USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 736 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 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 47 TYR OH : rot 128:sc= 0.0734 USER MOD Set 1.2: A 59 GLN : amide:sc= 0.498 X(o=0.57,f=0.073) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.117 X(o=0.24,f=-0.012) USER MOD Set 2.2: A 46 CYS SG : rot 114:sc= 0.12 USER MOD Set 3.1: A 35 ASN : amide:sc= -5.97! C(o=-14!,f=-11!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= -8.2! C(o=-14!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.108 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.00551 K(o=0.0055,f=-0.53) USER MOD Single : A 14 SER OG : rot 32:sc= 1.17 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -0.0937 (180deg=-0.495) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.0328 (180deg=-0.273) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.907 USER MOD Single : A 55 TYR OH : rot 180:sc= 0.128 USER MOD Single : A 64 SER OG : rot 95:sc= 0.0599 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.59 K(o=-2.6,f=-3.4!) USER MOD Single : A 81 LYS NZ :NH3+ -164:sc=-0.00547 (180deg=-0.142) USER MOD Single : A 84 SER OG : rot 41:sc= 1.06 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 38:sc= 0.0924 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.619 35.495 -64.374 1.00 0.00 N ATOM 2 CA GLY A 1 38.511 34.628 -63.627 1.00 0.00 C ATOM 3 C GLY A 1 38.316 34.748 -62.128 1.00 0.00 C ATOM 4 O GLY A 1 38.373 35.845 -61.574 1.00 0.00 O ATOM 0 H1 GLY A 1 37.792 35.376 -65.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.632 35.246 -64.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.793 36.485 -64.107 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.346 33.594 -63.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.544 34.872 -63.877 1.00 0.00 H new ATOM 8 N SER A 2 38.083 33.616 -61.471 1.00 0.00 N ATOM 9 CA SER A 2 37.872 33.600 -60.028 1.00 0.00 C ATOM 10 C SER A 2 38.015 32.185 -59.474 1.00 0.00 C ATOM 11 O SER A 2 38.014 31.210 -60.225 1.00 0.00 O ATOM 12 CB SER A 2 36.489 34.156 -59.687 1.00 0.00 C ATOM 13 OG SER A 2 36.304 34.239 -58.284 1.00 0.00 O ATOM 0 H SER A 2 38.036 32.699 -61.915 1.00 0.00 H new ATOM 0 HA SER A 2 38.632 34.231 -59.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.371 35.144 -60.132 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.720 33.517 -60.121 1.00 0.00 H new ATOM 0 HG SER A 2 35.413 34.599 -58.092 1.00 0.00 H new ATOM 19 N SER A 3 38.139 32.083 -58.155 1.00 0.00 N ATOM 20 CA SER A 3 38.287 30.789 -57.499 1.00 0.00 C ATOM 21 C SER A 3 37.329 30.665 -56.319 1.00 0.00 C ATOM 22 O SER A 3 36.681 29.636 -56.136 1.00 0.00 O ATOM 23 CB SER A 3 39.728 30.597 -57.023 1.00 0.00 C ATOM 24 OG SER A 3 40.528 30.014 -58.037 1.00 0.00 O ATOM 0 H SER A 3 38.140 32.881 -57.519 1.00 0.00 H new ATOM 0 HA SER A 3 38.045 30.012 -58.224 1.00 0.00 H new ATOM 0 HB2 SER A 3 40.149 31.559 -56.732 1.00 0.00 H new ATOM 0 HB3 SER A 3 39.740 29.963 -56.137 1.00 0.00 H new ATOM 0 HG SER A 3 41.444 29.904 -57.708 1.00 0.00 H new ATOM 30 N GLY A 4 37.244 31.725 -55.519 1.00 0.00 N ATOM 31 CA GLY A 4 36.363 31.715 -54.366 1.00 0.00 C ATOM 32 C GLY A 4 37.118 31.572 -53.060 1.00 0.00 C ATOM 33 O GLY A 4 38.226 32.091 -52.916 1.00 0.00 O ATOM 0 H GLY A 4 37.769 32.589 -55.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 35.783 32.638 -54.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 35.652 30.894 -54.463 1.00 0.00 H new ATOM 37 N SER A 5 36.519 30.869 -52.105 1.00 0.00 N ATOM 38 CA SER A 5 37.140 30.664 -50.802 1.00 0.00 C ATOM 39 C SER A 5 36.329 29.681 -49.962 1.00 0.00 C ATOM 40 O SER A 5 35.113 29.574 -50.114 1.00 0.00 O ATOM 41 CB SER A 5 37.274 31.996 -50.062 1.00 0.00 C ATOM 42 OG SER A 5 36.003 32.579 -49.828 1.00 0.00 O ATOM 0 H SER A 5 35.604 30.431 -52.209 1.00 0.00 H new ATOM 0 HA SER A 5 38.133 30.244 -50.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 37.786 31.838 -49.113 1.00 0.00 H new ATOM 0 HB3 SER A 5 37.890 32.680 -50.646 1.00 0.00 H new ATOM 0 HG SER A 5 36.115 33.428 -49.352 1.00 0.00 H new ATOM 48 N SER A 6 37.014 28.966 -49.075 1.00 0.00 N ATOM 49 CA SER A 6 36.359 27.989 -48.213 1.00 0.00 C ATOM 50 C SER A 6 36.781 28.179 -46.759 1.00 0.00 C ATOM 51 O SER A 6 37.943 28.458 -46.470 1.00 0.00 O ATOM 52 CB SER A 6 36.693 26.568 -48.672 1.00 0.00 C ATOM 53 OG SER A 6 36.004 26.243 -49.867 1.00 0.00 O ATOM 0 H SER A 6 38.021 29.045 -48.935 1.00 0.00 H new ATOM 0 HA SER A 6 35.282 28.142 -48.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 37.767 26.477 -48.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 36.426 25.858 -47.890 1.00 0.00 H new ATOM 0 HG SER A 6 36.236 25.331 -50.140 1.00 0.00 H new ATOM 59 N GLY A 7 35.826 28.024 -45.847 1.00 0.00 N ATOM 60 CA GLY A 7 36.116 28.182 -44.434 1.00 0.00 C ATOM 61 C GLY A 7 35.891 26.905 -43.650 1.00 0.00 C ATOM 62 O GLY A 7 36.131 25.807 -44.154 1.00 0.00 O ATOM 0 H GLY A 7 34.856 27.792 -46.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 37.151 28.502 -44.312 1.00 0.00 H new ATOM 0 HA3 GLY A 7 35.488 28.972 -44.023 1.00 0.00 H new ATOM 66 N LEU A 8 35.430 27.046 -42.412 1.00 0.00 N ATOM 67 CA LEU A 8 35.174 25.894 -41.554 1.00 0.00 C ATOM 68 C LEU A 8 33.769 25.956 -40.965 1.00 0.00 C ATOM 69 O LEU A 8 33.292 27.025 -40.583 1.00 0.00 O ATOM 70 CB LEU A 8 36.209 25.830 -40.430 1.00 0.00 C ATOM 71 CG LEU A 8 37.604 25.346 -40.828 1.00 0.00 C ATOM 72 CD1 LEU A 8 38.440 26.503 -41.353 1.00 0.00 C ATOM 73 CD2 LEU A 8 38.294 24.680 -39.647 1.00 0.00 C ATOM 0 H LEU A 8 35.226 27.947 -41.980 1.00 0.00 H new ATOM 0 HA LEU A 8 35.253 24.994 -42.163 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.302 26.824 -39.992 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.827 25.172 -39.649 1.00 0.00 H new ATOM 0 HG LEU A 8 37.499 24.609 -41.624 1.00 0.00 H new ATOM 0 HD11 LEU A 8 39.429 26.140 -41.631 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.953 26.936 -42.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 38.537 27.263 -40.578 1.00 0.00 H new ATOM 0 HD21 LEU A 8 39.285 24.342 -39.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 38.387 25.395 -38.830 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.704 23.825 -39.316 1.00 0.00 H new ATOM 85 N GLU A 9 33.112 24.803 -40.892 1.00 0.00 N ATOM 86 CA GLU A 9 31.761 24.727 -40.347 1.00 0.00 C ATOM 87 C GLU A 9 31.411 23.293 -39.959 1.00 0.00 C ATOM 88 O GLU A 9 31.485 22.382 -40.782 1.00 0.00 O ATOM 89 CB GLU A 9 30.747 25.254 -41.364 1.00 0.00 C ATOM 90 CG GLU A 9 30.543 26.758 -41.297 1.00 0.00 C ATOM 91 CD GLU A 9 30.415 27.267 -39.874 1.00 0.00 C ATOM 92 OE1 GLU A 9 29.384 26.980 -39.232 1.00 0.00 O ATOM 93 OE2 GLU A 9 31.348 27.952 -39.404 1.00 0.00 O ATOM 0 H GLU A 9 33.493 23.909 -41.203 1.00 0.00 H new ATOM 0 HA GLU A 9 31.722 25.347 -39.451 1.00 0.00 H new ATOM 0 HB2 GLU A 9 31.078 24.985 -42.367 1.00 0.00 H new ATOM 0 HB3 GLU A 9 29.790 24.758 -41.