USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 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 Set 1.1: A 10 ASN : amide:sc= -1.99 K(o=-3.8,f=0.058) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -1.84 K(o=-3.8,f=0.058) USER MOD Single : A 12 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0687) USER MOD Single : A 19 SER OG : rot 95:sc= 0.581 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -158:sc= -0.0802 (180deg=-0.316) USER MOD Single : A 29 ASN : amide:sc= -2.66 K(o=-2.7,f=-3.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 37 TYR OH : rot -153:sc= -0.969 USER MOD Single : A 38 GLN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0256 X(o=-0.026,f=0.0005) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00368 X(o=-0.0037,f=-0.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= -4.93! USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.016 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.119 K(o=-0.12,f=-1) USER MOD Single : B 122 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.024) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.884 -7.940 3.005 1.00 2.20 N ATOM 2 CA ASN A 10 -10.459 -7.671 2.867 1.00 62.10 C ATOM 3 C ASN A 10 -10.114 -7.282 1.433 1.00 72.20 C ATOM 4 O ASN A 10 -9.411 -6.299 1.199 1.00 40.30 O ATOM 5 CB ASN A 10 -9.644 -8.896 3.285 1.00 1.03 C ATOM 6 CG ASN A 10 -9.472 -8.991 4.789 1.00 45.30 C ATOM 7 OD1 ASN A 10 -10.430 -8.832 5.546 1.00 52.30 O ATOM 8 ND2 ASN A 10 -8.247 -9.249 5.229 1.00 34.50 N ATOM 0 HA ASN A 10 -10.208 -6.836 3.521 1.00 62.10 H new ATOM 0 HB2 ASN A 10 -10.136 -9.798 2.921 1.00 1.03 H new ATOM 0 HB3 ASN A 10 -8.663 -8.855 2.812 1.00 1.03 H new ATOM 0 HD21 ASN A 10 -8.070 -9.323 6.231 1.00 34.50 H new ATOM 0 HD22 ASN A 10 -7.482 -9.374 4.565 1.00 34.50 H new ATOM 15 N LEU A 11 -10.613 -8.059 0.478 1.00 74.40 N ATOM 16 CA LEU A 11 -10.353 -7.793 -0.930 1.00 22.40 C ATOM 17 C LEU A 11 -11.044 -6.509 -1.379 1.00 34.30 C ATOM 18 O LEU A 11 -10.464 -5.702 -2.103 1.00 11.40 O ATOM 19 CB LEU A 11 -10.837 -8.968 -1.787 1.00 25.40 C ATOM 20 CG LEU A 11 -9.933 -10.201 -1.761 1.00 51.20 C ATOM 21 CD1 LEU A 11 -10.313 -11.117 -0.608 1.00 12.30 C ATOM 22 CD2 LEU A 11 -10.010 -10.945 -3.086 1.00 60.50 C ATOM 0 H LEU A 11 -11.198 -8.876 0.653 1.00 74.40 H new ATOM 0 HA LEU A 11 -9.278 -7.671 -1.059 1.00 22.40 H new ATOM 0 HB2 LEU A 11 -11.832 -9.258 -1.450 1.00 25.40 H new ATOM 0 HB3 LEU A 11 -10.936 -8.630 -2.818 1.00 25.40 H new ATOM 0 HG LEU A 11 -8.905 -9.872 -1.611 1.00 51.20 H new ATOM 0 HD11 LEU A 11 -9.659 -11.989 -0.605 1.00 12.30 H new ATOM 0 HD12 LEU A 11 -10.205 -10.580 0.334 1.00 12.30 H new ATOM 0 HD13 LEU A 11 -11.348 -11.440 -0.725 1.00 12.30 H new ATOM 0 HD21 LEU A 11 -9.361 -11.820 -3.050 1.00 60.50 H new ATOM 0 HD22 LEU A 11 -11.037 -11.263 -3.266 1.00 60.50 H new ATOM 0 HD23 LEU A 11 -9.687 -10.286 -3.892 1.00 60.50 H new ATOM 34 N GLN A 12 -12.287 -6.327 -0.943 1.00 3.13 N ATOM 35 CA GLN A 12 -13.049 -5.135 -1.293 1.00 3.25 C ATOM 36 C GLN A 12 -12.384 -3.875 -0.752 1.00 32.40 C ATOM 37 O GLN A 12 -12.230 -2.891 -1.472 1.00 32.10 O ATOM 38 CB GLN A 12 -14.476 -5.244 -0.753 1.00 24.40 C ATOM 39 CG GLN A 12 -15.409 -6.049 -1.650 1.00 52.10 C ATOM 40 CD GLN A 12 -16.305 -5.167 -2.494 1.00 23.20 C ATOM 41 OE1 GLN A 12 -17.519 -5.353 -2.531 1.00 41.50 O ATOM 42 NE2 GLN A 12 -15.710 -4.203 -3.185 1.00 23.00 N ATOM 0 H GLN A 12 -12.786 -6.989 -0.348 1.00 3.13 H new ATOM 0 HA GLN A 12 -13.079 -5.063 -2.380 1.00 3.25 H new ATOM 0 HB2 GLN A 12 -14.448 -5.705 0.234 1.00 24.40 H new ATOM 0 HB3 GLN A 12 -14.884 -4.242 -0.625 1.00 24.40 H new ATOM 0 HG2 GLN A 12 -14.817 -6.690 -2.303 1.00 52.10 H new ATOM 0 HG3 GLN A 12 -16.025 -6.704 -1.034 1.00 52.10 H new ATOM 0 HE21 GLN A 12 -14.699 -4.083 -3.126 1.00 23.00 H new ATOM 0 HE22 GLN A 12 -16.264 -3.582 -3.775 1.00 23.00 H new ATOM 51 N LYS A 13 -12.000 -3.921 0.515 1.00 5.01 N ATOM 52 CA LYS A 13 -11.350 -2.782 1.153 1.00 74.40 C ATOM 53 C LYS A 13 -9.977 -2.525 0.540 1.00 13.30 C ATOM 54 O LYS A 13 -9.542 -1.380 0.422 1.00 64.20 O ATOM 55 CB LYS A 13 -11.212 -3.024 2.658 1.00 43.20 C ATOM 56 CG LYS A 13 -12.404 -2.532 3.464 1.00 30.30 C ATOM 57 CD LYS A 13 -13.476 -3.602 3.583 1.00 20.30 C ATOM 58 CE LYS A 13 -14.709 -3.077 4.303 1.00 53.30 C ATOM 59 NZ LYS A 13 -14.419 -2.734 5.722 1.00 33.30 N ATOM 0 H LYS A 13 -12.126 -4.731 1.122 1.00 5.01 H new ATOM 0 HA LYS A 13 -11.972 -1.902 0.989 1.00 74.40 H new ATOM 0 HB2 LYS A 13 -11.079 -4.091 2.836 1.00 43.20 H new ATOM 0 HB3 LYS A 13 -10.311 -2.527 3.017 1.00 43.20 H new ATOM 0 HG2 LYS A 13 -12.074 -2.234 4.459 1.00 30.30 H new ATOM 0 HG3 LYS A 13 -12.825 -1.645 2.989 1.00 30.30 H new ATOM 0 HD2 LYS A 13 -13.755 -3.951 2.589 1.00 20.30 H new ATOM 0 HD3 LYS A 13 -13.076 -4.461 4.122 1.00 20.30 H new ATOM 0 HE2 LYS A 13 -15.083 -2.194 3.785 1.00 53.30 H new ATOM 0 HE3 LYS A 13 -15.499 -3.827 4.265 1.00 53.30 H new ATOM 0 HZ1 LYS A 13 -15.306 -2.494 6.209 1.00 33.30 H new ATOM 0 HZ2 LYS A 13 -13.975 -3.549 6.192 1.00 33.30 H new ATOM 0 HZ3 LYS A 13 -13.773 -1.920 5.757 1.00 33.30 H new ATOM 73 N ALA A 14 -9.298 -3.600 0.151 1.00 41.10 N ATOM 74 CA ALA A 14 -7.974 -3.491 -0.449 1.00 33.00 C ATOM 75 C ALA A 14 -8.018 -2.660 -1.727 1.00 74.40 C ATOM 76 O ALA A 14 -7.250 -1.712 -1.889 1.00 31.50 O ATOM 77 CB ALA A 14 -7.410 -4.875 -0.736 1.00 23.50 C ATOM 0 H ALA A 14 -9.643 -4.556 0.241 1.00 41.10 H new ATOM 0 HA ALA A 14 -7.320 -2.984 0.261 1.00 33.00 H new ATOM 0 HB1 ALA A 14 -6.421 -4.779 -1.184 1.00 23.50 H new ATOM 0 HB2 ALA A 14 -7.334 -5.437 0.195 1.00 23.50 H new ATOM 0 HB3 ALA A 14 -8.071 -5.401 -1.425 1.00 23.50 H new ATOM 83 N ILE A 15 -8.921 -3.023 -2.632 1.00 2.21 N ATOM 84 CA ILE A 15 -9.065 -2.310 -3.896 1.00 64.40 C ATOM 85 C ILE A 15 -9.715 -0.947 -3.687 1.00 12.50 C ATOM 86 O ILE A 15 -9.397 0.016 -4.384 1.00 45.40 O ATOM 87 CB ILE A 15 -9.905 -3.118 -4.904 1.00 15.40 C ATOM 88 CG1 ILE A 15 -9.395 -4.556 -4.983 1.00 13.50 C ATOM 89 CG2 ILE A 15 -9.862 -2.455 -6.271 1.00 0.41 C ATOM 90 CD1 ILE A 15 -7.944 -4.664 -5.404 1.00 52.40 C ATOM 0 H ILE A 15 -9.564 -3.806 -2.514 1.00 2.21 H new ATOM 0 HA ILE A 15 -8.061 -2.173 -4.298 1.00 64.40 H new ATOM 0 HB ILE A 15 -10.941 -3.140 -4.565 1.00 15.40 H new ATOM 0 HG12 ILE A 15 -9.518 -5.030 -4.009 1.00 13.50 H new ATOM 0 HG13 ILE A 15 -10.012 -5.113 -5.689 1.00 13.50 H new ATOM 0 HG21 ILE A 15 -10.459 -3.034 -6.975 1.00 0.41 H new ATOM 0 HG22 ILE A 15 -10.265 -1.445 -6.198 1.00 0.41 H new ATOM 0 HG23 ILE A 15 -8.831 -2.409 -6.621 1.00 0.41 H new ATOM 0 HD11 ILE A 15 -7.652 -5.714 -5.438 1.00 52.40 H new ATOM 0 HD12 ILE A 15 -7.818 -4.220 -6.391 1.00 52.40 H new ATOM 0 HD13 ILE A 15 -7.317 -4.136 -4.686 1.00 52.40 H new ATOM 102 N ASP A 16 -10.627 -0.874 -2.723 1.00 31.40 N ATOM 103 CA ASP A 16 -11.322 0.373 -2.423 1.00 21.10 C ATOM 104 C ASP A 16 -10.373 1.386 -1.791 1.00 62.40 C ATOM 105 O ASP A 16 -10.356 2.556 -2.172 1.00 1.23 O ATOM 106 CB ASP A 16 -12.503 0.110 -1.488 1.00 4.42 C ATOM 107 CG ASP A 16 -13.349 1.348 -1.262 1.00 22.50 C ATOM 108 OD1 ASP A 16 -13.931 1.856 -2.243 1.00 60.00 O ATOM 109 OD2 ASP A 16 -13.428 1.809 -0.104 1.00 22.10 O ATOM 0 H ASP A 16 -10.902 -1.662 -2.137 1.00 31.40 H new ATOM 0 HA ASP A 16 -11.695 0.787 -3.360 1.00 21.10 H new ATOM 0 HB2 ASP A 16 -13.126 -0.680 -1.907 1.00 4.42 H new ATOM 0 HB3 ASP A 16 -12.130 -0.252 -0.530 1.00 4.42 H new ATOM 114 N LEU A 17 -9.587 0.928 -0.822 1.00 24.20 N ATOM 115 CA LEU A 17 -8.635 1.795 -0.137 1.00 20.30 C ATOM 116 C LEU A 17 -7.505 2.209 -1.072 1.00 44.30 C ATOM 117 O LEU A 17 -7.182 3.392 -1.187 1.00 71.20 O ATOM 118 CB LEU A 17 -8.062 1.088 1.093 1.00 61.40 C ATOM 119 CG LEU A 17 -8.964 1.105 2.328 1.00 71.30 C ATOM 120 CD1 LEU A 17 -8.757 -0.153 3.157 1.00 4.14 C ATOM 121 CD2 LEU A 17 -8.694 2.346 3.165 1.00 2.44 C ATOM 0 H LEU A 17 -9.590 -0.038 -0.494 1.00 24.20 H new ATOM 0 HA LEU A 17 -9.165 2.692 0.182 1.00 20.30 H new ATOM 0 HB2 LEU A 17 -7.849 0.051 0.831 1.00 61.40 H new ATOM 0 HB3 LEU A 17 -7.110 1.553 1.350 1.00 61.40 H new ATOM 0 HG LEU A 17 -10.002 1.131 1.997 1.00 71.30 H new ATOM 0 HD11 LEU A 17 -9.407 -0.123 4.032 1.00 4.14 H new ATOM 0 HD12 LEU A 17 -8.998 -1.029 2.555 1.00 4.14 H new ATOM 0 HD13 LEU A 17 -7.717 -0.209 3.479 1.00 4.14 H new ATOM 0 HD21 LEU A 17 -9.344 2.343 4.040 1.00 2.44 H new ATOM 0 HD22 LEU A 17 -7.652 2.349 3.486 1.00 2.44 H new ATOM 0 HD23 LEU A 17 -8.892 3.237 2.569 1.00 2.44 H new ATOM 133 N ALA A 18 -6.906 1.229 -1.740 1.00 74.20 N ATOM 134 CA ALA A 18 -5.811 1.491 -2.666 1.00 14.20 C ATOM 135 C ALA A 18 -6.257 2.412 -3.796 1.00 4.31 C ATOM 136 O ALA A 18 -5.468 3.199 -4.317 1.00 64.50 O ATOM 137 CB ALA A 18 -5.272 0.185 -3.228 1.00 33.30 C ATOM 0 H ALA A 18 -7.161 0.245 -1.657 1.00 74.20 H new ATOM 0 HA ALA A 18 -5.015 1.993 -2.116 1.00 14.20 H new ATOM 0 HB1 ALA A 18 -4.455 0.396 -3.918 1.00 33.30 H new ATOM 0 HB2 ALA A 18 -4.907 -0.439 -2.412 1.00 33.30 H new ATOM 0 HB3 ALA A 18 -6.068 -0.339 -3.757 1.00 33.30 H new ATOM 143 N SER A 19 -7.528 2.308 -4.170 1.00 14.10 N ATOM 144 CA SER A 19 -8.080 3.133 -5.240 1.00 32.20 C ATOM 145 C SER A 19 -8.271 4.573 -4.772 1.00 64.10 C ATOM 146 O SER A 19 -8.058 5.516 -5.534 1.00 32.40 O ATOM 147 CB SER A 19 -9.413 2.558 -5.718 1.00 35.20 C ATOM 148 OG SER A 19 -9.213 1.542 -6.686 1.00 2.31 O ATOM 0 H SER A 19 -8.195 1.661 -3.749 1.00 14.10 H new ATOM 0 HA SER A 19 -7.373 3.131 -6.070 1.00 32.20 H new ATOM 0 HB2 SER A 19 -9.963 2.152 -4.869 1.00 35.20 H new ATOM 0 HB3 SER A 19 -10.024 3.354 -6.143 1.00 35.20 H new ATOM 0 HG SER A 19 -9.219 0.666 -6.247 