USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 26 TYR OH : rot 128:sc= 0.472 USER MOD Set 1.2: A 38 THR OG1 : rot -27:sc= 1.1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 3 SER OG : rot 37:sc= 0.806 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.021) USER MOD Single : A 22 GLN : amide:sc= -2.83! C(o=-2.8!,f=-7.9!) USER MOD Single : A 23 ASN : amide:sc=-0.00821 K(o=-0.0082,f=-0.71) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.8 K(o=-2.8,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= -0.817 (180deg=-2.31!) USER MOD Single : A 30 HIS : no HD1:sc=-0.00317 X(o=-0.0032,f=-0.42) USER MOD Single : A 33 SER OG : rot 46:sc= 0.043 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.718 K(o=-0.72,f=-3.1!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.0275 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.7) USER MOD Single : A 49 ASN : amide:sc= -1.51 K(o=-1.5,f=-8.8!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 0.559 (180deg=-0.234) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.066 -2.009 -72.498 1.00 0.00 N ATOM 2 CA GLY A 1 12.095 -1.691 -71.525 1.00 0.00 C ATOM 3 C GLY A 1 11.541 -0.979 -70.307 1.00 0.00 C ATOM 4 O GLY A 1 11.774 0.215 -70.118 1.00 0.00 O ATOM 0 H1 GLY A 1 11.495 -2.495 -73.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.355 -2.629 -72.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.610 -1.132 -72.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.590 -2.610 -71.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.854 -1.065 -71.994 1.00 0.00 H new ATOM 8 N SER A 2 10.803 -1.712 -69.479 1.00 0.00 N ATOM 9 CA SER A 2 10.209 -1.141 -68.276 1.00 0.00 C ATOM 10 C SER A 2 9.981 -2.218 -67.220 1.00 0.00 C ATOM 11 O SER A 2 9.834 -3.397 -67.541 1.00 0.00 O ATOM 12 CB SER A 2 8.886 -0.452 -68.612 1.00 0.00 C ATOM 13 OG SER A 2 9.097 0.691 -69.423 1.00 0.00 O ATOM 0 H SER A 2 10.602 -2.702 -69.619 1.00 0.00 H new ATOM 0 HA SER A 2 10.902 -0.402 -67.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.229 -1.152 -69.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.380 -0.160 -67.691 1.00 0.00 H new ATOM 0 HG SER A 2 8.236 1.112 -69.625 1.00 0.00 H new ATOM 19 N SER A 3 9.953 -1.803 -65.957 1.00 0.00 N ATOM 20 CA SER A 3 9.747 -2.732 -64.852 1.00 0.00 C ATOM 21 C SER A 3 9.337 -1.987 -63.585 1.00 0.00 C ATOM 22 O SER A 3 9.823 -0.890 -63.312 1.00 0.00 O ATOM 23 CB SER A 3 11.019 -3.540 -64.593 1.00 0.00 C ATOM 24 OG SER A 3 11.044 -4.719 -65.378 1.00 0.00 O ATOM 0 H SER A 3 10.070 -0.830 -65.674 1.00 0.00 H new ATOM 0 HA SER A 3 8.943 -3.414 -65.128 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.893 -2.930 -64.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.078 -3.802 -63.537 1.00 0.00 H new ATOM 0 HG SER A 3 10.650 -4.536 -66.256 1.00 0.00 H new ATOM 30 N GLY A 4 8.438 -2.591 -62.814 1.00 0.00 N ATOM 31 CA GLY A 4 7.978 -1.972 -61.586 1.00 0.00 C ATOM 32 C GLY A 4 7.236 -2.943 -60.689 1.00 0.00 C ATOM 33 O GLY A 4 6.650 -3.915 -61.166 1.00 0.00 O ATOM 0 H GLY A 4 8.020 -3.499 -63.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.833 -1.564 -61.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.324 -1.134 -61.828 1.00 0.00 H new ATOM 37 N SER A 5 7.260 -2.680 -59.386 1.00 0.00 N ATOM 38 CA SER A 5 6.589 -3.542 -58.420 1.00 0.00 C ATOM 39 C SER A 5 6.536 -2.880 -57.047 1.00 0.00 C ATOM 40 O SER A 5 7.464 -2.176 -56.648 1.00 0.00 O ATOM 41 CB SER A 5 7.308 -4.889 -58.321 1.00 0.00 C ATOM 42 OG SER A 5 8.503 -4.776 -57.569 1.00 0.00 O ATOM 0 H SER A 5 7.737 -1.877 -58.975 1.00 0.00 H new ATOM 0 HA SER A 5 5.568 -3.707 -58.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.650 -5.623 -57.855 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.538 -5.256 -59.321 1.00 0.00 H new ATOM 0 HG SER A 5 8.942 -5.651 -57.519 1.00 0.00 H new ATOM 48 N SER A 6 5.442 -3.111 -56.328 1.00 0.00 N ATOM 49 CA SER A 6 5.264 -2.534 -55.000 1.00 0.00 C ATOM 50 C SER A 6 4.439 -3.460 -54.112 1.00 0.00 C ATOM 51 O SER A 6 3.593 -4.211 -54.595 1.00 0.00 O ATOM 52 CB SER A 6 4.585 -1.167 -55.102 1.00 0.00 C ATOM 53 OG SER A 6 4.695 -0.451 -53.884 1.00 0.00 O ATOM 0 H SER A 6 4.666 -3.693 -56.642 1.00 0.00 H new ATOM 0 HA SER A 6 6.249 -2.410 -54.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.039 -0.591 -55.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.533 -1.298 -55.357 1.00 0.00 H new ATOM 0 HG SER A 6 4.255 0.420 -53.976 1.00 0.00 H new ATOM 59 N GLY A 7 4.692 -3.399 -52.808 1.00 0.00 N ATOM 60 CA GLY A 7 3.965 -4.236 -51.871 1.00 0.00 C ATOM 61 C GLY A 7 4.458 -4.076 -50.447 1.00 0.00 C ATOM 62 O GLY A 7 5.637 -4.290 -50.162 1.00 0.00 O ATOM 0 H GLY A 7 5.387 -2.785 -52.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.904 -3.988 -51.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.061 -5.280 -52.170 1.00 0.00 H new ATOM 66 N LEU A 8 3.555 -3.697 -49.550 1.00 0.00 N ATOM 67 CA LEU A 8 3.904 -3.506 -48.146 1.00 0.00 C ATOM 68 C LEU A 8 2.662 -3.212 -47.311 1.00 0.00 C ATOM 69 O LEU A 8 1.946 -2.243 -47.563 1.00 0.00 O ATOM 70 CB LEU A 8 4.912 -2.364 -48.002 1.00 0.00 C ATOM 71 CG LEU A 8 5.846 -2.442 -46.794 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.132 -1.976 -45.535 1.00 0.00 C ATOM 73 CD2 LEU A 8 6.372 -3.860 -46.617 1.00 0.00 C ATOM 0 H LEU A 8 2.575 -3.516 -49.769 1.00 0.00 H new ATOM 0 HA LEU A 8 4.355 -4.429 -47.780 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.521 -2.328 -48.905 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.362 -1.425 -47.951 1.00 0.00 H new ATOM 0 HG LEU A 8 6.694 -1.780 -46.972 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.813 -2.039 -44.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.806 -0.944 -45.663 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.265 -2.611 -45.352 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.035 -3.897 -45.753 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.536 -4.542 -46.462 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.922 -4.158 -47.509 1.00 0.00 H new ATOM 85 N LYS A 9 2.414 -4.054 -46.313 1.00 0.00 N ATOM 86 CA LYS A 9 1.260 -3.883 -45.437 1.00 0.00 C ATOM 87 C LYS A 9 1.283 -4.903 -44.303 1.00 0.00 C ATOM 88 O LYS A 9 1.470 -6.098 -44.534 1.00 0.00 O ATOM 89 CB LYS A 9 -0.037 -4.022 -46.236 1.00 0.00 C ATOM 90 CG LYS A 9 -1.210 -3.274 -45.626 1.00 0.00 C ATOM 91 CD LYS A 9 -1.300 -1.852 -46.154 1.00 0.00 C ATOM 92 CE LYS A 9 -0.212 -0.968 -45.565 1.00 0.00 C ATOM 93 NZ LYS A 9 -0.527 0.479 -45.722 1.00 0.00 N ATOM 0 H LYS A 9 2.996 -4.861 -46.091 1.00 0.00 H new ATOM 0 HA LYS A 9 1.308 -2.884 -45.005 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.129 -3.656 -47.249 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.293 -5.078 -46.317 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.136 -3.805 -45.848 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.106 -3.254 -44.541 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.215 -1.860 -47.241 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.278 -1.435 -45.914 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.089 -1.200 -44.507 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.738 -1.188 -46.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.239 1.048 -45.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.620 0.706 -46.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.420 0.695 -45.235 1.00 0.00 H new ATOM 107 N ARG A 10 1.091 -4.424 -43.079 1.00 0.00 N ATOM 108 CA ARG A 10 1.089 -5.295 -41.909 1.00 0.00 C ATOM 109 C ARG A 10 0.343 -4.644 -40.748 1.00 0.00 C ATOM 110 O ARG A 10 -0.132 -3.513 -40.858 1.00 0.00 O ATOM 111 CB ARG A 10 2.523 -5.622 -41.488 1.00 0.00 C ATOM 112 CG ARG A 10 3.271 -4.436 -40.902 1.00 0.00 C ATOM 113 CD ARG A 10 3.884 -3.570 -41.992 1.00 0.00 C ATOM 114 NE ARG A 10 5.228 -4.012 -42.351 1.00 0.00 N ATOM 115 CZ ARG A 10 5.486 -4.839 -43.358 1.00 0.00 C ATOM 116 NH1 ARG A 10 4.495 -5.311 -44.102 1.00 0.00 N ATOM 117 NH2 ARG A 10 6.736 -5.195 -43.623 1.00 0.00 N ATOM 0 H ARG A 10 0.935 -3.438 -42.871 1.00 0.00 H new ATOM 0 HA ARG A 10 0.576 -6.219 -42.176 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.502 -6.427 -40.753 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.071 -5.995 -42.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.589 -3.836 -40.300 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.056 -4.793 -40.235 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.246 -3.594 -42.876 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.921 -2.534 -41.654 1.00 0.00 H new ATOM 0 HE ARG A 10 6.012 -3.667 -41.798 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.533 -5.039 -43.901 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.695 -5.946 -44.875 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.501 -4.834 -43.053 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.932 -5.830 -44.397 1.00 0.00 H new ATOM 131 N ASP A 11 0.243 -5.366 -39.637 1.00 0.00 N ATOM 132 CA ASP A 11 -0.445 -4.859 -38.455 1.00 0.00 C ATOM 133 C ASP A 11 -0.149 -5.731 -37.239 1.00 0.00 C ATOM 134 O ASP A 11 0.542 -6.744 -37.342 1.00 0.00 O ATOM 135 CB ASP A 11 -1.953 -4.802 -38.702 1.00 0.00 C ATOM 136 CG ASP A 11 -2.493 -6.091 -39.290 1.00 0.00 C ATOM 137 OD1 ASP A 11 -2.422 -6.255 -40.526 1.00 0.00 O ATOM 138 OD2 ASP A 11 -2.986 -6.935 -38.514 1.00 0.00 O ATOM 0 H ASP A 11 0.630 -6.304 -39.530 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.079 -3.852 -38.