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 31.382 27.257 -41.783 1.00 0.00 H new ATOM 0 HG3 GLU A 9 29.646 27.024 -41.856 1.00 0.00 H new ATOM 100 N GLU A 10 31.030 23.104 -38.700 1.00 0.00 N ATOM 101 CA GLU A 10 30.669 21.781 -38.202 1.00 0.00 C ATOM 102 C GLU A 10 29.626 21.882 -37.094 1.00 0.00 C ATOM 103 O GLU A 10 29.685 22.777 -36.249 1.00 0.00 O ATOM 104 CB GLU A 10 31.910 21.051 -37.684 1.00 0.00 C ATOM 105 CG GLU A 10 32.894 20.671 -38.778 1.00 0.00 C ATOM 106 CD GLU A 10 32.291 19.732 -39.805 1.00 0.00 C ATOM 107 OE1 GLU A 10 31.510 18.842 -39.409 1.00 0.00 O ATOM 108 OE2 GLU A 10 32.601 19.888 -41.004 1.00 0.00 O ATOM 0 H GLU A 10 30.963 23.849 -38.006 1.00 0.00 H new ATOM 0 HA GLU A 10 30.241 21.214 -39.029 1.00 0.00 H new ATOM 0 HB2 GLU A 10 32.416 21.685 -36.956 1.00 0.00 H new ATOM 0 HB3 GLU A 10 31.597 20.149 -37.159 1.00 0.00 H new ATOM 0 HG2 GLU A 10 33.242 21.575 -39.278 1.00 0.00 H new ATOM 0 HG3 GLU A 10 33.767 20.199 -38.328 1.00 0.00 H new ATOM 115 N PHE A 11 28.669 20.960 -37.103 1.00 0.00 N ATOM 116 CA PHE A 11 27.611 20.945 -36.100 1.00 0.00 C ATOM 117 C PHE A 11 27.706 19.698 -35.227 1.00 0.00 C ATOM 118 O PHE A 11 28.149 18.642 -35.679 1.00 0.00 O ATOM 119 CB PHE A 11 26.239 21.006 -36.775 1.00 0.00 C ATOM 120 CG PHE A 11 25.665 19.653 -37.089 1.00 0.00 C ATOM 121 CD1 PHE A 11 26.297 18.810 -37.987 1.00 0.00 C ATOM 122 CD2 PHE A 11 24.493 19.227 -36.485 1.00 0.00 C ATOM 123 CE1 PHE A 11 25.772 17.564 -38.278 1.00 0.00 C ATOM 124 CE2 PHE A 11 23.964 17.983 -36.771 1.00 0.00 C ATOM 125 CZ PHE A 11 24.603 17.151 -37.670 1.00 0.00 C ATOM 0 H PHE A 11 28.605 20.213 -37.794 1.00 0.00 H new ATOM 0 HA PHE A 11 27.735 21.822 -35.464 1.00 0.00 H new ATOM 0 HB2 PHE A 11 25.547 21.544 -36.126 1.00 0.00 H new ATOM 0 HB3 PHE A 11 26.322 21.580 -37.698 1.00 0.00 H new ATOM 0 HD1 PHE A 11 27.211 19.129 -38.466 1.00 0.00 H new ATOM 0 HD2 PHE A 11 23.988 19.874 -35.783 1.00 0.00 H new ATOM 0 HE1 PHE A 11 26.275 16.915 -38.979 1.00 0.00 H new ATOM 0 HE2 PHE A 11 23.051 17.661 -36.292 1.00 0.00 H new ATOM 0 HZ PHE A 11 24.189 16.180 -37.897 1.00 0.00 H new ATOM 135 N LYS A 12 27.288 19.828 -33.973 1.00 0.00 N ATOM 136 CA LYS A 12 27.324 18.712 -33.034 1.00 0.00 C ATOM 137 C LYS A 12 26.263 18.878 -31.950 1.00 0.00 C ATOM 138 O LYS A 12 25.829 19.992 -31.659 1.00 0.00 O ATOM 139 CB LYS A 12 28.710 18.603 -32.393 1.00 0.00 C ATOM 140 CG LYS A 12 29.099 17.182 -32.024 1.00 0.00 C ATOM 141 CD LYS A 12 30.315 17.156 -31.114 1.00 0.00 C ATOM 142 CE LYS A 12 30.749 15.731 -30.805 1.00 0.00 C ATOM 143 NZ LYS A 12 31.646 15.670 -29.618 1.00 0.00 N ATOM 0 H LYS A 12 26.920 20.695 -33.583 1.00 0.00 H new ATOM 0 HA LYS A 12 27.113 17.797 -33.587 1.00 0.00 H new ATOM 0 HB2 LYS A 12 29.452 19.007 -33.081 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.736 19.222 -31.497 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.261 16.692 -31.528 1.00 0.00 H new ATOM 0 HG3 LYS A 12 29.309 16.614 -32.930 1.00 0.00 H new ATOM 0 HD2 LYS A 12 31.137 17.693 -31.587 1.00 0.00 H new ATOM 0 HD3 LYS A 12 30.087 17.678 -30.185 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.869 15.114 -30.627 1.00 0.00 H new ATOM 0 HE3 LYS A 12 31.263 15.312 -31.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 31.920 14.683 -29.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 32.498 16.239 -29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 31.147 16.046 -28.786 1.00 0.00 H new ATOM 157 N ASN A 13 25.852 17.763 -31.356 1.00 0.00 N ATOM 158 CA ASN A 13 24.842 17.786 -30.304 1.00 0.00 C ATOM 159 C ASN A 13 25.475 18.094 -28.950 1.00 0.00 C ATOM 160 O ASN A 13 26.697 18.170 -28.827 1.00 0.00 O ATOM 161 CB ASN A 13 24.109 16.444 -30.243 1.00 0.00 C ATOM 162 CG ASN A 13 23.713 15.939 -31.617 1.00 0.00 C ATOM 163 OD1 ASN A 13 24.526 15.355 -32.333 1.00 0.00 O ATOM 164 ND2 ASN A 13 22.458 16.162 -31.990 1.00 0.00 N ATOM 0 H ASN A 13 26.202 16.833 -31.585 1.00 0.00 H new ATOM 0 HA ASN A 13 24.126 18.573 -30.539 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.748 15.706 -29.758 1.00 0.00 H new ATOM 0 HB3 ASN A 13 23.217 16.548 -29.626 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.133 15.845 -32.903 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.819 16.651 -31.363 1.00 0.00 H new ATOM 171 N SER A 14 24.633 18.271 -27.936 1.00 0.00 N ATOM 172 CA SER A 14 25.109 18.574 -26.592 1.00 0.00 C ATOM 173 C SER A 14 23.995 18.389 -25.566 1.00 0.00 C ATOM 174 O SER A 14 22.852 18.783 -25.797 1.00 0.00 O ATOM 175 CB SER A 14 25.643 20.006 -26.528 1.00 0.00 C ATOM 176 OG SER A 14 27.000 20.063 -26.933 1.00 0.00 O ATOM 0 H SER A 14 23.618 18.210 -28.020 1.00 0.00 H new ATOM 0 HA SER A 14 25.916 17.881 -26.355 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.042 20.651 -27.169 1.00 0.00 H new ATOM 0 HB3 SER A 14 25.547 20.388 -25.512 1.00 0.00 H new ATOM 0 HG SER A 14 27.167 19.378 -27.614 1.00 0.00 H new ATOM 182 N SER A 15 24.337 17.786 -24.432 1.00 0.00 N ATOM 183 CA SER A 15 23.366 17.544 -23.372 1.00 0.00 C ATOM 184 C SER A 15 24.045 16.965 -22.135 1.00 0.00 C ATOM 185 O SER A 15 25.089 16.319 -22.230 1.00 0.00 O ATOM 186 CB SER A 15 22.272 16.592 -23.860 1.00 0.00 C ATOM 187 OG SER A 15 21.076 16.767 -23.120 1.00 0.00 O ATOM 0 H SER A 15 25.279 17.456 -24.224 1.00 0.00 H new ATOM 0 HA SER A 15 22.913 18.499 -23.104 1.00 0.00 H new ATOM 0 HB2 SER A 15 22.078 16.768 -24.918 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.614 15.561 -23.766 1.00 0.00 H new ATOM 0 HG SER A 15 20.392 16.149 -23.452 1.00 0.00 H new ATOM 193 N LYS A 16 23.444 17.200 -20.973 1.00 0.00 N ATOM 194 CA LYS A 16 23.988 16.701 -19.715 1.00 0.00 C ATOM 195 C LYS A 16 23.005 15.755 -19.034 1.00 0.00 C ATOM 196 O LYS A 16 22.151 16.184 -18.257 1.00 0.00 O ATOM 197 CB LYS A 16 24.320 17.868 -18.781 1.00 0.00 C ATOM 198 CG LYS A 16 25.652 18.531 -19.085 1.00 0.00 C ATOM 199 CD LYS A 16 26.820 17.630 -18.717 1.00 0.00 C ATOM 200 CE LYS A 16 28.048 18.441 -18.331 1.00 0.00 C ATOM 201 NZ LYS A 16 29.112 17.585 -17.736 1.00 0.00 N ATOM 0 H LYS A 16 22.580 17.733 -20.876 1.00 0.00 H new ATOM 0 HA LYS A 16 24.901 16.149 -19.936 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.528 18.614 -18.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 24.330 17.508 -17.752 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.703 18.779 -20.145 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.727 19.469 -18.534 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.535 16.983 -17.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.061 16.982 -19.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.440 18.948 -19.212 1.00 0.00 H new ATOM 0 HE3 LYS A 16 27.763 19.215 -17.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.932 18.174 -17.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.746 17.120 -16.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 29.402 16.862 -18.425 1.00 0.00 H new ATOM 215 N LEU A 17 23.130 14.466 -19.330 1.00 0.00 N ATOM 216 CA LEU A 17 22.253 13.458 -18.744 1.00 0.00 C ATOM 217 C LEU A 17 22.833 12.924 -17.438 1.00 0.00 C ATOM 218 O LEU A 17 23.315 11.793 -17.378 1.00 0.00 O ATOM 219 CB LEU A 17 22.039 12.307 -19.729 1.00 0.00 C ATOM 220 CG LEU A 17 21.242 12.642 -20.990 1.00 0.00 C ATOM 221 CD1 LEU A 17 22.150 13.249 -22.049 1.00 0.00 C ATOM 222 CD2 LEU A 17 20.548 11.399 -21.529 1.00 0.00 C ATOM 0 H LEU A 17 23.830 14.094 -19.972 1.00 0.00 H new ATOM 0 HA LEU A 17 21.293 13.927 -18.528 1.00 0.00 H new ATOM 0 HB2 LEU A 17 23.015 11.927 -20.