1.00 2.31 H new ATOM 154 N LYS A 20 -8.674 4.733 -3.516 1.00 21.30 N ATOM 155 CA LYS A 20 -8.895 6.057 -2.948 1.00 2.24 C ATOM 156 C LYS A 20 -7.569 6.777 -2.715 1.00 11.00 C ATOM 157 O LYS A 20 -7.460 7.984 -2.933 1.00 61.30 O ATOM 158 CB LYS A 20 -9.667 5.949 -1.631 1.00 25.40 C ATOM 159 CG LYS A 20 -10.369 7.235 -1.231 1.00 52.30 C ATOM 160 CD LYS A 20 -11.678 6.953 -0.509 1.00 0.02 C ATOM 161 CE LYS A 20 -12.010 8.051 0.488 1.00 2.31 C ATOM 162 NZ LYS A 20 -12.924 9.073 -0.095 1.00 13.50 N ATOM 0 H LYS A 20 -8.854 3.962 -2.873 1.00 21.30 H new ATOM 0 HA LYS A 20 -9.484 6.636 -3.660 1.00 2.24 H new ATOM 0 HB2 LYS A 20 -10.406 5.153 -1.717 1.00 25.40 H new ATOM 0 HB3 LYS A 20 -8.978 5.659 -0.838 1.00 25.40 H new ATOM 0 HG2 LYS A 20 -9.715 7.822 -0.586 1.00 52.30 H new ATOM 0 HG3 LYS A 20 -10.564 7.836 -2.119 1.00 52.30 H new ATOM 0 HD2 LYS A 20 -12.485 6.864 -1.237 1.00 0.02 H new ATOM 0 HD3 LYS A 20 -11.610 5.997 0.010 1.00 0.02 H new ATOM 0 HE2 LYS A 20 -12.473 7.611 1.371 1.00 2.31 H new ATOM 0 HE3 LYS A 20 -11.089 8.533 0.817 1.00 2.31 H new ATOM 0 HZ1 LYS A 20 -13.126 9.804 0.616 1.00 13.50 H new ATOM 0 HZ2 LYS A 20 -12.472 9.511 -0.923 1.00 13.50 H new ATOM 0 HZ3 LYS A 20 -13.813 8.618 -0.386 1.00 13.50 H new ATOM 176 N ALA A 21 -6.564 6.028 -2.272 1.00 31.40 N ATOM 177 CA ALA A 21 -5.247 6.594 -2.011 1.00 1.05 C ATOM 178 C ALA A 21 -4.655 7.212 -3.272 1.00 62.10 C ATOM 179 O ALA A 21 -4.165 8.341 -3.251 1.00 2.03 O ATOM 180 CB ALA A 21 -4.315 5.527 -1.456 1.00 63.10 C ATOM 0 H ALA A 21 -6.637 5.028 -2.087 1.00 31.40 H new ATOM 0 HA ALA A 21 -5.359 7.385 -1.269 1.00 1.05 H new ATOM 0 HB1 ALA A 21 -3.335 5.964 -1.266 1.00 63.10 H new ATOM 0 HB2 ALA A 21 -4.725 5.135 -0.525 1.00 63.10 H new ATOM 0 HB3 ALA A 21 -4.217 4.717 -2.179 1.00 63.10 H new ATOM 186 N ALA A 22 -4.704 6.464 -4.370 1.00 61.00 N ATOM 187 CA ALA A 22 -4.172 6.939 -5.642 1.00 35.20 C ATOM 188 C ALA A 22 -5.019 8.077 -6.201 1.00 21.00 C ATOM 189 O ALA A 22 -4.493 9.032 -6.772 1.00 72.30 O ATOM 190 CB ALA A 22 -4.097 5.795 -6.641 1.00 63.30 C ATOM 0 H ALA A 22 -5.106 5.527 -4.404 1.00 61.00 H new ATOM 0 HA ALA A 22 -3.167 7.322 -5.467 1.00 35.20 H new ATOM 0 HB1 ALA A 22 -3.698 6.163 -7.586 1.00 63.30 H new ATOM 0 HB2 ALA A 22 -3.444 5.014 -6.251 1.00 63.30 H new ATOM 0 HB3 ALA A 22 -5.095 5.387 -6.802 1.00 63.30 H new ATOM 196 N GLN A 23 -6.332 7.968 -6.031 1.00 45.10 N ATOM 197 CA GLN A 23 -7.253 8.989 -6.519 1.00 43.20 C ATOM 198 C GLN A 23 -6.961 10.339 -5.872 1.00 15.20 C ATOM 199 O GLN A 23 -7.067 11.383 -6.516 1.00 64.40 O ATOM 200 CB GLN A 23 -8.699 8.578 -6.237 1.00 64.30 C ATOM 201 CG GLN A 23 -9.721 9.352 -7.053 1.00 10.30 C ATOM 202 CD GLN A 23 -10.967 9.690 -6.257 1.00 54.10 C ATOM 203 OE1 GLN A 23 -11.938 8.934 -6.251 1.00 65.40 O ATOM 204 NE2 GLN A 23 -10.944 10.832 -5.579 1.00 72.10 N ATOM 0 H GLN A 23 -6.783 7.184 -5.559 1.00 45.10 H new ATOM 0 HA GLN A 23 -7.113 9.084 -7.596 1.00 43.20 H new ATOM 0 HB2 GLN A 23 -8.812 7.514 -6.443 1.00 64.30 H new ATOM 0 HB3 GLN A 23 -8.909 8.721 -5.177 1.00 64.30 H new ATOM 0 HG2 GLN A 23 -9.267 10.273 -7.418 1.00 10.30 H new ATOM 0 HG3 GLN A 23 -10.001 8.766 -7.928 1.00 10.30 H new ATOM 0 HE21 GLN A 23 -10.117 11.428 -5.613 1.00 72.10 H new ATOM 0 HE22 GLN A 23 -11.753 11.112 -5.025 1.00 72.10 H new ATOM 213 N GLU A 24 -6.593 10.311 -4.596 1.00 3.34 N ATOM 214 CA GLU A 24 -6.285 11.533 -3.862 1.00 32.20 C ATOM 215 C GLU A 24 -4.942 12.108 -4.299 1.00 75.40 C ATOM 216 O GLU A 24 -4.742 13.322 -4.288 1.00 53.40 O ATOM 217 CB GLU A 24 -6.269 11.258 -2.356 1.00 1.22 C ATOM 218 CG GLU A 24 -7.621 11.450 -1.688 1.00 13.10 C ATOM 219 CD GLU A 24 -8.373 10.146 -1.509 1.00 42.40 C ATOM 220 OE1 GLU A 24 -9.130 9.766 -2.427 1.00 40.30 O ATOM 221 OE2 GLU A 24 -8.206 9.505 -0.451 1.00 72.20 O ATOM 0 H GLU A 24 -6.501 9.455 -4.048 1.00 3.34 H new ATOM 0 HA GLU A 24 -7.062 12.265 -4.083 1.00 32.20 H new ATOM 0 HB2 GLU A 24 -5.931 10.236 -2.185 1.00 1.22 H new ATOM 0 HB3 GLU A 24 -5.542 11.918 -1.882 1.00 1.22 H new ATOM 0 HG2 GLU A 24 -7.478 11.919 -0.715 1.00 13.10 H new ATOM 0 HG3 GLU A 24 -8.224 12.134 -2.286 1.00 13.10 H new ATOM 228 N ASP A 25 -4.026 11.226 -4.686 1.00 22.10 N ATOM 229 CA ASP A 25 -2.701 11.646 -5.129 1.00 53.00 C ATOM 230 C ASP A 25 -2.798 12.556 -6.348 1.00 62.30 C ATOM 231 O ASP A 25 -2.093 13.561 -6.443 1.00 2.44 O ATOM 232 CB ASP A 25 -1.839 10.425 -5.456 1.00 2.12 C ATOM 233 CG ASP A 25 -0.356 10.707 -5.307 1.00 54.30 C ATOM 234 OD1 ASP A 25 0.211 11.380 -6.192 1.00 4.33 O ATOM 235 OD2 ASP A 25 0.236 10.255 -4.304 1.00 11.20 O ATOM 0 H ASP A 25 -4.176 10.217 -4.702 1.00 22.10 H new ATOM 0 HA ASP A 25 -2.234 12.205 -4.318 1.00 53.00 H new ATOM 0 HB2 ASP A 25 -2.117 9.601 -4.799 1.00 2.12 H new ATOM 0 HB3 ASP A 25 -2.044 10.102 -6.477 1.00 2.12 H new ATOM 240 N LYS A 26 -3.675 12.198 -7.280 1.00 34.40 N ATOM 241 CA LYS A 26 -3.866 12.982 -8.494 1.00 1.50 C ATOM 242 C LYS A 26 -4.774 14.179 -8.232 1.00 13.20 C ATOM 243 O LYS A 26 -4.569 15.260 -8.782 1.00 31.30 O ATOM 244 CB LYS A 26 -4.457 12.110 -9.603 1.00 43.00 C ATOM 245 CG LYS A 26 -3.407 11.427 -10.465 1.00 30.50 C ATOM 246 CD LYS A 26 -3.120 12.223 -11.728 1.00 23.20 C ATOM 247 CE LYS A 26 -4.040 11.810 -12.866 1.00 43.40 C ATOM 248 NZ LYS A 26 -3.742 10.434 -13.350 1.00 4.23 N ATOM 0 H LYS A 26 -4.265 11.369 -7.217 1.00 34.40 H new ATOM 0 HA LYS A 26 -2.892 13.352 -8.814 1.00 1.50 H new ATOM 0 HB2 LYS A 26 -5.097 11.350 -9.154 1.00 43.00 H new ATOM 0 HB3 LYS A 26 -5.092 12.727 -10.239 1.00 43.00 H new ATOM 0 HG2 LYS A 26 -2.487 11.306 -9.893 1.00 30.50 H new ATOM 0 HG3 LYS A 26 -3.749 10.427 -10.733 1.00 30.50 H new ATOM 0 HD2 LYS A 26 -3.244 13.287 -11.525 1.00 23.20 H new ATOM 0 HD3 LYS A 26 -2.082 12.074 -12.025 1.00 23.20 H new ATOM 0 HE2 LYS A 26 -5.076 11.861 -12.532 1.00 43.40 H new ATOM 0 HE3 LYS A 26 -3.936 12.515 -13.691 1.00 43.40 H new ATOM 0 HZ1 LYS A 26 -4.100 10.322 -14.320 1.00 4.23 H new ATOM 0 HZ2 LYS A 26 -2.714 10.277 -13.340 1.00 4.23 H new ATOM 0 HZ3 LYS A 26 -4.204 9.740 -12.729 1.00 4.23 H new ATOM 262 N ALA A 27 -5.782 13.977 -7.388 1.00 3.44 N ATOM 263 CA ALA A 27 -6.723 15.038 -7.054 1.00 51.00 C ATOM 264 C ALA A 27 -6.012 16.213 -6.391 1.00 31.40 C ATOM 265 O ALA A 27 -6.342 17.372 -6.641 1.00 13.50 O ATOM 266 CB ALA A 27 -7.820 14.503 -6.146 1.00 14.40 C ATOM 0 H ALA A 27 -5.967 13.088 -6.924 1.00 3.44 H new ATOM 0 HA ALA A 27 -7.174 15.395 -7.980 1.00 51.00 H new ATOM 0 HB1 ALA A 27 -8.516 15.306 -5.904 1.00 14.40 H new ATOM 0 HB2 ALA A 27 -8.354 13.701 -6.655 1.00 14.40 H new ATOM 0 HB3 ALA A 27 -7.377 14.118 -5.227 1.00 14.40 H new ATOM 272 N GLY A 28 -5.034 15.906 -5.546 1.00 73.10 N ATOM 273 CA GLY A 28 -4.292 16.948 -4.861 1.00 41.30 C ATOM 274 C GLY A 28 -4.028 16.612 -3.406 1.00 33.30 C ATOM 275 O GLY A 28 -3.042 17.066 -2.826 1.00 24.30 O ATOM 0 H GLY A 28 -4.742 14.954 -5.323 1.00 73.10 H new ATOM 0 HA2 GLY A 28 -3.342 17.109 -5.371 1.00 41.30 H new ATOM 0 HA3 GLY A 28 -4.848 17.884 -4.919 1.00 41.30 H new ATOM 279 N ASN A 29 -4.912 15.813 -2.815 1.00 21.50 N ATOM 280 CA ASN A 29 -4.769 15.417 -1.419 1.00 61.30 C ATOM 281 C ASN A 29 -3.458 14.670 -1.196 1.00 20.20 C ATOM 282 O ASN A 29 -2.881 14.115 -2.132 1.00 30.20 O ATOM 283 CB ASN A 29 -5.948 14.540 -0.993 1.00 3.20 C ATOM 284 CG ASN A 29 -7.200 15.348 -0.717 1.00 1.20 C ATOM 285 OD1 ASN A 29 -7.140 16.565 -0.540 1.00 3.00 O ATOM 286 ND2 ASN A 29 -8.343 14.674 -0.676 1.00 1.50 N ATOM 0 H ASN A 29 -5.734 15.428 -3.281 1.00 21.50 H new ATOM 0 HA ASN A 29 -4.759 16.321 -0.810 1.00 61.30 H new ATOM 0 HB2 ASN A 29 -6.155 13.810 -1.775 1.00 3.20 H new ATOM 0 HB3 ASN A 29 -5.676 13.980 -0.098 1.00 3.20 H new ATOM 0 HD21 ASN A 29 -9.218 15.165 -0.492 1.00 1.50 H new ATOM 0 HD22 ASN A 29 -8.346 13.665 -0.829 1.00 1.50 H new ATOM 293 N TYR A 30 -2.993 14.659 0.049 1.00 50.30 N ATOM 294 CA TYR A 30 -1.749 13.980 0.395 1.00 45.50 C ATOM 295 C TYR A 30 -1.843 13.345 1.778 1.00 12.30 C ATOM 296 O TYR A 30 -1.480 12.183 1.963 1.00 14.30 O ATOM 297 CB TYR A 30 -0.578 14.964 0.350 1.00 63.30 C ATOM 298 CG TYR A 30 -0.387 15.618 -1.000 1.00 54.20 C ATOM 299 CD1 TYR A 30 -0.236 14.853 -2.149 1.00 71.50 C ATOM 300 CD2 TYR A 30 -0.357 17.002 -1.124 1.00 41.30 C ATOM 301 CE1 TYR A 30 -0.062 15.448 -3.384 1.00 65.20 C ATOM 302 CE2 TYR A 30 -0.183 17.604 -2.355 1.00 3.30 C ATOM 303 CZ TYR A 30 -0.035 16.823 -3.482 1.00 72.10 C ATOM 304 OH TYR A 30 0.138 17.419 -4.710 1.00 2.31 O ATOM 0 H TYR A 30 -3.459 15.112 0.835 1.00 50.30 H new ATOM 0 HA TYR A 30 -1.579 13.190 -0.336 1.00 45.50 H new ATOM 0 HB2 TYR A 30 -0.736 15.739 1.100 1.00 63.30 H new ATOM 0 HB3 TYR A 30 0.337 14.439 0.623 1.00 63.30 H new ATOM 0 HD1 TYR A 30 -0.255 13.776 -2.076 1.00 71.50 H new ATOM 0 HD2 TYR A 30 -0.472 17.617 -0.243 1.00 41.30 H new ATOM 0 HE1 TYR A 30 0.052 14.839 -4.268 1.00 65.20 H new ATOM 0 HE2 TYR A 30 -0.163 18.681 -2.435 1.00 3.30 H new ATOM 0 HH TYR A 30 0.132 18.393 -4.604 1.00 2.31 H new ATOM 314 N GLU A 31 -2.330 14.114 2.745 1.00 3.32 N ATOM 315 CA GLU A 31 -2.471 13.625 4.113 1.00 45.40 C ATOM 316 C GLU A 31 -3.396 12.414 4.166 1.00 52.10 C ATOM 317 O GLU A 31 -3.042 11.373 4.719 1.00 4.22 O ATOM 318 CB GLU A 31 -3.010 14.734 5.019 1.00 20.50 C ATOM 319 CG GLU A 31 -2.477 14.668 6.442 1.00 0.32 C ATOM 320 CD GLU A 31 -3.381 13.875 7.366 1.00 1.54 C ATOM 321 OE1 GLU A 31 -3.886 12.816 6.937 1.00 62.30 O ATOM 322 OE2 GLU A 31 -3.582 14.313 8.518 1.00 43.10 O ATOM 0 H GLU A 31 -2.634 15.078 2.608 1.00 3.32 H new ATOM 0 HA GLU A 31 -1.486 13.322 4.468 1.00 45.40 H new ATOM 0 HB2 GLU A 31 -2.753 15.702 4.588 1.00 