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.464 -4.593 -37.762 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.177 -3.976 -39.378 1.00 0.00 H new ATOM 143 N PHE A 12 -0.676 -5.329 -36.087 1.00 0.00 N ATOM 144 CA PHE A 12 -0.467 -6.072 -34.850 1.00 0.00 C ATOM 145 C PHE A 12 -1.762 -6.170 -34.049 1.00 0.00 C ATOM 146 O PHE A 12 -2.782 -5.591 -34.424 1.00 0.00 O ATOM 147 CB PHE A 12 0.619 -5.402 -34.005 1.00 0.00 C ATOM 148 CG PHE A 12 0.236 -4.037 -33.510 1.00 0.00 C ATOM 149 CD1 PHE A 12 -0.005 -3.005 -34.402 1.00 0.00 C ATOM 150 CD2 PHE A 12 0.118 -3.786 -32.152 1.00 0.00 C ATOM 151 CE1 PHE A 12 -0.358 -1.747 -33.949 1.00 0.00 C ATOM 152 CE2 PHE A 12 -0.235 -2.531 -31.694 1.00 0.00 C ATOM 153 CZ PHE A 12 -0.472 -1.510 -32.594 1.00 0.00 C ATOM 0 H PHE A 12 -1.251 -4.493 -35.985 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.145 -7.080 -35.111 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.848 -6.039 -33.150 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.531 -5.323 -34.596 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.084 -3.185 -35.463 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.304 -4.580 -31.444 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.544 -0.951 -34.655 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.326 -2.348 -30.633 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.746 -0.528 -32.238 1.00 0.00 H new ATOM 163 N ILE A 13 -1.714 -6.909 -32.945 1.00 0.00 N ATOM 164 CA ILE A 13 -2.882 -7.083 -32.091 1.00 0.00 C ATOM 165 C ILE A 13 -2.499 -7.021 -30.617 1.00 0.00 C ATOM 166 O ILE A 13 -1.472 -7.565 -30.208 1.00 0.00 O ATOM 167 CB ILE A 13 -3.589 -8.422 -32.371 1.00 0.00 C ATOM 168 CG1 ILE A 13 -4.019 -8.501 -33.837 1.00 0.00 C ATOM 169 CG2 ILE A 13 -4.790 -8.589 -31.451 1.00 0.00 C ATOM 170 CD1 ILE A 13 -4.381 -9.899 -34.287 1.00 0.00 C ATOM 0 H ILE A 13 -0.879 -7.397 -32.621 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.566 -6.266 -32.320 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.889 -9.234 -32.174 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.876 -7.845 -33.992 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.212 -8.124 -34.465 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.280 -9.540 -31.661 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.458 -8.573 -30.413 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.494 -7.774 -31.620 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.676 -9.879 -35.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.519 -10.555 -34.165 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.209 -10.272 -33.685 1.00 0.00 H new ATOM 182 N ILE A 14 -3.331 -6.357 -29.822 1.00 0.00 N ATOM 183 CA ILE A 14 -3.081 -6.228 -28.392 1.00 0.00 C ATOM 184 C ILE A 14 -4.220 -6.832 -27.577 1.00 0.00 C ATOM 185 O ILE A 14 -5.373 -6.418 -27.700 1.00 0.00 O ATOM 186 CB ILE A 14 -2.899 -4.754 -27.984 1.00 0.00 C ATOM 187 CG1 ILE A 14 -1.786 -4.107 -28.810 1.00 0.00 C ATOM 188 CG2 ILE A 14 -2.592 -4.650 -26.497 1.00 0.00 C ATOM 189 CD1 ILE A 14 -0.399 -4.573 -28.425 1.00 0.00 C ATOM 0 H ILE A 14 -4.184 -5.900 -30.144 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.160 -6.772 -28.183 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.829 -4.220 -28.181 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.954 -4.325 -29.865 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.842 -3.025 -28.695 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.466 -3.602 -26.224 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.415 -5.078 -25.925 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.675 -5.195 -26.276 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.340 -4.073 -29.052 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.211 -4.331 -27.379 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.325 -5.651 -28.567 1.00 0.00 H new ATOM 201 N LEU A 15 -3.889 -7.813 -26.745 1.00 0.00 N ATOM 202 CA LEU A 15 -4.883 -8.474 -25.907 1.00 0.00 C ATOM 203 C LEU A 15 -4.915 -7.860 -24.511 1.00 0.00 C ATOM 204 O LEU A 15 -4.010 -7.120 -24.127 1.00 0.00 O ATOM 205 CB LEU A 15 -4.584 -9.971 -25.812 1.00 0.00 C ATOM 206 CG LEU A 15 -5.060 -10.827 -26.987 1.00 0.00 C ATOM 207 CD1 LEU A 15 -6.571 -11.000 -26.943 1.00 0.00 C ATOM 208 CD2 LEU A 15 -4.631 -10.206 -28.308 1.00 0.00 C ATOM 0 H LEU A 15 -2.940 -8.168 -26.633 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.861 -8.333 -26.367 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.507 -10.100 -25.708 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.041 -10.355 -24.900 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.599 -11.811 -26.905 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.892 -11.612 -27.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.854 -11.490 -26.011 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.051 -10.023 -27.000 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.978 -10.829 -29.133 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.063 -9.209 -28.399 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.544 -10.134 -28.340 1.00 0.00 H new ATOM 220 N GLY A 16 -5.962 -8.176 -23.755 1.00 0.00 N ATOM 221 CA GLY A 16 -6.090 -7.649 -22.409 1.00 0.00 C ATOM 222 C GLY A 16 -6.987 -8.502 -21.535 1.00 0.00 C ATOM 223 O GLY A 16 -6.929 -9.730 -21.587 1.00 0.00 O ATOM 0 H GLY A 16 -6.723 -8.787 -24.050 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.102 -7.581 -21.953 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.490 -6.636 -22.455 1.00 0.00 H new ATOM 227 N ASN A 17 -7.819 -7.851 -20.729 1.00 0.00 N ATOM 228 CA ASN A 17 -8.731 -8.559 -19.838 1.00 0.00 C ATOM 229 C ASN A 17 -10.104 -7.894 -19.825 1.00 0.00 C ATOM 230 O ASN A 17 -10.212 -6.669 -19.806 1.00 0.00 O ATOM 231 CB ASN A 17 -8.160 -8.602 -18.419 1.00 0.00 C ATOM 232 CG ASN A 17 -7.428 -7.326 -18.051 1.00 0.00 C ATOM 233 OD1 ASN A 17 -7.825 -6.232 -18.452 1.00 0.00 O ATOM 234 ND2 ASN A 17 -6.352 -7.462 -17.284 1.00 0.00 N ATOM 0 H ASN A 17 -7.881 -6.834 -20.674 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.843 -9.578 -20.209 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.970 -8.770 -17.709 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.478 -9.447 -18.330 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.818 -6.639 -17.004 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.060 -8.389 -16.975 1.00 0.00 H new ATOM 241 N GLY A 18 -11.152 -8.713 -19.834 1.00 0.00 N ATOM 242 CA GLY A 18 -12.505 -8.187 -19.822 1.00 0.00 C ATOM 243 C GLY A 18 -13.081 -8.101 -18.423 1.00 0.00 C ATOM 244 O GLY A 18 -12.700 -7.247 -17.622 1.00 0.00 O ATOM 0 H GLY A 18 -11.088 -9.731 -19.849 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.510 -7.196 -20.275 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.144 -8.822 -20.436 1.00 0.00 H new ATOM 248 N PRO A 19 -14.026 -9.001 -18.112 1.00 0.00 N ATOM 249 CA PRO A 19 -14.677 -9.043 -16.799 1.00 0.00 C ATOM 250 C PRO A 19 -13.732 -9.509 -15.697 1.00 0.00 C ATOM 251 O PRO A 19 -13.289 -10.658 -15.691 1.00 0.00 O ATOM 252 CB PRO A 19 -15.808 -10.056 -16.997 1.00 0.00 C ATOM 253 CG PRO A 19 -15.343 -10.930 -18.111 1.00 0.00 C ATOM 254 CD PRO A 19 -14.529 -10.048 -19.017 1.00 0.00 C ATOM 0 HA PRO A 19 -15.018 -8.058 -16.482 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -15.986 -10.633 -16.089 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.745 -9.559 -17.248 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.745 -11.759 -17.733 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.188 -11.364 -18.645 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.714 -10.598 -19.487 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.135 -9.628 -19.820 1.00 0.00 H new ATOM 262 N ARG A 20 -13.427 -8.610 -14.767 1.00 0.00 N ATOM 263 CA ARG A 20 -12.534 -8.930 -13.660 1.00 0.00 C ATOM 264 C ARG A 20 -13.319 -9.445 -12.458 1.00 0.00 C ATOM 265 O ARG A 20 -14.544 -9.321 -12.403 1.00 0.00 O ATOM 266 CB ARG A 20 -11.721 -7.697 -13.261 1.00 0.00 C ATOM 267 CG ARG A 20 -10.554 -7.409 -14.192 1.00 0.00 C ATOM 268 CD ARG A 20 -9.310 -8.179 -13.780 1.00 0.00 C ATOM 269 NE ARG A 20 -8.546 -7.477 -12.752 1.00 0.00 N ATOM 270 CZ ARG A 20 -7.321 -7.828 -12.378 1.00 0.00 C ATOM 271 NH1 ARG A 20 -6.724 -8.868 -12.944 1.00 0.00 N ATOM 272 NH2 ARG A 20 -6.690 -7.139 -11.436 1.00 0.00 N ATOM 0 H ARG A 20 -13.785 -7.655 -14.758 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.854 -9.715 -13.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.380 -6.829 -13.239 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.342 -7.835 -12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.827 -7.676 -15.213 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.340 -6.340 -14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.599 -9.162 -13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.678 -8.341 -14.653 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.977 -6.673 -12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.206 -9.400 -13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.783 -9.135 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.146 -6.338 -10.998 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.749 -7.410 -11.150 1.00 0.00 H new ATOM 286 N LEU A 21 -12.608 -10.024 -11.497 1.00 0.00 N ATOM 287 CA LEU A 21 -13.238 -10.559 -10.295 1.00 0.00 C ATOM 288 C LEU A 21 -13.182 -9.548 -9.154 1.00 0.00 C ATOM 289 O LEU A 21 -12.104 -9.109 -8.755 1.00 0.00 O ATOM 290 CB LEU A 21 -12.554 -11.860 -9.872 1.00 0.00 C ATOM 291 CG LEU A 21 -13.053 -13.134 -10.556 1.00 0.00 C ATOM 292 CD1 LEU A 21 -14.526 -13.360 -10.253 1.00 0.00 C ATOM 293 CD2 LEU A 21 -12.820 -13.059 -12.058 1.00 0.00 C ATOM 0 H LEU A 21 -11.595 -10.135 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.284 -10.763 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.485 -11.764 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.676 -11.978 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.489 -13.980 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.864 -14.271 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.665 -13.459 -9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.107 -12.512 -10.617 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.181 -13.974 -12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.358 -12.204 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.754 -12.946 -12.256 1.00 0.00 H new ATOM 305 N GLN A 22 -14.350 -9.185 -8.634 1.00 0.00 N ATOM 306 CA GLN A 22 -14.433 -8.226 -7.539 1.00 0.00 C ATOM 307 C GLN A 22 -14.588 -8.942 -6.200 1.00 0.00 C ATOM 308 O GLN A 22 -15.579 -9.632 -5.966 1.00 0.00 O ATOM 309 CB GLN A 22 -15.607 -7.270 -7.757 1.00 0.00 C ATOM 310 CG GLN A 22 -15.806 -6.282 -6.620 1.00 0.00 C ATOM 311 CD GLN A 22 -16.685 -6.834 -5.514 1.00 0.00 C ATOM 312 OE1 GLN A 22 -16.212 -7.545 -4.627 1.00 0.00 O ATOM 313 NE2 GLN A 22 -17.971 -6.509 -5.562 1.00 0.00 N ATOM 0 H GLN A 22 -15.251 -9.540 -8.953 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.506 -7.653 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.448 -6.718 -8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.520 -7.852 -7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.835 -6.010 -6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.252 -5.368 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.320 -5.917 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.611 -6.851 -4.845 1.00 0.00 H new ATOM 322 N ASN A 23 -13.601 -8.772 -5.327 