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.530 11.498 -19.206 1.00 0.00 H new ATOM 0 HG LEU A 17 20.479 13.376 -20.730 1.00 0.00 H new ATOM 0 HD11 LEU A 17 21.566 13.481 -22.939 1.00 0.00 H new ATOM 0 HD12 LEU A 17 22.600 14.163 -21.662 1.00 0.00 H new ATOM 0 HD13 LEU A 17 22.936 12.538 -22.306 1.00 0.00 H new ATOM 0 HD21 LEU A 17 19.986 11.657 -22.426 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.294 10.643 -21.773 1.00 0.00 H new ATOM 0 HD23 LEU A 17 19.867 11.006 -20.774 1.00 0.00 H new ATOM 234 N VAL A 18 22.780 13.745 -16.394 1.00 0.00 N ATOM 235 CA VAL A 18 23.296 13.354 -15.088 1.00 0.00 C ATOM 236 C VAL A 18 22.268 13.608 -13.992 1.00 0.00 C ATOM 237 O VAL A 18 21.691 14.692 -13.907 1.00 0.00 O ATOM 238 CB VAL A 18 24.592 14.113 -14.747 1.00 0.00 C ATOM 239 CG1 VAL A 18 25.687 13.778 -15.748 1.00 0.00 C ATOM 240 CG2 VAL A 18 24.336 15.612 -14.706 1.00 0.00 C ATOM 0 H VAL A 18 22.385 14.685 -16.427 1.00 0.00 H new ATOM 0 HA VAL A 18 23.511 12.287 -15.139 1.00 0.00 H new ATOM 0 HB VAL A 18 24.928 13.798 -13.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 26.595 14.324 -15.491 1.00 0.00 H new ATOM 0 HG12 VAL A 18 25.888 12.707 -15.723 1.00 0.00 H new ATOM 0 HG13 VAL A 18 25.364 14.063 -16.749 1.00 0.00 H new ATOM 0 HG21 VAL A 18 25.262 16.133 -14.464 1.00 0.00 H new ATOM 0 HG22 VAL A 18 23.976 15.946 -15.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 23.586 15.832 -13.946 1.00 0.00 H new ATOM 250 N ALA A 19 22.044 12.602 -13.153 1.00 0.00 N ATOM 251 CA ALA A 19 21.086 12.717 -12.060 1.00 0.00 C ATOM 252 C ALA A 19 21.665 12.162 -10.763 1.00 0.00 C ATOM 253 O ALA A 19 22.674 11.458 -10.774 1.00 0.00 O ATOM 254 CB ALA A 19 19.793 11.998 -12.413 1.00 0.00 C ATOM 0 H ALA A 19 22.513 11.698 -13.209 1.00 0.00 H new ATOM 0 HA ALA A 19 20.870 13.775 -11.908 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.087 12.092 -11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.363 12.442 -13.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.001 10.943 -12.594 1.00 0.00 H new ATOM 260 N ALA A 20 21.020 12.485 -9.647 1.00 0.00 N ATOM 261 CA ALA A 20 21.470 12.018 -8.342 1.00 0.00 C ATOM 262 C ALA A 20 20.296 11.531 -7.498 1.00 0.00 C ATOM 263 O ALA A 20 19.139 11.661 -7.895 1.00 0.00 O ATOM 264 CB ALA A 20 22.222 13.123 -7.615 1.00 0.00 C ATOM 0 H ALA A 20 20.184 13.069 -9.621 1.00 0.00 H new ATOM 0 HA ALA A 20 22.145 11.177 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 20 22.552 12.759 -6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.089 13.421 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.564 13.981 -7.478 1.00 0.00 H new ATOM 270 N ALA A 21 20.604 10.970 -6.333 1.00 0.00 N ATOM 271 CA ALA A 21 19.574 10.465 -5.433 1.00 0.00 C ATOM 272 C ALA A 21 19.766 11.006 -4.021 1.00 0.00 C ATOM 273 O ALA A 21 20.797 10.771 -3.392 1.00 0.00 O ATOM 274 CB ALA A 21 19.582 8.943 -5.423 1.00 0.00 C ATOM 0 H ALA A 21 21.558 10.854 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 21 18.606 10.810 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.808 8.580 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.388 8.572 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.555 8.586 -5.086 1.00 0.00 H new ATOM 280 N GLU A 22 18.767 11.733 -3.530 1.00 0.00 N ATOM 281 CA GLU A 22 18.828 12.308 -2.191 1.00 0.00 C ATOM 282 C GLU A 22 17.434 12.685 -1.697 1.00 0.00 C ATOM 283 O GLU A 22 16.654 13.309 -2.418 1.00 0.00 O ATOM 284 CB GLU A 22 19.735 13.541 -2.183 1.00 0.00 C ATOM 285 CG GLU A 22 19.206 14.691 -3.024 1.00 0.00 C ATOM 286 CD GLU A 22 19.182 14.368 -4.505 1.00 0.00 C ATOM 287 OE1 GLU A 22 20.256 14.425 -5.141 1.00 0.00 O ATOM 288 OE2 GLU A 22 18.092 14.059 -5.028 1.00 0.00 O ATOM 0 H GLU A 22 17.907 11.938 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 22 19.242 11.557 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.862 13.882 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.722 13.258 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.198 14.943 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.826 15.572 -2.858 1.00 0.00 H new ATOM 295 N LYS A 23 17.127 12.303 -0.462 1.00 0.00 N ATOM 296 CA LYS A 23 15.829 12.600 0.131 1.00 0.00 C ATOM 297 C LYS A 23 15.966 12.897 1.621 1.00 0.00 C ATOM 298 O LYS A 23 16.923 12.465 2.262 1.00 0.00 O ATOM 299 CB LYS A 23 14.868 11.427 -0.080 1.00 0.00 C ATOM 300 CG LYS A 23 14.126 11.479 -1.404 1.00 0.00 C ATOM 301 CD LYS A 23 14.885 10.746 -2.497 1.00 0.00 C ATOM 302 CE LYS A 23 14.206 10.905 -3.849 1.00 0.00 C ATOM 303 NZ LYS A 23 13.211 9.827 -4.101 1.00 0.00 N ATOM 0 H LYS A 23 17.760 11.786 0.148 1.00 0.00 H new ATOM 0 HA LYS A 23 15.427 13.485 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.429 10.494 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.142 11.412 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.137 11.035 -1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.976 12.518 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.904 11.128 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.955 9.688 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.710 11.875 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.959 10.895 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.771 9.972 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.688 8.903 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.478 9.852 -3.364 1.00 0.00 H new ATOM 317 N GLU A 24 15.003 13.635 2.164 1.00 0.00 N ATOM 318 CA GLU A 24 15.018 13.988 3.578 1.00 0.00 C ATOM 319 C GLU A 24 13.598 14.112 4.123 1.00 0.00 C ATOM 320 O GLU A 24 12.681 14.519 3.410 1.00 0.00 O ATOM 321 CB GLU A 24 15.774 15.302 3.791 1.00 0.00 C ATOM 322 CG GLU A 24 15.184 16.474 3.025 1.00 0.00 C ATOM 323 CD GLU A 24 15.771 17.805 3.453 1.00 0.00 C ATOM 324 OE1 GLU A 24 16.987 18.010 3.253 1.00 0.00 O ATOM 325 OE2 GLU A 24 15.014 18.643 3.987 1.00 0.00 O ATOM 0 H GLU A 24 14.203 14.000 1.646 1.00 0.00 H new ATOM 0 HA GLU A 24 15.529 13.191 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.780 15.540 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.813 15.167 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.358 16.331 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.104 16.493 3.172 1.00 0.00 H new ATOM 332 N ARG A 25 13.425 13.757 5.392 1.00 0.00 N ATOM 333 CA ARG A 25 12.117 13.825 6.033 1.00 0.00 C ATOM 334 C ARG A 25 11.599 15.260 6.058 1.00 0.00 C ATOM 335 O ARG A 25 11.978 16.054 6.920 1.00 0.00 O ATOM 336 CB ARG A 25 12.194 13.275 7.458 1.00 0.00 C ATOM 337 CG ARG A 25 10.894 12.656 7.944 1.00 0.00 C ATOM 338 CD ARG A 25 10.751 11.218 7.471 1.00 0.00 C ATOM 339 NE ARG A 25 11.824 10.366 7.977 1.00 0.00 N ATOM 340 CZ ARG A 25 12.955 10.140 7.318 1.00 0.00 C ATOM 341 NH1 ARG A 25 13.159 10.699 6.133 1.00 0.00 N ATOM 342 NH2 ARG A 25 13.885 9.353 7.844 1.00 0.00 N ATOM 0 H ARG A 25 14.174 13.419 5.997 1.00 0.00 H new ATOM 0 HA ARG A 25 11.424 13.216 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.984 12.525 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 25 12.478 14.081 8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.860 