20.50 H new ATOM 0 HB3 GLU A 31 -4.098 14.675 5.044 1.00 20.50 H new ATOM 0 HG2 GLU A 31 -1.485 14.216 6.434 1.00 0.32 H new ATOM 0 HG3 GLU A 31 -2.363 15.680 6.831 1.00 0.32 H new ATOM 329 N GLU A 32 -4.584 12.558 3.587 1.00 34.30 N ATOM 330 CA GLU A 32 -5.561 11.475 3.568 1.00 2.24 C ATOM 331 C GLU A 32 -5.085 10.329 2.681 1.00 32.10 C ATOM 332 O GLU A 32 -5.374 9.163 2.948 1.00 31.40 O ATOM 333 CB GLU A 32 -6.914 11.989 3.075 1.00 44.40 C ATOM 334 CG GLU A 32 -6.824 12.820 1.805 1.00 4.04 C ATOM 335 CD GLU A 32 -6.874 14.310 2.079 1.00 73.20 C ATOM 336 OE1 GLU A 32 -7.982 14.831 2.328 1.00 23.30 O ATOM 337 OE2 GLU A 32 -5.807 14.956 2.046 1.00 41.40 O ATOM 0 H GLU A 32 -4.893 13.413 3.125 1.00 34.30 H new ATOM 0 HA GLU A 32 -5.672 11.101 4.586 1.00 2.24 H new ATOM 0 HB2 GLU A 32 -7.573 11.139 2.897 1.00 44.40 H new ATOM 0 HB3 GLU A 32 -7.373 12.590 3.860 1.00 44.40 H new ATOM 0 HG2 GLU A 32 -5.897 12.581 1.284 1.00 4.04 H new ATOM 0 HG3 GLU A 32 -7.643 12.549 1.139 1.00 4.04 H new ATOM 344 N ALA A 33 -4.353 10.671 1.625 1.00 22.30 N ATOM 345 CA ALA A 33 -3.836 9.671 0.699 1.00 35.40 C ATOM 346 C ALA A 33 -2.730 8.844 1.346 1.00 40.00 C ATOM 347 O ALA A 33 -2.590 7.653 1.071 1.00 50.40 O ATOM 348 CB ALA A 33 -3.325 10.340 -0.568 1.00 3.14 C ATOM 0 H ALA A 33 -4.105 11.632 1.390 1.00 22.30 H new ATOM 0 HA ALA A 33 -4.652 8.997 0.437 1.00 35.40 H new ATOM 0 HB1 ALA A 33 -2.942 9.582 -1.251 1.00 3.14 H new ATOM 0 HB2 ALA A 33 -4.140 10.881 -1.048 1.00 3.14 H new ATOM 0 HB3 ALA A 33 -2.526 11.037 -0.315 1.00 3.14 H new ATOM 354 N LEU A 34 -1.947 9.485 2.208 1.00 60.40 N ATOM 355 CA LEU A 34 -0.853 8.808 2.896 1.00 21.30 C ATOM 356 C LEU A 34 -1.383 7.709 3.811 1.00 12.50 C ATOM 357 O LEU A 34 -0.998 6.546 3.689 1.00 20.30 O ATOM 358 CB LEU A 34 -0.035 9.813 3.709 1.00 44.30 C ATOM 359 CG LEU A 34 1.460 9.503 3.807 1.00 71.10 C ATOM 360 CD1 LEU A 34 2.159 10.524 4.690 1.00 73.20 C ATOM 361 CD2 LEU A 34 1.676 8.095 4.341 1.00 4.13 C ATOM 0 H LEU A 34 -2.049 10.471 2.447 1.00 60.40 H new ATOM 0 HA LEU A 34 -0.211 8.351 2.143 1.00 21.30 H new ATOM 0 HB2 LEU A 34 -0.157 10.801 3.265 1.00 44.30 H new ATOM 0 HB3 LEU A 34 -0.447 9.863 4.717 1.00 44.30 H new ATOM 0 HG LEU A 34 1.892 9.562 2.808 1.00 71.10 H new ATOM 0 HD11 LEU A 34 3.222 10.288 4.748 1.00 73.20 H new ATOM 0 HD12 LEU A 34 2.031 11.520 4.266 1.00 73.20 H new ATOM 0 HD13 LEU A 34 1.726 10.497 5.690 1.00 73.20 H new ATOM 0 HD21 LEU A 34 2.745 7.890 4.405 1.00 4.13 H new ATOM 0 HD22 LEU A 34 1.230 8.009 5.332 1.00 4.13 H new ATOM 0 HD23 LEU A 34 1.208 7.375 3.669 1.00 4.13 H new ATOM 373 N GLN A 35 -2.270 8.085 4.726 1.00 24.10 N ATOM 374 CA GLN A 35 -2.854 7.131 5.661 1.00 31.20 C ATOM 375 C GLN A 35 -3.629 6.046 4.920 1.00 24.40 C ATOM 376 O GLN A 35 -3.679 4.896 5.356 1.00 1.13 O ATOM 377 CB GLN A 35 -3.778 7.851 6.646 1.00 75.40 C ATOM 378 CG GLN A 35 -3.057 8.849 7.537 1.00 4.32 C ATOM 379 CD GLN A 35 -2.759 8.293 8.916 1.00 62.30 C ATOM 380 OE1 GLN A 35 -3.329 8.735 9.913 1.00 70.20 O ATOM 381 NE2 GLN A 35 -1.861 7.316 8.978 1.00 54.40 N ATOM 0 H GLN A 35 -2.600 9.043 4.840 1.00 24.10 H new ATOM 0 HA GLN A 35 -2.042 6.659 6.213 1.00 31.20 H new ATOM 0 HB2 GLN A 35 -4.556 8.371 6.088 1.00 75.40 H new ATOM 0 HB3 GLN A 35 -4.276 7.111 7.272 1.00 75.40 H new ATOM 0 HG2 GLN A 35 -2.123 9.147 7.060 1.00 4.32 H new ATOM 0 HG3 GLN A 35 -3.666 9.748 7.636 1.00 4.32 H new ATOM 0 HE21 GLN A 35 -1.413 6.980 8.125 1.00 54.40 H new ATOM 0 HE22 GLN A 35 -1.620 6.902 9.878 1.00 54.40 H new ATOM 390 N LEU A 36 -4.232 6.422 3.796 1.00 63.30 N ATOM 391 CA LEU A 36 -5.004 5.481 2.992 1.00 43.00 C ATOM 392 C LEU A 36 -4.085 4.504 2.267 1.00 64.10 C ATOM 393 O LEU A 36 -4.424 3.335 2.086 1.00 73.40 O ATOM 394 CB LEU A 36 -5.869 6.234 1.980 1.00 62.30 C ATOM 395 CG LEU A 36 -7.233 6.689 2.505 1.00 13.50 C ATOM 396 CD1 LEU A 36 -7.722 7.905 1.735 1.00 35.00 C ATOM 397 CD2 LEU A 36 -8.243 5.555 2.412 1.00 44.30 C ATOM 0 H LEU A 36 -4.201 7.370 3.422 1.00 63.30 H new ATOM 0 HA LEU A 36 -5.651 4.914 3.661 1.00 43.00 H new ATOM 0 HB2 LEU A 36 -5.319 7.110 1.635 1.00 62.30 H new ATOM 0 HB3 LEU A 36 -6.026 5.594 1.112 1.00 62.30 H new ATOM 0 HG LEU A 36 -7.124 6.968 3.553 1.00 13.50 H new ATOM 0 HD11 LEU A 36 -8.693 8.214 2.122 1.00 35.00 H new ATOM 0 HD12 LEU A 36 -7.008 8.721 1.852 1.00 35.00 H new ATOM 0 HD13 LEU A 36 -7.816 7.653 0.679 1.00 35.00 H new ATOM 0 HD21 LEU A 36 -9.207 5.895 2.789 1.00 44.30 H new ATOM 0 HD22 LEU A 36 -8.349 5.246 1.372 1.00 44.30 H new ATOM 0 HD23 LEU A 36 -7.898 4.710 3.008 1.00 44.30 H new ATOM 409 N TYR A 37 -2.921 4.991 1.853 1.00 50.00 N ATOM 410 CA TYR A 37 -1.952 4.160 1.146 1.00 72.10 C ATOM 411 C TYR A 37 -1.512 2.983 2.011 1.00 3.44 C ATOM 412 O TYR A 37 -1.406 1.854 1.532 1.00 21.40 O ATOM 413 CB TYR A 37 -0.734 4.993 0.741 1.00 64.10 C ATOM 414 CG TYR A 37 -0.856 5.616 -0.632 1.00 53.30 C ATOM 415 CD1 TYR A 37 -1.221 4.851 -1.733 1.00 4.33 C ATOM 416 CD2 TYR A 37 -0.605 6.968 -0.826 1.00 13.00 C ATOM 417 CE1 TYR A 37 -1.333 5.417 -2.989 1.00 25.10 C ATOM 418 CE2 TYR A 37 -0.715 7.541 -2.079 1.00 20.40 C ATOM 419 CZ TYR A 37 -1.079 6.762 -3.157 1.00 35.20 C ATOM 420 OH TYR A 37 -1.189 7.329 -4.405 1.00 75.00 O ATOM 0 H TYR A 37 -2.625 5.957 1.994 1.00 50.00 H new ATOM 0 HA TYR A 37 -2.432 3.770 0.248 1.00 72.10 H new ATOM 0 HB2 TYR A 37 -0.583 5.783 1.477 1.00 64.10 H new ATOM 0 HB3 TYR A 37 0.153 4.360 0.766 1.00 64.10 H new ATOM 0 HD1 TYR A 37 -1.420 3.797 -1.605 1.00 4.33 H new ATOM 0 HD2 TYR A 37 -0.319 7.582 0.016 1.00 13.00 H new ATOM 0 HE1 TYR A 37 -1.618 4.809 -3.835 1.00 25.10 H new ATOM 0 HE2 TYR A 37 -0.517 8.594 -2.213 1.00 20.40 H new ATOM 0 HH TYR A 37 -0.599 8.110 -4.463 1.00 75.00 H new ATOM 430 N GLN A 38 -1.259 3.255 3.287 1.00 74.10 N ATOM 431 CA GLN A 38 -0.831 2.219 4.220 1.00 2.44 C ATOM 432 C GLN A 38 -1.945 1.202 4.450 1.00 64.50 C ATOM 433 O GLN A 38 -1.718 -0.006 4.387 1.00 14.10 O ATOM 434 CB GLN A 38 -0.410 2.843 5.550 1.00 3.02 C ATOM 435 CG GLN A 38 0.962 3.495 5.509 1.00 61.30 C ATOM 436 CD GLN A 38 1.216 4.396 6.702 1.00 73.20 C ATOM 437 OE1 GLN A 38 1.008 4.000 7.848 1.00 44.20 O ATOM 438 NE2 GLN A 38 1.669 5.616 6.437 1.00 51.20 N ATOM 0 H GLN A 38 -1.343 4.184 3.699 1.00 74.10 H new ATOM 0 HA GLN A 38 0.024 1.702 3.784 1.00 2.44 H new ATOM 0 HB2 GLN A 38 -1.149 3.589 5.842 1.00 3.02 H new ATOM 0 HB3 GLN A 38 -0.414 2.072 6.321 1.00 3.02 H new ATOM 0 HG2 GLN A 38 1.728 2.720 5.474 1.00 61.30 H new ATOM 0 HG3 GLN A 38 1.056 4.077 4.592 1.00 61.30 H new ATOM 0 HE21 GLN A 38 1.827 5.903 5.471 1.00 51.20 H new ATOM 0 HE22 GLN A 38 1.859 6.266 7.200 1.00 51.20 H new ATOM 447 N HIS A 39 -3.147 1.701 4.719 1.00 61.20 N ATOM 448 CA HIS A 39 -4.297 0.836 4.959 1.00 75.50 C ATOM 449 C HIS A 39 -4.579 -0.042 3.745 1.00 73.50 C ATOM 450 O HIS A 39 -4.877 -1.230 3.881 1.00 51.40 O ATOM 451 CB HIS A 39 -5.530 1.675 5.296 1.00 53.10 C ATOM 452 CG HIS A 39 -5.572 2.136 6.719 1.00 62.40 C ATOM 453 ND1 HIS A 39 -6.607 1.833 7.579 1.00 74.20 N ATOM 454 CD2 HIS A 39 -4.696 2.881 7.435 1.00 22.40 C ATOM 455 CE1 HIS A 39 -6.367 2.373 8.761 1.00 32.20 C ATOM 456 NE2 HIS A 39 -5.215 3.014 8.699 1.00 21.20 N ATOM 0 H HIS A 39 -3.350 2.699 4.776 1.00 61.20 H new ATOM 0 HA HIS A 39 -4.065 0.189 5.805 1.00 75.50 H new ATOM 0 HB2 HIS A 39 -5.557 2.545 4.640 1.00 53.10 H new ATOM 0 HB3 HIS A 39 -6.425 1.090 5.086 1.00 53.10 H new ATOM 0 HD2 HIS A 39 -3.764 3.293 7.078 1.00 22.40 H new ATOM 0 HE1 HIS A 39 -7.005 2.302 9.630 1.00 32.20 H new ATOM 0 HE2 HIS A 39 -4.780 3.526 9.467 1.00 21.20 H new ATOM 465 N ALA A 40 -4.485 0.549 2.558 1.00 14.50 N ATOM 466 CA ALA A 40 -4.729 -0.180 1.320 1.00 1.33 C ATOM 467 C ALA A 40 -3.732 -1.320 1.147 1.00 70.40 C ATOM 468 O ALA A 40 -4.117 -2.467 0.922 1.00 61.20 O ATOM 469 CB ALA A 40 -4.664 0.766 0.131 1.00 54.20 C ATOM 0 H ALA A 40 -4.242 1.531 2.428 1.00 14.50 H new ATOM 0 HA ALA A 40 -5.728 -0.613 1.373 1.00 1.33 H new ATOM 0 HB1 ALA A 40 -4.848 0.209 -0.788 1.00 54.20 H new ATOM 0 HB2 ALA A 40 -5.421 1.543 0.242 1.00 54.20 H new ATOM 0 HB3 ALA A 40 -3.677 1.225 0.085 1.00 54.20 H new ATOM 475 N VAL A 41 -2.447 -0.996 1.255 1.00 61.30 N ATOM 476 CA VAL A 41 -1.393 -1.993 1.113 1.00 71.30 C ATOM 477 C VAL A 41 -1.497 -3.060 2.198 1.00 65.20 C ATOM 478 O VAL A 41 -1.173 -4.225 1.969 1.00 71.30 O ATOM 479 CB VAL A 41 0.005 -1.348 1.175 1.00 14.10 C ATOM 480 CG1 VAL A 41 1.084 -2.374 0.861 1.00 11.30 C ATOM 481 CG2 VAL A 41 0.092 -0.165 0.221 1.00 2.35 C ATOM 0 H VAL A 41 -2.111 -0.051 1.440 1.00 61.30 H new ATOM 0 HA VAL A 41 -1.527 -2.457 0.136 1.00 71.30 H new ATOM 0 HB VAL A 41 0.169 -0.982 2.188 1.00 14.10 H new ATOM 0 HG11 VAL A 41 2.064 -1.898 0.910 1.00 11.30 H new ATOM 0 HG12 VAL A 41 1.038 -3.185 1.588 1.00 11.30 H new ATOM 0 HG13 VAL A 41 0.925 -2.775 -0.140 1.00 11.30 H new ATOM 0 HG21 VAL A 41 1.087 0.277 0.279 1.00 2.35 H new ATOM 0 HG22 VAL A 41 -0.095 -0.505 -0.798 1.00 2.35 H new ATOM 0 HG23 VAL A 41 -0.653 0.581 0.497 1.00 2.35 H new ATOM 491 N GLN A 42 -1.953 -2.652 3.379 1.00 10.40 N ATOM 492 CA GLN A 42 -2.101 -3.573 4.499 1.00 33.20 C ATOM 493 C GLN A 42 -3.067 -4.701 4.154 1.00 13.40 C ATOM 494 O GLN A 42 -2.760 -5.877 4.347 1.00 40.10 O ATOM 495 CB GLN A 42 -2.592 -2.825 5.739 1.00 40.40 C ATOM 496 CG GLN A 42 -1.471 -2.232 6.577 1.00 54.50 C ATOM 497 CD GLN A 42 -1.915 -1.889 7.985 1.00 33.50 C ATOM 498 OE1 GLN A 42 -2.822 -1.081 8.183 1.00 43.40 O ATOM 499 NE2 GLN A 42 -1.275 -2.502 8.974 1.00 21.50 N ATOM 0 H GLN A 42 -2.226 -1.691 3.584 1.00 10.40 H new ATOM 0 HA GLN A 42 -1.125 -4.009 4.709 1.00 33.20 H new ATOM 0 HB2 GLN