1.357 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.532 -0.682 -10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.012 0.585 -10.306 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.055 1.478 -11.395 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.288 1.952 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.041 1.040 -8.237 1.00 0.00 H new ATOM 971 N PHE A 62 -7.687 -0.263 -13.263 1.00 0.00 N ATOM 972 CA PHE A 62 -8.204 -0.086 -14.609 1.00 0.00 C ATOM 973 C PHE A 62 -9.263 -1.142 -14.932 1.00 0.00 C ATOM 974 O PHE A 62 -9.998 -1.009 -15.909 1.00 0.00 O ATOM 975 CB PHE A 62 -7.025 -0.256 -15.568 1.00 0.00 C ATOM 976 CG PHE A 62 -7.332 -1.128 -16.786 1.00 0.00 C ATOM 977 CD1 PHE A 62 -7.516 -2.467 -16.633 1.00 0.00 C ATOM 978 CD2 PHE A 62 -7.424 -0.565 -18.021 1.00 0.00 C ATOM 979 CE1 PHE A 62 -7.802 -3.278 -17.764 1.00 0.00 C ATOM 980 CE2 PHE A 62 -7.709 -1.376 -19.151 1.00 0.00 C ATOM 981 CZ PHE A 62 -7.892 -2.714 -18.999 1.00 0.00 C ATOM 0 H PHE A 62 -6.674 -0.371 -13.207 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.667 0.896 -14.703 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.704 0.728 -15.910 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.188 -0.693 -15.024 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.445 -2.914 -15.652 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.280 0.499 -18.142 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.948 -4.341 -17.644 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.780 -0.929 -20.132 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.109 -3.330 -19.859 1.00 0.00 H new ATOM 991 N GLU A 63 -9.308 -2.165 -14.092 1.00 0.00 N ATOM 992 CA GLU A 63 -10.265 -3.243 -14.276 1.00 0.00 C ATOM 993 C GLU A 63 -11.623 -2.852 -13.688 1.00 0.00 C ATOM 994 O GLU A 63 -12.665 -3.264 -14.198 1.00 0.00 O ATOM 995 CB GLU A 63 -9.753 -4.543 -13.653 1.00 0.00 C ATOM 996 CG GLU A 63 -9.142 -5.458 -14.717 1.00 0.00 C ATOM 997 CD GLU A 63 -10.130 -6.547 -15.139 1.00 0.00 C ATOM 998 OE1 GLU A 63 -11.277 -6.175 -15.467 1.00 0.00 O ATOM 999 OE2 GLU A 63 -9.715 -7.726 -15.122 1.00 0.00 O ATOM 0 H GLU A 63 -8.697 -2.271 -13.282 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.388 -3.415 -15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.007 -4.316 -12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.573 -5.058 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.853 -4.868 -15.587 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.234 -5.918 -14.328 1.00 0.00 H new ATOM 1006 N ASP A 64 -11.568 -2.063 -12.627 1.00 0.00 N ATOM 1007 CA ASP A 64 -12.782 -1.610 -11.967 1.00 0.00 C ATOM 1008 C ASP A 64 -13.416 -0.485 -12.787 1.00 0.00 C ATOM 1009 O ASP A 64 -14.591 -0.559 -13.145 1.00 0.00 O ATOM 1010 CB ASP A 64 -12.478 -1.065 -10.570 1.00 0.00 C ATOM 1011 CG ASP A 64 -13.504 -0.069 -10.028 1.00 0.00 C ATOM 1012 OD1 ASP A 64 -14.555 -0.543 -9.544 1.00 0.00 O ATOM 1013 OD2 ASP A 64 -13.215 1.145 -10.108 1.00 0.00 O ATOM 0 H ASP A 64 -10.702 -1.725 -12.207 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.458 -2.461 -11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.406 -1.903 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -11.501 -0.583 -10.589 1.00 0.00 H new ATOM 1018 N VAL A 65 -12.610 0.531 -13.060 1.00 0.00 N ATOM 1019 CA VAL A 65 -13.078 1.670 -13.831 1.00 0.00 C ATOM 1020 C VAL A 65 -13.729 1.173 -15.123 1.00 0.00 C ATOM 1021 O VAL A 65 -14.502 1.896 -15.749 1.00 0.00 O ATOM 1022 CB VAL A 65 -11.923 2.644 -14.078 1.00 0.00 C ATOM 1023 CG1 VAL A 65 -10.573 1.931 -13.972 1.00 0.00 C ATOM 1024 CG2 VAL A 65 -12.073 3.337 -15.434 1.00 0.00 C ATOM 0 H VAL A 65 -11.636 0.589 -12.761 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.837 2.221 -13.277 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.958 3.411 -13.304 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.769 2.645 -14.152 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.464 1.505 -12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.523 1.134 -14.714 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.240 4.024 -15.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.075 2.589 -16.227 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.010 3.893 -15.457 1.00 0.00 H new ATOM 1034 N GLY A 66 -13.392 -0.057 -15.482 1.00 0.00 N ATOM 1035 CA GLY A 66 -13.934 -0.659 -16.688 1.00 0.00 C ATOM 1036 C GLY A 66 -13.630 0.203 -17.916 1.00 0.00 C ATOM 1037 O GLY A 66 -14.453 1.018 -18.327 1.00 0.00 O ATOM 0 H GLY A 66 -12.750 -0.653 -14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.510 -1.654 -16.824 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.012 -0.783 -16.584 1.00 0.00 H new ATOM 1041 N HIS A 67 -12.443 -0.008 -18.467 1.00 0.00 N ATOM 1042 CA HIS A 67 -12.020 0.740 -19.640 1.00 0.00 C ATOM 1043 C HIS A 67 -12.676 0.150 -20.889 1.00 0.00 C ATOM 1044 O HIS A 67 -13.425 -0.823 -20.802 1.00 0.00 O ATOM 1045 CB HIS A 67 -10.494 0.781 -19.735 1.00 0.00 C ATOM 1046 CG HIS A 67 -9.842 1.728 -18.756 1.00 0.00 C ATOM 1047 ND1 HIS A 67 -9.382 1.324 -17.515 1.00 0.00 N ATOM 1048 CD2 HIS A 67 -9.579 3.063 -18.849 1.00 0.00 C ATOM 1049 CE1 HIS A 67 -8.867 2.376 -16.897 1.00 0.00 C ATOM 1050 NE2 HIS A 67 -8.990 3.455 -17.725 1.00 0.00 N ATOM 0 H HIS A 67 -11.762 -0.685 -18.124 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.349 1.776 -19.554 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.103 -0.223 -19.569 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.211 1.070 -20.747 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.431 0.377 -17.140 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -9.811 3.695 -19.694 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.427 2.380 -15.911 1.00 0.00 H new