12.687 9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.051 13.245 7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.789 10.823 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.752 11.193 6.381 1.00 0.00 H new ATOM 0 HE ARG A 25 11.698 9.920 8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.446 11.304 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.028 10.524 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.732 8.921 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.753 9.180 7.337 1.00 0.00 H new ATOM 356 N LEU A 26 10.731 15.587 5.107 1.00 0.00 N ATOM 357 CA LEU A 26 10.160 16.926 5.019 1.00 0.00 C ATOM 358 C LEU A 26 8.642 16.882 5.154 1.00 0.00 C ATOM 359 O LEU A 26 7.922 17.543 4.406 1.00 0.00 O ATOM 360 CB LEU A 26 10.546 17.580 3.691 1.00 0.00 C ATOM 361 CG LEU A 26 10.328 16.732 2.437 1.00 0.00 C ATOM 362 CD1 LEU A 26 8.874 16.799 1.994 1.00 0.00 C ATOM 363 CD2 LEU A 26 11.250 17.189 1.317 1.00 0.00 C ATOM 0 H LEU A 26 10.407 14.943 4.386 1.00 0.00 H new ATOM 0 HA LEU A 26 10.562 17.519 5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.976 18.503 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.599 17.859 3.739 1.00 0.00 H new ATOM 0 HG LEU A 26 10.567 15.696 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.737 16.190 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.233 16.423 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.608 17.833 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.081 16.574 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.043 18.232 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.287 17.088 1.636 1.00 0.00 H new ATOM 375 N ASP A 27 8.162 16.100 6.115 1.00 0.00 N ATOM 376 CA ASP A 27 6.728 15.971 6.352 1.00 0.00 C ATOM 377 C ASP A 27 6.452 15.517 7.782 1.00 0.00 C ATOM 378 O ASP A 27 7.060 14.564 8.270 1.00 0.00 O ATOM 379 CB ASP A 27 6.113 14.981 5.361 1.00 0.00 C ATOM 380 CG ASP A 27 4.598 15.036 5.353 1.00 0.00 C ATOM 381 OD1 ASP A 27 3.981 14.532 6.315 1.00 0.00 O ATOM 382 OD2 ASP A 27 4.030 15.584 4.386 1.00 0.00 O ATOM 0 H ASP A 27 8.745 15.546 6.743 1.00 0.00 H new ATOM 0 HA ASP A 27 6.271 16.950 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.487 15.194 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.436 13.971 5.613 1.00 0.00 H new ATOM 387 N LYS A 28 5.532 16.205 8.448 1.00 0.00 N ATOM 388 CA LYS A 28 5.174 15.874 9.822 1.00 0.00 C ATOM 389 C LYS A 28 4.712 14.424 9.930 1.00 0.00 C ATOM 390 O LYS A 28 5.041 13.726 10.889 1.00 0.00 O ATOM 391 CB LYS A 28 4.073 16.810 10.324 1.00 0.00 C ATOM 392 CG LYS A 28 4.109 17.042 11.825 1.00 0.00 C ATOM 393 CD LYS A 28 3.361 15.954 12.576 1.00 0.00 C ATOM 394 CE LYS A 28 3.679 15.983 14.063 1.00 0.00 C ATOM 395 NZ LYS A 28 5.116 15.695 14.329 1.00 0.00 N ATOM 0 H LYS A 28 5.020 16.996 8.058 1.00 0.00 H new ATOM 0 HA LYS A 28 6.061 16.001 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.163 17.769 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.103 16.394 10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.144 17.073 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.669 18.012 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.288 16.081 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.625 14.980 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.423 16.961 14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.060 15.251 14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.193 14.933 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.580 15.400 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.580 16.551 14.694 1.00 0.00 H new ATOM 409 N HIS A 29 3.947 13.977 8.938 1.00 0.00 N ATOM 410 CA HIS A 29 3.442 12.609 8.920 1.00 0.00 C ATOM 411 C HIS A 29 4.585 11.608 8.788 1.00 0.00 C ATOM 412 O HIS A 29 5.006 11.273 7.679 1.00 0.00 O ATOM 413 CB HIS A 29 2.451 12.424 7.771 1.00 0.00 C ATOM 414 CG HIS A 29 1.724 11.115 7.810 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.899 10.744 8.850 1.00 0.00 N ATOM 416 CD2 HIS A 29 1.702 10.088 6.929 1.00 0.00 C ATOM 417 CE1 HIS A 29 0.401 9.544 8.608 1.00 0.00 C ATOM 418 NE2 HIS A 29 0.873 9.124 7.448 1.00 0.00 N ATOM 0 H HIS A 29 3.664 14.542 8.137 1.00 0.00 H new ATOM 0 HA HIS A 29 2.930 12.425 9.865 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.723 13.235 7.796 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.986 12.505 6.825 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.703 11.308 9.677 1.00 0.00 H new ATOM 0 HD2 HIS A 29 2.237 10.036 5.992 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.276 9.000 9.249 1.00 0.00 H new ATOM 426 N LEU A 30 5.085 11.135 9.924 1.00 0.00 N ATOM 427 CA LEU A 30 6.182 10.172 9.935 1.00 0.00 C ATOM 428 C LEU A 30 5.651 8.742 9.930 1.00 0.00 C ATOM 429 O LEU A 30 6.174 7.877 9.229 1.00 0.00 O ATOM 430 CB LEU A 30 7.070 10.395 11.160 1.00 0.00 C ATOM 431 CG LEU A 30 7.693 11.785 11.293 1.00 0.00 C ATOM 432 CD1 LEU A 30 7.960 12.113 12.754 1.00 0.00 C ATOM 433 CD2 LEU A 30 8.977 11.874 10.482 1.00 0.00 C ATOM 0 H LEU A 30 4.749 11.402 10.849 1.00 0.00 H new ATOM 0 HA LEU A 30 6.775 10.323 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.478 10.197 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.874 9.659 11.140 1.00 0.00 H new ATOM 0 HG LEU A 30 6.987 12.517 10.900 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.403 13.106 12.829 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.022 12.092 13.309 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.646 11.377 13.173 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.406 12.870 10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.688 11.132 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.758 11.684 9.431 1.00 0.00 H new ATOM 445 N GLY A 31 4.607 8.502 10.717 1.00 0.00 N ATOM 446 CA GLY A 31 4.021 7.176 10.788 1.00 0.00 C ATOM 447 C GLY A 31 5.048 6.077 10.596 1.00 0.00 C ATOM 448 O GLY A 31 5.948 5.910 11.419 1.00 0.00 O ATOM 0 H GLY A 31 4.156 9.202 11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.534 7.049 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.247 7.083 10.026 1.00 0.00 H new ATOM 452 N ILE A 32 4.912 5.326 9.508 1.00 0.00 N ATOM 453 CA ILE A 32 5.835 4.238 9.212 1.00 0.00 C ATOM 454 C ILE A 32 6.116 4.147 7.716 1.00 0.00 C ATOM 455 O ILE A 32 5.219 4.273 6.882 1.00 0.00 O ATOM 456 CB ILE A 32 5.287 2.885 9.703 1.00 0.00 C ATOM 457 CG1 ILE A 32 4.912 2.969 11.184 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.311 1.783 9.472 1.00 0.00 C ATOM 459 CD1 ILE A 32 3.837 1.987 11.592 1.00 0.00 C ATOM 0 H ILE A 32 4.172 5.451 8.818 1.00 0.00 H new ATOM 0 HA ILE A 32 6.762 4.459 9.741 1.00 0.00 H new ATOM 0 HB ILE A 32 4.389 2.645 9.133 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.803 2.791 11.787 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.573 3.980 11.408 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.909 0.833 9.824 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.534 1.710 8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.225 2.015 10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.622 2.103 12.654 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.932 2.178 