A 42 -3.264 -2.025 5.428 1.00 40.40 H new ATOM 0 HB3 GLN A 42 -3.174 -3.508 6.358 1.00 40.40 H new ATOM 0 HG2 GLN A 42 -0.643 -2.940 6.623 1.00 54.50 H new ATOM 0 HG3 GLN A 42 -1.094 -1.333 6.089 1.00 54.50 H new ATOM 0 HE21 GLN A 42 -0.529 -3.165 8.765 1.00 21.50 H new ATOM 0 HE22 GLN A 42 -1.530 -2.310 9.943 1.00 21.50 H new ATOM 508 N TYR A 43 -4.238 -4.333 3.643 1.00 41.50 N ATOM 509 CA TYR A 43 -5.251 -5.315 3.271 1.00 61.10 C ATOM 510 C TYR A 43 -4.721 -6.263 2.202 1.00 4.22 C ATOM 511 O TYR A 43 -5.052 -7.449 2.189 1.00 24.00 O ATOM 512 CB TYR A 43 -6.513 -4.613 2.767 1.00 34.20 C ATOM 513 CG TYR A 43 -7.470 -4.221 3.871 1.00 64.50 C ATOM 514 CD1 TYR A 43 -8.290 -5.166 4.473 1.00 40.10 C ATOM 515 CD2 TYR A 43 -7.552 -2.905 4.311 1.00 60.00 C ATOM 516 CE1 TYR A 43 -9.166 -4.812 5.481 1.00 71.20 C ATOM 517 CE2 TYR A 43 -8.425 -2.543 5.319 1.00 14.40 C ATOM 518 CZ TYR A 43 -9.230 -3.500 5.901 1.00 24.40 C ATOM 519 OH TYR A 43 -10.100 -3.143 6.905 1.00 11.40 O ATOM 0 H TYR A 43 -4.509 -3.364 3.477 1.00 41.50 H new ATOM 0 HA TYR A 43 -5.499 -5.898 4.158 1.00 61.10 H new ATOM 0 HB2 TYR A 43 -6.225 -3.720 2.213 1.00 34.20 H new ATOM 0 HB3 TYR A 43 -7.029 -5.270 2.067 1.00 34.20 H new ATOM 0 HD1 TYR A 43 -8.242 -6.195 4.148 1.00 40.10 H new ATOM 0 HD2 TYR A 43 -6.923 -2.153 3.858 1.00 60.00 H new ATOM 0 HE1 TYR A 43 -9.798 -5.559 5.938 1.00 71.20 H new ATOM 0 HE2 TYR A 43 -8.477 -1.516 5.649 1.00 14.40 H new ATOM 0 HH TYR A 43 -10.020 -2.182 7.081 1.00 11.40 H new ATOM 529 N PHE A 44 -3.894 -5.732 1.309 1.00 54.50 N ATOM 530 CA PHE A 44 -3.314 -6.529 0.236 1.00 34.10 C ATOM 531 C PHE A 44 -2.487 -7.679 0.801 1.00 33.40 C ATOM 532 O PHE A 44 -2.690 -8.839 0.442 1.00 62.50 O ATOM 533 CB PHE A 44 -2.444 -5.646 -0.658 1.00 53.20 C ATOM 534 CG PHE A 44 -3.133 -5.202 -1.916 1.00 12.30 C ATOM 535 CD1 PHE A 44 -3.400 -6.105 -2.933 1.00 62.30 C ATOM 536 CD2 PHE A 44 -3.515 -3.880 -2.082 1.00 22.00 C ATOM 537 CE1 PHE A 44 -4.034 -5.698 -4.092 1.00 5.33 C ATOM 538 CE2 PHE A 44 -4.150 -3.468 -3.239 1.00 40.20 C ATOM 539 CZ PHE A 44 -4.410 -4.378 -4.245 1.00 74.50 C ATOM 0 H PHE A 44 -3.610 -4.752 1.307 1.00 54.50 H new ATOM 0 HA PHE A 44 -4.125 -6.950 -0.358 1.00 34.10 H new ATOM 0 HB2 PHE A 44 -2.133 -4.767 -0.094 1.00 53.20 H new ATOM 0 HB3 PHE A 44 -1.538 -6.192 -0.923 1.00 53.20 H new ATOM 0 HD1 PHE A 44 -3.109 -7.139 -2.819 1.00 62.30 H new ATOM 0 HD2 PHE A 44 -3.314 -3.164 -1.299 1.00 22.00 H new ATOM 0 HE1 PHE A 44 -4.235 -6.412 -4.877 1.00 5.33 H new ATOM 0 HE2 PHE A 44 -4.443 -2.435 -3.356 1.00 40.20 H new ATOM 0 HZ PHE A 44 -4.906 -4.058 -5.149 1.00 74.50 H new ATOM 549 N LEU A 45 -1.554 -7.349 1.688 1.00 61.30 N ATOM 550 CA LEU A 45 -0.695 -8.355 2.305 1.00 63.40 C ATOM 551 C LEU A 45 -1.524 -9.414 3.024 1.00 35.50 C ATOM 552 O LEU A 45 -1.118 -10.566 3.129 1.00 53.40 O ATOM 553 CB LEU A 45 0.275 -7.694 3.287 1.00 34.00 C ATOM 554 CG LEU A 45 1.687 -8.282 3.300 1.00 33.00 C ATOM 555 CD1 LEU A 45 2.277 -8.282 1.899 1.00 2.12 C ATOM 556 CD2 LEU A 45 2.579 -7.506 4.257 1.00 41.20 C ATOM 0 H LEU A 45 -1.373 -6.394 1.996 1.00 61.30 H new ATOM 0 HA LEU A 45 -0.125 -8.843 1.515 1.00 63.40 H new ATOM 0 HB2 LEU A 45 0.342 -6.633 3.048 1.00 34.00 H new ATOM 0 HB3 LEU A 45 -0.142 -7.769 4.291 1.00 34.00 H new ATOM 0 HG LEU A 45 1.628 -9.314 3.647 1.00 33.00 H new ATOM 0 HD11 LEU A 45 3.282 -8.704 1.927 1.00 2.12 H new ATOM 0 HD12 LEU A 45 1.650 -8.883 1.240 1.00 2.12 H new ATOM 0 HD13 LEU A 45 2.323 -7.260 1.524 1.00 2.12 H new ATOM 0 HD21 LEU A 45 3.580 -7.938 4.253 1.00 41.20 H new ATOM 0 HD22 LEU A 45 2.633 -6.464 3.941 1.00 41.20 H new ATOM 0 HD23 LEU A 45 2.165 -7.558 5.264 1.00 41.20 H new ATOM 568 N HIS A 46 -2.690 -9.011 3.517 1.00 33.40 N ATOM 569 CA HIS A 46 -3.577 -9.926 4.226 1.00 24.30 C ATOM 570 C HIS A 46 -4.051 -11.047 3.307 1.00 72.30 C ATOM 571 O HIS A 46 -4.065 -12.214 3.692 1.00 60.40 O ATOM 572 CB HIS A 46 -4.782 -9.169 4.789 1.00 23.50 C ATOM 573 CG HIS A 46 -5.295 -9.732 6.078 1.00 33.00 C ATOM 574 ND1 HIS A 46 -5.005 -9.180 7.308 1.00 44.30 N ATOM 575 CD2 HIS A 46 -6.082 -10.806 6.325 1.00 54.30 C ATOM 576 CE1 HIS A 46 -5.593 -9.890 8.255 1.00 75.20 C ATOM 577 NE2 HIS A 46 -6.252 -10.881 7.685 1.00 12.20 N ATOM 0 H HIS A 46 -3.043 -8.057 3.439 1.00 33.40 H new ATOM 0 HA HIS A 46 -3.017 -10.368 5.050 1.00 24.30 H new ATOM 0 HB2 HIS A 46 -4.506 -8.126 4.942 1.00 23.50 H new ATOM 0 HB3 HIS A 46 -5.585 -9.181 4.052 1.00 23.50 H new ATOM 0 HD2 HIS A 46 -6.498 -11.478 5.589 1.00 54.30 H new ATOM 0 HE1 HIS A 46 -5.543 -9.693 9.316 1.00 75.20 H new ATOM 0 HE2 HIS A 46 -6.799 -11.588 8.176 1.00 12.20 H new ATOM 586 N VAL A 47 -4.440 -10.684 2.089 1.00 74.40 N ATOM 587 CA VAL A 47 -4.915 -11.660 1.115 1.00 53.40 C ATOM 588 C VAL A 47 -3.756 -12.407 0.477 1.00 63.10 C ATOM 589 O VAL A 47 -3.890 -13.574 0.102 1.00 22.20 O ATOM 590 CB VAL A 47 -5.748 -10.991 0.006 1.00 21.40 C ATOM 591 CG1 VAL A 47 -7.033 -10.413 0.577 1.00 31.30 C ATOM 592 CG2 VAL A 47 -4.936 -9.913 -0.696 1.00 25.50 C ATOM 0 H VAL A 47 -4.436 -9.721 1.753 1.00 74.40 H new ATOM 0 HA VAL A 47 -5.545 -12.364 1.658 1.00 53.40 H new ATOM 0 HB VAL A 47 -6.014 -11.750 -0.730 1.00 21.40 H new ATOM 0 HG11 VAL A 47 -7.608 -9.945 -0.222 1.00 31.30 H new ATOM 0 HG12 VAL A 47 -7.622 -11.211 1.028 1.00 31.30 H new ATOM 0 HG13 VAL A 47 -6.791 -9.668 1.335 1.00 31.30 H new ATOM 0 HG21 VAL A 47 -5.541 -9.452 -1.476 1.00 25.50 H new ATOM 0 HG22 VAL A 47 -4.636 -9.154 0.027 1.00 25.50 H new ATOM 0 HG23 VAL A 47 -4.048 -10.360 -1.142 1.00 25.50 H new ATOM 602 N VAL A 48 -2.610 -11.746 0.361 1.00 21.30 N ATOM 603 CA VAL A 48 -1.428 -12.352 -0.231 1.00 40.50 C ATOM 604 C VAL A 48 -0.960 -13.545 0.591 1.00 52.30 C ATOM 605 O VAL A 48 -0.484 -14.542 0.045 1.00 42.40 O ATOM 606 CB VAL A 48 -0.273 -11.336 -0.352 1.00 1.53 C ATOM 607 CG1 VAL A 48 0.904 -11.958 -1.098 1.00 61.00 C ATOM 608 CG2 VAL A 48 -0.742 -10.069 -1.037 1.00 21.30 C ATOM 0 H VAL A 48 -2.476 -10.784 0.672 1.00 21.30 H new ATOM 0 HA VAL A 48 -1.708 -12.687 -1.230 1.00 40.50 H new ATOM 0 HB VAL A 48 0.060 -11.069 0.651 1.00 1.53 H new ATOM 0 HG11 VAL A 48 1.711 -11.230 -1.176 1.00 61.00 H new ATOM 0 HG12 VAL A 48 1.257 -12.834 -0.555 1.00 61.00 H new ATOM 0 HG13 VAL A 48 0.586 -12.255 -2.097 1.00 61.00 H new ATOM 0 HG21 VAL A 48 0.088 -9.367 -1.112 1.00 21.30 H new ATOM 0 HG22 VAL A 48 -1.105 -10.309 -2.036 1.00 21.30 H new ATOM 0 HG23 VAL A 48 -1.547 -9.618 -0.457 1.00 21.30 H new ATOM 618 N LYS A 49 -1.097 -13.439 1.909 1.00 72.50 N ATOM 619 CA LYS A 49 -0.686 -14.517 2.809 1.00 45.00 C ATOM 620 C LYS A 49 -1.779 -15.572 2.926 1.00 63.50 C ATOM 621 O LYS A 49 -1.490 -16.757 3.124 1.00 41.10 O ATOM 622 CB LYS A 49 -0.355 -13.949 4.191 1.00 43.00 C ATOM 623 CG LYS A 49 0.765 -12.925 4.177 1.00 12.10 C ATOM 624 CD LYS A 49 1.054 -12.397 5.573 1.00 23.50 C ATOM 625 CE LYS A 49 1.368 -10.908 5.551 1.00 30.30 C ATOM 626 NZ LYS A 49 1.397 -10.328 6.922 1.00 14.40 N ATOM 0 H LYS A 49 -1.488 -12.622 2.378 1.00 72.50 H new ATOM 0 HA LYS A 49 0.204 -14.990 2.394 1.00 45.00 H new ATOM 0 HB2 LYS A 49 -1.250 -13.489 4.609 1.00 43.00 H new ATOM 0 HB3 LYS A 49 -0.078 -14.769 4.854 1.00 43.00 H new ATOM 0 HG2 LYS A 49 1.667 -13.376 3.764 1.00 12.10 H new ATOM 0 HG3 LYS A 49 0.494 -12.097 3.522 1.00 12.10 H new ATOM 0 HD2 LYS A 49 0.194 -12.579 6.218 1.00 23.50 H new ATOM 0 HD3 LYS A 49 1.895 -12.941 6.002 1.00 23.50 H new ATOM 0 HE2 LYS A 49 2.332 -10.747 5.068 1.00 30.30 H new ATOM 0 HE3 LYS A 49 0.620 -10.388 4.952 1.00 30.30 H new ATOM 0 HZ1 LYS A 49 1.614 -9.312 6.865 1.00 14.40 H new ATOM 0 HZ2 LYS A 49 0.470 -10.459 7.374 1.00 14.40 H new ATOM 0 HZ3 LYS A 49 2.128 -10.807 7.486 1.00 14.40 H new ATOM 640 N TYR A 50 -3.031 -15.141 2.807 1.00 64.10 N ATOM 641 CA TYR A 50 -4.161 -16.060 2.903 1.00 3.35 C ATOM 642 C TYR A 50 -4.611 -16.515 1.517 1.00 54.50 C ATOM 643 O TYR A 50 -4.332 -17.641 1.111 1.00 1.34 O ATOM 644 CB TYR A 50 -5.329 -15.381 3.632 1.00 71.10 C ATOM 645 CG TYR A 50 -5.114 -15.250 5.122 1.00 62.10 C ATOM 646 CD1 TYR A 50 -4.074 -14.482 5.629 1.00 5.04 C ATOM 647 CD2 TYR A 50 -5.948 -15.899 6.024 1.00 10.50 C ATOM 648 CE1 TYR A 50 -3.876 -14.355 6.990 1.00 3.10 C ATOM 649 CE2 TYR A 50 -5.755 -15.785 7.388 1.00 42.40 C ATOM 650 CZ TYR A 50 -4.716 -15.013 7.866 1.00 74.40 C ATOM 651 OH TYR A 50 -4.523 -14.890 9.222 1.00 11.40 O ATOM 0 H TYR A 50 -3.288 -14.167 2.645 1.00 64.10 H new ATOM 0 HA TYR A 50 -3.842 -16.936 3.468 1.00 3.35 H new ATOM 0 HB2 TYR A 50 -5.485 -14.390 3.207 1.00 71.10 H new ATOM 0 HB3 TYR A 50 -6.240 -15.952 3.453 1.00 71.10 H new ATOM 0 HD1 TYR A 50 -3.408 -13.975 4.947 1.00 5.04 H new ATOM 0 HD2 TYR A 50 -6.762 -16.504 5.653 1.00 10.50 H new ATOM 0 HE1 TYR A 50 -3.069 -13.744 7.367 1.00 3.10 H new ATOM 0 HE2 TYR A 50 -6.413 -16.297 8.075 1.00 42.40 H new ATOM 0 HH TYR A 50 -5.200 -15.415 9.698 1.00 11.40 H new ATOM 661 N GLU A 51 -5.304 -15.629 0.802 1.00 62.00 N ATOM 662 CA GLU A 51 -5.789 -15.943 -0.535 1.00 21.20 C ATOM 663 C GLU A 51 -4.770 -15.537 -1.595 1.00 33.20 C ATOM 664 O GLU A 51 -4.850 -14.453 -2.164 1.00 70.10 O ATOM 665 CB GLU A 51 -7.119 -15.241 -0.792 1.00 31.10 C ATOM 666 CG GLU A 51 -7.815 -15.696 -2.064 1.00 23.40 C ATOM 667 CD GLU A 51 -9.311 -15.844 -1.889 1.00 13.00 C ATOM 668 OE1 GLU A 51 -10.013 -14.815 -1.952 1.00 44.40 O ATOM 669 OE2 GLU A 51 -9.782 -16.980 -1.687 1.00 21.10 O ATOM 0 H GLU A 51 -5.540 -14.692 1.128 1.00 62.00 H new ATOM 0 HA GLU A 51 -5.937 -17.021 -0.597 1.00 21.20 H new ATOM 0 HB2 GLU A 51 -7.781 -15.415 0.056 1.00 31.10 H new ATOM 0 HB3 GLU A 51 -6.947 -14.166 -0.847 1.00 31.10 H new