1.00 0.00 N ATOM 323 CA ASN A 23 -13.627 -9.402 -4.012 1.00 0.00 C ATOM 324 C ASN A 23 -12.989 -8.497 -2.962 1.00 0.00 C ATOM 325 O ASN A 23 -11.828 -8.107 -3.087 1.00 0.00 O ATOM 326 CB ASN A 23 -12.898 -10.747 -4.053 1.00 0.00 C ATOM 327 CG ASN A 23 -13.258 -11.636 -2.879 1.00 0.00 C ATOM 328 OD1 ASN A 23 -12.966 -11.311 -1.728 1.00 0.00 O ATOM 329 ND2 ASN A 23 -13.895 -12.765 -3.165 1.00 0.00 N ATOM 0 H ASN A 23 -12.773 -8.203 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.669 -9.569 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.142 -11.261 -4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.822 -10.574 -4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.163 -13.403 -2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.117 -12.994 -4.134 1.00 0.00 H new ATOM 336 N SER A 24 -13.755 -8.168 -1.927 1.00 0.00 N ATOM 337 CA SER A 24 -13.266 -7.307 -0.857 1.00 0.00 C ATOM 338 C SER A 24 -11.961 -7.846 -0.280 1.00 0.00 C ATOM 339 O SER A 24 -11.950 -8.853 0.430 1.00 0.00 O ATOM 340 CB SER A 24 -14.316 -7.188 0.250 1.00 0.00 C ATOM 341 OG SER A 24 -15.514 -6.615 -0.243 1.00 0.00 O ATOM 0 H SER A 24 -14.717 -8.485 -1.807 1.00 0.00 H new ATOM 0 HA SER A 24 -13.077 -6.319 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.525 -8.174 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.924 -6.576 1.063 1.00 0.00 H new ATOM 0 HG SER A 24 -16.169 -6.551 0.483 1.00 0.00 H new ATOM 347 N THR A 25 -10.860 -7.168 -0.589 1.00 0.00 N ATOM 348 CA THR A 25 -9.548 -7.578 -0.103 1.00 0.00 C ATOM 349 C THR A 25 -8.886 -6.463 0.697 1.00 0.00 C ATOM 350 O THR A 25 -9.031 -5.284 0.376 1.00 0.00 O ATOM 351 CB THR A 25 -8.620 -7.982 -1.265 1.00 0.00 C ATOM 352 OG1 THR A 25 -8.671 -6.993 -2.299 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.019 -9.336 -1.830 1.00 0.00 C ATOM 0 H THR A 25 -10.851 -6.332 -1.174 1.00 0.00 H new ATOM 0 HA THR A 25 -9.705 -8.441 0.544 1.00 0.00 H new ATOM 0 HB THR A 25 -7.602 -8.053 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.667 -7.434 -3.174 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.350 -9.600 -2.649 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.950 -10.091 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.043 -9.289 -2.199 1.00 0.00 H new ATOM 361 N TYR A 26 -8.158 -6.843 1.741 1.00 0.00 N ATOM 362 CA TYR A 26 -7.474 -5.875 2.590 1.00 0.00 C ATOM 363 C TYR A 26 -6.256 -5.291 1.879 1.00 0.00 C ATOM 364 O TYR A 26 -5.333 -6.017 1.511 1.00 0.00 O ATOM 365 CB TYR A 26 -7.046 -6.529 3.904 1.00 0.00 C ATOM 366 CG TYR A 26 -8.182 -6.722 4.883 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.331 -7.413 4.516 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.108 -6.214 6.174 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.372 -7.591 5.406 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.143 -6.389 7.071 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.273 -7.078 6.683 1.00 0.00 C ATOM 372 OH TYR A 26 -11.307 -7.253 7.573 1.00 0.00 O ATOM 0 H TYR A 26 -8.026 -7.815 2.020 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.170 -5.064 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.595 -7.498 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.275 -5.916 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.411 -7.818 3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.225 -5.673 6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.259 -8.129 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.068 -5.988 8.071 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.960 -7.635 8.406 1.00 0.00 H new ATOM 382 N GLN A 27 -6.264 -3.976 1.690 1.00 0.00 N ATOM 383 CA GLN A 27 -5.161 -3.294 1.023 1.00 0.00 C ATOM 384 C GLN A 27 -4.140 -2.789 2.037 1.00 0.00 C ATOM 385 O GLN A 27 -4.238 -1.663 2.525 1.00 0.00 O ATOM 386 CB GLN A 27 -5.686 -2.127 0.186 1.00 0.00 C ATOM 387 CG GLN A 27 -4.587 -1.257 -0.403 1.00 0.00 C ATOM 388 CD GLN A 27 -4.035 -1.813 -1.701 1.00 0.00 C ATOM 389 OE1 GLN A 27 -4.544 -1.516 -2.782 1.00 0.00 O ATOM 390 NE2 GLN A 27 -2.989 -2.624 -1.600 1.00 0.00 N ATOM 0 H GLN A 27 -7.021 -3.362 1.989 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.669 -4.011 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.300 -2.520 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.334 -1.508 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.977 -0.255 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.777 -1.162 0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.600 -2.843 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.574 -3.029 -2.440 1.00 0.00 H new ATOM 399 N CYS A 28 -3.160 -3.630 2.351 1.00 0.00 N ATOM 400 CA CYS A 28 -2.121 -3.270 3.309 1.00 0.00 C ATOM 401 C CYS A 28 -1.597 -1.862 3.040 1.00 0.00 C ATOM 402 O CYS A 28 -1.445 -1.453 1.888 1.00 0.00 O ATOM 403 CB CYS A 28 -0.969 -4.275 3.244 1.00 0.00 C ATOM 404 SG CYS A 28 0.222 -4.131 4.616 1.00 0.00 S ATOM 0 H CYS A 28 -3.064 -4.565 1.956 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.558 -3.292 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.381 -5.284 3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.438 -4.143 2.301 1.00 0.00 H new ATOM 409 N LYS A 29 -1.323 -1.125 4.110 1.00 0.00 N ATOM 410 CA LYS A 29 -0.815 0.237 3.992 1.00 0.00 C ATOM 411 C LYS A 29 0.688 0.281 4.248 1.00 0.00 C ATOM 412 O LYS A 29 1.242 1.331 4.576 1.00 0.00 O ATOM 413 CB LYS A 29 -1.537 1.160 4.977 1.00 0.00 C ATOM 414 CG LYS A 29 -0.999 1.078 6.395 1.00 0.00 C ATOM 415 CD LYS A 29 -1.783 0.081 7.232 1.00 0.00 C ATOM 416 CE LYS A 29 -3.087 0.680 7.735 1.00 0.00 C ATOM 417 NZ LYS A 29 -4.194 0.503 6.755 1.00 0.00 N ATOM 0 H LYS A 29 -1.444 -1.448 5.070 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.004 0.581 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.455 2.188 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.598 0.910 4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.051 0.787 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.047 2.062 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.995 -0.808 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.178 -0.240 8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.361 0.212 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.945 1.742 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.082 0.316 7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.296 1.368 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.979 -0.299 6.129 1.00 0.00 H new ATOM 431 N HIS A 30 1.344 -0.865 4.092 1.00 0.00 N ATOM 432 CA HIS A 30 2.784 -0.956 4.304 1.00 0.00 C ATOM 433 C HIS A 30 3.499 -1.355 3.017 1.00 0.00 C ATOM 434 O HIS A 30 4.609 -0.900 2.743 1.00 0.00 O ATOM 435 CB HIS A 30 3.096 -1.966 5.409 1.00 0.00 C ATOM 436 CG HIS A 30 3.069 -1.376 6.785 1.00 0.00 C ATOM 437 ND1 HIS A 30 1.918 -0.899 7.377 1.00 0.00 N ATOM 438 CD2 HIS A 30 4.060 -1.189 7.688 1.00 0.00 C ATOM 439 CE1 HIS A 30 2.203 -0.442 8.583 1.00 0.00 C ATOM 440 NE2 HIS A 30 3.496 -0.607 8.797 1.00 0.00 N ATOM 0 H HIS A 30 0.901 -1.743 3.820 1.00 0.00 H new ATOM 0 HA HIS A 30 3.144 0.027 4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.375 -2.782 5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.080 -2.398 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.100 -1.449 7.560 1.00 0.00 H new ATOM 0 HE1 HIS A 30 1.498 -0.007 9.276 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.994 -0.345 9.647 1.00 0.00 H new ATOM 448 N CYS A 31 2.854 -2.210 2.229 1.00 0.00 N ATOM 449 CA CYS A 31 3.427 -2.673 0.971 1.00 0.00 C ATOM 450 C CYS A 31 2.401 -2.594 -0.156 1.00 0.00 C ATOM 451 O CYS A 31 2.699 -2.922 -1.304 1.00 0.00 O ATOM 452 CB CYS A 31 3.934 -4.109 1.115 1.00 0.00 C ATOM 453 SG CYS A 31 2.667 -5.292 1.676 1.00 0.00 S ATOM 0 H CYS A 31 1.934 -2.596 2.440 1.00 0.00 H new ATOM 0 HA CYS A 31 4.265 -2.023 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.327 -4.442 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.765 -4.121 1.821 1.00 0.00 H new ATOM 458 N ASP A 32 1.193 -2.157 0.182 1.00 0.00 N ATOM 459 CA ASP A 32 0.122 -2.034 -0.801 1.00 0.00 C ATOM 460 C ASP A 32 -0.265 -3.401 -1.357 1.00 0.00 C ATOM 461 O ASP A 32 -0.517 -3.547 -2.553 1.00 0.00 O ATOM 462 CB ASP A 32 0.552 -1.109 -1.941 1.00 0.00 C ATOM 463 CG ASP A 32 0.176 0.337 -1.686 1.00 0.00 C ATOM 464 OD1 ASP A 32 0.084 0.726 -0.503 1.00 0.00 O ATOM 465 OD2 ASP A 32 -0.028 1.080 -2.669 1.00 0.00 O ATOM 0 H ASP A 32 0.931 -1.882 1.129 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.748 -1.605 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.631 -1.182 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.090 -1.443 -2.870 1.00 0.00 H new ATOM 470 N SER A 33 -0.310 -4.399 -0.480 1.00 0.00 N ATOM 471 CA SER A 33 -0.662 -5.755 -0.884 1.00 0.00 C ATOM 472 C SER A 33 -2.173 -5.961 -0.838 1.00 0.00 C ATOM 473 O SER A 33 -2.932 -5.025 -0.585 1.00 0.00 O ATOM 474 CB SER A 33 0.031 -6.776 0.021 1.00 0.00 C ATOM 475 OG SER A 33 -0.218 -8.100 -0.420 1.00 0.00 O ATOM 0 H SER A 33 -0.107 -4.294 0.514 1.00 0.00 H new ATOM 0 HA SER A 33 -0.324 -5.901 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.105 -6.588 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.323 -6.658 1.045 1.00 0.00 H new ATOM 0 HG SER A 33 -0.091 -8.151 -1.390 1.00 0.00 H new ATOM 481 N LYS A 34 -2.604 -7.193 -1.086 1.00 0.00 N ATOM 482 CA LYS A 34 -4.024 -7.525 -1.072 1.00 0.00 C ATOM 483 C LYS A 34 -4.268 -8.838 -0.335 1.00 0.00 C ATOM 484 O LYS A 34 -3.884 -9.909 -0.809 1.00 0.00 O ATOM 485 CB LYS A 34 -4.559 -7.623 -2.502 1.00 0.00 C ATOM 486 CG LYS A 34 -4.973 -6.285 -3.090 1.00 0.00 C ATOM 487 CD LYS A 34 -5.830 -6.462 -4.332 1.00 0.00 C ATOM 488 CE LYS A 34 -6.241 -5.122 -4.922 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.569 -5.230 -6.370 1.00 0.00 N ATOM 0 H LYS A 34 -1.990 -7.979 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.553 -6.730 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.794 -8.068 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.416 -8.297 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.526 -5.714 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.084 -5.706 -3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.278 -7.035 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.720 -7.039 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.106 -4.737 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.434 -4.402 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.844 -4.296 