11.016 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.181 0.971 11.401 1.00 0.00 H new ATOM 471 N PRO A 33 7.391 3.921 7.366 1.00 0.00 N ATOM 472 CA PRO A 33 7.820 3.806 5.968 1.00 0.00 C ATOM 473 C PRO A 33 7.310 2.529 5.309 1.00 0.00 C ATOM 474 O PRO A 33 6.782 1.640 5.979 1.00 0.00 O ATOM 475 CB PRO A 33 9.347 3.784 6.067 1.00 0.00 C ATOM 476 CG PRO A 33 9.631 3.264 7.434 1.00 0.00 C ATOM 477 CD PRO A 33 8.512 3.761 8.306 1.00 0.00 C ATOM 0 HA PRO A 33 7.431 4.618 5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.784 3.143 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.767 4.780 5.927 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.673 2.175 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.595 3.621 7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.274 3.051 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.768 4.704 8.790 1.00 0.00 H new ATOM 485 N CYS A 34 7.471 2.443 3.993 1.00 0.00 N ATOM 486 CA CYS A 34 7.027 1.274 3.243 1.00 0.00 C ATOM 487 C CYS A 34 8.085 0.175 3.273 1.00 0.00 C ATOM 488 O CYS A 34 9.268 0.443 3.473 1.00 0.00 O ATOM 489 CB CYS A 34 6.717 1.660 1.795 1.00 0.00 C ATOM 490 SG CYS A 34 5.775 0.400 0.876 1.00 0.00 S ATOM 0 H CYS A 34 7.906 3.169 3.424 1.00 0.00 H new ATOM 0 HA CYS A 34 6.120 0.894 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.154 2.594 1.791 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.654 1.851 1.272 1.00 0.00 H new ATOM 495 N ASN A 35 7.648 -1.064 3.072 1.00 0.00 N ATOM 496 CA ASN A 35 8.556 -2.205 3.076 1.00 0.00 C ATOM 497 C ASN A 35 8.973 -2.574 1.656 1.00 0.00 C ATOM 498 O ASN A 35 10.076 -3.071 1.431 1.00 0.00 O ATOM 499 CB ASN A 35 7.896 -3.407 3.754 1.00 0.00 C ATOM 500 CG ASN A 35 8.178 -3.459 5.243 1.00 0.00 C ATOM 501 OD1 ASN A 35 8.781 -4.410 5.740 1.00 0.00 O ATOM 502 ND2 ASN A 35 7.740 -2.433 5.964 1.00 0.00 N ATOM 0 H ASN A 35 6.671 -1.303 2.904 1.00 0.00 H new ATOM 0 HA ASN A 35 9.448 -1.925 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.819 -3.365 3.592 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.253 -4.325 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.899 -2.413 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.244 -1.665 5.510 1.00 0.00 H new ATOM 509 N ASN A 36 8.084 -2.325 0.700 1.00 0.00 N ATOM 510 CA ASN A 36 8.359 -2.631 -0.699 1.00 0.00 C ATOM 511 C ASN A 36 9.153 -1.506 -1.355 1.00 0.00 C ATOM 512 O ASN A 36 10.355 -1.633 -1.588 1.00 0.00 O ATOM 513 CB ASN A 36 7.051 -2.859 -1.460 1.00 0.00 C ATOM 514 CG ASN A 36 7.259 -3.629 -2.749 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.177 -4.857 -2.772 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.530 -2.909 -3.831 1.00 0.00 N ATOM 0 H ASN A 36 7.167 -1.912 0.869 1.00 0.00 H new ATOM 0 HA ASN A 36 8.956 -3.542 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.354 -3.403 -0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.592 -1.896 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.680 -3.372 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.588 -1.893 -3.766 1.00 0.00 H new ATOM 523 N CYS A 37 8.472 -0.404 -1.651 1.00 0.00 N ATOM 524 CA CYS A 37 9.112 0.745 -2.281 1.00 0.00 C ATOM 525 C CYS A 37 10.020 1.471 -1.292 1.00 0.00 C ATOM 526 O CYS A 37 11.008 2.095 -1.681 1.00 0.00 O ATOM 527 CB CYS A 37 8.056 1.710 -2.824 1.00 0.00 C ATOM 528 SG CYS A 37 7.227 2.703 -1.541 1.00 0.00 S ATOM 0 H CYS A 37 7.477 -0.282 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 37 9.721 0.382 -3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.528 2.382 -3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.304 1.140 -3.369 1.00 0.00 H new ATOM 533 N LYS A 38 9.678 1.386 -0.011 1.00 0.00 N ATOM 534 CA LYS A 38 10.462 2.032 1.035 1.00 0.00 C ATOM 535 C LYS A 38 10.347 3.551 0.941 1.00 0.00 C ATOM 536 O LYS A 38 11.335 4.267 1.095 1.00 0.00 O ATOM 537 CB LYS A 38 11.930 1.614 0.933 1.00 0.00 C ATOM 538 CG LYS A 38 12.133 0.110 0.885 1.00 0.00 C ATOM 539 CD LYS A 38 12.064 -0.507 2.271 1.00 0.00 C ATOM 540 CE LYS A 38 13.421 -0.489 2.958 1.00 0.00 C ATOM 541 NZ LYS A 38 13.539 -1.563 3.982 1.00 0.00 N ATOM 0 H LYS A 38 8.862 0.876 0.328 1.00 0.00 H new ATOM 0 HA LYS A 38 10.067 1.714 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.364 2.059 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.474 2.018 1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.372 -0.340 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.100 -0.113 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.341 0.038 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.707 -1.534 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.207 -0.610 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.576 0.481 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.478 -1.517 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.805 -1.433 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.416 -2.491 3.528 1.00 0.00 H new ATOM 555 N GLN A 39 9.134 4.033 0.691 1.00 0.00 N ATOM 556 CA GLN A 39 8.891 5.466 0.578 1.00 0.00 C ATOM 557 C GLN A 39 8.770 6.108 1.956 1.00 0.00 C ATOM 558 O GLN A 39 7.914 5.730 2.756 1.00 0.00 O ATOM 559 CB GLN A 39 7.620 5.727 -0.232 1.00 0.00 C ATOM 560 CG GLN A 39 7.391 7.196 -0.549 1.00 0.00 C ATOM 561 CD GLN A 39 6.137 7.428 -1.369 1.00 0.00 C ATOM 562 OE1 GLN A 39 6.203 7.882 -2.512 1.00 0.00 O ATOM 563 NE2 GLN A 39 4.984 7.118 -0.788 1.00 0.00 N ATOM 0 H GLN A 39 8.305 3.453 0.563 1.00 0.00 H new ATOM 0 HA GLN A 39 9.741 5.913 0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.673 5.166 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.762 5.345 0.321 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.321 7.758 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.252 7.585 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.975 6.744 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.107 7.254 -1.291 1.00 0.00 H new ATOM 572 N PHE A 40 9.634 7.081 2.227 1.00 0.00 N ATOM 573 CA PHE A 40 9.625 7.775 3.510 1.00 0.00 C ATOM 574 C PHE A 40 10.042 9.234 3.342 1.00 0.00 C ATOM 575 O PHE A 40 11.116 9.543 2.827 1.00 0.00 O ATOM 576 CB PHE A 40 10.561 7.076 4.498 1.00 0.00 C ATOM 577 CG PHE A 40 10.096 7.158 5.924 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.784 6.864 6.257 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.972 7.531 6.932 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.353 6.938 7.568 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.547 7.606 8.245 1.00 0.00 C ATOM 582 CZ PHE A 40 9.236 7.311 8.563 1.00 0.00 C ATOM 0 H PHE A 40 10.349 7.407 1.576 1.00 0.00 H new ATOM 0 HA PHE A 40 8.608 7.749 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.658 6.028 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.554 7.519 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.089 6.573 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.998 7.766 6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.328 6.705 7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.240 7.895 9.022 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.901 7.372 9.588 1.00 0.00 H new ATOM 592 N PRO A 41 9.171 10.152 3.786 1.00 0.00 N ATOM 593 CA PRO A 41 7.888 9.795 4.401 1.00 