ATOM 0 HG2 GLU A 51 -7.615 -14.978 -2.859 1.00 23.40 H new ATOM 0 HG3 GLU A 51 -7.394 -16.650 -2.383 1.00 23.40 H new ATOM 676 N ALA A 52 -3.803 -16.416 -1.848 1.00 11.30 N ATOM 677 CA ALA A 52 -2.772 -16.147 -2.842 1.00 3.42 C ATOM 678 C ALA A 52 -2.629 -17.312 -3.815 1.00 75.20 C ATOM 679 O ALA A 52 -2.021 -18.340 -3.495 1.00 43.10 O ATOM 680 CB ALA A 52 -1.446 -15.870 -2.158 1.00 43.30 C ATOM 0 H ALA A 52 -3.714 -17.317 -1.379 1.00 11.30 H new ATOM 0 HA ALA A 52 -3.071 -15.266 -3.411 1.00 3.42 H new ATOM 0 HB1 ALA A 52 -0.683 -15.670 -2.911 1.00 43.30 H new ATOM 0 HB2 ALA A 52 -1.547 -15.003 -1.505 1.00 43.30 H new ATOM 0 HB3 ALA A 52 -1.154 -16.737 -1.566 1.00 43.30 H new ATOM 686 N GLN A 53 -3.193 -17.153 -5.005 1.00 14.40 N ATOM 687 CA GLN A 53 -3.132 -18.198 -6.028 1.00 45.30 C ATOM 688 C GLN A 53 -2.693 -17.612 -7.370 1.00 53.30 C ATOM 689 O GLN A 53 -3.198 -16.585 -7.808 1.00 24.30 O ATOM 690 CB GLN A 53 -4.496 -18.868 -6.180 1.00 15.30 C ATOM 691 CG GLN A 53 -4.965 -19.577 -4.919 1.00 14.50 C ATOM 692 CD GLN A 53 -5.644 -20.904 -5.213 1.00 21.10 C ATOM 693 OE1 GLN A 53 -5.094 -21.755 -5.910 1.00 31.30 O ATOM 694 NE2 GLN A 53 -6.850 -21.081 -4.685 1.00 31.20 N ATOM 0 H GLN A 53 -3.698 -16.313 -5.289 1.00 14.40 H new ATOM 0 HA GLN A 53 -2.400 -18.942 -5.713 1.00 45.30 H new ATOM 0 HB2 GLN A 53 -5.233 -18.115 -6.460 1.00 15.30 H new ATOM 0 HB3 GLN A 53 -4.450 -19.588 -6.997 1.00 15.30 H new ATOM 0 HG2 GLN A 53 -4.111 -19.747 -4.263 1.00 14.50 H new ATOM 0 HG3 GLN A 53 -5.657 -18.931 -4.379 1.00 14.50 H new ATOM 0 HE21 GLN A 53 -7.269 -20.348 -4.113 1.00 31.20 H new ATOM 0 HE22 GLN A 53 -7.357 -21.950 -4.852 1.00 31.20 H new ATOM 703 N GLY A 54 -1.740 -18.282 -8.011 1.00 70.10 N ATOM 704 CA GLY A 54 -1.243 -17.813 -9.292 1.00 32.20 C ATOM 705 C GLY A 54 0.006 -16.965 -9.159 1.00 52.20 C ATOM 706 O GLY A 54 0.120 -16.165 -8.233 1.00 44.00 O ATOM 0 H GLY A 54 -1.304 -19.138 -7.668 1.00 70.10 H new ATOM 0 HA2 GLY A 54 -1.029 -18.670 -9.930 1.00 32.20 H new ATOM 0 HA3 GLY A 54 -2.020 -17.232 -9.788 1.00 32.20 H new ATOM 710 N ASP A 55 0.941 -17.145 -10.087 1.00 52.40 N ATOM 711 CA ASP A 55 2.188 -16.381 -10.067 1.00 42.20 C ATOM 712 C ASP A 55 1.974 -14.969 -10.608 1.00 64.30 C ATOM 713 O ASP A 55 2.597 -14.024 -10.146 1.00 20.10 O ATOM 714 CB ASP A 55 3.258 -17.106 -10.893 1.00 33.10 C ATOM 715 CG ASP A 55 2.775 -17.435 -12.297 1.00 31.20 C ATOM 716 OD1 ASP A 55 2.915 -16.580 -13.187 1.00 42.10 O ATOM 717 OD2 ASP A 55 2.268 -18.556 -12.492 1.00 44.30 O ATOM 0 H ASP A 55 0.862 -17.808 -10.858 1.00 52.40 H new ATOM 0 HA ASP A 55 2.525 -16.301 -9.033 1.00 42.20 H new ATOM 0 HB2 ASP A 55 4.151 -16.484 -10.954 1.00 33.10 H new ATOM 0 HB3 ASP A 55 3.545 -18.026 -10.385 1.00 33.10 H new ATOM 722 N LYS A 56 1.086 -14.849 -11.593 1.00 55.20 N ATOM 723 CA LYS A 56 0.794 -13.555 -12.192 1.00 61.30 C ATOM 724 C LYS A 56 0.113 -12.634 -11.189 1.00 54.30 C ATOM 725 O LYS A 56 0.508 -11.477 -11.027 1.00 23.40 O ATOM 726 CB LYS A 56 -0.094 -13.736 -13.425 1.00 2.45 C ATOM 727 CG LYS A 56 0.626 -14.331 -14.609 1.00 52.40 C ATOM 728 CD LYS A 56 1.125 -13.261 -15.566 1.00 35.30 C ATOM 729 CE LYS A 56 1.262 -13.796 -16.982 1.00 34.30 C ATOM 730 NZ LYS A 56 2.572 -14.473 -17.192 1.00 24.40 N ATOM 0 H LYS A 56 0.561 -15.629 -11.989 1.00 55.20 H new ATOM 0 HA LYS A 56 1.736 -13.097 -12.493 1.00 61.30 H new ATOM 0 HB2 LYS A 56 -0.937 -14.376 -13.164 1.00 2.45 H new ATOM 0 HB3 LYS A 56 -0.506 -12.768 -13.710 1.00 2.45 H new ATOM 0 HG2 LYS A 56 1.469 -14.927 -14.259 1.00 52.40 H new ATOM 0 HG3 LYS A 56 -0.044 -15.008 -15.139 1.00 52.40 H new ATOM 0 HD2 LYS A 56 0.435 -12.417 -15.561 1.00 35.30 H new ATOM 0 HD3 LYS A 56 2.090 -12.887 -15.223 1.00 35.30 H new ATOM 0 HE2 LYS A 56 0.453 -14.498 -17.185 1.00 34.30 H new ATOM 0 HE3 LYS A 56 1.159 -12.976 -17.692 1.00 34.30 H new ATOM 0 HZ1 LYS A 56 2.628 -14.825 -18.169 1.00 24.40 H new ATOM 0 HZ2 LYS A 56 3.344 -13.797 -17.022 1.00 24.40 H new ATOM 0 HZ3 LYS A 56 2.660 -15.271 -16.531 1.00 24.40 H new ATOM 744 N ALA A 57 -0.911 -13.151 -10.517 1.00 15.10 N ATOM 745 CA ALA A 57 -1.646 -12.372 -9.528 1.00 4.05 C ATOM 746 C ALA A 57 -0.740 -11.943 -8.383 1.00 52.40 C ATOM 747 O ALA A 57 -0.797 -10.800 -7.929 1.00 54.00 O ATOM 748 CB ALA A 57 -2.828 -13.174 -9.000 1.00 42.40 C ATOM 0 H ALA A 57 -1.250 -14.105 -10.640 1.00 15.10 H new ATOM 0 HA ALA A 57 -2.020 -11.471 -10.014 1.00 4.05 H new ATOM 0 HB1 ALA A 57 -3.369 -12.582 -8.262 1.00 42.40 H new ATOM 0 HB2 ALA A 57 -3.495 -13.424 -9.825 1.00 42.40 H new ATOM 0 HB3 ALA A 57 -2.467 -14.091 -8.535 1.00 42.40 H new ATOM 754 N LYS A 58 0.095 -12.861 -7.921 1.00 64.20 N ATOM 755 CA LYS A 58 1.016 -12.578 -6.827 1.00 33.50 C ATOM 756 C LYS A 58 1.969 -11.445 -7.199 1.00 71.40 C ATOM 757 O LYS A 58 2.397 -10.678 -6.340 1.00 32.40 O ATOM 758 CB LYS A 58 1.811 -13.836 -6.462 1.00 55.20 C ATOM 759 CG LYS A 58 1.023 -14.829 -5.628 1.00 13.10 C ATOM 760 CD LYS A 58 1.819 -16.102 -5.382 1.00 42.40 C ATOM 761 CE LYS A 58 1.135 -17.003 -4.365 1.00 43.50 C ATOM 762 NZ LYS A 58 1.712 -18.367 -4.356 1.00 42.30 N ATOM 0 H LYS A 58 0.155 -13.811 -8.287 1.00 64.20 H new ATOM 0 HA LYS A 58 0.431 -12.266 -5.962 1.00 33.50 H new ATOM 0 HB2 LYS A 58 2.143 -14.325 -7.378 1.00 55.20 H new ATOM 0 HB3 LYS A 58 2.707 -13.544 -5.914 1.00 55.20 H new ATOM 0 HG2 LYS A 58 0.757 -14.374 -4.674 1.00 13.10 H new ATOM 0 HG3 LYS A 58 0.090 -15.074 -6.136 1.00 13.10 H new ATOM 0 HD2 LYS A 58 1.943 -16.641 -6.321 1.00 42.40 H new ATOM 0 HD3 LYS A 58 2.817 -15.845 -5.028 1.00 42.40 H new ATOM 0 HE2 LYS A 58 1.227 -16.564 -3.372 1.00 43.50 H new ATOM 0 HE3 LYS A 58 0.070 -17.061 -4.590 1.00 43.50 H new ATOM 0 HZ1 LYS A 58 1.218 -18.948 -3.649 1.00 42.30 H new ATOM 0 HZ2 LYS A 58 1.602 -18.797 -5.297 1.00 42.30 H new ATOM 0 HZ3 LYS A 58 2.722 -18.315 -4.116 1.00 42.30 H new ATOM 776 N GLN A 59 2.306 -11.364 -8.481 1.00 10.20 N ATOM 777 CA GLN A 59 3.211 -10.328 -8.966 1.00 63.30 C ATOM 778 C GLN A 59 2.541 -8.958 -8.925 1.00 22.50 C ATOM 779 O GLN A 59 3.189 -7.949 -8.647 1.00 32.10 O ATOM 780 CB GLN A 59 3.664 -10.645 -10.392 1.00 23.10 C ATOM 781 CG GLN A 59 4.809 -9.773 -10.870 1.00 74.40 C ATOM 782 CD GLN A 59 4.349 -8.671 -11.801 1.00 30.30 C ATOM 783 OE1 GLN A 59 3.181 -8.284 -11.800 1.00 44.40 O ATOM 784 NE2 GLN A 59 5.276 -8.156 -12.614 1.00 33.40 N ATOM 0 H GLN A 59 1.967 -12.001 -9.202 1.00 10.20 H new ATOM 0 HA GLN A 59 4.083 -10.306 -8.312 1.00 63.30 H new ATOM 0 HB2 GLN A 59 3.967 -11.691 -10.445 1.00 23.10 H new ATOM 0 HB3 GLN A 59 2.818 -10.524 -11.069 1.00 23.10 H new ATOM 0 HG2 GLN A 59 5.309 -9.331 -10.008 1.00 74.40 H new ATOM 0 HG3 GLN A 59 5.545 -10.393 -11.382 1.00 74.40 H new ATOM 0 HE21 GLN A 59 6.233 -8.506 -12.582 1.00 33.40 H new ATOM 0 HE22 GLN A 59 5.026 -7.413 -13.266 1.00 33.40 H new ATOM 793 N SER A 60 1.242 -8.932 -9.202 1.00 21.20 N ATOM 794 CA SER A 60 0.486 -7.685 -9.197 1.00 12.40 C ATOM 795 C SER A 60 0.360 -7.131 -7.781 1.00 75.20 C ATOM 796 O SER A 60 0.725 -5.985 -7.518 1.00 2.44 O ATOM 797 CB SER A 60 -0.905 -7.906 -9.795 1.00 41.30 C ATOM 798 OG SER A 60 -0.842 -8.013 -11.207 1.00 72.50 O ATOM 0 H SER A 60 0.691 -9.759 -9.433 1.00 21.20 H new ATOM 0 HA SER A 60 1.026 -6.959 -9.806 1.00 12.40 H new ATOM 0 HB2 SER A 60 -1.344 -8.812 -9.378 1.00 41.30 H new ATOM 0 HB3 SER A 60 -1.559 -7.079 -9.519 1.00 41.30 H new ATOM 0 HG SER A 60 -1.743 -8.156 -11.565 1.00 72.50 H new ATOM 804 N ILE A 61 -0.158 -7.953 -6.873 1.00 72.20 N ATOM 805 CA ILE A 61 -0.332 -7.545 -5.483 1.00 43.30 C ATOM 806 C ILE A 61 0.995 -7.117 -4.864 1.00 3.33 C ATOM 807 O ILE A 61 1.062 -6.120 -4.147 1.00 20.50 O ATOM 808 CB ILE A 61 -0.940 -8.680 -4.636 1.00 42.30 C ATOM 809 CG1 ILE A 61 -0.087 -9.947 -4.751 1.00 51.40 C ATOM 810 CG2 ILE A 61 -2.372 -8.953 -5.069 1.00 40.30 C ATOM 811 CD1 ILE A 61 -0.661 -11.134 -4.006 1.00 62.40 C ATOM 0 H ILE A 61 -0.464 -8.905 -7.075 1.00 72.20 H new ATOM 0 HA ILE A 61 -1.017 -6.697 -5.486 1.00 43.30 H new ATOM 0 HB ILE A 61 -0.951 -8.369 -3.591 1.00 42.30 H new ATOM 0 HG12 ILE A 61 0.022 -10.207 -5.804 1.00 51.40 H new ATOM 0 HG13 ILE A 61 0.912 -9.738 -4.370 1.00 51.40 H new ATOM 0 HG21 ILE A 61 -2.789 -9.757 -4.462 1.00 40.30 H new ATOM 0 HG22 ILE A 61 -2.970 -8.051 -4.937 1.00 40.30 H new ATOM 0 HG23 ILE A 61 -2.385 -9.247 -6.119 1.00 40.30 H new ATOM 0 HD11 ILE A 61 -0.004 -11.995 -4.132 1.00 62.40 H new ATOM 0 HD12 ILE A 61 -0.744 -10.893 -2.946 1.00 62.40 H new ATOM 0 HD13 ILE A 61 -1.648 -11.370 -4.403 1.00 62.40 H new ATOM 823 N ARG A 62 2.047 -7.876 -5.149 1.00 23.30 N ATOM 824 CA ARG A 62 3.371 -7.573 -4.619 1.00 74.40 C ATOM 825 C ARG A 62 3.951 -6.329 -5.285 1.00 22.30 C ATOM 826 O ARG A 62 4.421 -5.413 -4.609 1.00 40.40 O ATOM 827 CB ARG A 62 4.312 -8.763 -4.827 1.00 71.30 C ATOM 828 CG ARG A 62 4.138 -9.855 -3.791 1.00 51.20 C ATOM 829 CD ARG A 62 5.479 -10.429 -3.349 1.00 25.20 C ATOM 830 NE ARG A 62 5.710 -11.758 -3.898 1.00 62.00 N ATOM 831 CZ ARG A 62 6.160 -11.989 -5.130 1.00 34.40 C ATOM 832 NH1 ARG A 62 6.425 -10.980 -5.947 1.00 44.30 N ATOM 833 NH2 ARG A 62 6.347 -13.240 -5.545 1.00 35.10 N ATOM 0 H ARG A 62 2.009 -8.704 -5.743 1.00 23.30 H new ATOM 0 HA ARG A 62 3.272 -7.380 -3.551 1.00 74.40 H new ATOM 0 HB2 ARG A 62 4.142 -9.182 -5.819 1.00 71.30 H new ATOM 0 HB3 ARG A 62 5.343 -8.410 -4.803 1.00 71.30 H new ATOM 0 HG2 ARG A 62 3.610 -9.455 -2.925 1.00 51.20 H new ATOM 0 HG3 ARG A 62 3.518 -10.652 -4.202 1.00 51.20 H new ATOM 0 HD2 ARG A 62 6.281 -9.762 -3.665 1.00 25.20 H new ATOM 0 HD3 ARG A 62 5.513 -10.475 -2.261 1.00 25.20 H new ATOM 0 HE ARG A 62 5.515 -12.562 -3.302 1.00 62.00 H new ATOM 0 HH11 ARG A 62 6.285 -10.020 -5.634 1.00 44.30 H new ATOM 0 HH12 ARG A 62 6.769 -11.164 -6.889 1.00 44.30 H new ATOM 0 HH21 ARG A 62 6.146 -14.020 -4.920 1.00 35.10 H new ATOM 0 HH22 ARG A 62 6.692 -13.418 -6.488 1.00 35.10 H new ATOM 847 N ALA A 63 3.912 -6.303 -6.613 1.00 22.50 N ATOM 848 CA ALA A 63 4.433 -5.171 -7.370 1.00 41.20 C ATOM 849 C ALA A 63 3.671 -3.893 -7.036 1.00 43.20 C ATOM 850 O ALA A 63 4.235 -2.799 -7.057 1.00 4.13 O ATOM 851 CB ALA A 63 4.359 -5.456 -8.862 1.00 32.50 C ATOM 0 H ALA A 63 3.525 -7.052 -7.187 1.00 22.50 H new ATOM 0 HA ALA A 63 5.476 -5.026 -7.090 1.00 41.20 H new ATOM 0 HB1 ALA A 63 4.751 -4.603 -9.415 1.00 32.50 H new ATOM 0 HB2 ALA A 63 4.951 -6.341 -9.093 1.00 32.50 H new ATOM 0 HB3 ALA A 63 3.322 -5.628 -9.148 1.00 32.50 H new ATOM 857 N LYS A 64 2.387 -4.039 -6.724 1.00 21.50 N ATOM 858 CA LYS A 64 1.549 -2.896 -6.384 1.00 13.20 C ATOM 859 C LYS A 64 1.820 -2.428 -4.958 1.00 62.00 C ATOM 860 O LYS A 64 1.886 -1.229 -4.690 1.00 22.10 O ATOM 861 CB LYS A 64 0.071 -3.257 -6.542 1.00 71.10 C ATOM 862 CG LYS A 64 -0.458 -3.054 -7.953 1.00 23.30 C ATOM 863 CD LYS A 64 -1.455 -4.136 -8.335 1.00 60.20 C ATOM 864 CE LYS A 64 -2.887 -3.661 -8.159 1.00 20.10 C ATOM 865 NZ LYS A 64 -3.859 -4.554 -8.850 1.00 13.10 N ATOM 0 H LYS A 64 1.905 -4.938 -6.700 1.00 21.50 H new ATOM 0 HA LYS A 64 1.793 -2.082 -7.067 1.00 13.20 H new ATOM 0 HB2 LYS A 64 -0.072 -4.299 -6.256 1.00 71.10 H new ATOM 0 HB3 LYS A 64 -0.518 -2.653 -5.852 1.00 71.10 H new ATOM 0 HG2 LYS A 64 -0.934 -2.076 -8.027 1.00 23.30 H new ATOM 0 HG3 LYS A 64 0.373 -3.058 -8.658 1.00 23.30 H new ATOM 0 HD2 LYS A 64 -1.293 -4.431 -9.372 1.00 60.20 H new ATOM 0 HD3 LYS A 64 -1.286 -5.021 -7.721 1.00 60.20 H new ATOM 0 HE2 LYS A 64 -3.127 -3.617 -7.097 1.00 20.10 H new ATOM 0 HE3 LYS A 64 -2.984 -2.648 -8.550 1.00 20.10 H new ATOM 0 HZ1 LYS A 64 -4.824 -4.195 -8.705 1.00 13.10 H new ATOM 0 HZ2 LYS A 64 -3.647 -4.576 -9.868 1.00 13.10 H new ATOM 0 HZ3 LYS A 64 -3.785 -5.515 -8.460 1.00 13.10 H new ATOM 879 N CYS A 65 1.977 -3.384 -4.046 1.00 44.30 N ATOM 880 CA CYS A 65 2.242 -3.068 -2.647 1.00 42.20 C ATOM 881 C CYS A 65 3.529 -2.261 -2.505 1.00 2.12 C ATOM 882 O CYS A 65 3.607 -1.339 -1.693 1.00 61.00 O ATOM 883 CB CYS A 65 2.339 -4.354 -1.824 1.00 41.30 C ATOM 884 SG CYS A 65 0.773 -4.879 -1.088 1.00 50.20 S ATOM 0 H CYS A 65 1.925 -4.382 -4.251 1.00 44.30 H new ATOM 0 HA CYS A 65 1.415 -2.465 -2.273 1.00 42.20 H new ATOM 0 HB2 CYS A 65 2.714 -5.154 -2.462 1.00 41.30 H new ATOM 0 HB3 CYS A 65 3.071 -4.210 -1.030 1.00 41.30 H new ATOM 0 HG CYS A 65 0.956 -5.975 -0.414 1.00 50.20 H new ATOM 890 N THR A 66 4.533 -2.615 -3.300 1.00 21.30 N ATOM 891 CA THR A 66 5.816 -1.922 -3.262 1.00 52.10 C ATOM 892 C THR A 66 5.683 -0.499 -3.794 1.00 34.00 C ATOM 893 O THR A 66 6.190 0.448 -3.194 1.00 41.20 O ATOM 894 CB THR A 66 6.858 -2.689 -4.080 1.00 75.10 C ATOM 895 OG1 THR A 66 6.468 -4.040 -4.252 1.00 35.30 O ATOM 896 CG2 THR A 66 8.234 -2.688 -3.448 1.00 14.20 C ATOM 0 H THR A 66 4.484 -3.376 -3.977 1.00 21.30 H new ATOM 0 HA THR A 66 6.143 -1.873 -2.223 1.00 52.10 H new ATOM 0 HB THR A 66 6.912 -2.169 -5.036 1.00 75.10 H new ATOM 0 HG1 THR A 66 5.744 -4.090 -4.910 1.00 35.30 H new ATOM 0 HG21 THR A 66 8.924 -3.249 -4.078 1.00 14.20 H new ATOM 0 HG22 THR A 66 8.587 -1.662 -3.346 1.00 14.20 H new ATOM 0 HG23 THR A 66 8.183 -3.153 -2.464 1.00 14.20 H new ATOM 904 N GLU A 67 4.996 -0.357 -4.924 1.00 41.10 N ATOM 905 CA GLU A 67 4.795 0.951 -5.536 1.00 2.01 C ATOM 906 C GLU A 67 4.038 1.882 -4.594 1.00 0.22 C ATOM 907 O GLU A 67 4.480 2.998 -4.320 1.00 3.15 O ATOM 908 CB GLU A 67 4.032 0.808 -6.854 1.00 32.40 C ATOM 909 CG GLU A 67 3.884 2.114 -7.616 1.00 42.20 C ATOM 910 CD GLU A 67 2.601 2.178 -8.422 1.00 0.41 C ATOM 911 OE1 GLU A 67 1.572 2.612 -7.864 1.00 73.20 O ATOM 912 OE2 GLU A 67 2.626 1.793 -9.610 1.00 1.13 O ATOM 0 H GLU A 67 4.570 -1.131 -5.433 1.00 41.10 H new ATOM 0 HA GLU A 67 5.774 1.385 -5.737 1.00 2.01 H new ATOM 0 HB2 GLU A 67 4.547 0.085 -7.486 1.00 32.40 H new ATOM 0 HB3 GLU A 67 3.041 0.403 -6.648 1.00 32.40 H new ATOM 0 HG2 GLU A 67 3.908 2.946 -6.912 1.00 42.20 H new ATOM 0 HG3 GLU A 67 4.735 2.238 -8.285 1.00 42.20 H new ATOM 919 N TYR A 68 2.894 1.416 -4.103 1.00 43.20 N ATOM 920 CA TYR A 68 2.075 2.207 -3.192 1.00 71.40 C ATOM 921 C TYR A 68 2.848 2.550 -1.924 1.00 54.00 C ATOM 922 O TYR A 68 2.636 3.602 -1.321 1.00 14.30 O ATOM 923 CB TYR A 68 0.795 1.450 -2.835 1.00 75.40 C ATOM 924 CG TYR A 68 -0.179 1.328 -3.986 1.00 5.54 C ATOM 925 CD1 TYR A 68 -0.506 2.431 -4.764 1.00 74.00 C ATOM 926 CD2 TYR A 68 -0.771 0.109 -4.295 1.00 53.20 C ATOM 927 CE1 TYR A 68 -1.396 2.324 -5.815 1.00 52.00 C ATOM 928 CE2 TYR A 68 -1.661 -0.006 -5.345 1.00 12.40 C ATOM 929 CZ TYR A 68 -1.970 1.104 -6.102 1.00 71.20 C ATOM 930 OH TYR A 68 -2.856 0.992 -7.149 1.00 2.44 O ATOM 0 H TYR A 68 2.513 0.495 -4.321 1.00 43.20 H new ATOM 0 HA TYR A 68 1.810 3.136 -3.696 1.00 71.40 H new ATOM 0 HB2 TYR A 68 1.059 0.452 -2.486 1.00 75.40 H new ATOM 0 HB3 TYR A 68 0.302 1.957 -2.006 1.00 75.40 H new ATOM 0 HD1 TYR A 68 -0.057 3.388 -4.544 1.00 74.00 H new ATOM 0 HD2 TYR A 68 -0.531 -0.763 -3.704 1.00 53.20 H new ATOM 0 HE1 TYR A 68 -1.641 3.192 -6.409 1.00 52.00 H new ATOM 0 HE2 TYR A 68 -2.112 -0.961 -5.572 1.00 12.40 H new ATOM 0 HH TYR A 68 -3.167 0.065 -7.216 1.00 2.44 H new ATOM 940 N LEU A 69 3.745 1.655 -1.524 1.00 22.30 N ATOM 941 CA LEU A 69 4.551 1.862 -0.326 1.00 3.11 C ATOM 942 C LEU A 69 5.436 3.096 -0.473 1.00 11.40 C ATOM 943 O LEU A 69 5.481 3.949 0.412 1.00 64.10 O ATOM 944 CB LEU A 69 5.413 0.630 -0.047 1.00 23.20 C ATOM 945 CG LEU A 69 4.729 -0.469 0.766 1.00 52.40 C ATOM 946 CD1 LEU A 69 5.443 -1.798 0.574 1.00 14.30 C ATOM 947 CD2 LEU A 69 4.688 -0.092 2.240 1.00 10.30 C ATOM 0 H LEU A 69 3.932 0.779 -2.012 1.00 22.30 H new ATOM 0 HA LEU A 69 3.875 2.021 0.514 1.00 3.11 H new ATOM 0 HB2 LEU A 69 5.736 0.209 -0.999 1.00 23.20 H new ATOM 0 HB3 LEU A 69 6.311 0.947 0.483 1.00 23.20 H new ATOM 0 HG LEU A 69 3.705 -0.576 0.409 1.00 52.40 H new ATOM 0 HD11 LEU A 69 4.942 -2.568 1.160 1.00 14.30 H new ATOM 0 HD12 LEU A 69 5.422 -2.073 -0.480 1.00 14.30 H new ATOM 0 HD13 LEU A 69 6.478 -1.706 0.904 1.00 14.30 H new ATOM 0 HD21 LEU A 69 4.198 -0.885 2.805 1.00 10.30 H new ATOM 0 HD22 LEU A 69 5.705 0.042 2.610 1.00 10.30 H new ATOM 0 HD23 LEU A 69 4.132 0.838 2.362 1.00 10.30 H new ATOM 959 N ASP A 70 6.140 3.181 -1.598 1.00 33.00 N ATOM 960 CA ASP A 70 7.025 4.311 -1.861 1.00 74.00 C ATOM 961 C ASP A 70 6.240 5.618 -1.906 1.00 71.40 C ATOM 962 O ASP A 70 6.681 6.636 -1.372 1.00 11.50 O ATOM 963 CB ASP A 70 7.770 4.104 -3.180 1.00 24.40 C ATOM 964 CG ASP A 70 8.593 2.832 -3.187 1.00 24.00 C ATOM 965 OD1 ASP A 70 9.512 2.715 -2.349 1.00 15.40 O ATOM 966 OD2 ASP A 70 8.319 1.951 -4.029 1.00 10.20 O ATOM 0 H ASP A 70 6.115 2.482 -2.341 1.00 33.00 H new ATOM 0 HA ASP A 70 7.749 4.371 -1.048 1.00 74.00 H new ATOM 0 HB2 ASP A 70 7.051 4.072 -3.999 1.00 24.40 H new ATOM 0 HB3 ASP A 70 8.424 4.957 -3.362 1.00 24.40 H new ATOM 971 N ARG A 71 5.075 5.582 -2.545 1.00 1.51 N ATOM 972 CA ARG A 71 4.230 6.764 -2.659 1.00 54.00 C ATOM 973 C ARG A 71 3.816 7.272 -1.281 1.00 14.10 C ATOM 974 O ARG A 71 3.676 8.476 -1.069 1.00 1.24 O ATOM 975 CB ARG A 71 2.987 6.448 -3.493 1.00 22.30 C ATOM 976 CG ARG A 71 2.539 7.601 -4.378 1.00 34.10 C ATOM 977 CD ARG A 71 1.939 7.102 -5.682 1.00 14.50 C ATOM 978 NE ARG A 71 1.316 8.180 -6.446 1.00 52.20 N ATOM 979 CZ ARG A 71 0.669 7.996 -7.595 1.00 72.40 C ATOM 980 NH1 ARG A 71 0.560 6.780 -8.116 1.00 11.10 N ATOM 981 NH2 ARG A 71 0.132 9.031 -8.226 1.00 34.10 N ATOM 0 H ARG A 71 4.695 4.747 -2.991 1.00 1.51 H new ATOM 0 HA ARG A 71 4.805 7.545 -3.157 1.00 54.00 H new ATOM 0 HB2 ARG A 71 3.190 5.579 -4.118 1.00 22.30 H new ATOM 0 HB3 ARG A 71 2.170 6.176 -2.824 1.00 22.30 H new ATOM 0 HG2 ARG A 71 1.804 8.205 -3.846 1.00 34.10 H new ATOM 0 HG3 ARG A 71 3.389 8.249 -4.592 1.00 34.10 H new ATOM 0 HD2 ARG A 71 2.718 6.634 -6.284 1.00 14.50 H new ATOM 0 HD3 ARG A 71 1.197 6.333 -5.469 1.00 14.50 H new ATOM 0 HE ARG A 71 1.380 9.129 -6.078 1.00 52.20 H new ATOM 0 HH11 ARG A 71 0.973 5.981 -7.636 1.00 11.10 H new ATOM 0 HH12 ARG A 71 0.063 6.645 -8.997 1.00 11.10 H new ATOM 0 HH21 ARG A 71 0.215 9.968 -7.831 1.00 34.10 H new ATOM 0 HH22 ARG A 71 -0.364 8.890 -9.106 1.00 34.10 H new ATOM 995 N ALA A 72 3.622 6.345 -0.348 1.00 10.40 N ATOM 996 CA ALA A 72 3.225 6.699 1.009 1.00 71.40 C ATOM 997 C ALA A 72 4.385 7.325 1.774 1.00 62.40 C ATOM 998 O ALA A 72 4.210 8.311 2.491 1.00 23.30 O ATOM 999 CB ALA A 72 2.706 5.472 1.743 1.00 21.30 C ATOM 0 H ALA A 72 3.733 5.344 -0.507 1.00 10.40 H new ATOM 0 HA ALA A 72 2.425 7.437 0.947 1.00 71.40 H new ATOM 0 HB1 ALA A 72 2.413 5.750 2.755 1.00 21.30 H new ATOM 0 HB2 ALA A 72 1.843 5.069 1.213 1.00 21.30 H new ATOM 0 HB3 ALA A 72 3.490 4.716 1.787 1.00 21.30 H new ATOM 1005 N GLU A 73 5.571 6.746 1.619 1.00 74.30 N ATOM 1006 CA GLU A 73 6.761 7.248 2.295 1.00 65.10 C ATOM 1007 C GLU A 73 7.203 8.582 1.701 1.00 74.30 C ATOM 1008 O GLU A 73 7.744 9.437 2.404 1.00 22.40 O ATOM 1009 CB GLU A 73 7.899 6.230 2.194 1.00 74.30 C ATOM 1010 CG GLU A 73 8.814 6.219 3.407 1.00 13.20 C ATOM 1011 CD GLU A 73 9.726 5.008 3.438 1.00 64.30 C ATOM 1012 OE1 GLU A 73 9.262 3.925 3.851 1.00 72.20 O ATOM 1013 OE2 GLU A 73 10.905 5.142 3.047 1.00 53.20 O ATOM 0 H GLU A 73 5.733 5.929 1.031 1.00 74.30 H new ATOM 0 HA GLU A 73 6.513 7.403 3.345 1.00 65.10 H new ATOM 0 HB2 GLU A 73 7.475 5.235 2.060 1.00 74.30 H new ATOM 0 HB3 GLU A 