ATOM 1059 N SER A 68 -12.374 0.766 -22.024 1.00 0.00 N ATOM 1060 CA SER A 68 -12.925 0.313 -23.290 1.00 0.00 C ATOM 1061 C SER A 68 -11.850 -0.411 -24.101 1.00 0.00 C ATOM 1062 O SER A 68 -10.659 -0.145 -23.938 1.00 0.00 O ATOM 1063 CB SER A 68 -13.497 1.485 -24.091 1.00 0.00 C ATOM 1064 OG SER A 68 -12.507 2.106 -24.907 1.00 0.00 O ATOM 0 H SER A 68 -11.755 1.574 -22.092 1.00 0.00 H new ATOM 0 HA SER A 68 -13.739 -0.381 -23.080 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.315 1.131 -24.719 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.917 2.222 -23.406 1.00 0.00 H new ATOM 0 HG SER A 68 -12.911 2.848 -25.404 1.00 0.00 H new ATOM 1070 N THR A 69 -12.306 -1.313 -24.957 1.00 0.00 N ATOM 1071 CA THR A 69 -11.396 -2.077 -25.795 1.00 0.00 C ATOM 1072 C THR A 69 -10.420 -1.143 -26.514 1.00 0.00 C ATOM 1073 O THR A 69 -9.279 -1.516 -26.781 1.00 0.00 O ATOM 1074 CB THR A 69 -12.234 -2.930 -26.748 1.00 0.00 C ATOM 1075 OG1 THR A 69 -13.283 -2.058 -27.163 1.00 0.00 O ATOM 1076 CG2 THR A 69 -12.961 -4.069 -26.029 1.00 0.00 C ATOM 0 H THR A 69 -13.293 -1.532 -25.089 1.00 0.00 H new ATOM 0 HA THR A 69 -10.776 -2.745 -25.197 1.00 0.00 H new ATOM 0 HB THR A 69 -11.591 -3.342 -27.526 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.874 -2.531 -27.786 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.541 -4.643 -26.751 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.231 -4.721 -25.549 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.629 -3.655 -25.274 1.00 0.00 H new ATOM 1084 N ASP A 70 -10.907 0.054 -26.809 1.00 0.00 N ATOM 1085 CA ASP A 70 -10.092 1.045 -27.492 1.00 0.00 C ATOM 1086 C ASP A 70 -8.963 1.499 -26.564 1.00 0.00 C ATOM 1087 O ASP A 70 -7.804 1.552 -26.973 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.921 2.277 -27.866 1.00 0.00 C ATOM 1089 CG ASP A 70 -10.160 3.358 -28.634 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -9.086 3.761 -28.136 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -10.669 3.760 -29.703 1.00 0.00 O ATOM 0 H ASP A 70 -11.855 0.360 -26.588 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.695 0.588 -28.399 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.771 1.955 -28.467 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.324 2.716 -26.953 1.00 0.00 H new ATOM 1096 N ALA A 71 -9.342 1.814 -25.335 1.00 0.00 N ATOM 1097 CA ALA A 71 -8.376 2.262 -24.346 1.00 0.00 C ATOM 1098 C ALA A 71 -7.235 1.247 -24.259 1.00 0.00 C ATOM 1099 O ALA A 71 -6.063 1.622 -24.243 1.00 0.00 O ATOM 1100 CB ALA A 71 -9.078 2.468 -23.002 1.00 0.00 C ATOM 0 H ALA A 71 -10.305 1.768 -25.001 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.944 3.220 -24.637 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.353 2.804 -22.261 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.860 3.219 -23.111 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.522 1.528 -22.675 1.00 0.00 H new ATOM 1106 N ARG A 72 -7.616 -0.021 -24.205 1.00 0.00 N ATOM 1107 CA ARG A 72 -6.640 -1.094 -24.120 1.00 0.00 C ATOM 1108 C ARG A 72 -5.815 -1.165 -25.407 1.00 0.00 C ATOM 1109 O ARG A 72 -4.617 -1.444 -25.366 1.00 0.00 O ATOM 1110 CB ARG A 72 -7.322 -2.443 -23.885 1.00 0.00 C ATOM 1111 CG ARG A 72 -8.322 -2.358 -22.731 1.00 0.00 C ATOM 1112 CD ARG A 72 -8.923 -3.731 -22.423 1.00 0.00 C ATOM 1113 NE ARG A 72 -7.844 -4.701 -22.130 1.00 0.00 N ATOM 1114 CZ ARG A 72 -7.205 -5.420 -23.063 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -7.534 -5.282 -24.355 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -6.239 -6.277 -22.706 1.00 0.00 N ATOM 0 H ARG A 72 -8.588 -0.329 -24.218 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.985 -0.879 -23.276 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.835 -2.758 -24.793 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.570 -3.201 -23.665 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.825 -1.967 -21.843 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.118 -1.658 -22.986 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.599 -3.658 -21.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.514 -4.077 -23.271 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.569 -4.830 -21.156 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.270 -4.630 -24.627 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.048 -5.829 -25.066 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.989 -6.383 -21.723 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.754 -6.824 -23.417 1.00 0.00 H new ATOM 1130 N GLU A 73 -6.488 -0.907 -26.518 1.00 0.00 N ATOM 1131 CA GLU A 73 -5.832 -0.938 -27.814 1.00 0.00 C ATOM 1132 C GLU A 73 -4.830 0.213 -27.930 1.00 0.00 C ATOM 1133 O GLU A 73 -3.727 0.032 -28.439 1.00 0.00 O ATOM 1134 CB GLU A 73 -6.858 -0.889 -28.948 1.00 0.00 C ATOM 1135 CG GLU A 73 -6.225 -1.304 -30.279 1.00 0.00 C ATOM 1136 CD GLU A 73 -6.802 -2.632 -30.769 1.00 0.00 C ATOM 1137 OE1 GLU A 73 -6.652 -3.626 -30.025 1.00 0.00 O ATOM 1138 OE2 GLU A 73 -7.381 -2.625 -31.877 1.00 0.00 O ATOM 0 H GLU A 73 -7.481 -0.676 -26.548 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.287 -1.878 -27.902 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.693 -1.550 -28.717 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.264 0.119 -29.033 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.400 -0.530 -31.026 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.145 -1.394 -30.160 1.00 0.00 H new ATOM 1145 N LEU A 74 -5.253 1.373 -27.449 1.00 0.00 N ATOM 1146 CA LEU A 74 -4.407 2.554 -27.492 1.00 0.00 C ATOM 1147 C LEU A 74 -3.144 2.300 -26.666 1.00 0.00 C ATOM 1148 O LEU A 74 -2.049 2.697 -27.062 1.00 0.00 O ATOM 1149 CB LEU A 74 -5.192 3.792 -27.054 1.00 0.00 C ATOM 1150 CG LEU A 74 -4.735 4.447 -25.748 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -3.734 5.572 -26.020 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -5.934 4.933 -24.930 1.00 0.00 C ATOM 0 H LEU A 74 -6.170 1.520 -27.028 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.085 2.756 -28.