0.00 C ATOM 594 C PRO A 41 6.906 9.209 3.393 1.00 0.00 C ATOM 595 O PRO A 41 7.109 9.312 2.182 1.00 0.00 O ATOM 596 CB PRO A 41 7.369 11.131 4.939 1.00 0.00 C ATOM 597 CG PRO A 41 8.020 12.162 4.084 1.00 0.00 C ATOM 598 CD PRO A 41 9.371 11.610 3.723 1.00 0.00 C ATOM 0 HA PRO A 41 8.002 9.027 5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.283 11.190 4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.631 11.264 5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.428 12.358 3.190 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.115 13.108 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.684 11.930 2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.140 11.941 4.421 1.00 0.00 H new ATOM 606 N ILE A 42 5.842 8.595 3.899 1.00 0.00 N ATOM 607 CA ILE A 42 4.828 7.994 3.041 1.00 0.00 C ATOM 608 C ILE A 42 3.701 8.980 2.749 1.00 0.00 C ATOM 609 O ILE A 42 2.888 9.285 3.621 1.00 0.00 O ATOM 610 CB ILE A 42 4.231 6.725 3.679 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.254 5.588 3.656 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.959 6.316 2.953 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.690 4.259 4.108 1.00 0.00 C ATOM 0 H ILE A 42 5.660 8.501 4.898 1.00 0.00 H new ATOM 0 HA ILE A 42 5.323 7.724 2.108 1.00 0.00 H new ATOM 0 HB ILE A 42 3.979 6.941 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.645 5.482 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.095 5.854 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.549 5.418 3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.229 7.123 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.186 6.114 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.471 3.499 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.325 4.348 5.131 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.868 3.971 3.453 1.00 0.00 H new ATOM 625 N GLU A 43 3.660 9.473 1.515 1.00 0.00 N ATOM 626 CA GLU A 43 2.632 10.423 1.107 1.00 0.00 C ATOM 627 C GLU A 43 1.242 9.804 1.222 1.00 0.00 C ATOM 628 O GLU A 43 0.373 10.328 1.917 1.00 0.00 O ATOM 629 CB GLU A 43 2.877 10.889 -0.330 1.00 0.00 C ATOM 630 CG GLU A 43 3.794 12.096 -0.430 1.00 0.00 C ATOM 631 CD GLU A 43 3.587 12.882 -1.710 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.885 12.340 -2.795 1.00 0.00 O ATOM 633 OE2 GLU A 43 3.126 14.040 -1.627 1.00 0.00 O ATOM 0 H GLU A 43 4.326 9.230 0.781 1.00 0.00 H new ATOM 0 HA GLU A 43 2.684 11.283 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.309 10.067 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.920 11.131 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.622 12.750 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.831 11.765 -0.375 1.00 0.00 H new ATOM 640 N GLY A 44 1.040 8.685 0.533 1.00 0.00 N ATOM 641 CA GLY A 44 -0.246 8.012 0.570 1.00 0.00 C ATOM 642 C GLY A 44 -0.565 7.447 1.940 1.00 0.00 C ATOM 643 O GLY A 44 0.125 7.739 2.917 1.00 0.00 O ATOM 0 H GLY A 44 1.744 8.232 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.028 8.713 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.252 7.205 -0.163 1.00 0.00 H new ATOM 647 N LYS A 45 -1.616 6.638 2.014 1.00 0.00 N ATOM 648 CA LYS A 45 -2.028 6.030 3.274 1.00 0.00 C ATOM 649 C LYS A 45 -0.899 5.194 3.868 1.00 0.00 C ATOM 650 O LYS A 45 0.155 5.029 3.253 1.00 0.00 O ATOM 651 CB LYS A 45 -3.267 5.158 3.062 1.00 0.00 C ATOM 652 CG LYS A 45 -4.576 5.904 3.254 1.00 0.00 C ATOM 653 CD LYS A 45 -4.964 5.983 4.721 1.00 0.00 C ATOM 654 CE LYS A 45 -5.905 7.148 4.986 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.212 8.460 4.862 1.00 0.00 N ATOM 0 H LYS A 45 -2.199 6.388 1.215 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.271 6.830 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.240 4.742 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.232 4.318 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.485 6.911 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.366 5.404 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.443 5.051 5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.067 6.092 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.738 7.109 4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.327 7.053 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.758 9.190 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.262 8.391 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.131 8.716 3.857 1.00 0.00 H new ATOM 669 N CYS A 46 -1.128 4.667 5.066 1.00 0.00 N ATOM 670 CA CYS A 46 -0.130 3.846 5.743 1.00 0.00 C ATOM 671 C CYS A 46 -0.680 2.454 6.038 1.00 0.00 C ATOM 672 O CYS A 46 -1.322 2.234 7.065 1.00 0.00 O ATOM 673 CB CYS A 46 0.316 4.517 7.043 1.00 0.00 C ATOM 674 SG CYS A 46 1.740 5.616 6.856 1.00 0.00 S ATOM 0 H CYS A 46 -1.995 4.793 5.588 1.00 0.00 H new ATOM 0 HA CYS A 46 0.730 3.744 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.519 5.088 7.450 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.560 3.745 7.773 1.00 0.00 H new ATOM 0 HG CYS A 46 1.377 6.841 7.096 1.00 0.00 H new ATOM 680 N TYR A 47 -0.425 1.519 5.130 1.00 0.00 N ATOM 681 CA TYR A 47 -0.898 0.149 5.290 1.00 0.00 C ATOM 682 C TYR A 47 0.062 -0.661 6.156 1.00 0.00 C ATOM 683 O TYR A 47 1.272 -0.433 6.143 1.00 0.00 O ATOM 684 CB TYR A 47 -1.059 -0.520 3.924 1.00 0.00 C ATOM 685 CG TYR A 47 -2.157 0.085 3.079 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.040 1.373 2.571 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.312 -0.631 2.788 1.00 0.00 C ATOM 688 CE1 TYR A 47 -3.041 1.930 1.799 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.317 -0.082 2.016 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.177 1.199 1.524 1.00 0.00 C ATOM 691 OH TYR A 47 -5.176 1.750 0.755 1.00 0.00 O ATOM 0 H TYR A 47 0.107 1.685 4.275 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.867 0.182 5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.116 -0.452 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.267 -1.580 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.151 1.949 2.783 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.426 -1.634 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.934 2.933 1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.208 -0.653 1.799 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.397 1.141 0.020 1.00 0.00 H new ATOM 701 N LYS A 48 -0.486 -1.610 6.907 1.00 0.00 N ATOM 702 CA LYS A 48 0.319 -2.458 7.778 1.00 0.00 C ATOM 703 C LYS A 48 -0.193 -3.894 7.765 1.00 0.00 C ATOM 704 O LYS A 48 -1.400 -4.134 7.828 1.00 0.00 O ATOM 705 CB LYS A 48 0.306 -1.913 9.208 1.00 0.00 C ATOM 706 CG LYS A 48 0.986 -2.826 10.214 1.00 0.00 C ATOM 707 CD LYS A 48 1.174 -2.137 11.555 1.00 0.00 C ATOM 708 CE LYS A 48 1.140 -3.134 12.703 1.00 0.00 C ATOM 709 NZ LYS A 48 0.612 -2.522 13.954 1.00 0.00 N ATOM 0 H LYS A 48 -1.486 -1.811 6.930 1.00 0.00 H new ATOM 0 HA LYS A 48 1.342 -2.453 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.799 -0.941 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.727 -1.752 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.390 -3.729 10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.955 -3.139 9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.125 -1.605 11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.391 -1.392 11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.519 -3.986 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.145 -3.516 12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.605 -3.234 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.218 -1.725 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.357 -2.180 13.791 1.00 0.00 H new ATOM 723 N CYS A 49 0.730 -4.846 7.686 1.00 0.00 N ATOM 724 CA CYS A 49 0.372 -6.259 7.666 1.00 0.00 C ATOM 725 C CYS A 49 0.208 -6.799 9.084 1.00 0.00 C ATOM 726 O CYS A 49 1.119 -6.703 9.907 1.00 0.00 O ATOM 727 CB CYS A 49 1.437 -7.067 6.922 1.00 0.00 C ATOM 728 SG CYS A 49 0.976 -8.802 6.614 1.00 0.00 S ATOM 0 H CYS A 49 1.732 -4.664 7.635 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.580 -6.359 7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.644 -6.583 5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.362 -7.045 7.498 1.00 0.00 H new ATOM 733 N THR A 50 -0.961 -7.368 9.363 1.00 0.00 N ATOM 734 CA THR A 50 -1.246 -7.922 10.681 1.00 0.00 C ATOM 735 C THR A 50 -0.773 -9.367 10.783 1.00 0.00 C ATOM 736 O THR A 50 -1.017 -10.040 11.785 1.00 0.00 O ATOM 737 CB THR A 50 -2.751 -7.862 11.002 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.442 -8.906 10.307 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.334 -6.512 10.612 1.00 0.00 C ATOM 0 H THR A 50 -1.726 -7.457 8.694 1.00 0.00 H new ATOM 0 HA THR A 50 -0.704 -7.313 11.404 1.00 0.00 H new ATOM 0 HB THR A 50 -2.877 -7.997 12.076 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.398 -8.862 10.518 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.398 -6.493 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.826 -5.723 11.165 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.197 -6.352 9.543 1.00 0.00 H new ATOM 747 N GLU A 51 -0.095 -9.839 9.741 1.00 0.00 N ATOM 748 CA GLU A 51 0.412 -11.206 9.716 1.00 0.00 C ATOM 749 C GLU A 51 1.936 -11.220 9.657 1.00 0.00 C ATOM 750 O GLU A 51 2.576 -12.189 10.068 1.00 0.00 O ATOM 751 CB GLU A 51 -0.163 -11.964 8.517 1.00 0.00 C ATOM 752 CG GLU A 51 -1.676 -12.104 8.554 1.00 0.00 C ATOM 753 CD GLU A 51 -2.161 -13.368 7.871 1.00 0.00 C ATOM 754 OE1 GLU A 51 -1.567 -14.439 8.114 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.136 -13.286 7.094 1.00 0.00 O ATOM 0 H GLU A 51 0.116 -9.295 8.904 1.00 0.00 H new ATOM 0 HA GLU A 51 0.097 -11.700 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.123 -11.448 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.285 -12.957 8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.012 -12.104 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.129 -11.238 8.072 1.00 0.00 H new ATOM 762 N CYS A 52 2.513 -10.139 9.142 1.00 0.00 N ATOM 763 CA CYS A 52 3.962 -10.026 9.027 1.00 0.00 C ATOM 764 C CYS A 52 4.536 -9.209 10.180 1.00 0.00 C ATOM 765 O CYS A 52 3.802 -8.749 11.055 1.00 0.00 O ATOM 766 CB CYS A 52 4.340 -9.381 7.692 1.00 0.00 C ATOM 767 SG CYS A 52 4.383 -10.543 6.290 1.00 0.00 S ATOM 0 H CYS A 52 1.999 -9.328 8.798 1.00 0.00 H new ATOM 0 HA CYS A 52 4.385 -11.030 9.070 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.627 -8.587 7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.319 -8.912 7.792 1.00 0.00 H new ATOM 772 N ILE A 53 5.853 -9.032 10.174 1.00 0.00 N ATOM 773 CA ILE A 53 6.526 -8.269 11.218 1.00 0.00 C ATOM 774 C ILE A 53 7.161 -7.003 10.652 1.00 0.00 C ATOM 775 O ILE A 53 7.745 -7.022 9.570 1.00 0.00 O ATOM 776 CB ILE A 53 7.614 -9.108 11.916 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.975 -10.229 12.737 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.479 -8.222 12.800 1.00 0.00 C ATOM 779 CD1 ILE A 53 7.983 -11.126 13.421 1.00 0.00 C ATOM 0 H ILE A 53 6.475 -9.407 9.458 1.00 0.00 H new ATOM 0 HA ILE A 53 5.765 -7.995 11.949 1.00 0.00 H new ATOM 0 HB ILE A 53 8.250 -9.559 11.154 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.321 -9.789 13.491 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.346 -10.834 12.084 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.243 -8.828 13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.958 -7.456 12.190 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.857 -7.746 13.558 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.459 -11.898 13.985 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.621 -11.594 12.671 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.596 -10.533 14.100 1.00 0.00 H new ATOM 791 N GLU A 54 7.042 -5.906 11.394 1.00 0.00 N ATOM 792 CA GLU A 54 7.605 -4.631 10.965 1.00 0.00 C ATOM 793 C GLU A 54 7.412 -4.427 9.465 1.00 0.00 C ATOM 794 O GLU A 54 8.320 -3.977 8.767 1.00 0.00 O ATOM 795 CB GLU A 54 9.094 -4.564 11.312 1.00 0.00 C ATOM 796 CG GLU A 54 9.376 -4.654 12.803 1.00 0.00 C ATOM 797 CD GLU A 54 10.857 -4.589 13.121 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.514 -3.617 12.693 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.360 -5.511 13.797 1.00 0.00 O ATOM 0 H GLU A 54 6.562 -5.875 12.293 1.00 0.00 H new ATOM 0 HA GLU A 54 7.079 -3.835 11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.614 -5.375 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.506 -3.631 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.862 -3.841 13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.965 -5.586 13.191 1.00 0.00 H new ATOM 806 N TYR A 55 6.223 -4.763 8.977 1.00 0.00 N ATOM 807 CA TYR A 55 5.910 -4.620 7.560 1.00 0.00 C ATOM 808 C TYR A 55 4.774 -3.624 7.351 1.00 0.00 C ATOM 809 O TYR A 55 3.738 -3.696 8.014 1.00 0.00 O ATOM 810 CB TYR A 55 5.532 -5.975 6.961 1.00 0.00 C ATOM 811 CG TYR A 55 5.634 -6.020 5.453 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.561 -5.648 4.653 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.804 -6.434 4.829 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.650 -5.688 3.275 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.903 -6.476 3.451 1.00 0.00 C ATOM 816 CZ TYR A 55 5.823 -6.102 2.679 1.00 0.00 C ATOM 817 OH TYR A 55 5.916 -6.143 1.306 1.00 0.00 O ATOM 0 H TYR A 55 5.460 -5.136 9.542 1.00 0.00 H new ATOM 0 HA TYR A 55 6.798 -4.242 7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.180 -6.743 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.512 -6.221 7.255 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.641 -5.322 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.651 -6.728 5.431 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.806 -5.397 2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.820 -6.800 2.982 1.00 0.00 H new ATOM 0 HH TYR A 55 6.808 -6.456 1.048 1.00 0.00 H new ATOM 827 N HIS A 56 4.975 -2.693 6.423 1.00 0.00 N ATOM 828 CA HIS A 56 3.967 -1.681 6.124 1.00 0.00 C ATOM 829 C HIS A 56 4.037 -1.262 4.659 1.00 0.00 C ATOM 830 O HIS A 56 5.122 -1.053 4.113 1.00 0.00 O ATOM 831 CB HIS A 56 4.156 -0.461 7.026 1.00 0.00 C ATOM 832 CG HIS A 56 4.506 -0.810 8.440 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.715 -1.366 8.800 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.799 -0.676 9.586 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.736 -1.561 10.106 