73 8.491 6.446 1.305 1.00 74.30 H new ATOM 0 HG2 GLU A 73 9.419 7.125 3.409 1.00 13.20 H new ATOM 0 HG3 GLU A 73 8.209 6.237 4.314 1.00 13.20 H new ATOM 1020 N LYS A 74 6.970 8.753 0.404 1.00 62.10 N ATOM 1021 CA LYS A 74 7.344 9.983 -0.284 1.00 32.20 C ATOM 1022 C LYS A 74 6.574 11.175 0.275 1.00 71.20 C ATOM 1023 O LYS A 74 7.155 12.220 0.567 1.00 62.20 O ATOM 1024 CB LYS A 74 7.084 9.851 -1.785 1.00 25.50 C ATOM 1025 CG LYS A 74 8.037 10.668 -2.641 1.00 5.14 C ATOM 1026 CD LYS A 74 8.268 10.016 -3.996 1.00 51.40 C ATOM 1027 CE LYS A 74 8.656 11.041 -5.049 1.00 25.00 C ATOM 1028 NZ LYS A 74 8.833 10.420 -6.390 1.00 43.30 N ATOM 0 H LYS A 74 6.524 8.055 -0.192 1.00 62.10 H new ATOM 0 HA LYS A 74 8.408 10.152 -0.120 1.00 32.20 H new ATOM 0 HB2 LYS A 74 7.163 8.801 -2.068 1.00 25.50 H new ATOM 0 HB3 LYS A 74 6.061 10.162 -1.997 1.00 25.50 H new ATOM 0 HG2 LYS A 74 7.632 11.670 -2.783 1.00 5.14 H new ATOM 0 HG3 LYS A 74 8.989 10.779 -2.122 1.00 5.14 H new ATOM 0 HD2 LYS A 74 9.054 9.266 -3.910 1.00 51.40 H new ATOM 0 HD3 LYS A 74 7.363 9.496 -4.309 1.00 51.40 H new ATOM 0 HE2 LYS A 74 7.888 11.813 -5.105 1.00 25.00 H new ATOM 0 HE3 LYS A 74 9.582 11.534 -4.752 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 9.097 11.152 -7.080 1.00 43.30 H new ATOM 0 HZ2 LYS A 74 9.583 9.701 -6.343 1.00 43.30 H new ATOM 0 HZ3 LYS A 74 7.942 9.972 -6.685 1.00 43.30 H new ATOM 1042 N LEU A 75 5.263 11.009 0.421 1.00 43.40 N ATOM 1043 CA LEU A 75 4.413 12.072 0.946 1.00 14.30 C ATOM 1044 C LEU A 75 4.801 12.422 2.379 1.00 52.50 C ATOM 1045 O LEU A 75 4.787 13.590 2.769 1.00 32.10 O ATOM 1046 CB LEU A 75 2.943 11.652 0.891 1.00 14.10 C ATOM 1047 CG LEU A 75 2.378 11.454 -0.516 1.00 71.30 C ATOM 1048 CD1 LEU A 75 0.950 10.936 -0.449 1.00 41.50 C ATOM 1049 CD2 LEU A 75 2.439 12.755 -1.301 1.00 60.40 C ATOM 0 H LEU A 75 4.767 10.150 0.184 1.00 43.40 H new ATOM 0 HA LEU A 75 4.555 12.956 0.325 1.00 14.30 H new ATOM 0 HB2 LEU A 75 2.826 10.722 1.447 1.00 14.10 H new ATOM 0 HB3 LEU A 75 2.346 12.407 1.403 1.00 14.10 H new ATOM 0 HG LEU A 75 2.988 10.712 -1.032 1.00 71.30 H new ATOM 0 HD11 LEU A 75 0.564 10.801 -1.459 1.00 41.50 H new ATOM 0 HD12 LEU A 75 0.934 9.981 0.076 1.00 41.50 H new ATOM 0 HD13 LEU A 75 0.327 11.654 0.084 1.00 41.50 H new ATOM 0 HD21 LEU A 75 2.033 12.596 -2.300 1.00 60.40 H new ATOM 0 HD22 LEU A 75 1.853 13.517 -0.788 1.00 60.40 H new ATOM 0 HD23 LEU A 75 3.475 13.085 -1.378 1.00 60.40 H new ATOM 1061 N LYS A 76 5.148 11.404 3.159 1.00 34.00 N ATOM 1062 CA LYS A 76 5.540 11.605 4.548 1.00 64.20 C ATOM 1063 C LYS A 76 6.761 12.514 4.643 1.00 71.40 C ATOM 1064 O LYS A 76 6.890 13.301 5.581 1.00 53.40 O ATOM 1065 CB LYS A 76 5.839 10.260 5.215 1.00 35.30 C ATOM 1066 CG LYS A 76 5.582 10.253 6.713 1.00 64.20 C ATOM 1067 CD LYS A 76 6.551 9.337 7.441 1.00 63.30 C ATOM 1068 CE LYS A 76 6.964 9.916 8.785 1.00 32.10 C ATOM 1069 NZ LYS A 76 7.426 8.859 9.727 1.00 10.40 N ATOM 0 H LYS A 76 5.166 10.431 2.852 1.00 34.00 H new ATOM 0 HA LYS A 76 4.711 12.085 5.067 1.00 64.20 H new ATOM 0 HB2 LYS A 76 5.229 9.488 4.747 1.00 35.30 H new ATOM 0 HB3 LYS A 76 6.881 9.997 5.032 1.00 35.30 H new ATOM 0 HG2 LYS A 76 5.675 11.266 7.104 1.00 64.20 H new ATOM 0 HG3 LYS A 76 4.559 9.929 6.906 1.00 64.20 H new ATOM 0 HD2 LYS A 76 6.088 8.362 7.591 1.00 63.30 H new ATOM 0 HD3 LYS A 76 7.436 9.179 6.825 1.00 63.30 H new ATOM 0 HE2 LYS A 76 7.762 10.644 8.637 1.00 32.10 H new ATOM 0 HE3 LYS A 76 6.122 10.451 9.224 1.00 32.10 H new ATOM 0 HZ1 LYS A 76 7.698 9.295 10.631 1.00 10.40 H new ATOM 0 HZ2 LYS A 76 6.657 8.178 9.889 1.00 10.40 H new ATOM 0 HZ3 LYS A 76 8.246 8.365 9.320 1.00 10.40 H new ATOM 1083 N GLU A 77 7.653 12.402 3.664 1.00 21.40 N ATOM 1084 CA GLU A 77 8.862 13.217 3.635 1.00 34.20 C ATOM 1085 C GLU A 77 8.538 14.647 3.217 1.00 24.10 C ATOM 1086 O GLU A 77 8.853 15.601 3.929 1.00 0.54 O ATOM 1087 CB GLU A 77 9.888 12.612 2.675 1.00 0.45 C ATOM 1088 CG GLU A 77 11.329 12.820 3.116 1.00 4.33 C ATOM 1089 CD GLU A 77 12.199 11.606 2.854 1.00 72.40 C ATOM 1090 OE1 GLU A 77 11.669 10.476 2.897 1.00 2.54 O ATOM 1091 OE2 GLU A 77 13.410 11.786 2.605 1.00 32.00 O ATOM 0 H GLU A 77 7.561 11.755 2.881 1.00 21.40 H new ATOM 0 HA GLU A 77 9.285 13.236 4.640 1.00 34.20 H new ATOM 0 HB2 GLU A 77 9.697 11.543 2.578 1.00 0.45 H new ATOM 0 HB3 GLU A 77 9.752 13.051 1.687 1.00 0.45 H new ATOM 0 HG2 GLU A 77 11.745 13.681 2.592 1.00 4.33 H new ATOM 0 HG3 GLU A 77 11.349 13.054 4.180 1.00 4.33 H new ATOM 1098 N TYR A 78 7.904 14.785 2.058 1.00 71.30 N ATOM 1099 CA TYR A 78 7.530 16.095 1.541 1.00 4.23 C ATOM 1100 C TYR A 78 6.586 16.806 2.510 1.00 32.20 C ATOM 1101 O TYR A 78 6.600 18.032 2.618 1.00 25.20 O ATOM 1102 CB TYR A 78 6.880 15.943 0.157 1.00 53.00 C ATOM 1103 CG TYR A 78 5.809 16.970 -0.149 1.00 31.40 C ATOM 1104 CD1 TYR A 78 4.518 16.818 0.340 1.00 64.10 C ATOM 1105 CD2 TYR A 78 6.091 18.086 -0.926 1.00 54.20 C ATOM 1106 CE1 TYR A 78 3.537 17.752 0.064 1.00 61.40 C ATOM 1107 CE2 TYR A 78 5.115 19.024 -1.206 1.00 64.30 C ATOM 1108 CZ TYR A 78 3.841 18.852 -0.709 1.00 52.10 C ATOM 1109 OH TYR A 78 2.867 19.784 -0.986 1.00 31.00 O ATOM 0 H TYR A 78 7.638 14.004 1.458 1.00 71.30 H new ATOM 0 HA TYR A 78 8.428 16.705 1.440 1.00 4.23 H new ATOM 0 HB2 TYR A 78 7.657 16.009 -0.605 1.00 53.00 H new ATOM 0 HB3 TYR A 78 6.443 14.947 0.082 1.00 53.00 H new ATOM 0 HD1 TYR A 78 4.277 15.957 0.945 1.00 64.10 H new ATOM 0 HD2 TYR A 78 7.088 18.223 -1.317 1.00 54.20 H new ATOM 0 HE1 TYR A 78 2.538 17.621 0.452 1.00 61.40 H new ATOM 0 HE2 TYR A 78 5.350 19.887 -1.811 1.00 64.30 H new ATOM 0 HH TYR A 78 3.245 20.497 -1.541 1.00 31.00 H new ATOM 1119 N LEU A 79 5.769 16.027 3.211 1.00 71.20 N ATOM 1120 CA LEU A 79 4.820 16.581 4.169 1.00 0.10 C ATOM 1121 C LEU A 79 5.548 17.251 5.330 1.00 51.00 C ATOM 1122 O LEU A 79 5.204 18.362 5.734 1.00 5.24 O ATOM 1123 CB LEU A 79 3.895 15.483 4.697 1.00 30.30 C ATOM 1124 CG LEU A 79 2.652 15.218 3.845 1.00 75.10 C ATOM 1125 CD1 LEU A 79 2.164 13.792 4.045 1.00 64.10 C ATOM 1126 CD2 LEU A 79 1.553 16.214 4.186 1.00 25.50 C ATOM 0 H LEU A 79 5.745 15.010 3.134 1.00 71.20 H new ATOM 0 HA LEU A 79 4.222 17.334 3.656 1.00 0.10 H new ATOM 0 HB2 LEU A 79 4.465 14.557 4.779 1.00 30.30 H new ATOM 0 HB3 LEU A 79 3.576 15.751 5.704 1.00 30.30 H new ATOM 0 HG LEU A 79 2.917 15.345 2.795 1.00 75.10 H new ATOM 0 HD11 LEU A 79 1.279 13.621 3.432 1.00 64.10 H new ATOM 0 HD12 LEU A 79 2.949 13.094 3.753 1.00 64.10 H new ATOM 0 HD13 LEU A 79 1.913 13.637 5.094 1.00 64.10 H new ATOM 0 HD21 LEU A 79 0.676 16.012 3.571 1.00 25.50 H new ATOM 0 HD22 LEU A 79 1.288 16.118 5.239 1.00 25.50 H new ATOM 0 HD23 LEU A 79 1.907 17.227 3.992 1.00 25.50 H new ATOM 1138 N LYS A 80 6.555 16.567 5.863 1.00 43.10 N ATOM 1139 CA LYS A 80 7.332 17.096 6.978 1.00 0.21 C ATOM 1140 C LYS A 80 8.403 18.065 6.485 1.00 15.40 C ATOM 1141 O LYS A 80 8.760 19.016 7.179 1.00 64.00 O ATOM 1142 CB LYS A 80 7.983 15.954 7.761 1.00 23.40 C ATOM 1143 CG LYS A 80 6.981 14.998 8.388 1.00 10.40 C ATOM 1144 CD LYS A 80 7.678 13.861 9.116 1.00 25.30 C ATOM 1145 CE LYS A 80 6.895 13.422 10.344 1.00 60.30 C ATOM 1146 NZ LYS A 80 7.748 12.681 11.312 1.00 1.33 N ATOM 0 H LYS A 80 6.852 15.646 5.541 1.00 43.10 H new ATOM 0 HA LYS A 80 6.653 17.638 7.636 1.00 0.21 H new ATOM 0 HB2 LYS A 80 8.638 15.394 7.094 1.00 23.40 H new ATOM 0 HB3 LYS A 80 8.612 16.375 8.546 1.00 23.40 H new ATOM 0 HG2 LYS A 80 6.344 15.542 9.086 1.00 10.40 H new ATOM 0 HG3 LYS A 80 6.331 14.591 7.614 1.00 10.40 H new ATOM 0 HD2 LYS A 80 7.800 13.015 8.439 1.00 25.30 H new ATOM 0 HD3 LYS A 80 8.678 14.177 9.414 1.00 25.30 H new ATOM 0 HE2 LYS A 80 6.467 14.297 10.833 1.00 60.30 H new ATOM 0 HE3 LYS A 80 6.062 12.790 10.036 1.00 60.30 H new ATOM 0 HZ1 LYS A 80 7.176 12.400 12.134 1.00 1.33 H new ATOM 0 HZ2 LYS A 80 8.136 11.832 10.854 1.00 1.33 H new ATOM 0 HZ3 LYS A 80 8.528 13.292 11.626 1.00 1.33 H new ATOM 1160 N ASN A 81 8.910 17.816 5.282 1.00 4.14 N ATOM 1161 CA ASN A 81 9.939 18.666 4.696 1.00 73.10 C ATOM 1162 C ASN A 81 9.395 20.062 4.414 1.00 35.40 C ATOM 1163 O ASN A 81 10.128 21.050 4.480 1.00 30.20 O ATOM 1164 CB ASN A 81 10.471 18.043 3.404 1.00 43.10 C ATOM 1165 CG ASN A 81 11.530 16.990 3.664 1.00 44.20 C ATOM 1166 OD1 ASN A 81 11.419 16.198 4.600 1.00 32.50 O ATOM 1167 ND2 ASN A 81 12.566 16.975 2.833 1.00 53.20 N ATOM 0 H ASN A 81 8.625 17.033 4.694 1.00 4.14 H new ATOM 0 HA ASN A 81 10.756 18.751 5.413 1.00 73.10 H new ATOM 0 HB2 ASN A 81 9.644 17.595 2.853 1.00 43.10 H new ATOM 0 HB3 ASN A 81 10.889 18.826 2.771 1.00 43.10 H new ATOM 0 HD21 ASN A 81 13.310 16.288 2.958 1.00 53.20 H new ATOM 0 HD22 ASN A 81 12.618 17.650 2.070 1.00 53.20 H new ATOM 1175 N ASP B 116 9.523 -10.961 -1.512 1.00 75.10 N ATOM 1176 CA ASP B 116 8.346 -10.768 -0.670 1.00 44.30 C ATOM 1177 C ASP B 116 8.726 -10.112 0.653 1.00 52.20 C ATOM 1178 O ASP B 116 7.936 -9.368 1.233 1.00 21.50 O ATOM 1179 CB ASP B 116 7.664 -12.114 -0.404 1.00 4.24 C ATOM 1180 CG ASP B 116 8.568 -13.089 0.325 1.00 33.40 C ATOM 1181 OD1 ASP B 116 8.551 -13.090 1.573 1.00 54.40 O ATOM 1182 OD2 ASP B 116 9.288 -13.844 -0.354 1.00 43.30 O ATOM 0 HA ASP B 116 7.654 -10.110 -1.196 1.00 44.30 H new ATOM 0 HB2 ASP B 116 6.762 -11.950 0.185 1.00 4.24 H new ATOM 0 HB3 ASP B 116 7.351 -12.553 -1.352 1.00 4.24 H new ATOM 1187 N GLU B 117 9.934 -10.382 1.121 1.00 24.40 N ATOM 1188 CA GLU B 117 10.418 -9.816 2.375 1.00 14.20 C ATOM 1189 C GLU B 117 10.443 -8.294 2.308 1.00 63.20 C ATOM 1190 O GLU B 117 10.191 -7.618 3.303 1.00 62.10 O ATOM 1191 CB GLU B 117 11.818 -10.346 2.694 1.00 43.50 C ATOM 1192 