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.736 -5.573 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.356 -5.897 -6.499 1.00 0.00 H new ATOM 503 N LEU A 35 -4.910 -8.750 0.824 1.00 0.00 N ATOM 504 CA LEU A 35 -5.208 -9.932 1.626 1.00 0.00 C ATOM 505 C LEU A 35 -6.702 -10.237 1.612 1.00 0.00 C ATOM 506 O LEU A 35 -7.517 -9.378 1.276 1.00 0.00 O ATOM 507 CB LEU A 35 -4.731 -9.729 3.065 1.00 0.00 C ATOM 508 CG LEU A 35 -3.266 -10.070 3.341 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.356 -9.349 2.359 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.896 -9.715 4.773 1.00 0.00 C ATOM 0 H LEU A 35 -5.235 -7.872 1.230 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.679 -10.779 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.898 -8.687 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.354 -10.335 3.722 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.132 -11.144 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.318 -9.604 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.604 -9.653 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.493 -8.272 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.850 -9.965 4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.047 -8.648 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.526 -10.278 5.462 1.00 0.00 H new ATOM 522 N GLN A 36 -7.054 -11.465 1.981 1.00 0.00 N ATOM 523 CA GLN A 36 -8.450 -11.882 2.012 1.00 0.00 C ATOM 524 C GLN A 36 -9.192 -11.215 3.165 1.00 0.00 C ATOM 525 O GLN A 36 -10.080 -10.390 2.951 1.00 0.00 O ATOM 526 CB GLN A 36 -8.547 -13.404 2.139 1.00 0.00 C ATOM 527 CG GLN A 36 -8.072 -14.149 0.903 1.00 0.00 C ATOM 528 CD GLN A 36 -9.010 -13.982 -0.276 1.00 0.00 C ATOM 529 OE1 GLN A 36 -9.203 -12.875 -0.779 1.00 0.00 O ATOM 530 NE2 GLN A 36 -9.600 -15.084 -0.725 1.00 0.00 N ATOM 0 H GLN A 36 -6.391 -12.188 2.262 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.916 -11.572 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.957 -13.727 2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.582 -13.678 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.080 -13.791 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.975 -15.209 1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.412 -15.981 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.241 -15.033 -1.516 1.00 0.00 H new ATOM 539 N SER A 37 -8.823 -11.579 4.389 1.00 0.00 N ATOM 540 CA SER A 37 -9.457 -11.019 5.577 1.00 0.00 C ATOM 541 C SER A 37 -8.420 -10.719 6.656 1.00 0.00 C ATOM 542 O SER A 37 -7.235 -11.012 6.493 1.00 0.00 O ATOM 543 CB SER A 37 -10.511 -11.985 6.122 1.00 0.00 C ATOM 544 OG SER A 37 -10.002 -13.305 6.201 1.00 0.00 O ATOM 0 H SER A 37 -8.088 -12.259 4.584 1.00 0.00 H new ATOM 0 HA SER A 37 -9.942 -10.085 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.833 -11.657 7.110 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.391 -11.969 5.478 1.00 0.00 H new ATOM 0 HG SER A 37 -10.694 -13.902 6.554 1.00 0.00 H new ATOM 550 N THR A 38 -8.875 -10.133 7.758 1.00 0.00 N ATOM 551 CA THR A 38 -7.989 -9.791 8.864 1.00 0.00 C ATOM 552 C THR A 38 -7.119 -10.979 9.258 1.00 0.00 C ATOM 553 O THR A 38 -5.910 -10.842 9.441 1.00 0.00 O ATOM 554 CB THR A 38 -8.784 -9.320 10.096 1.00 0.00 C ATOM 555 OG1 THR A 38 -9.618 -8.210 9.746 1.00 0.00 O ATOM 556 CG2 THR A 38 -7.846 -8.919 11.224 1.00 0.00 C ATOM 0 H THR A 38 -9.853 -9.885 7.909 1.00 0.00 H new ATOM 0 HA THR A 38 -7.352 -8.976 8.519 1.00 0.00 H new ATOM 0 HB THR A 38 -9.406 -10.148 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.216 -7.722 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.430 -8.590 12.083 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.232 -9.774 11.508 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.202 -8.105 10.890 1.00 0.00 H new ATOM 564 N ALA A 39 -7.742 -12.146 9.388 1.00 0.00 N ATOM 565 CA ALA A 39 -7.024 -13.359 9.758 1.00 0.00 C ATOM 566 C ALA A 39 -5.693 -13.455 9.020 1.00 0.00 C ATOM 567 O ALA A 39 -4.709 -13.958 9.561 1.00 0.00 O ATOM 568 CB ALA A 39 -7.878 -14.585 9.474 1.00 0.00 C ATOM 0 H ALA A 39 -8.743 -12.277 9.242 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.814 -13.317 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.329 -15.484 9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.801 -14.528 10.052 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.117 -14.624 8.411 1.00 0.00 H new ATOM 574 N GLU A 40 -5.671 -12.971 7.782 1.00 0.00 N ATOM 575 CA GLU A 40 -4.461 -13.005 6.970 1.00 0.00 C ATOM 576 C GLU A 40 -3.540 -11.839 7.318 1.00 0.00 C ATOM 577 O GLU A 40 -2.318 -11.989 7.359 1.00 0.00 O ATOM 578 CB GLU A 40 -4.816 -12.963 5.483 1.00 0.00 C ATOM 579 CG GLU A 40 -5.173 -14.322 4.904 1.00 0.00 C ATOM 580 CD GLU A 40 -4.862 -14.425 3.423 1.00 0.00 C ATOM 581 OE1 GLU A 40 -4.944 -13.392 2.726 1.00 0.00 O ATOM 582 OE2 GLU A 40 -4.536 -15.539 2.962 1.00 0.00 O ATOM 0 H GLU A 40 -6.477 -12.551 7.320 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.937 -13.936 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.656 -12.283 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.973 -12.551 4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.626 -15.097 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.234 -14.513 5.063 1.00 0.00 H new ATOM 589 N LEU A 41 -4.134 -10.677 7.565 1.00 0.00 N ATOM 590 CA LEU A 41 -3.369 -9.484 7.909 1.00 0.00 C ATOM 591 C LEU A 41 -2.631 -9.671 9.231 1.00 0.00 C ATOM 592 O LEU A 41 -1.511 -9.190 9.404 1.00 0.00 O ATOM 593 CB LEU A 41 -4.293 -8.268 7.995 1.00 0.00 C ATOM 594 CG LEU A 41 -3.623 -6.903 7.838 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.077 -6.735 6.428 1.00 0.00 C ATOM 596 CD2 LEU A 41 -4.603 -5.786 8.168 1.00 0.00 C ATOM 0 H LEU A 41 -5.144 -10.536 7.533 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.632 -9.317 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.060 -8.364 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.803 -8.292 8.958 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.789 -6.847 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.604 -5.757 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.342 -7.515 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.893 -6.812 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.109 -4.822 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.457 -5.840 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.946 -5.895 9.197 1.00 0.00 H new ATOM 608 N THR A 42 -3.266 -10.376 10.162 1.00 0.00 N ATOM 609 CA THR A 42 -2.671 -10.629 11.468 1.00 0.00 C ATOM 610 C THR A 42 -1.326 -11.333 11.332 1.00 0.00 C ATOM 611 O THR A 42 -0.409 -11.098 12.120 1.00 0.00 O ATOM 612 CB THR A 42 -3.598 -11.484 12.352 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.853 -10.819 12.533 1.00 0.00 O ATOM 614 CG2 THR A 42 -2.960 -11.750 13.707 1.00 0.00 C ATOM 0 H THR A 42 -4.193 -10.782 10.035 1.00 0.00 H new ATOM 0 HA THR A 42 -2.524 -9.658 11.941 1.00 0.00 H new ATOM 0 HB THR A 42 -3.762 -12.438 11.851 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.324 -10.770 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.633 -12.356 14.314 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.019 -12.282 13.568 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.770 -10.803 14.212 1.00 0.00 H new ATOM 622 N SER A 43 -1.213 -12.196 10.328 1.00 0.00 N ATOM 623 CA SER A 43 0.020 -12.936 10.090 1.00 0.00 C ATOM 624 C SER A 43 0.939 -12.172 9.143 1.00 0.00 C ATOM 625 O SER A 43 2.149 -12.093 9.361 1.00 0.00 O ATOM 626 CB SER A 43 -0.293 -14.318 9.512 1.00 0.00 C ATOM 627 OG SER A 43 -0.962 -15.129 10.462 1.00 0.00 O ATOM 0 H SER A 43 -1.961 -12.400 9.666 1.00 0.00 H new ATOM 0 HA SER A 43 0.532 -13.057 11.045 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.911 -14.211 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.632 -14.804 9.202 1.00 0.00 H new ATOM 0 HG SER A 43 -1.152 -16.006 10.068 1.00 0.00 H new ATOM 633 N HIS A 44 0.356 -11.609 8.089 1.00 0.00 N ATOM 634 CA HIS A 44 1.122 -10.850 7.106 1.00 0.00 C ATOM 635 C HIS A 44 1.844 -9.679 7.767 1.00 0.00 C ATOM 636 O HIS A 44 3.060 -9.536 7.642 1.00 0.00 O ATOM 637 CB HIS A 44 0.202 -10.337 5.998 1.00 0.00 C ATOM 638 CG HIS A 44 0.849 -9.323 5.105 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.584 -9.663 3.989 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.865 -7.971 5.167 1.00 0.00 C ATOM 641 CE1 HIS A 44 2.026 -8.564 3.404 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.604 -7.524 4.099 1.00 0.00 N ATOM 0 H HIS A 44 -0.644 -11.664 7.894 1.00 0.00 H new ATOM 0 HA HIS A 44 1.868 -11.515 6.670 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.132 -11.181 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.687 -9.897 6.450 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.759 -10.614 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.386 -7.358 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.630 -8.523 2.509 1.00 0.00 H new ATOM 650 N LEU A 45 1.086 -8.844 8.470 1.00 0.00 N ATOM 651 CA LEU A 45 1.653 -7.685 9.150 1.00 0.00 C ATOM 652 C LEU A 45 2.900 -8.073 9.939 1.00 0.00 C ATOM 653 O LEU A 45 3.931 -7.406 9.856 1.00 0.00 O ATOM 654 CB LEU A 45 0.617 -7.061 10.087 1.00 0.00 C ATOM 655 CG LEU A 45 -0.293 -6.000 9.469 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.387 -5.599 10.447 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.517 -4.784 9.044 1.00 0.00 C ATOM 0 H LEU A 45 0.078 -8.948 8.584 1.00 0.00 H new ATOM 0 HA LEU A 45 1.937 -6.954 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.008 -7.859 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.142 -6.614 10.931 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.764 -6.425 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.025 -4.843 9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.986 -6.473 10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.935 -5.193 11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.147 -4.039 8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.017 -4.358 9.914 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.263 -5.083 8.307 1.00 0.00 H new ATOM 669 N ASN A 46 2.798 -9.156 10.702 1.00 0.00 N ATOM 670 CA ASN A 46 3.919 -9.634 11.505 1.00 0.00 C ATOM 671 C ASN A 46 5.227 -9.531 10.727 1.00 0.00 C ATOM 672 O ASN A 46 6.263 -9.163 11.282 1.00 0.00 O ATOM 673 CB ASN A 46 3.682 -11.082 11.937 1.00 0.00 C ATOM 674 CG ASN A 46 2.508 -11.217 12.888 1.00 0.00 C ATOM 675 