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.135 4.535 -27.850 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.241 3.515 -26.951 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.220 3.695 -25.150 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.425 6.021 -25.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.861 5.167 -26.532 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.202 6.331 -26.647 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.582 5.394 -24.007 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.497 5.664 -25.509 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.578 4.087 -24.690 1.00 0.00 H new ATOM 1164 N SER A 75 -3.339 1.644 -25.531 1.00 0.00 N ATOM 1165 CA SER A 75 -2.231 1.334 -24.646 1.00 0.00 C ATOM 1166 C SER A 75 -1.219 0.439 -25.367 1.00 0.00 C ATOM 1167 O SER A 75 -0.034 0.441 -25.033 1.00 0.00 O ATOM 1168 CB SER A 75 -2.720 0.656 -23.365 1.00 0.00 C ATOM 1169 OG SER A 75 -4.140 0.544 -23.331 1.00 0.00 O ATOM 0 H SER A 75 -4.249 1.319 -25.205 1.00 0.00 H new ATOM 0 HA SER A 75 -1.746 2.269 -24.367 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.276 -0.336 -23.287 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.380 1.226 -22.500 1.00 0.00 H new ATOM 0 HG SER A 75 -4.541 1.432 -23.434 1.00 0.00 H new ATOM 1175 N LYS A 76 -1.722 -0.303 -26.341 1.00 0.00 N ATOM 1176 CA LYS A 76 -0.878 -1.201 -27.112 1.00 0.00 C ATOM 1177 C LYS A 76 0.237 -0.395 -27.780 1.00 0.00 C ATOM 1178 O LYS A 76 1.210 -0.965 -28.272 1.00 0.00 O ATOM 1179 CB LYS A 76 -1.721 -2.018 -28.093 1.00 0.00 C ATOM 1180 CG LYS A 76 -1.436 -1.603 -29.538 1.00 0.00 C ATOM 1181 CD LYS A 76 -2.327 -2.372 -30.515 1.00 0.00 C ATOM 1182 CE LYS A 76 -2.180 -1.827 -31.937 1.00 0.00 C ATOM 1183 NZ LYS A 76 -3.180 -2.445 -32.836 1.00 0.00 N ATOM 0 H LYS A 76 -2.705 -0.301 -26.615 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.398 -1.930 -26.459 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.506 -3.079 -27.966 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.779 -1.878 -27.873 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.604 -0.532 -29.653 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.388 -1.788 -29.773 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.063 -3.429 -30.498 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.368 -2.298 -30.199 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.307 -0.744 -31.933 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.175 -2.029 -32.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.066 -2.064 -33.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.041 -3.476 -32.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.137 -2.231 -32.490 1.00 0.00 H new ATOM 1197 N THR A 77 0.058 0.918 -27.779 1.00 0.00 N ATOM 1198 CA THR A 77 1.037 1.807 -28.380 1.00 0.00 C ATOM 1199 C THR A 77 2.122 2.171 -27.364 1.00 0.00 C ATOM 1200 O THR A 77 3.248 2.489 -27.741 1.00 0.00 O ATOM 1201 CB THR A 77 0.294 3.022 -28.936 1.00 0.00 C ATOM 1202 OG1 THR A 77 -0.011 3.802 -27.782 1.00 0.00 O ATOM 1203 CG2 THR A 77 -1.077 2.659 -29.511 1.00 0.00 C ATOM 0 H THR A 77 -0.751 1.387 -27.371 1.00 0.00 H new ATOM 0 HA THR A 77 1.558 1.321 -29.205 1.00 0.00 H new ATOM 0 HB THR A 77 0.900 3.493 -29.710 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.580 3.282 -27.177 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.561 3.558 -29.892 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.953 1.942 -30.323 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.695 2.218 -28.729 1.00 0.00 H new ATOM 1211 N PHE A 78 1.743 2.112 -26.096 1.00 0.00 N ATOM 1212 CA PHE A 78 2.669 2.432 -25.022 1.00 0.00 C ATOM 1213 C PHE A 78 3.316 1.164 -24.461 1.00 0.00 C ATOM 1214 O PHE A 78 4.225 1.240 -23.635 1.00 0.00 O ATOM 1215 CB PHE A 78 1.856 3.107 -23.916 1.00 0.00 C ATOM 1216 CG PHE A 78 0.899 4.189 -24.420 1.00 0.00 C ATOM 1217 CD1 PHE A 78 1.327 5.107 -25.326 1.00 0.00 C ATOM 1218 CD2 PHE A 78 -0.382 4.230 -23.962 1.00 0.00 C ATOM 1219 CE1 PHE A 78 0.438 6.111 -25.793 1.00 0.00 C ATOM 1220 CE2 PHE A 78 -1.271 5.234 -24.429 1.00 0.00 C ATOM 1221 CZ PHE A 78 -0.842 6.153 -25.335 1.00 0.00 C ATOM 0 H PHE A 78 0.807 1.847 -25.788 1.00 0.00 H new ATOM 0 HA PHE A 78 3.463 3.079 -25.396 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.282 2.347 -23.386 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.542 3.550 -23.194 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.343 5.073 -25.691 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.722 3.499 -23.243 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.778 6.841 -26.512 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.287 5.268 -24.065 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.518 6.916 -25.691 1.00 0.00 H new ATOM 1231 N ILE A 79 2.824 0.028 -24.933 1.00 0.00 N ATOM 1232 CA ILE A 79 3.343 -1.255 -24.489 1.00 0.00 C ATOM 1233 C ILE A 79 4.811 -1.375 -24.900 1.00 0.00 C ATOM 1234 O ILE A 79 5.128 -1.393 -26.088 1.00 0.00 O ATOM 1235 CB ILE A 79 2.464 -2.396 -25.005 1.00 0.00 C ATOM 1236 CG1 ILE A 79 1.302 -2.668 -24.047 1.00 0.00 C ATOM 1237 CG2 ILE A 79 3.296 -3.653 -25.267 1.00 0.00 C ATOM 1238 CD1 ILE A 79 0.956 -4.158 -24.015 1.00 0.00 C ATOM 0 H ILE A 79 2.071 -0.031 -25.619 1.00 0.00 H new ATOM 0 HA ILE A 79 3.309 -1.325 -23.402 1.00 0.00 H new ATOM 0 HB ILE A 79 2.032 -2.091 -25.958 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.566 -2.330 -23.045 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.428 -2.095 -24.357 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.647 -4.449 -25.633 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.059 -3.435 -26.014 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.775 -3.972 -24.341 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.127 -4.324 -23.327 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.670 -4.487 -25.014 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.824 -4.726 -23.681 1.00 0.00 H new ATOM 1250 N ILE A 80 5.669 -1.456 -23.893 1.00 0.00 N ATOM 1251 CA ILE A 80 7.098 -1.574 -24.135 1.00 0.00 C ATOM 1252 C ILE A 80 7.562 -2.979 -23.743 1.00 0.00 C ATOM 1253 O ILE A 80 8.526 -3.498 -24.305 1.00 0.00 O ATOM 1254 CB ILE A 80 7.856 -0.453 -23.422 1.00 0.00 C ATOM 1255 CG1 ILE A 80 7.516 -0.423 -21.932 1.00 0.00 C ATOM 1256 CG2 ILE A 80 7.604 0.896 -24.096 1.00 0.00 C ATOM 1257 CD1 ILE A 80 8.535 0.411 -21.152 1.00 0.00 C ATOM 0 H ILE A 80 5.403 -1.442 -22.908 1.00 0.00 H new ATOM 0 HA ILE A 80 7.318 -1.450 -25.195 1.00 0.00 H new ATOM 0 HB ILE A 80 8.924 -0.657 -23.504 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.518 -0.008 -21.792 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.497 -1.440 -21.540 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.155 1.675 -23.569 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.939 0.853 -25.132 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.538 1.123 -24.068 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.269 0.415 -20.095 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.528 -0.021 -21.274 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.534 1.433 -21.530 1.00 0.00 H new ATOM 1269 N GLY A 81 6.856 -3.553 -22.781 1.00 0.00 N ATOM 1270 CA GLY A 81 7.184 -4.888 -22.307 1.00 0.00 C ATOM 1271 C GLY A 81 6.064 -5.448 -21.427 1.00 0.00 C ATOM 1272 O GLY A 81 4.896 -5.107 -21.610 1.00 0.00 O ATOM 0 H GLY A 81 6.058 -3.119 -22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.348 -5.550 -23.158 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.115 -4.858 -21.742 1.00 0.00 H new ATOM 1276 N GLU A 82 6.459 -6.297 -20.491 1.00 0.00 N ATOM 1277 CA GLU A 82 5.506 -6.906 -19.581 1.00 0.00 C ATOM 1278 C GLU A 82 6.187 -7.271 -18.261 1.00 0.00 C ATOM 1279 O GLU A 82 7.408 -7.183 -18.143 1.00 0.00 O ATOM 1280 CB GLU A 82 4.849 -8.134 -20.217 1.00 0.00 C ATOM 1281 CG GLU A 82 4.975 -8.095 -21.741 1.00 0.00 C ATOM 1282 CD GLU A 82 4.344 -9.336 -22.375 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.099 -9.348 -22.483 1.00 0.00 O ATOM 1284 OE2 GLU A 82 5.121 -10.245 -22.739 1.00 0.00 O ATOM 0 H GLU A 82 7.428 -6.578 -20.343 1.00 0.00 H new ATOM 0 HA GLU A 82 4.720 -6.180 -19.372 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.316 -9.041 -19.833 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.797 -8.174 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.490 -7.198 -22.127 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.027 -8.034 -22.021 1.00 0.00 H new ATOM 1291 N LEU A 83 5.368 -7.673 -17.300 1.00 0.00 N ATOM 1292 CA LEU A 83 5.876 -8.051 -15.992 1.00 0.00 C ATOM 1293 C LEU A 83 6.451 -9.467 -16.065 1.00 0.00 C ATOM 1294 O LEU A 83 5.763 -10.400 -16.477 1.00 0.00 O ATOM 1295 CB LEU A 83 4.793 -7.880 -14.926 1.00 0.00 C ATOM 1296 CG LEU A 83 5.288 -7.712 -13.487 1.00 0.00 C ATOM 1297 CD1 LEU A 83 6.614 -8.443 -13.275 1.00 0.00 C ATOM 1298 CD2 LEU A 83 5.382 -6.232 -13.110 1.00 0.00 C ATOM 0 H LEU A 83 4.356 -7.745 -17.401 1.00 0.00 H new ATOM 0 HA LEU A 83 6.690 -7.390 -15.693 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.190 -7.010 -15.186 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.134 -8.747 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 83 4.559 -8.169 -12.818 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.943 -8.308 -12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.480 -9.506 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.365 -8.037 -13.952 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.736 -6.140 -12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.079 -5.729 -13.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.398 -5.771 -13.197 1.00 0.00 H new ATOM 1310 N HIS A 84 7.706 -9.583 -15.655 1.00 0.00 N ATOM 1311 CA HIS A 84 8.380 -10.870 -15.667 1.00 0.00 C ATOM 1312 C HIS A 84 7.784 -11.773 -14.585 1.00 0.00 C ATOM 1313 O HIS A 84 6.798 -11.412 -13.945 1.00 0.00 O ATOM 1314 CB HIS A 84 9.893 -10.692 -15.524 1.00 0.00 C ATOM 1315 CG HIS A 84 10.695 -11.321 -16.637 1.00 0.00 C ATOM 1316 ND1 HIS A 84 12.069 -11.479 -16.577 1.00 0.00 N ATOM 1317 CD2 HIS A 84 10.302 -11.832 -17.839 1.00 0.00 C ATOM 1318 CE1 HIS A 84 12.474 -12.059 -17.698 1.00 0.00 C ATOM 1319 NE2 HIS A 84 11.377 -12.275 -18.479 1.00 0.00 N ATOM 0 H HIS A 84 8.273 -8.807 -15.313 1.00 0.00 H new ATOM 0 HA HIS A 84 8.219 -11.359 -16.628 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.121 -9.627 -15.484 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.211 -11.122 -14.574 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.288 -11.870 -18.208 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.493 -12.315 -17.949 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.382 -12.706 -19.403 1.00 0.00 H new ATOM 1328 N PRO A 85 8.428 -12.958 -14.408 1.00 0.00 N ATOM 1329 CA PRO A 85 7.972 -13.915 -13.414 1.00 0.00 C ATOM 1330 C PRO A 85 8.348 -13.461 -12.002 1.00 0.00 C ATOM 1331 O PRO A 85 8.228 -14.227 -11.047 1.00 0.00 O ATOM 1332 CB PRO A 85 8.622 -15.232 -13.807 1.00 0.00 C ATOM 1333 CG PRO A 85 9.778 -14.867 -14.724 1.00 0.00 C ATOM 1334 CD PRO A 85 9.599 -13.418 -15.146 1.00 0.00 C ATOM 0 HA PRO A 85 6.887 -14.013 -13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.976 -15.771 -12.928 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.910 -15.883 -14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.730 -15.000 -14.210 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.793 -15.520 -15.597 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.479 -12.823 -14.902 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.446 -13.335 -16.222 1.00 0.00 H new ATOM 1342 N ASP A 86 8.794 -12.218 -11.915 1.00 0.00 N ATOM 1343 CA ASP A 86 9.189 -11.651 -10.636 1.00 0.00 C ATOM 1344 C ASP A 86 7.937 -11.274 -9.843 1.00 0.00 C ATOM 1345 O ASP A 86 7.964 -11.241 -8.613 1.00 0.00 O ATOM 1346 CB ASP A 86 10.027 -10.386 -10.829 1.00 0.00 C ATOM 1347 CG ASP A 86 9.704 -9.244 -9.862 1.00 0.00 C ATOM 1348 OD1 ASP A 86 10.029 -9.403 -8.666 1.00 0.00 O ATOM 1349 OD2 ASP A 86 9.139 -8.237 -10.343 1.00 0.00 O ATOM 0 H ASP A 86 8.891 -11.586 -12.710 1.00 0.00 H new ATOM 0 HA ASP A 86 9.781 -12.396 -10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.080 -10.646 -10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.889 -10.028 -11.849 1.00 0.00 H new ATOM 1354 N ASP A 87 6.870 -10.998 -10.578 1.00 0.00 N ATOM 1355 CA ASP A 87 5.610 -10.624 -9.958 1.00 0.00 C ATOM 1356 C ASP A 87 4.596 -10.268 -11.047 1.00 0.00 C ATOM 1357 O ASP A 87 4.015 -9.185 -11.028 1.00 0.00 O ATOM 1358 CB ASP A 87 5.783 -9.400 -9.055 1.00 0.00 C ATOM 1359 CG ASP A 87 6.121 -9.716 -7.596 1.00 0.00 C ATOM 1360 OD1 ASP A 87 5.440 -10.600 -7.034 1.00 0.00 O ATOM 1361 OD2 ASP A 87 7.053 -9.065 -7.077 1.00 0.00 O ATOM 0 H ASP A 87 6.852 -11.026 -11.597 1.00 0.00 H new ATOM 0 HA ASP A 87 5.264 -11.468 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.572 -8.772 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.864 -8.815 -9.081 1.00 0.00 H new ATOM 1366 N ARG A 88 4.416 -11.201 -11.969 1.00 0.00 N ATOM 1367 CA ARG A 88 3.483 -11.000 -13.066 1.00 0.00 C ATOM 1368 C ARG A 88 2.112 -11.577 -12.707 1.00 0.00 C ATOM 1369 O ARG A 88 1.098 -10.890 -12.814 1.00 0.00 O ATOM 1370 CB ARG A 88 3.988 -11.662 -14.348 1.00 0.00 C ATOM 1371 CG ARG A 88 4.158 -13.170 -14.157 1.00 0.00 C ATOM 1372 CD ARG A 88 4.986 -13.778 -15.293 1.00 0.00 C ATOM 1373 NE ARG A 88 4.760 -15.238 -15.356 1.00 0.00 N ATOM 1374 CZ ARG A 88 4.978 -15.986 -16.448 1.00 0.00 C ATOM 1375 NH1 ARG A 88 5.429 -15.412 -17.572 1.00 0.00 N ATOM 1376 NH2 ARG A 88 4.746 -17.305 -16.414 1.00 0.00 N ATOM 0 H ARG A 88 4.900 -12.099 -11.980 1.00 0.00 H new ATOM 0 HA ARG A 88 3.397 -9.927 -13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.286 -11.472 -15.160 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.941 -11.219 -14.639 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.645 -13.366 -13.202 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.179 -13.648 -14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.711 -13.318 -16.242 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.044 -13.572 -15.134 1.00 0.00 H new ATOM 0 HE ARG A 88 4.417 -15.705 -14.517 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.606 -14.408 -17.596 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.595 -15.979 -18.403 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.404 -17.741 -15.558 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.912 -17.874 -17.244 1.00 0.00 H new ATOM 1390 N SER A 89 2.125 -12.835 -12.291 1.00 0.00 N ATOM 1391 CA SER A 89 0.896 -13.513 -11.916 1.00 0.00 C ATOM 1392 C SER A 89 0.385 -12.969 -10.580 1.00 0.00 C ATOM 1393 O SER A 89 -0.671 -13.383 -10.101 1.00 0.00 O ATOM 1394 CB SER A 89 1.106 -15.027 -11.827 1.00 0.00 C ATOM 1395 OG SER A 89 -0.066 -15.750 -12.189 1.00 0.00 O ATOM 0 H SER A 89 2.968 -13.403 -12.205 1.00 0.00 H new ATOM 0 HA SER A 89 0.151 -13.322 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.928 -15.318 -12.481 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.397 -15.294 -10.811 1.00 0.00 H new ATOM 0 HG SER A 89 0.109 -16.712 -12.121 1.00 0.00 H new ATOM 1401 N LYS A 90 1.155 -12.050 -10.017 1.00 0.00 N ATOM 1402 CA LYS A 90 0.793 -11.445 -8.747 1.00 0.00 C ATOM 1403 C LYS A 90 0.058 -10.128 -9.005 1.00 0.00 C ATOM 1404 O LYS A 90 -0.368 -9.458 -8.067 1.00 0.00 O ATOM 1405 CB LYS A 90 2.026 -11.298 -7.853 1.00 0.00 C ATOM 1406 CG LYS A 90 2.111 -12.443 -6.842 1.00 0.00 C ATOM 1407 CD LYS A 90 2.775 -11.980 -5.544 1.00 0.00 C ATOM 1408 CE LYS A 90 2.206 -12.731 -4.338 1.00 0.00 C ATOM 1409 NZ LYS A 90 2.240 -11.876 -3.132 1.00 0.00 N ATOM 0 H LYS A 90 2.029 -11.709 -10.418 1.00 0.00 H new ATOM 0 HA LYS A 90 0.106 -12.090 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.926 -11.284 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.985 -10.345 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.111 -12.820 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.678 -13.270 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.851 -12.143 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.622 -10.909 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.181 -13.038 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.782 -13.640 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.850 -12.401 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.223 -11.604 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.671 -11.021 -3.296 1.00 0.00 H new ATOM 1423 N ILE A 91 -0.065 -9.797 -10.282 1.00 0.00 N ATOM 1424 CA ILE A 91 -0.740 -8.572 -10.675 1.00 0.00 C ATOM 1425 C ILE A 91 -1.606 -8.845 -11.907 1.00 0.00 C ATOM 1426 O ILE A 91 -2.738 -8.369 -11.992 1.00 0.00 O ATOM 1427 CB ILE A 91 0.272 -7.442 -10.873 1.00 0.00 C ATOM 1428 CG1 ILE A 91 0.838 -7.456 -12.295 1.00 0.00 C ATOM 1429 CG2 ILE A 91 1.376 -7.503 -9.816 1.00 0.00 C ATOM 1430 CD1 ILE A 91 2.027 -6.500 -12.420 1.00 0.00 C ATOM 0 H ILE A 91 0.291 -10.356 -11.057 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.408 -8.234 -9.883 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.246 -6.492 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.150 -8.467 -12.556 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.060 -7.170 -13.003 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.082 -6.689 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.935 -7.407 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.899 -8.457 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.411 -6.528 -13.440 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.705 -5.486 -12.181 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.812 -6.804 -11.728 1.00 0.00 H new ATOM 1442 N THR A 92 -1.042 -9.609 -12.830 1.00 0.00 N ATOM 1443 CA THR A 92 -1.748 -9.950 -14.053 1.00 0.00 C ATOM 1444 C THR A 92 -3.253 -10.044 -13.791 1.00 0.00 C ATOM 1445 O THR A 92 -3.675 -10.432 -12.704 1.00 0.00 O ATOM 1446 CB THR A 92 -1.146 -11.246 -14.601 1.00 0.00 C ATOM 1447 OG1 THR A 92 -1.634 -11.318 -15.938 1.00 0.00 O ATOM 1448 CG2 THR A 92 -1.722 -12.491 -13.925 1.00 0.00 C ATOM 0 H THR A 92 -0.104 -10.002 -12.756 1.00 0.00 H new ATOM 0 HA THR A 92 -1.628 -9.173 -14.808 1.00 0.00 H new ATOM 0 HB THR A 92 -0.064 -11.229 -14.467 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.290 -12.129 -16.368 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.261 -13.382 -14.351 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.517 -12.452 -12.855 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.799 -12.527 -14.087 1.00 0.00 H new ATOM 1456 N LYS A 93 -4.021 -9.680 -14.808 1.00 0.00 N ATOM 1457 CA LYS A 93 -5.469 -9.716 -14.701 1.00 0.00 C ATOM 1458 C LYS A 93 -5.897 -11.043 -14.068 1.00 0.00 C ATOM 1459 O LYS A 93 -5.858 -12.087 -14.718 1.00 0.00 O ATOM 1460 CB LYS A 93 -6.114 -9.451 -16.064 1.00 0.00 C ATOM 1461 CG LYS A 93 -7.528 -8.889 -15.901 1.00 0.00 C ATOM 1462 CD LYS A 93 -8.482 -9.503 -16.928 1.00 0.00 C ATOM 1463 CE LYS A 93 -9.224 -10.705 -16.339 1.00 0.00 C ATOM 1464 NZ LYS A 93 -10.627 -10.727 -16.806 1.00 0.00 N ATOM 0 H LYS A 93 -3.667 -9.359 -15.709 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.822 -8.920 -14.045 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.502 -8.748 -16.629 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.150 -10.376 -16.639 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.891 -9.094 -14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.509 -7.806 -16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.201 -8.752 -17.256 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.922 -9.814 -17.810 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.723 -11.628 -16.631 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.198 -10.658 -15.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.116 -11.549 -16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.106 -9.854 -16.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.646 -10.794 -17.844 1.00 0.00 H new ATOM 1478 N PRO A 94 -6.303 -10.957 -12.774 1.00 0.00 N ATOM 1479 CA PRO A 94 -6.737 -12.137 -12.045 1.00 0.00 C ATOM 1480 C PRO A 94 -8.133 -12.575 -12.491 1.00 0.00 C ATOM 1481 O PRO A 94 -8.784 -11.883 -13.274 1.00 0.00 O ATOM 1482 CB PRO A 94 -6.680 -11.738 -10.579 1.00 0.00 C ATOM 1483 CG PRO A 94 -6.666 -10.218 -10.562 1.00 0.00 C ATOM 1484 CD PRO A 94 -6.362 -9.739 -11.972 1.00 0.00 C ATOM 0 HA PRO A 94 -6.103 -13.003 -12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.540 -12.127 -10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.789 -12.142 -10.098 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.628 -9.831 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.914 -9.851 -9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.136 -9.063 -12.336 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.419 -9.194 -12.010 1.00 0.00 H new ATOM 1492 N SER A 95 -8.553 -13.720 -11.975 1.00 0.00 N ATOM 1493 CA SER A 95 -9.860 -14.259 -12.311 1.00 0.00 C ATOM 1494 C SER A 95 -10.889 -13.827 -11.263 1.00 0.00 C ATOM 1495 O SER A 95 -10.772 -14.181 -10.091 1.00 0.00 O ATOM 1496 CB SER A 95 -9.817 -15.783 -12.415 1.00 0.00 C ATOM 1497 OG SER A 95 -9.193 -16.379 -11.281 1.00 0.00 O ATOM 0 H SER A 95 -8.011 -14.290 -11.326 1.00 0.00 H new ATOM 0 HA SER A 95 -10.153 -13.864 -13.284 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.832 -16.168 -12.514 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.278 -16.070 -13.318 1.00 0.00 H new ATOM 0 HG SER A 95 -9.462 -15.899 -10.470 1.00 0.00 H new ATOM 1503 N GLU A 96 -11.873 -13.068 -11.723 1.00 0.00 N ATOM 1504 CA GLU A 96 -12.920 -12.584 -10.842 1.00 0.00 C ATOM 1505 C GLU A 96 -13.615 -13.759 -10.148 1.00 0.00 C ATOM 1506 O GLU A 96 -13.698 -14.852 -10.705 1.00 0.00 O ATOM 1507 CB GLU A 96 -13.930 -11.726 -11.607 1.00 0.00 C ATOM 1508 CG GLU A 96 -13.970 -10.302 -11.051 1.00 0.00 C ATOM 1509 CD GLU A 96 -13.305 -9.317 -12.015 1.00 0.00 C ATOM 1510 OE1 GLU A 96 -12.075 -9.132 -11.879 1.00 0.00 O ATOM 1511 OE2 GLU A 96 -14.039 -8.771 -12.866 1.00 0.00 O ATOM 0 H GLU A 96 -11.966 -12.777 -12.696 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.462 -11.954 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.664 -11.700 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.921 -12.175 -11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.004 -10.005 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.463 -10.270 -10.086 1.00 0.00 H new ATOM 1518 N SER A 97 -14.095 -13.493 -8.942 1.00 0.00 N ATOM 1519 CA SER A 97 -14.778 -14.513 -8.167 1.00 0.00 C ATOM 1520 C SER A 97 -15.076 -13.991 -6.760 1.00 0.00 C ATOM 1521 O SER A 97 -14.161 -13.617 -6.027 1.00 0.00 O ATOM 1522 CB SER A 97 -13.950 -15.796 -8.093 1.00 0.00 C ATOM 1523 OG SER A 97 -14.500 -16.837 -8.897 1.00 0.00 O ATOM 0 H SER A 97 -14.024 -12.585 -8.483 1.00 0.00 H new ATOM 0 HA SER A 97 -15.718 -14.748 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.930 -15.588 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.893 -16.131 -7.057 1.00 0.00 H new ATOM 0 HG SER A 97 -14.466 -16.574 -9.841 1.00 0.00 H new ATOM 1529 N ILE A 98 -16.357 -13.982 -6.424 1.00 0.00 N ATOM 1530 CA ILE A 98 -16.785 -13.512 -5.118 1.00 0.00 C ATOM 1531 C ILE A 98 -18.275 -13.807 -4.938 1.00 0.00 C ATOM 1532 O ILE A 98 -19.049 -13.719 -5.891 1.00 0.00 O ATOM 1533 CB ILE A 98 -16.423 -12.037 -4.935 1.00 0.00 C ATOM 1534 CG1 ILE A 98 -16.368 -11.667 -3.451 1.00 0.00 C ATOM 1535 CG2 ILE A 98 -17.383 -11.136 -5.713 1.00 0.00 C ATOM 1536 CD1 ILE A 98 -15.000 -11.086 -3.082 1.00 0.00 C ATOM 0 H ILE A 98 -17.113 -14.293 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.257 -14.046 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.426 -11.877 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -17.149 -10.941 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -16.568 -12.550 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -17.103 -10.093 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.331 -11.379 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -18.400 -11.293 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -14.987 -10.831 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -14.224 -11.823 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -14.814 -10.189 -3.673 1.00 0.00 H new ATOM 1548 N ILE A 99 -18.634 -14.150 -3.711 1.00 0.00 N ATOM 1549 CA ILE A 99 -20.018 -14.458 -3.392 1.00 0.00 C ATOM 1550 C ILE A 99 -20.354 -13.907 -2.005 1.00 0.00 C ATOM 1551 O ILE A 99 -19.459 -13.645 -1.205 1.00 0.00 O ATOM 1552 CB ILE A 99 -20.281 -15.958 -3.540 1.00 0.00 C ATOM 1553 CG1 ILE A 99 -21.752 -16.229 -3.862 1.00 0.00 C ATOM 1554 CG2 ILE A 99 -19.817 -16.720 -2.296 1.00 0.00 C ATOM 1555 CD1 ILE A 99 -21.886 -17.278 -4.968 1.00 0.00 C ATOM 0 H ILE A 99 -17.990 -14.222 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.689 -13.969 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 99 -19.695 -16.326 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.267 -16.573 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -22.237 -15.303 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.015 -17.784 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.748 -16.565 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.357 -16.355 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.941 -17.453 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -21.391 -16.920 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -21.422 -18.209 -4.644 1.00 0.00 H new ATOM 1567 N THR A 100 -21.648 -13.750 -1.763 1.00 0.00 N ATOM 1568 CA THR A 100 -22.112 -13.236 -0.487 1.00 0.00 C ATOM 1569 C THR A 100 -23.514 -13.766 -0.177 1.00 0.00 C ATOM 1570 O THR A 100 -24.271 -14.098 -1.088 1.00 0.00 O ATOM 1571 CB THR A 100 -22.037 -11.708 -0.536 1.00 0.00 C ATOM 1572 OG1 THR A 100 -22.183 -11.310 0.824 1.00 0.00 O ATOM 1573 CG2 THR A 100 -23.246 -11.085 -1.239 1.00 0.00 C ATOM 0 H THR A 100 -22.388 -13.970 -2.429 1.00 0.00 H new ATOM 0 HA THR A 100 -21.480 -13.580 0.331 1.00 0.00 H new ATOM 0 HB THR A 100 -21.124 -11.405 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 100 -22.144 -10.333 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 100 -23.143 -10.000 -1.246 1.00 0.00 H new ATOM 0 HG22 THR A 100 -23.300 -11.452 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 100 -24.157 -11.359 -0.708 1.00 0.00 H new ATOM 1581 N THR A 101 -23.818 -13.828 1.111 1.00 0.00 N ATOM 1582 CA THR A 101 -25.116 -14.311 1.553 1.00 0.00 C ATOM 1583 C THR A 101 -25.644 -13.448 2.700 1.00 0.00 C ATOM 1584 O THR A 101 -24.886 -12.704 3.322 1.00 0.00 O ATOM 1585 CB THR A 101 -24.969 -15.788 1.919 1.00 0.00 C ATOM 1586 OG1 THR A 101 -26.263 -16.160 2.384 1.00 0.00 O ATOM 1587 CG2 THR A 101 -24.062 -16.004 3.133 1.00 0.00 C ATOM 0 H THR A 101 -23.187 -13.552 1.864 1.00 0.00 H new ATOM 0 HA THR A 101 -25.860 -14.230 0.761 1.00 0.00 H new ATOM 0 HB THR A 101 -24.569 -16.335 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 101 -26.259 -17.106 2.642 1.00 0.00 H new ATOM 0 HG21 THR A 101 -23.992 -17.070 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 101 -23.068 -15.611 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 101 -24.479 -15.485 3.996 1.00 0.00 H new ATOM 1595 N ILE A 102 -26.938 -13.577 2.947 1.00 0.00 N ATOM 1596 CA ILE A 102 -27.577 -12.819 4.011 1.00 0.00 C ATOM 1597 C ILE A 102 -28.050 -13.780 5.104 1.00 0.00 C ATOM 1598 O ILE A 102 -27.908 -13.494 6.290 1.00 0.00 O ATOM 1599 CB ILE A 102 -28.690 -11.936 3.444 1.00 0.00 C ATOM 1600 CG1 ILE A 102 -29.085 -10.845 4.442 1.00 0.00 C ATOM 1601 CG2 ILE A 102 -29.891 -12.778 3.011 1.00 0.00 C ATOM 1602 CD1 ILE A 102 -28.058 -9.710 4.447 1.00 0.00 C ATOM 0 H ILE A 102 -27.563 -14.195 2.429 1.00 0.00 H new ATOM 0 HA ILE A 102 -26.864 -12.137 4.474 1.00 0.00 H new ATOM 0 HB ILE A 102 -28.310 -11.436 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -30.068 -10.450 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -29.165 -11.273 5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -30.668 -12.126 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -29.581 -13.486 2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -30.282 -13.324 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -28.362 -8.948 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -27.081 -10.104 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -27.998 -9.269 3.452 1.00 0.00 H new ATOM 1614 N ASP A 103 -28.604 -14.901 4.662 1.00 0.00 