CG GLU B 117 11.881 -11.859 2.817 1.00 73.10 C ATOM 1193 CD GLU B 117 12.819 -12.313 3.916 1.00 21.30 C ATOM 1194 OE1 GLU B 117 14.052 -12.227 3.723 1.00 62.40 O ATOM 1195 OE2 GLU B 117 12.325 -12.765 4.972 1.00 44.30 O ATOM 0 H GLU B 117 10.602 -10.992 0.650 1.00 24.40 H new ATOM 0 HA GLU B 117 9.734 -10.118 3.168 1.00 14.20 H new ATOM 0 HB2 GLU B 117 12.506 -10.024 1.912 1.00 43.50 H new ATOM 0 HB3 GLU B 117 12.163 -9.899 3.626 1.00 43.50 H new ATOM 0 HG2 GLU B 117 10.881 -12.246 3.014 1.00 73.10 H new ATOM 0 HG3 GLU B 117 12.206 -12.284 1.868 1.00 73.10 H new ATOM 1202 N GLU B 118 10.745 -7.759 1.127 1.00 44.50 N ATOM 1203 CA GLU B 118 10.803 -6.319 0.931 1.00 11.40 C ATOM 1204 C GLU B 118 9.452 -5.681 1.220 1.00 31.10 C ATOM 1205 O GLU B 118 9.371 -4.658 1.901 1.00 75.40 O ATOM 1206 CB GLU B 118 11.239 -5.992 -0.500 1.00 21.50 C ATOM 1207 CG GLU B 118 12.745 -6.062 -0.705 1.00 60.10 C ATOM 1208 CD GLU B 118 13.444 -4.777 -0.297 1.00 31.50 C ATOM 1209 OE1 GLU B 118 13.018 -3.701 -0.752 1.00 11.30 O ATOM 1210 OE2 GLU B 118 14.421 -4.859 0.479 1.00 71.20 O ATOM 0 H GLU B 118 10.953 -8.306 0.292 1.00 44.50 H new ATOM 0 HA GLU B 118 11.536 -5.911 1.627 1.00 11.40 H new ATOM 0 HB2 GLU B 118 10.754 -6.685 -1.187 1.00 21.50 H new ATOM 0 HB3 GLU B 118 10.891 -4.992 -0.758 1.00 21.50 H new ATOM 0 HG2 GLU B 118 13.150 -6.892 -0.126 1.00 60.10 H new ATOM 0 HG3 GLU B 118 12.957 -6.271 -1.754 1.00 60.10 H new ATOM 1217 N ILE B 119 8.392 -6.288 0.698 1.00 5.53 N ATOM 1218 CA ILE B 119 7.042 -5.777 0.899 1.00 73.20 C ATOM 1219 C ILE B 119 6.584 -5.987 2.339 1.00 13.40 C ATOM 1220 O ILE B 119 5.848 -5.169 2.892 1.00 42.40 O ATOM 1221 CB ILE B 119 6.036 -6.453 -0.052 1.00 53.50 C ATOM 1222 CG1 ILE B 119 6.553 -6.407 -1.492 1.00 31.10 C ATOM 1223 CG2 ILE B 119 4.674 -5.782 0.049 1.00 72.40 C ATOM 1224 CD1 ILE B 119 5.614 -7.046 -2.493 1.00 32.40 C ATOM 0 H ILE B 119 8.442 -7.135 0.132 1.00 5.53 H new ATOM 0 HA ILE B 119 7.073 -4.709 0.682 1.00 73.20 H new ATOM 0 HB ILE B 119 5.926 -7.497 0.243 1.00 53.50 H new ATOM 0 HG12 ILE B 119 6.721 -5.368 -1.776 1.00 31.10 H new ATOM 0 HG13 ILE B 119 7.518 -6.911 -1.539 1.00 31.10 H new ATOM 0 HG21 ILE B 119 3.976 -6.272 -0.629 1.00 72.40 H new ATOM 0 HG22 ILE B 119 4.304 -5.862 1.071 1.00 72.40 H new ATOM 0 HG23 ILE B 119 4.766 -4.730 -0.222 1.00 72.40 H new ATOM 0 HD11 ILE B 119 6.045 -6.977 -3.492 1.00 32.40 H new ATOM 0 HD12 ILE B 119 5.465 -8.094 -2.234 1.00 32.40 H new ATOM 0 HD13 ILE B 119 4.655 -6.528 -2.475 1.00 32.40 H new ATOM 1236 N GLU B 120 7.022 -7.087 2.939 1.00 24.30 N ATOM 1237 CA GLU B 120 6.657 -7.404 4.315 1.00 42.10 C ATOM 1238 C GLU B 120 7.284 -6.408 5.286 1.00 64.50 C ATOM 1239 O GLU B 120 6.608 -5.868 6.158 1.00 22.40 O ATOM 1240 CB GLU B 120 7.095 -8.823 4.665 1.00 3.42 C ATOM 1241 CG GLU B 120 6.540 -9.321 5.989 1.00 3.12 C ATOM 1242 CD GLU B 120 6.645 -10.831 6.134 1.00 34.10 C ATOM 1243 OE1 GLU B 120 7.705 -11.310 6.585 1.00 12.40 O ATOM 1244 OE2 GLU B 120 5.661 -11.522 5.797 1.00 70.20 O ATOM 0 H GLU B 120 7.630 -7.775 2.495 1.00 24.30 H new ATOM 0 HA GLU B 120 5.573 -7.336 4.404 1.00 42.10 H new ATOM 0 HB2 GLU B 120 6.778 -9.499 3.870 1.00 3.42 H new ATOM 0 HB3 GLU B 120 8.184 -8.860 4.700 1.00 3.42 H new ATOM 0 HG2 GLU B 120 7.078 -8.842 6.808 1.00 3.12 H new ATOM 0 HG3 GLU B 120 5.495 -9.023 6.076 1.00 3.12 H new ATOM 1251 N ARG B 121 8.584 -6.179 5.131 1.00 71.20 N ATOM 1252 CA ARG B 121 9.305 -5.253 5.997 1.00 25.40 C ATOM 1253 C ARG B 121 8.885 -3.814 5.719 1.00 74.10 C ATOM 1254 O ARG B 121 8.883 -2.973 6.619 1.00 33.20 O ATOM 1255 CB ARG B 121 10.812 -5.400 5.796 1.00 30.10 C ATOM 1256 CG ARG B 121 11.617 -5.220 7.074 1.00 4.21 C ATOM 1257 CD ARG B 121 11.714 -3.750 7.464 1.00 51.50 C ATOM 1258 NE ARG B 121 12.821 -3.509 8.389 1.00 41.20 N ATOM 1259 CZ ARG B 121 12.821 -3.892 9.662 1.00 24.20 C ATOM 1260 NH1 ARG B 121 11.779 -4.540 10.166 1.00 74.50 N ATOM 1261 NH2 ARG B 121 13.866 -3.626 10.433 1.00 2.02 N ATOM 0 H ARG B 121 9.159 -6.622 4.414 1.00 71.20 H new ATOM 0 HA ARG B 121 9.058 -5.495 7.031 1.00 25.40 H new ATOM 0 HB2 ARG B 121 11.020 -6.386 5.381 1.00 30.10 H new ATOM 0 HB3 ARG B 121 11.145 -4.668 5.060 1.00 30.10 H new ATOM 0 HG2 ARG B 121 11.151 -5.783 7.882 1.00 4.21 H new ATOM 0 HG3 ARG B 121 12.618 -5.629 6.937 1.00 4.21 H new ATOM 0 HD2 ARG B 121 11.849 -3.144 6.568 1.00 51.50 H new ATOM 0 HD3 ARG B 121 10.779 -3.433 7.925 1.00 51.50 H new ATOM 0 HE ARG B 121 13.642 -3.018 8.036 1.00 41.20 H new ATOM 0 HH11 ARG B 121 10.973 -4.747 9.576 1.00 74.50 H new ATOM 0 HH12 ARG B 121 11.784 -4.832 11.143 1.00 74.50 H new ATOM 0 HH21 ARG B 121 14.669 -3.128 10.049 1.00 2.02 H new ATOM 0 HH22 ARG B 121 13.867 -3.919 11.410 1.00 2.02 H new ATOM 1275 N GLN B 122 8.531 -3.537 4.468 1.00 20.10 N ATOM 1276 CA GLN B 122 8.108 -2.199 4.073 1.00 72.30 C ATOM 1277 C GLN B 122 6.875 -1.762 4.858 1.00 54.10 C ATOM 1278 O GLN B 122 6.846 -0.675 5.433 1.00 12.50 O ATOM 1279 CB GLN B 122 7.812 -2.158 2.572 1.00 14.30 C ATOM 1280 CG GLN B 122 9.048 -1.937 1.714 1.00 23.10 C ATOM 1281 CD GLN B 122 9.387 -0.468 1.547 1.00 10.30 C ATOM 1282 OE1 GLN B 122 10.246 0.066 2.249 1.00 1.02 O ATOM 1283 NE2 GLN B 122 8.712 0.192 0.615 1.00 43.40 N ATOM 0 H GLN B 122 8.529 -4.221 3.711 1.00 20.10 H new ATOM 0 HA GLN B 122 8.921 -1.508 4.296 1.00 72.30 H new ATOM 0 HB2 GLN B 122 7.338 -3.095 2.278 1.00 14.30 H new ATOM 0 HB3 GLN B 122 7.095 -1.362 2.373 1.00 14.30 H new ATOM 0 HG2 GLN B 122 9.896 -2.453 2.165 1.00 23.10 H new ATOM 0 HG3 GLN B 122 8.889 -2.383 0.732 1.00 23.10 H new ATOM 0 HE21 GLN B 122 8.009 -0.291 0.056 1.00 43.40 H new ATOM 0 HE22 GLN B 122 8.896 1.183 0.457 1.00 43.40 H new ATOM 1292 N LEU B 123 5.858 -2.618 4.875 1.00 11.20 N ATOM 1293 CA LEU B 123 4.622 -2.321 5.590 1.00 2.30 C ATOM 1294 C LEU B 123 4.889 -2.118 7.077 1.00 25.40 C ATOM 1295 O LEU B 123 4.383 -1.174 7.686 1.00 63.10 O ATOM 1296 CB LEU B 123 3.609 -3.451 5.392 1.00 10.30 C ATOM 1297 CG LEU B 123 2.721 -3.315 4.154 1.00 24.20 C ATOM 1298 CD1 LEU B 123 3.379 -3.973 2.950 1.00 35.20 C ATOM 1299 CD2 LEU B 123 1.351 -3.923 4.414 1.00 34.50 C ATOM 0 H LEU B 123 5.865 -3.522 4.402 1.00 11.20 H new ATOM 0 HA LEU B 123 4.210 -1.397 5.184 1.00 2.30 H new ATOM 0 HB2 LEU B 123 4.149 -4.396 5.331 1.00 10.30 H new ATOM 0 HB3 LEU B 123 2.971 -3.505 6.274 1.00 10.30 H new ATOM 0 HG LEU B 123 2.592 -2.255 3.936 1.00 24.20 H new ATOM 0 HD11 LEU B 123 2.733 -3.866 2.079 1.00 35.20 H new ATOM 0 HD12 LEU B 123 4.338 -3.493 2.752 1.00 35.20 H new ATOM 0 HD13 LEU B 123 3.539 -5.031 3.156 1.00 35.20 H new ATOM 0 HD21 LEU B 123 0.731 -3.818 3.523 1.00 34.50 H new ATOM 0 HD22 LEU B 123 1.462 -4.980 4.656 1.00 34.50 H new ATOM 0 HD23 LEU B 123 0.877 -3.407 5.249 1.00 34.50 H new ATOM 1311 N LYS B 124 5.689 -3.007 7.658 1.00 21.20 N ATOM 1312 CA LYS B 124 6.023 -2.924 9.074 1.00 22.40 C ATOM 1313 C LYS B 124 6.850 -1.675 9.366 1.00 62.50 C ATOM 1314 O LYS B 124 6.764 -1.102 10.451 1.00 10.50 O ATOM 1315 CB LYS B 124 6.791 -4.173 9.512 1.00 14.30 C ATOM 1316 CG LYS B 124 6.449 -4.636 10.918 1.00 34.10 C ATOM 1317 CD LYS B 124 6.937 -3.648 11.965 1.00 30.30 C ATOM 1318 CE LYS B 124 5.815 -2.740 12.441 1.00 73.00 C ATOM 1319 NZ LYS B 124 4.928 -3.420 13.423 1.00 74.50 N ATOM 0 H LYS B 124 6.118 -3.793 7.169 1.00 21.20 H new ATOM 0 HA LYS B 124 5.093 -2.861 9.638 1.00 22.40 H new ATOM 0 HB2 LYS B 124 6.583 -4.982 8.812 1.00 14.30 H new ATOM 0 HB3 LYS B 124 7.860 -3.970 9.455 1.00 14.30 H new ATOM 0 HG2 LYS B 124 5.370 -4.760 11.009 1.00 34.10 H new ATOM 0 HG3 LYS B 124 6.899 -5.612 11.100 1.00 34.10 H new ATOM 0 HD2 LYS B 124 7.351 -4.191 12.814 1.00 30.30 H new ATOM 0 HD3 LYS B 124 7.743 -3.044 11.549 1.00 30.30 H new ATOM 0 HE2 LYS B 124 6.240 -1.845 12.895 1.00 73.00 H new ATOM 0 HE3 LYS B 124 5.225 -2.413 11.585 1.00 73.00 H new ATOM 0 HZ1 LYS B 124 4.176 -2.767 13.722 1.00 74.50 H new ATOM 0 HZ2 LYS B 124 4.501 -4.260 12.982 1.00 74.50 H new ATOM 0 HZ3 LYS B 124 5.485 -3.710 14.252 1.00 74.50 H new ATOM 1333 N ALA B 125 7.651 -1.261 8.390 1.00 5.04 N ATOM 1334 CA ALA B 125 8.494 -0.081 8.542 1.00 53.10 C ATOM 1335 C ALA B 125 7.650 1.178 8.703 1.00 53.50 C ATOM 1336 O ALA B 125 7.894 1.991 9.596 1.00 44.00 O ATOM 1337 CB ALA B 125 9.428 0.057 7.349 1.00 31.50 C ATOM 0 H ALA B 125 7.734 -1.725 7.485 1.00 5.04 H new ATOM 0 HA ALA B 125 9.092 -0.205 9.445 1.00 53.10 H new ATOM 0 HB1 ALA B 125 10.052 0.942 7.476 1.00 31.50 H new ATOM 0 HB2 ALA B 125 10.062 -0.827 7.279 1.00 31.50 H new ATOM 0 HB3 ALA B 125 8.840 0.155 6.436 1.00 31.50 H new ATOM 1343 N LEU B 126 6.657 1.335 7.835 1.00 51.40 N ATOM 1344 CA LEU B 126 5.776 2.496 7.882 1.00 23.20 C ATOM 1345 C LEU B 126 4.939 2.495 9.156 1.00 62.10 C ATOM 1346 O LEU B 126 4.627 3.550 9.709 1.00 3.32 O ATOM 1347 CB LEU B 126 4.860 2.518 6.657 1.00 51.30 C ATOM 1348 CG LEU B 126 5.477 3.129 5.397 1.00 24.50 C ATOM 1349 CD1 LEU B 126 4.829 2.547 4.150 1.00 73.30 C ATOM 1350 CD2 LEU B 126 5.336 4.644 5.417 1.00 23.20 C ATOM 0 H LEU B 126 6.442 0.673 7.090 1.00 51.40 H new ATOM 0 HA LEU B 126 6.398 3.391 7.879 1.00 23.20 H new ATOM 0 HB2 LEU B 126 4.553 1.496 6.434 1.00 51.30 H new ATOM 0 HB3 LEU B 126 3.957 3.075 6.908 1.00 51.30 H new ATOM 0 HG LEU B 126 6.539 2.883 5.378 1.00 24.50 H new ATOM 0 HD11 LEU B 126 5.280 2.993 3.264 1.00 73.30 H new ATOM 0 HD12 LEU B 126 4.981 1.468 4.131 1.00 73.30 H new ATOM 0 HD13 LEU B 126 3.761 2.763 4.161 1.00 73.30 H new ATOM 0 HD21 LEU B 126 5.780 5.063 4.514 1.00 23.20 H new ATOM 0 HD22 LEU B 126 4.280 4.911 5.459 1.00 23.20 H new ATOM 0 HD23 LEU B 126 5.847 5.045 6.292 1.00 23.20 H new