OD1 ASN A 46 2.224 -10.312 13.673 1.00 0.00 O ATOM 676 ND2 ASN A 46 1.820 -12.350 12.820 1.00 0.00 N ATOM 0 H ASN A 46 1.951 -9.719 10.782 1.00 0.00 H new ATOM 0 HA ASN A 46 3.994 -9.005 12.392 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.504 -11.697 11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.581 -11.467 12.418 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.019 -12.498 13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.092 -13.073 12.153 1.00 0.00 H new ATOM 683 N ILE A 47 5.172 -9.857 9.440 1.00 0.00 N ATOM 684 CA ILE A 47 6.352 -9.800 8.587 1.00 0.00 C ATOM 685 C ILE A 47 7.074 -8.465 8.736 1.00 0.00 C ATOM 686 O ILE A 47 8.290 -8.422 8.929 1.00 0.00 O ATOM 687 CB ILE A 47 5.986 -10.010 7.106 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.360 -11.391 6.903 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.218 -9.846 6.228 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.680 -11.555 5.562 1.00 0.00 C ATOM 0 H ILE A 47 4.323 -10.163 8.965 1.00 0.00 H new ATOM 0 HA ILE A 47 7.013 -10.605 8.908 1.00 0.00 H new ATOM 0 HB ILE A 47 5.255 -9.255 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.135 -12.151 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.633 -11.571 7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.944 -9.997 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.624 -8.842 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.970 -10.581 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.259 -12.558 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.882 -10.819 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.408 -11.407 4.764 1.00 0.00 H new ATOM 702 N HIS A 48 6.317 -7.376 8.648 1.00 0.00 N ATOM 703 CA HIS A 48 6.885 -6.038 8.775 1.00 0.00 C ATOM 704 C HIS A 48 7.547 -5.857 10.138 1.00 0.00 C ATOM 705 O HIS A 48 8.659 -5.338 10.234 1.00 0.00 O ATOM 706 CB HIS A 48 5.799 -4.980 8.579 1.00 0.00 C ATOM 707 CG HIS A 48 5.270 -4.918 7.179 1.00 0.00 C ATOM 708 ND1 HIS A 48 6.070 -5.058 6.065 1.00 0.00 N ATOM 709 CD2 HIS A 48 4.012 -4.730 6.715 1.00 0.00 C ATOM 710 CE1 HIS A 48 5.328 -4.958 4.977 1.00 0.00 C ATOM 711 NE2 HIS A 48 4.075 -4.760 5.344 1.00 0.00 N ATOM 0 H HIS A 48 5.310 -7.393 8.489 1.00 0.00 H new ATOM 0 HA HIS A 48 7.644 -5.917 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.975 -5.186 9.261 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.201 -4.004 8.851 1.00 0.00 H new ATOM 0 HD1 HIS A 48 7.078 -5.214 6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.124 -4.584 7.312 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.685 -5.027 3.960 1.00 0.00 H new ATOM 719 N ASN A 49 6.856 -6.287 11.188 1.00 0.00 N ATOM 720 CA ASN A 49 7.377 -6.171 12.546 1.00 0.00 C ATOM 721 C ASN A 49 8.763 -6.801 12.652 1.00 0.00 C ATOM 722 O ASN A 49 9.691 -6.194 13.184 1.00 0.00 O ATOM 723 CB ASN A 49 6.423 -6.837 13.539 1.00 0.00 C ATOM 724 CG ASN A 49 4.974 -6.472 13.283 1.00 0.00 C ATOM 725 OD1 ASN A 49 4.398 -6.848 12.262 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.377 -5.734 14.213 1.00 0.00 N ATOM 0 H ASN A 49 5.934 -6.719 11.125 1.00 0.00 H new ATOM 0 HA ASN A 49 7.460 -5.111 12.788 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.538 -7.919 13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.695 -6.543 14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.402 -5.457 14.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.893 -5.445 15.044 1.00 0.00 H new ATOM 733 N GLU A 50 8.892 -8.022 12.142 1.00 0.00 N ATOM 734 CA GLU A 50 10.164 -8.734 12.180 1.00 0.00 C ATOM 735 C GLU A 50 11.250 -7.947 11.453 1.00 0.00 C ATOM 736 O GLU A 50 12.364 -7.798 11.955 1.00 0.00 O ATOM 737 CB GLU A 50 10.016 -10.121 11.552 1.00 0.00 C ATOM 738 CG GLU A 50 9.071 -11.036 12.313 1.00 0.00 C ATOM 739 CD GLU A 50 9.756 -11.765 13.452 1.00 0.00 C ATOM 740 OE1 GLU A 50 10.991 -11.937 13.391 1.00 0.00 O ATOM 741 OE2 GLU A 50 9.056 -12.164 14.407 1.00 0.00 O ATOM 0 H GLU A 50 8.132 -8.538 11.698 1.00 0.00 H new ATOM 0 HA GLU A 50 10.458 -8.845 13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.656 -10.011 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.997 -10.592 11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.243 -10.448 12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.644 -11.765 11.624 1.00 0.00 H new ATOM 748 N GLU A 51 10.917 -7.447 10.267 1.00 0.00 N ATOM 749 CA GLU A 51 11.865 -6.677 9.470 1.00 0.00 C ATOM 750 C GLU A 51 12.277 -5.401 10.198 1.00 0.00 C ATOM 751 O GLU A 51 13.452 -5.032 10.209 1.00 0.00 O ATOM 752 CB GLU A 51 11.255 -6.327 8.110 1.00 0.00 C ATOM 753 CG GLU A 51 10.871 -7.544 7.284 1.00 0.00 C ATOM 754 CD GLU A 51 10.180 -7.173 5.987 1.00 0.00 C ATOM 755 OE1 GLU A 51 10.874 -6.722 5.052 1.00 0.00 O ATOM 756 OE2 GLU A 51 8.944 -7.335 5.907 1.00 0.00 O ATOM 0 H GLU A 51 9.999 -7.561 9.837 1.00 0.00 H new ATOM 0 HA GLU A 51 12.753 -7.290 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.370 -5.710 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.967 -5.725 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.766 -8.125 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.213 -8.185 7.872 1.00 0.00 H new ATOM 763 N PHE A 52 11.303 -4.731 10.804 1.00 0.00 N ATOM 764 CA PHE A 52 11.563 -3.496 11.533 1.00 0.00 C ATOM 765 C PHE A 52 12.796 -3.638 12.421 1.00 0.00 C ATOM 766 O PHE A 52 13.655 -2.757 12.453 1.00 0.00 O ATOM 767 CB PHE A 52 10.350 -3.114 12.383 1.00 0.00 C ATOM 768 CG PHE A 52 10.574 -1.899 13.237 1.00 0.00 C ATOM 769 CD1 PHE A 52 10.842 -0.669 12.658 1.00 0.00 C ATOM 770 CD2 PHE A 52 10.516 -1.986 14.618 1.00 0.00 C ATOM 771 CE1 PHE A 52 11.049 0.451 13.440 1.00 0.00 C ATOM 772 CE2 PHE A 52 10.721 -0.869 15.406 1.00 0.00 C ATOM 773 CZ PHE A 52 10.989 0.351 14.816 1.00 0.00 C ATOM 0 H PHE A 52 10.326 -5.023 10.805 1.00 0.00 H new ATOM 0 HA PHE A 52 11.750 -2.707 10.805 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.499 -2.935 11.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.086 -3.955 13.024 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.890 -0.585 11.582 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.308 -2.938 15.085 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.257 1.404 12.976 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.672 -0.950 16.482 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.151 1.225 15.430 1.00 0.00 H new ATOM 783 N GLN A 53 12.875 -4.753 13.140 1.00 0.00 N ATOM 784 CA GLN A 53 14.001 -5.010 14.030 1.00 0.00 C ATOM 785 C GLN A 53 15.326 -4.764 13.315 1.00 0.00 C ATOM 786 O GLN A 53 16.194 -4.052 13.821 1.00 0.00 O ATOM 787 CB GLN A 53 13.948 -6.447 14.551 1.00 0.00 C ATOM 788 CG GLN A 53 12.948 -6.649 15.678 1.00 0.00 C ATOM 789 CD GLN A 53 13.035 -8.030 16.296 1.00 0.00 C ATOM 790 OE1 GLN A 53 12.163 -8.874 16.084 1.00 0.00 O ATOM 791 NE2 GLN A 53 14.091 -8.270 17.065 1.00 0.00 N ATOM 0 H GLN A 53 12.173 -5.493 13.124 1.00 0.00 H new ATOM 0 HA GLN A 53 13.931 -4.323 14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.694 -7.114 13.727 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.940 -6.735 14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.120 -5.899 16.450 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.940 -6.489 15.297 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.790 -7.542 17.214 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.203 -9.182 17.507 1.00 0.00 H new ATOM 800 N LYS A 54 15.476 -5.358 12.136 1.00 0.00 N ATOM 801 CA LYS A 54 16.694 -5.204 11.350 1.00 0.00 C ATOM 802 C LYS A 54 16.945 -3.736 11.017 1.00 0.00 C ATOM 803 O LYS A 54 18.035 -3.215 11.250 1.00 0.00 O ATOM 804 CB LYS A 54 16.601 -6.022 10.060 1.00 0.00 C ATOM 805 CG LYS A 54 17.079 -7.455 10.214 1.00 0.00 C ATOM 806 CD LYS A 54 16.456 -8.365 9.168 1.00 0.00 C ATOM 807 CE LYS A 54 15.138 -8.951 9.653 1.00 0.00 C ATOM 808 NZ LYS A 54 14.505 -9.821 8.623 1.00 0.00 N ATOM 0 H LYS A 54 14.768 -5.951 11.703 1.00 0.00 H new ATOM 0 HA LYS A 54 17.529 -5.571 11.946 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.566 -6.028 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.191 -5.532 9.285 1.00 0.00 H new ATOM 0 HG2 LYS A 54 18.165 -7.489 10.127 1.00 0.00 H new ATOM 0 HG3 LYS A 54 16.828 -7.819 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 54 16.289 -7.804 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.148 -9.172 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.310 -9.529 10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.455 -8.142 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.610 -10.201 8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.317 -9.263 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.145 -10.607 8.392 1.00 0.00 H new ATOM 822 N ARG A 55 15.928 -3.076 10.474 1.00 0.00 N ATOM 823 CA ARG A 55 16.038 -1.668 10.109 1.00 0.00 C ATOM 824 C ARG A 55 16.485 -0.831 11.304 1.00 0.00 C ATOM 825 O ARG A 55 17.170 0.179 11.146 1.00 0.00 O ATOM 826 CB ARG A 55 14.699 -1.150 9.581 1.00 0.00 C ATOM 827 CG ARG A 55 14.670 0.355 9.368 1.00 0.00 C ATOM 828 CD ARG A 55 15.435 0.755 8.116 1.00 0.00 C ATOM 829 NE ARG A 55 15.184 2.145 7.742 1.00 0.00 N ATOM 830 CZ ARG A 55 15.425 2.635 6.532 1.00 0.00 C ATOM 831 NH1 ARG A 55 15.920 1.852 5.582 1.00 0.00 N ATOM 832 NH2 ARG A 55 15.170 3.910 6.268 1.00 0.00 N ATOM 0 H ARG A 55 15.018 -3.493 10.277 1.00 0.00 H new ATOM 0 HA ARG A 55 16.789 -1.579 9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.473 -1.647 8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.911 -1.425 10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.637 0.692 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.102 0.855 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.503 0.611 8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.150 0.101 7.292 1.00 0.00 H new ATOM 0 HE ARG A 55 14.803 2.773 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.116 0.871 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.104 2.231 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.788 4.515 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.356 4.285 5.338 1.00 0.00 H new ATOM 846 N ALA A 56 16.091 -1.258 12.500 1.00 0.00 N ATOM 847 CA ALA A 56 16.451 -0.548 13.721 1.00 0.00 C ATOM 848 C ALA A 56 17.872 -0.891 14.156 1.00 0.00 C ATOM 849 O ALA A 56 18.078 -1.581 15.155 1.00 0.00 O ATOM 850 CB ALA A 56 15.464 -0.875 14.832 1.00 0.00 C ATOM 0 H ALA A 56 15.523 -2.092 12.649 1.00 0.00 H new ATOM 0 HA ALA A 56 16.409 