N ATOM 1615 CA ASP A 103 -29.099 -15.905 5.587 1.00 0.00 C ATOM 1616 C ASP A 103 -29.892 -16.959 4.813 1.00 0.00 C ATOM 1617 O ASP A 103 -29.456 -18.102 4.689 1.00 0.00 O ATOM 1618 CB ASP A 103 -30.032 -15.283 6.629 1.00 0.00 C ATOM 1619 CG ASP A 103 -29.673 -15.591 8.084 1.00 0.00 C ATOM 1620 OD1 ASP A 103 -30.043 -16.694 8.539 1.00 0.00 O ATOM 1621 OD2 ASP A 103 -29.036 -14.715 8.709 1.00 0.00 O ATOM 0 H ASP A 103 -28.720 -15.135 3.676 1.00 0.00 H new ATOM 0 HA ASP A 103 -28.241 -16.350 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -30.035 -14.202 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -31.047 -15.631 6.439 1.00 0.00 H new ATOM 1626 N SER A 104 -31.044 -16.536 4.310 1.00 0.00 N ATOM 1627 CA SER A 104 -31.902 -17.429 3.551 1.00 0.00 C ATOM 1628 C SER A 104 -32.611 -18.402 4.495 1.00 0.00 C ATOM 1629 O SER A 104 -31.964 -19.095 5.281 1.00 0.00 O ATOM 1630 CB SER A 104 -31.101 -18.201 2.499 1.00 0.00 C ATOM 1631 OG SER A 104 -31.808 -18.313 1.267 1.00 0.00 O ATOM 0 H SER A 104 -31.402 -15.587 4.414 1.00 0.00 H new ATOM 0 HA SER A 104 -32.648 -16.827 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 104 -30.149 -17.698 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 104 -30.871 -19.197 2.877 1.00 0.00 H new ATOM 0 HG SER A 104 -31.264 -18.810 0.621 1.00 0.00 H new TER 1637 SER A 104 HETATM 1638 FE HEM A 105 -8.263 5.149 -17.633 1.00 0.00 FE HETATM 1639 CHA HEM A 105 -10.928 6.905 -18.766 1.00 0.00 C HETATM 1640 CHB HEM A 105 -7.087 4.849 -20.852 1.00 0.00 C HETATM 1641 CHC HEM A 105 -5.701 3.195 -16.496 1.00 0.00 C HETATM 1642 CHD HEM A 105 -9.298 5.610 -14.407 1.00 0.00 C HETATM 1643 NA HEM A 105 -8.899 5.747 -19.422 1.00 0.00 N HETATM 1644 C1A HEM A 105 -10.067 6.383 -19.722 1.00 0.00 C HETATM 1645 C2A HEM A 105 -10.233 6.486 -21.186 1.00 0.00 C HETATM 1646 C3A HEM A 105 -9.112 5.974 -21.785 1.00 0.00 C HETATM 1647 C4A HEM A 105 -8.280 5.526 -20.691 1.00 0.00 C HETATM 1648 CMA HEM A 105 -8.799 5.883 -23.277 1.00 0.00 C HETATM 1649 CAA HEM A 105 -11.462 7.022 -21.890 1.00 0.00 C HETATM 1650 CBA HEM A 105 -12.633 6.056 -21.782 1.00 0.00 C HETATM 1651 CGA HEM A 105 -12.192 4.607 -21.758 1.00 0.00 C HETATM 1652 O1A HEM A 105 -12.891 3.780 -21.143 1.00 0.00 O HETATM 1653 O2A HEM A 105 -11.125 4.288 -22.313 1.00 0.00 O HETATM 1654 NB HEM A 105 -6.722 4.250 -18.475 1.00 0.00 N HETATM 1655 C1B HEM A 105 -6.360 4.240 -19.833 1.00 0.00 C HETATM 1656 C2B HEM A 105 -5.150 3.462 -20.049 1.00 0.00 C HETATM 1657 C3B HEM A 105 -4.800 2.942 -18.816 1.00 0.00 C HETATM 1658 C4B HEM A 105 -5.755 3.464 -17.866 1.00 0.00 C HETATM 1659 CMB HEM A 105 -4.493 3.193 -21.402 1.00 0.00 C HETATM 1660 CAB HEM A 105 -3.888 1.913 -18.486 1.00 0.00 C HETATM 1661 CBB HEM A 105 -2.580 1.731 -18.872 1.00 0.00 C HETATM 1662 NC HEM A 105 -7.632 4.531 -15.846 1.00 0.00 N HETATM 1663 C1C HEM A 105 -6.567 3.684 -15.563 1.00 0.00 C HETATM 1664 C2C HEM A 105 -6.454 3.391 -14.118 1.00 0.00 C HETATM 1665 C3C HEM A 105 -7.480 4.081 -13.538 1.00 0.00 C HETATM 1666 C4C HEM A 105 -8.183 4.806 -14.605 1.00 0.00 C HETATM 1667 CMC HEM A 105 -5.393 2.454 -13.489 1.00 0.00 C HETATM 1668 CAC HEM A 105 -7.825 4.124 -12.179 1.00 0.00 C HETATM 1669 CBC HEM A 105 -6.862 4.234 -11.188 1.00 0.00 C HETATM 1670 ND HEM A 105 -9.819 6.039 -16.755 1.00 0.00 N HETATM 1671 C1D HEM A 105 -10.076 6.182 -15.387 1.00 0.00 C HETATM 1672 C2D HEM A 105 -11.222 7.021 -15.153 1.00 0.00 C HETATM 1673 C3D HEM A 105 -11.640 7.417 -16.368 1.00 0.00 C HETATM 1674 C4D HEM A 105 -10.812 6.765 -17.374 1.00 0.00 C HETATM 1675 CMD HEM A 105 -11.872 7.356 -13.818 1.00 0.00 C HETATM 1676 CAD HEM A 105 -12.707 8.445 -16.654 1.00 0.00 C HETATM 1677 CBD HEM A 105 -14.050 7.776 -16.811 1.00 0.00 C HETATM 1678 CGD HEM A 105 -14.779 8.248 -18.046 1.00 0.00 C HETATM 1679 O1D HEM A 105 -14.093 8.654 -19.008 1.00 0.00 O HETATM 1680 O2D HEM A 105 -16.032 8.203 -18.066 1.00 0.00 O HETATM 0 HMA1 HEM A 105 -9.728 5.785 -23.838 1.00 0.00 H new HETATM 0 HMA2 HEM A 105 -8.169 5.014 -23.464 1.00 0.00 H new HETATM 0 HMA3 HEM A 105 -8.276 6.785 -23.595 1.00 0.00 H new HETATM 0 HMB1 HEM A 105 -5.256 3.177 -22.180 1.00 0.00 H new HETATM 0 HMB2 HEM A 105 -3.983 2.230 -21.374 1.00 0.00 H new HETATM 0 HMB3 HEM A 105 -3.770 3.980 -21.618 1.00 0.00 H new HETATM 0 HMC1 HEM A 105 -5.164 2.791 -12.478 1.00 0.00 H new HETATM 0 HMC2 HEM A 105 -4.486 2.475 -14.093 1.00 0.00 H new HETATM 0 HMC3 HEM A 105 -5.782 1.436 -13.453 1.00 0.00 H new HETATM 0 HMD1 HEM A 105 -11.734 6.524 -13.127 1.00 0.00 H new HETATM 0 HMD2 HEM A 105 -12.937 7.532 -13.966 1.00 0.00 H new HETATM 0 HMD3 HEM A 105 -11.411 8.252 -13.403 1.00 0.00 H new HETATM 0 HBB1 HEM A 105 -2.021 0.866 -18.514 1.00 0.00 H new HETATM 0 HBB2 HEM A 105 -2.102 2.452 -19.536 1.00 0.00 H new HETATM 0 HBC1 HEM A 105 -7.160 4.265 -10.140 1.00 0.00 H new HETATM 0 HBC2 HEM A 105 -5.807 4.289 -11.457 1.00 0.00 H new HETATM 0 HBA1 HEM A 105 -13.308 6.213 -22.624 1.00 0.00 H new HETATM 0 HBA2 HEM A 105 -13.198 6.275 -20.876 1.00 0.00 H new HETATM 0 HAA1 HEM A 105 -11.232 7.200 -22.940 1.00 0.00 H new HETATM 0 HAA2 HEM A 105 -11.741 7.983 -21.457 1.00 0.00 H new HETATM 0 HBD1 HEM A 105 -14.660 7.978 -15.931 1.00 0.00 H new HETATM 0 HBD2 HEM A 105 -13.913 6.696 -16.862 1.00 0.00 H new HETATM 0 HAD1 HEM A 105 -12.458 8.994 -17.562 1.00 0.00 H new HETATM 0 HAD2 HEM A 105 -12.748 9.172 -15.843 1.00 0.00 H new HETATM 0 HHA HEM A 105 -11.770 7.475 -19.129 1.00 0.00 H new HETATM 0 HHB HEM A 105 -6.684 4.787 -21.852 1.00 0.00 H new HETATM 0 HHC HEM A 105 -4.910 2.548 -16.148 1.00 0.00 H new HETATM 0 HHD HEM A 105 -9.582 5.805 -13.384 1.00 0.00 H new HETATM 0 HAB HEM A 105 -4.283 1.144 -17.822 1.00 0.00 H new HETATM 0 HAC HEM A 105 -8.876 4.070 -11.895 1.00 0.00 H new