0.522 13.516 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.745 -0.338 15.738 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.461 -0.574 14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.478 -1.947 15.027 1.00 0.00 H new ATOM 856 N LYS A 57 18.851 -0.407 13.399 1.00 0.00 N ATOM 857 CA LYS A 57 20.253 -0.661 13.705 1.00 0.00 C ATOM 858 C LYS A 57 20.943 0.610 14.192 1.00 0.00 C ATOM 859 O LYS A 57 20.315 1.663 14.306 1.00 0.00 O ATOM 860 CB LYS A 57 20.976 -1.206 12.471 1.00 0.00 C ATOM 861 CG LYS A 57 20.990 -2.722 12.395 1.00 0.00 C ATOM 862 CD LYS A 57 21.850 -3.215 11.243 1.00 0.00 C ATOM 863 CE LYS A 57 22.280 -4.659 11.446 1.00 0.00 C ATOM 864 NZ LYS A 57 23.583 -4.948 10.785 1.00 0.00 N ATOM 0 H LYS A 57 18.698 0.164 12.568 1.00 0.00 H new ATOM 0 HA LYS A 57 20.296 -1.404 14.501 1.00 0.00 H new ATOM 0 HB2 LYS A 57 20.497 -0.810 11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.003 -0.841 12.471 1.00 0.00 H new ATOM 0 HG2 LYS A 57 21.367 -3.131 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 57 19.971 -3.090 12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 57 21.294 -3.128 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.732 -2.582 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 22.360 -4.868 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 57 21.515 -5.325 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.841 -5.942 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 23.500 -4.773 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 24.319 -4.330 11.183 1.00 0.00 H new ATOM 878 N ARG A 58 22.237 0.504 14.475 1.00 0.00 N ATOM 879 CA ARG A 58 23.011 1.645 14.949 1.00 0.00 C ATOM 880 C ARG A 58 23.324 2.603 13.803 1.00 0.00 C ATOM 881 O ARG A 58 23.241 2.233 12.632 1.00 0.00 O ATOM 882 CB ARG A 58 24.311 1.171 15.601 1.00 0.00 C ATOM 883 CG ARG A 58 24.833 2.113 16.673 1.00 0.00 C ATOM 884 CD ARG A 58 26.079 1.556 17.345 1.00 0.00 C ATOM 885 NE ARG A 58 26.689 2.523 18.255 1.00 0.00 N ATOM 886 CZ ARG A 58 27.945 2.442 18.678 1.00 0.00 C ATOM 887 NH1 ARG A 58 28.721 1.445 18.276 1.00 0.00 N ATOM 888 NH2 ARG A 58 28.428 3.361 19.505 1.00 0.00 N ATOM 0 H ARG A 58 22.771 -0.360 14.384 1.00 0.00 H new ATOM 0 HA ARG A 58 22.413 2.175 15.690 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.149 0.187 16.041 1.00 0.00 H new ATOM 0 HB3 ARG A 58 25.073 1.054 14.830 1.00 0.00 H new ATOM 0 HG2 ARG A 58 25.060 3.082 16.228 1.00 0.00 H new ATOM 0 HG3 ARG A 58 24.058 2.280 17.421 1.00 0.00 H new ATOM 0 HD2 ARG A 58 25.820 0.652 17.897 1.00 0.00 H new ATOM 0 HD3 ARG A 58 26.804 1.268 16.583 1.00 0.00 H new ATOM 0 HE ARG A 58 26.119 3.303 18.583 1.00 0.00 H new ATOM 0 HH11 ARG A 58 28.354 0.737 17.640 1.00 0.00 H new ATOM 0 HH12 ARG A 58 29.685 1.386 18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 58 27.834 4.130 19.816 1.00 0.00 H new ATOM 0 HH22 ARG A 58 29.393 3.298 19.830 1.00 0.00 H new ATOM 902 N GLN A 59 23.683 3.835 14.150 1.00 0.00 N ATOM 903 CA GLN A 59 24.007 4.845 13.150 1.00 0.00 C ATOM 904 C GLN A 59 24.995 4.300 12.124 1.00 0.00 C ATOM 905 O GLN A 59 25.571 3.229 12.313 1.00 0.00 O ATOM 906 CB GLN A 59 24.587 6.091 13.822 1.00 0.00 C ATOM 907 CG GLN A 59 24.223 7.388 13.118 1.00 0.00 C ATOM 908 CD GLN A 59 22.725 7.602 13.028 1.00 0.00 C ATOM 909 OE1 GLN A 59 21.939 6.776 13.492 1.00 0.00 O ATOM 910 NE2 GLN A 59 22.321 8.716 12.429 1.00 0.00 N ATOM 0 H GLN A 59 23.757 4.157 15.115 1.00 0.00 H new ATOM 0 HA GLN A 59 23.086 5.115 12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 59 24.234 6.135 14.852 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.673 6.001 13.861 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.675 8.225 13.650 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.647 7.383 12.114 1.00 0.00 H new ATOM 0 HE21 GLN A 59 23.007 9.374 12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 59 21.324 8.914 12.339 1.00 0.00 H new ATOM 919 N GLU A 60 25.186 5.043 11.039 1.00 0.00 N ATOM 920 CA GLU A 60 26.104 4.632 9.984 1.00 0.00 C ATOM 921 C GLU A 60 25.651 3.320 9.349 1.00 0.00 C ATOM 922 O GLU A 60 26.412 2.355 9.283 1.00 0.00 O ATOM 923 CB GLU A 60 27.521 4.479 10.540 1.00 0.00 C ATOM 924 CG GLU A 60 28.272 5.794 10.663 1.00 0.00 C ATOM 925 CD GLU A 60 28.734 6.329 9.321 1.00 0.00 C ATOM 926 OE1 GLU A 60 29.437 5.593 8.598 1.00 0.00 O ATOM 927 OE2 GLU A 60 28.391 7.485 8.994 1.00 0.00 O ATOM 0 H GLU A 60 24.717 5.933 10.868 1.00 0.00 H new ATOM 0 HA GLU A 60 26.104 5.406 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.468 4.007 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 60 28.085 3.807 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 60 27.629 6.532 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 60 29.137 5.655 11.312 1.00 0.00 H new ATOM 934 N ARG A 61 24.406 3.294 8.884 1.00 0.00 N ATOM 935 CA ARG A 61 23.850 2.101 8.256 1.00 0.00 C ATOM 936 C ARG A 61 23.699 2.299 6.751 1.00 0.00 C ATOM 937 O ARG A 61 23.363 3.390 6.289 1.00 0.00 O ATOM 938 CB ARG A 61 22.494 1.758 8.875 1.00 0.00 C ATOM 939 CG ARG A 61 21.820 0.555 8.236 1.00 0.00 C ATOM 940 CD ARG A 61 20.344 0.486 8.598 1.00 0.00 C ATOM 941 NE ARG A 61 19.598 1.625 8.070 1.00 0.00 N ATOM 942 CZ ARG A 61 19.411 2.756 8.741 1.00 0.00 C ATOM 943 NH1 ARG A 61 19.914 2.899 9.959 1.00 0.00 N ATOM 944 NH2 ARG A 61 18.720 3.747 8.193 1.00 0.00 N ATOM 0 H ARG A 61 23.764 4.085 8.930 1.00 0.00 H new ATOM 0 HA ARG A 61 24.540 1.275 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.628 1.566 9.939 1.00 0.00 H new ATOM 0 HB3 ARG A 61 21.835 2.622 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 61 21.928 0.609 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 61 22.319 -0.358 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.918 -0.439 8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 61 20.238 0.454 9.682 1.00 0.00 H new ATOM 0 HE ARG A 61 19.199 1.548 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.446 2.139 10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.769 3.769 10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.332 3.641 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.577 4.615 8.709 1.00 0.00 H new ATOM 958 N ARG A 62 23.949 1.238 5.991 1.00 0.00 N ATOM 959 CA ARG A 62 23.842 1.296 4.538 1.00 0.00 C ATOM 960 C ARG A 62 22.410 1.606 4.111 1.00 0.00 C ATOM 961 O ARG A 62 21.477 1.510 4.908 1.00 0.00 O ATOM 962 CB ARG A 62 24.295 -0.028 3.919 1.00 0.00 C ATOM 963 CG ARG A 62 23.471 -1.224 4.368 1.00 0.00 C ATOM 964 CD ARG A 62 24.297 -2.500 4.371 1.00 0.00 C ATOM 965 NE ARG A 62 23.515 -3.658 4.795 1.00 0.00 N ATOM 966 CZ ARG A 62 22.729 -4.353 3.980 1.00 0.00 C ATOM 967 NH1 ARG A 62 22.622 -4.009 2.704 1.00 0.00 N ATOM 968 NH2 ARG A 62 22.048 -5.394 4.441 1.00 0.00 N ATOM 0 H ARG A 62 24.227 0.328 6.357 1.00 0.00 H new ATOM 0 HA ARG A 62 24.491 2.096 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 24.242 0.052 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 62 25.340 -0.201 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 62 23.078 -1.041 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 62 22.614 -1.346 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 62 24.694 -2.677 3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 62 25.152 -2.377 5.036 1.00 0.00 H new ATOM 0 HE ARG A 62 23.576 -3.949 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 62 23.144 -3.209 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 62 22.018 -4.544 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 62 22.128 -5.662 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 62 21.445 -5.927 3.814 1.00 0.00 H new ATOM 982 N LYS A 63 22.244 1.980 2.846 1.00 0.00 N ATOM 983 CA LYS A 63 20.927 2.304 2.311 1.00 0.00 C ATOM 984 C LYS A 63 20.675 1.564 1.001 1.00 0.00 C ATOM 985 O LYS A 63 21.611 1.253 0.264 1.00 0.00 O ATOM 986 CB LYS A 63 20.802 3.813 2.089 1.00 0.00 C ATOM 987 CG LYS A 63 19.407 4.353 2.355 1.00 0.00 C ATOM 988 CD LYS A 63 18.547 4.317 1.103 1.00 0.00 C ATOM 989 CE LYS A 63 18.675 5.604 0.302 1.00 0.00 C ATOM 990 NZ LYS A 63 19.772 5.526 -0.701 1.00 0.00 N ATOM 0 H LYS A 63 23.005 2.066 2.173 1.00 0.00 H new ATOM 0 HA LYS A 63 20.179 1.986 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.511 4.327 2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.083 4.045 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.932 3.765 3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.476 5.377 2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.841 3.470 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.504 4.162 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.733 5.811 -0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.861 6.437 0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.614 6.236 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.683 5.710 -0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.787 4.577 -1.126 1.00 0.00 H new ATOM 1004 N GLN A 64 19.407 1.286 0.718 1.00 0.00 N ATOM 1005 CA GLN A 64 19.033 0.584 -0.504 1.00 0.00 C ATOM 1006 C GLN A 64 19.032 1.532 -1.699 1.00 0.00 C ATOM 1007 O GLN A 64 19.192 2.743 -1.543 1.00 0.00 O ATOM 1008 CB GLN A 64 17.654 -0.059 -0.346 1.00 0.00 C ATOM 1009 CG GLN A 64 16.511 0.942 -0.364 1.00 0.00 C ATOM 1010 CD GLN A 64 15.150 0.274 -0.389 1.00 0.00 C ATOM 1011 OE1 GLN A 64 14.680 -0.165 -1.439 1.00 0.00 O ATOM 1012 NE2 GLN A 64 14.509 0.193 0.771 1.00 0.00 N ATOM 0 H GLN A 64 18.621 1.536 1.318 1.00 0.00 H new ATOM 0 HA GLN A 64 19.772 -0.197 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 64 17.505 -0.782 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 64 17.626 -0.613 0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.581 1.583 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.611 1.586 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.936 0.570 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.590 -0.247 0.816 1.00 0.00 H new ATOM 1021 N LEU A 65 18.850 0.974 -2.890 1.00 0.00 N ATOM 1022 CA LEU A 65 18.828 1.770 -4.113 1.00 0.00 C ATOM 1023 C LEU A 65 17.403 1.937 -4.628 1.00 0.00 C ATOM 1024 O LEU A 65 16.494 1.215 -4.217 1.00 0.00 O ATOM 1025 CB LEU A 65 19.698 1.114 -5.187 1.00 0.00 C ATOM 1026 CG LEU A 65 21.205 1.130 -4.933 1.00 0.00 C ATOM 1027 CD1 LEU A 65 21.624 -0.091 -4.130 1.00 0.00 C ATOM 1028 CD2 LEU A 65 21.968 1.193 -6.248 1.00 0.00 C ATOM 0 H LEU A 65 18.715 -0.027 -3.036 1.00 0.00 H new ATOM 0 HA LEU A 65 19.229 2.757 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.380 0.078 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.505 1.612 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 65 21.446 2.021 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 65 22.700 -0.062 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 65 21.104 -0.092 -3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 65 21.368 -0.995 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 65 23.039 1.204 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 65 21.721 0.321 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 21.691 2.099 -6.786 1.00 0.00 H new ATOM 1040 N LEU A 66 17.214 2.892 -5.532 1.00 0.00 N ATOM 1041 CA LEU A 66 15.899 3.153 -6.106 1.00 0.00 C ATOM 1042 C LEU A 66 16.018 3.604 -7.558 1.00 0.00 C ATOM 1043 O LEU A 66 16.930 4.352 -7.913 1.00 0.00 O ATOM 1044 CB LEU A 66 15.165 4.217 -5.288 1.00 0.00 C ATOM 1045 CG LEU A 66 15.670 5.652 -5.447 1.00 0.00 C ATOM 1046 CD1 LEU A 66 14.600 6.644 -5.019 1.00 0.00 C ATOM 1047 CD2 LEU A 66 16.946 5.861 -4.645 1.00 0.00 C ATOM 0 H LEU A 66 17.955 3.498 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 66 15.328 2.225 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.110 4.192 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.229 3.945 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 66 15.895 5.823 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.977 7.660 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.712 6.511 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.343 6.473 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.290 6.888 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.748 5.671 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.715 5.174 -4.999 1.00 0.00 H new ATOM 1059 N SER A 67 15.091 3.147 -8.393 1.00 0.00 N ATOM 1060 CA SER A 67 15.093 3.502 -9.807 1.00 0.00 C ATOM 1061 C SER A 67 14.321 4.797 -10.043 1.00 0.00 C ATOM 1062 O SER A 67 13.777 5.388 -9.111 1.00 0.00 O ATOM 1063 CB SER A 67 14.483 2.373 -10.640 1.00 0.00 C ATOM 1064 OG SER A 67 15.473 1.439 -11.036 1.00 0.00 O ATOM 0 H SER A 67 14.328 2.530 -8.115 1.00 0.00 H new ATOM 0 HA SER A 67 16.127 3.654 -10.116 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.711 1.866 -10.061 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.998 2.789 -11.523 1.00 0.00 H new ATOM 0 HG SER A 67 15.058 0.727 -11.565 1.00 0.00 H new ATOM 1070 N LYS A 68 14.278 5.232 -11.298 1.00 0.00 N ATOM 1071 CA LYS A 68 13.573 6.456 -11.660 1.00 0.00 C ATOM 1072 C LYS A 68 12.270 6.138 -12.386 1.00 0.00 C ATOM 1073 O LYS A 68 11.946 4.974 -12.616 1.00 0.00 O ATOM 1074 CB LYS A 68 14.459 7.338 -12.543 1.00 0.00 C ATOM 1075 CG LYS A 68 15.770 7.734 -11.885 1.00 0.00 C ATOM 1076 CD LYS A 68 15.573 8.861 -10.885 1.00 0.00 C ATOM 1077 CE LYS A 68 16.675 8.873 -9.836 1.00 0.00 C ATOM 1078 NZ LYS A 68 16.635 10.108 -9.004 1.00 0.00 N ATOM 0 H LYS A 68 14.723 4.755 -12.082 1.00 0.00 H new ATOM 0 HA LYS A 68 13.336 6.994 -10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.673 6.809 -13.472 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.909 8.240 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.201 6.869 -11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.483 8.045 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.558 9.816 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.605 8.751 -10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.574 7.999 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.645 8.797 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.401 10.078 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.757 10.942 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.719 10.168 -8.515 1.00 0.00 H new ATOM 1092 N GLN A 69 11.528 7.181 -12.746 1.00 0.00 N ATOM 1093 CA GLN A 69 10.261 7.012 -13.447 1.00 0.00 C ATOM 1094 C GLN A 69 10.464 7.064 -14.958 1.00 0.00 C ATOM 1095 O GLN A 69 11.578 7.272 -15.439 1.00 0.00 O ATOM 1096 CB GLN A 69 9.267 8.092 -13.016 1.00 0.00 C ATOM 1097 CG GLN A 69 8.440 7.707 -11.800 1.00 0.00 C ATOM 1098 CD GLN A 69 9.166 7.968 -10.495 1.00 0.00 C ATOM 1099 OE1 GLN A 69 9.879 7.104 -9.984 1.00 0.00 O ATOM 1100 NE2 GLN A 69 8.988 9.164 -9.947 1.00 0.00 N ATOM 0 H GLN A 69 11.783 8.152 -12.564 1.00 0.00 H new ATOM 0 HA GLN A 69 9.858 6.033 -13.186 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.813 9.010 -12.798 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.596 8.309 -13.847 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.505 8.267 -11.809 1.00 0.00 H new ATOM 0 HG3 GLN A 69 8.180 6.650 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.388 9.851 -10.405 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.451 9.396 -9.068 1.00 0.00 H new ATOM 1109 N LYS A 70 9.379 6.874 -15.702 1.00 0.00 N ATOM 1110 CA LYS A 70 9.436 6.901 -17.159 1.00 0.00 C ATOM 1111 C LYS A 70 9.014 8.265 -17.695 1.00 0.00 C ATOM 1112 O LYS A 70 9.449 8.682 -18.769 1.00 0.00 O ATOM 1113 CB LYS A 70 8.538 5.810 -17.745 1.00 0.00 C ATOM 1114 CG LYS A 70 8.947 5.367 -19.139 1.00 0.00 C ATOM 1115 CD LYS A 70 10.178 4.476 -19.102 1.00 0.00 C ATOM 1116 CE LYS A 70 10.839 4.382 -20.469 1.00 0.00 C ATOM 1117 NZ LYS A 70 10.269 3.275 -21.285 1.00 0.00 N ATOM 0 H LYS A 70 8.450 6.700 -15.320 1.00 0.00 H new ATOM 0 HA LYS A 70 10.467 6.715 -17.461 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.550 4.946 -17.081 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.511 6.174 -17.776 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.122 4.830 -19.608 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.149 6.243 -19.756 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.892 4.869 -18.378 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.897 3.479 -18.763 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.713 5.326 -20.999 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.911 4.227 -20.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.745 3.244 -22.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.412 2.371 -20.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.251 3.436 -21.426 1.00 0.00 H new ATOM 1131 N TYR A 71 8.166 8.955 -16.941 1.00 0.00 N ATOM 1132 CA TYR A 71 7.684 10.271 -17.342 1.00 0.00 C ATOM 1133 C TYR A 71 7.075 10.227 -18.740 1.00 0.00 C ATOM 1134 O TYR A 71 7.408 11.041 -19.600 1.00 0.00 O ATOM 1135 CB TYR A 71 8.825 11.289 -17.303 1.00 0.00 C ATOM 1136 CG TYR A 71 9.346 11.561 -15.909 1.00 0.00 C ATOM 1137 CD1 TYR A 71 10.327 10.755 -15.343 1.00 0.00 C ATOM 1138 CD2 TYR A 71 8.859 12.624 -15.160 1.00 0.00 C ATOM 1139 CE1 TYR A 71 10.805 11.000 -14.071 1.00 0.00 C ATOM 1140 CE2 TYR A 71 9.332 12.877 -13.887 1.00 0.00 C ATOM 1141 CZ TYR A 71 10.305 12.062 -13.347 1.00 0.00 C ATOM 1142 OH TYR A 71 10.780 12.310 -12.079 1.00 0.00 O ATOM 0 H TYR A 71 7.798 8.625 -16.049 1.00 0.00 H new ATOM 0 HA TYR A 71 6.910 10.575 -16.638 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.645 10.928 -17.924 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.481 12.225 -17.742 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.722 9.923 -15.908 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.097 13.264 -15.580 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.566 10.363 -13.645 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.942 13.708 -13.318 1.00 0.00 H new ATOM 0 HH TYR A 71 10.325 13.094 -11.707 1.00 0.00 H new ATOM 1152 N ALA A 72 6.181 9.268 -18.958 1.00 0.00 N ATOM 1153 CA ALA A 72 5.523 9.118 -20.250 1.00 0.00 C ATOM 1154 C ALA A 72 4.627 10.314 -20.553 1.00 0.00 C ATOM 1155 O ALA A 72 4.548 11.258 -19.766 1.00 0.00 O ATOM 1156 CB ALA A 72 4.714 7.829 -20.283 1.00 0.00 C ATOM 0 H ALA A 72 5.896 8.584 -18.257 1.00 0.00 H new ATOM 0 HA ALA A 72 6.294 9.071 -21.019 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.228 7.729 -21.253 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.377 6.979 -20.120 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.957 7.854 -19.499 1.00 0.00 H new ATOM 1162 N ASP A 73 3.956 10.270 -21.698 1.00 0.00 N ATOM 1163 CA ASP A 73 3.065 11.351 -22.105 1.00 0.00 C ATOM 1164 C ASP A 73 1.934 10.822 -22.982 1.00 0.00 C ATOM 1165 O ASP A 73 2.028 9.732 -23.544 1.00 0.00 O ATOM 1166 CB ASP A 73 3.848 12.429 -22.856 1.00 0.00 C ATOM 1167 CG ASP A 73 4.372 11.941 -24.192 1.00 0.00 C ATOM 1168 OD1 ASP A 73 3.613 11.994 -25.182 1.00 0.00 O ATOM 1169 OD2 ASP A 73 5.541 11.504 -24.247 1.00 0.00 O ATOM 0 H ASP A 73 4.012 9.497 -22.362 1.00 0.00 H new ATOM 0 HA ASP A 73 2.629 11.788 -21.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.206 13.295 -23.016 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.684 12.761 -22.241 1.00 0.00 H new ATOM 1174 N GLY A 74 0.865 11.604 -23.095 1.00 0.00 N ATOM 1175 CA GLY A 74 -0.270 11.197 -23.904 1.00 0.00 C ATOM 1176 C GLY A 74 -1.361 12.248 -23.942 1.00 0.00 C ATOM 1177 O GLY A 74 -1.895 12.636 -22.904 1.00 0.00 O ATOM 0 H GLY A 74 0.764 12.512 -22.641 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.067 10.991 -24.920 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.679 10.267 -23.509 1.00 0.00 H new ATOM 1181 N ALA A 75 -1.692 12.712 -25.143 1.00 0.00 N ATOM 1182 CA ALA A 75 -2.727 13.724 -25.312 1.00 0.00 C ATOM 1183 C ALA A 75 -4.034 13.099 -25.785 1.00 0.00 C ATOM 1184 O ALA A 75 -5.045 13.143 -25.083 1.00 0.00 O ATOM 1185 CB ALA A 75 -2.265 14.792 -26.293 1.00 0.00 C ATOM 0 H ALA A 75 -1.258 12.403 -26.013 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.907 14.189 -24.343 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.048 15.542 -26.410 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.361 15.268 -25.914 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.055 14.333 -27.259 1.00 0.00 H new ATOM 1191 N PHE A 76 -4.009 12.517 -26.980 1.00 0.00 N ATOM 1192 CA PHE A 76 -5.193 11.884 -27.548 1.00 0.00 C ATOM 1193 C PHE A 76 -5.158 10.374 -27.334 1.00 0.00 C ATOM 1194 O PHE A 76 -4.121 9.735 -27.509 1.00 0.00 O ATOM 1195 CB PHE A 76 -5.298 12.196 -29.042 1.00 0.00 C ATOM 1196 CG PHE A 76 -3.997 12.047 -29.778 1.00 0.00 C ATOM 1197 CD1 PHE A 76 -3.016 13.021 -29.683 1.00 0.00 C ATOM 1198 CD2 PHE A 76 -3.754 10.933 -30.565 1.00 0.00 C ATOM 1199 CE1 PHE A 76 -1.819 12.887 -30.359 1.00 0.00 C ATOM 1200 CE2 PHE A 76 -2.558 10.793 -31.244 1.00 0.00 C ATOM 1201 CZ PHE A 76 -1.589 11.771 -31.140 1.00 0.00 C ATOM 0 H PHE A 76 -3.181 12.471 -27.574 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.068 12.286 -27.038 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.039 11.535 -29.492 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.663 13.216 -29.167 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.189 13.895 -29.073 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.508 10.165 -30.649 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.063 13.654 -30.277 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.382 9.920 -31.855 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.653 11.664 -31.668 1.00 0.00 H new ATOM 1211 N ALA A 77 -6.299 9.810 -26.952 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.400 8.375 -26.715 1.00 0.00 C ATOM 1213 C ALA A 77 -7.336 7.716 -27.723 1.00 0.00 C ATOM 1214 O ALA A 77 -6.917 6.870 -28.512 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.878 8.107 -25.295 1.00 0.00 C ATOM 0 H ALA A 77 -7.166 10.325 -26.800 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.408 7.941 -26.842 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.949 7.032 -25.132 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.170 8.536 -24.586 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.858 8.561 -25.149 1.00 0.00 H new ATOM 1221 N ASP A 78 -8.605 8.110 -27.690 1.00 0.00 N ATOM 1222 CA ASP A 78 -9.600 7.558 -28.602 1.00 0.00 C ATOM 1223 C ASP A 78 -10.940 8.268 -28.437 1.00 0.00 C ATOM 1224 O ASP A 78 -11.172 8.957 -27.444 1.00 0.00 O ATOM 1225 CB ASP A 78 -9.770 6.058 -28.357 1.00 0.00 C ATOM 1226 CG ASP A 78 -10.366 5.757 -26.996 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -9.958 6.409 -26.012 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -11.242 4.871 -26.914 1.00 0.00 O ATOM 0 H ASP A 78 -8.968 8.809 -27.042 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.249 7.714 -29.622 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.410 5.637 -29.132 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.801 5.567 -28.443 1.00 0.00 H new ATOM 1233 N PHE A 79 -11.819 8.096 -29.419 1.00 0.00 N ATOM 1234 CA PHE A 79 -13.136 8.722 -29.385 1.00 0.00 C ATOM 1235 C PHE A 79 -14.207 7.764 -29.897 1.00 0.00 C ATOM 1236 O PHE A 79 -14.235 7.420 -31.079 1.00 0.00 O ATOM 1237 CB PHE A 79 -13.137 10.002 -30.223 1.00 0.00 C ATOM 1238 CG PHE A 79 -11.966 10.901 -29.947 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -10.719 10.620 -30.483 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -12.111 12.025 -29.151 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -9.639 11.445 -30.231 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -11.035 12.854 -28.896 1.00 0.00 C ATOM 1243 CZ PHE A 79 -9.797 12.563 -29.436 1.00 0.00 C ATOM 0 H PHE A 79 -11.643 7.528 -30.248 1.00 0.00 H new ATOM 0 HA PHE A 79 -13.365 8.974 -28.349 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.138 9.735 -31.280 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.059 10.551 -30.032 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -10.590 9.746 -31.105 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.076 12.256 -28.725 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.673 11.216 -30.655 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.162 13.729 -28.275 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.954 13.209 -29.237 1.00 0.00 H new ATOM 1253 N LYS A 80 -15.088 7.336 -28.999 1.00 0.00 N ATOM 1254 CA LYS A 80 -16.163 6.418 -29.358 1.00 0.00 C ATOM 1255 C LYS A 80 -17.149 6.258 -28.205 1.00 0.00 C ATOM 1256 O LYS A 80 -16.778 6.382 -27.038 1.00 0.00 O ATOM 1257 CB LYS A 80 -15.588 5.054 -29.745 1.00 0.00 C ATOM 1258 CG LYS A 80 -16.561 4.182 -30.520 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.512 4.478 -32.009 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.835 4.154 -32.686 1.00 0.00 C ATOM 1261 NZ LYS A 80 -18.062 2.686 -32.785 1.00 0.00 N ATOM 0 H LYS A 80 -15.079 7.610 -28.017 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.695 6.837 -30.212 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.690 5.204 -30.345 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.282 4.528 -28.841 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.325 3.132 -30.349 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.573 4.346 -30.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.271 5.530 -32.164 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.714 3.896 -32.471 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.651 4.611 -32.126 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.849 4.592 -33.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.974 2.506 -33.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.297 2.253 -33.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.074 2.271 -31.831 1.00 0.00 H new ATOM 1275 N GLN A 81 -18.404 5.979 -28.541 1.00 0.00 N ATOM 1276 CA GLN A 81 -19.442 5.801 -27.532 1.00 0.00 C ATOM 1277 C GLN A 81 -19.134 4.603 -26.640 1.00 0.00 C ATOM 1278 O GLN A 81 -18.497 3.643 -27.073 1.00 0.00 O ATOM 1279 CB GLN A 81 -20.806 5.617 -28.201 1.00 0.00 C ATOM 1280 CG GLN A 81 -21.214 6.786 -29.082 1.00 0.00 C ATOM 1281 CD GLN A 81 -22.682 6.747 -29.461 1.00 0.00 C ATOM 1282 OE1 GLN A 81 -23.028 6.608 -30.634 1.00 0.00 O ATOM 1283 NE2 GLN A 81 -23.553 6.870 -28.467 1.00 0.00 N ATOM 0 H GLN A 81 -18.727 5.871 -29.503 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.468 6.696 -26.911 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.786 4.709 -28.803 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.563 5.472 -27.430 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.002 7.720 -28.561 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.608 6.782 -29.988 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.221 6.983 -27.509 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.554 6.851 -28.661 1.00 0.00 H new ATOM 1292 N GLU A 82 -19.590 4.668 -25.393 1.00 0.00 N ATOM 1293 CA GLU A 82 -19.362 3.588 -24.440 1.00 0.00 C ATOM 1294 C GLU A 82 -20.548 3.439 -23.492 1.00 0.00 C ATOM 1295 O GLU A 82 -21.441 4.285 -23.460 1.00 0.00 O ATOM 1296 CB GLU A 82 -18.084 3.846 -23.639 1.00 0.00 C ATOM 1297 CG GLU A 82 -16.827 3.317 -24.310 1.00 0.00 C ATOM 1298 CD GLU A 82 -16.945 1.855 -24.697 1.00 0.00 C ATOM 1299 OE1 GLU A 82 -17.758 1.140 -24.076 1.00 0.00 O ATOM 1300 OE2 GLU A 82 -16.223 1.428 -25.622 1.00 0.00 O ATOM 0 H GLU A 82 -20.119 5.456 -25.019 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.249 2.661 -25.002 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.976 4.919 -23.479 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.182 3.385 -22.656 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.618 3.909 -25.201 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.979 3.444 -23.637 1.00 0.00 H new ATOM 1307 N SER A 83 -20.549 2.356 -22.720 1.00 0.00 N ATOM 1308 CA SER A 83 -21.627 2.093 -21.774 1.00 0.00 C ATOM 1309 C SER A 83 -21.082 1.479 -20.488 1.00 0.00 C ATOM 1310 O SER A 83 -19.891 1.193 -20.379 1.00 0.00 O ATOM 1311 CB SER A 83 -22.666 1.160 -22.398 1.00 0.00 C ATOM 1312 OG SER A 83 -22.064 -0.038 -22.858 1.00 0.00 O ATOM 0 H SER A 83 -19.816 1.647 -22.731 1.00 0.00 H new ATOM 0 HA SER A 83 -22.103 3.043 -21.530 1.00 0.00 H new ATOM 0 HB2 SER A 83 -23.436 0.925 -21.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.161 1.664 -23.228 1.00 0.00 H new ATOM 0 HG SER A 83 -22.749 -0.618 -23.251 1.00 0.00 H new ATOM 1318 N GLY A 84 -21.966 1.279 -19.514 1.00 0.00 N ATOM 1319 CA GLY A 84 -21.557 0.700 -18.248 1.00 0.00 C ATOM 1320 C GLY A 84 -22.725 0.139 -17.462 1.00 0.00 C ATOM 1321 O GLY A 84 -23.835 0.670 -17.496 1.00 0.00 O ATOM 0 H GLY A 84 -22.958 1.508 -19.580 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -20.833 -0.093 -18.432 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.053 1.460 -17.651 1.00 0.00 H new ATOM 1325 N PRO A 85 -22.481 -0.961 -16.736 1.00 0.00 N ATOM 1326 CA PRO A 85 -23.510 -1.620 -15.925 1.00 0.00 C ATOM 1327 C PRO A 85 -23.911 -0.788 -14.711 1.00 0.00 C ATOM 1328 O PRO A 85 -23.487 0.358 -14.565 1.00 0.00 O ATOM 1329 CB PRO A 85 -22.835 -2.920 -15.483 1.00 0.00 C ATOM 1330 CG PRO A 85 -21.376 -2.621 -15.519 1.00 0.00 C ATOM 1331 CD PRO A 85 -21.181 -1.648 -16.649 1.00 0.00 C ATOM 0 HA PRO A 85 -24.434 -1.772 -16.483 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -23.155 -3.212 -14.483 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.087 -3.744 -16.151 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -21.042 -2.193 -14.574 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -20.795 -3.529 -15.681 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -20.370 -0.949 -16.442 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -20.933 -2.158 -17.580 1.00 0.00 H new ATOM 1339 N SER A 86 -24.730 -1.374 -13.844 1.00 0.00 N ATOM 1340 CA SER A 86 -25.192 -0.685 -12.644 1.00 0.00 C ATOM 1341 C SER A 86 -24.372 -1.104 -11.428 1.00 0.00 C ATOM 1342 O SER A 86 -23.582 -2.047 -11.493 1.00 0.00 O ATOM 1343 CB SER A 86 -26.673 -0.978 -12.400 1.00 0.00 C ATOM 1344 OG SER A 86 -27.464 -0.554 -13.497 1.00 0.00 O ATOM 0 H SER A 86 -25.087 -2.324 -13.949 1.00 0.00 H new ATOM 0 HA SER A 86 -25.062 0.386 -12.797 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.814 -2.047 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 86 -27.003 -0.472 -11.493 1.00 0.00 H new ATOM 0 HG SER A 86 -28.406 -0.754 -13.317 1.00 0.00 H new ATOM 1350 N SER A 87 -24.565 -0.397 -10.319 1.00 0.00 N ATOM 1351 CA SER A 87 -23.841 -0.692 -9.088 1.00 0.00 C ATOM 1352 C SER A 87 -24.326 -2.003 -8.474 1.00 0.00 C ATOM 1353 O SER A 87 -23.548 -2.937 -8.285 1.00 0.00 O ATOM 1354 CB SER A 87 -24.014 0.449 -8.084 1.00 0.00 C ATOM 1355 OG SER A 87 -23.464 1.655 -8.584 1.00 0.00 O ATOM 0 H SER A 87 -25.217 0.384 -10.248 1.00 0.00 H new ATOM 0 HA SER A 87 -22.784 -0.794 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 87 -25.073 0.590 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 87 -23.529 0.187 -7.144 1.00 0.00 H new ATOM 0 HG SER A 87 -23.589 2.369 -7.925 1.00 0.00 H new ATOM 1361 N GLY A 88 -25.617 -2.062 -8.164 1.00 0.00 N ATOM 1362 CA GLY A 88 -26.184 -3.261 -7.575 1.00 0.00 C ATOM 1363 C GLY A 88 -26.188 -3.216 -6.060 1.00 0.00 C ATOM 1364 O GLY A 88 -27.080 -2.598 -5.481 1.00 0.00 O ATOM 0 H GLY A 88 -26.280 -1.301 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -27.205 -3.391 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -25.616 -4.130 -7.908 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 2.214 -5.236 3.960 1.00 0.00 ZN