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.585 -1.151 10.607 1.00 0.00 N ATOM 0 H HIS A 56 5.826 -2.618 5.866 1.00 0.00 H new ATOM 0 HA HIS A 56 2.985 -2.114 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.942 0.169 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.239 0.129 7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.802 -0.271 9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.555 -1.984 10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.322 -1.182 11.592 1.00 0.00 H new ATOM 844 N LEU A 57 2.875 -1.140 4.027 1.00 0.00 N ATOM 845 CA LEU A 57 2.804 -0.746 2.625 1.00 0.00 C ATOM 846 C LEU A 57 2.142 0.620 2.476 1.00 0.00 C ATOM 847 O LEU A 57 1.471 1.100 3.390 1.00 0.00 O ATOM 848 CB LEU A 57 2.030 -1.791 1.819 1.00 0.00 C ATOM 849 CG LEU A 57 2.830 -3.007 1.354 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.952 -3.945 0.540 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.042 -2.570 0.543 1.00 0.00 C ATOM 0 H LEU A 57 1.969 -1.308 4.464 1.00 0.00 H new ATOM 0 HA LEU A 57 3.822 -0.680 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.194 -2.141 2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.606 -1.303 0.941 1.00 0.00 H new ATOM 0 HG LEU A 57 3.181 -3.545 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.539 -4.805 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.117 -4.285 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.570 -3.418 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.600 -3.449 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.712 -2.009 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.683 -1.939 1.158 1.00 0.00 H new ATOM 863 N CYS A 58 2.334 1.242 1.317 1.00 0.00 N ATOM 864 CA CYS A 58 1.755 2.552 1.047 1.00 0.00 C ATOM 865 C CYS A 58 0.637 2.450 0.013 1.00 0.00 C ATOM 866 O CYS A 58 0.680 1.603 -0.879 1.00 0.00 O ATOM 867 CB CYS A 58 2.834 3.518 0.554 1.00 0.00 C ATOM 868 SG CYS A 58 3.637 3.006 -0.999 1.00 0.00 S ATOM 0 H CYS A 58 2.886 0.859 0.550 1.00 0.00 H new ATOM 0 HA CYS A 58 1.333 2.933 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.388 4.502 0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.595 3.621 1.327 1.00 0.00 H new ATOM 873 N GLN A 59 -0.360 3.319 0.139 1.00 0.00 N ATOM 874 CA GLN A 59 -1.489 3.326 -0.784 1.00 0.00 C ATOM 875 C GLN A 59 -1.046 2.925 -2.188 1.00 0.00 C ATOM 876 O GLN A 59 -1.715 2.139 -2.858 1.00 0.00 O ATOM 877 CB GLN A 59 -2.139 4.710 -0.818 1.00 0.00 C ATOM 878 CG GLN A 59 -3.177 4.868 -1.917 1.00 0.00 C ATOM 879 CD GLN A 59 -4.434 4.063 -1.653 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.355 4.530 -0.981 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.479 2.846 -2.181 1.00 0.00 N ATOM 0 H GLN A 59 -0.409 4.028 0.871 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.219 2.598 -0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.610 4.905 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.363 5.464 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.439 5.921 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.744 4.557 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.693 2.499 -2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.300 2.258 -2.037 1.00 0.00 H new ATOM 890 N GLU A 60 0.084 3.472 -2.625 1.00 0.00 N ATOM 891 CA GLU A 60 0.614 3.171 -3.950 1.00 0.00 C ATOM 892 C GLU A 60 0.881 1.676 -4.103 1.00 0.00 C ATOM 893 O GLU A 60 0.274 1.007 -4.940 1.00 0.00 O ATOM 894 CB GLU A 60 1.901 3.959 -4.200 1.00 0.00 C ATOM 895 CG GLU A 60 2.099 4.358 -5.652 1.00 0.00 C ATOM 896 CD GLU A 60 1.523 5.726 -5.965 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.524 6.109 -5.322 1.00 0.00 O ATOM 898 OE2 GLU A 60 2.072 6.413 -6.851 1.00 0.00 O ATOM 0 H GLU A 60 0.649 4.125 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.133 3.466 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.892 4.858 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.752 3.359 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.164 4.355 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.630 3.614 -6.296 1.00 0.00 H new ATOM 905 N CYS A 61 1.795 1.159 -3.288 1.00 0.00 N ATOM 906 CA CYS A 61 2.146 -0.256 -3.332 1.00 0.00 C ATOM 907 C CYS A 61 0.902 -1.129 -3.187 1.00 0.00 C ATOM 908 O CYS A 61 0.824 -2.216 -3.760 1.00 0.00 O ATOM 909 CB CYS A 61 3.147 -0.588 -2.224 1.00 0.00 C ATOM 910 SG CYS A 61 4.869 -0.144 -2.621 1.00 0.00 S ATOM 0 H CYS A 61 2.306 1.699 -2.589 1.00 0.00 H new ATOM 0 HA CYS A 61 2.603 -0.463 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.850 -0.069 -1.313 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.098 -1.656 -2.013 1.00 0.00 H new ATOM 915 N PHE A 62 -0.068 -0.645 -2.418 1.00 0.00 N ATOM 916 CA PHE A 62 -1.307 -1.381 -2.198 1.00 0.00 C ATOM 917 C PHE A 62 -2.016 -1.661 -3.520 1.00 0.00 C ATOM 918 O PHE A 62 -2.531 -2.757 -3.740 1.00 0.00 O ATOM 919 CB PHE A 62 -2.233 -0.595 -1.267 1.00 0.00 C ATOM 920 CG PHE A 62 -3.295 -1.440 -0.625 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.953 -2.482 0.223 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.637 -1.194 -0.870 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.929 -3.261 0.815 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.617 -1.970 -0.280 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.263 -3.006 0.562 1.00 0.00 C ATOM 0 H PHE A 62 -0.020 0.253 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.056 -2.334 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.635 -0.122 -0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.710 0.206 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.912 -2.687 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.920 -0.387 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.649 -4.069 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.659 -1.766 -0.477 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.027 -3.615 1.022 1.00 0.00 H new ATOM 935 N ASP A 63 -2.038 -0.662 -4.395 1.00 0.00 N ATOM 936 CA ASP A 63 -2.683 -0.800 -5.696 1.00 0.00 C ATOM 937 C ASP A 63 -2.180 -2.043 -6.423 1.00 0.00 C ATOM 938 O ASP A 63 -2.872 -2.597 -7.278 1.00 0.00 O ATOM 939 CB ASP A 63 -2.428 0.443 -6.550 1.00 0.00 C ATOM 940 CG ASP A 63 -2.561 0.164 -8.034 1.00 0.00 C ATOM 941 OD1 ASP A 63 -3.664 -0.228 -8.468 1.00 0.00 O ATOM 942 OD2 ASP A 63 -1.561 0.338 -8.762 1.00 0.00 O ATOM 0 H ASP A 63 -1.617 0.252 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.755 -0.906 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.132 1.226 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.428 0.823 -6.343 1.00 0.00 H new ATOM 947 N SER A 64 -0.972 -2.476 -6.078 1.00 0.00 N ATOM 948 CA SER A 64 -0.374 -3.651 -6.701 1.00 0.00 C ATOM 949 C SER A 64 -1.240 -4.887 -6.472 1.00 0.00 C ATOM 950 O SER A 64 -1.336 -5.760 -7.335 1.00 0.00 O ATOM 951 CB SER A 64 1.032 -3.889 -6.147 1.00 0.00 C ATOM 952 OG SER A 64 1.899 -2.819 -6.480 1.00 0.00 O ATOM 0 H SER A 64 -0.388 -2.031 -5.370 1.00 0.00 H new ATOM 0 HA SER A 64 -0.307 -3.469 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.985 -4.000 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.430 -4.822 -6.546 1.00 0.00 H new ATOM 0 HG SER A 64 1.930 -2.180 -5.738 1.00 0.00 H new ATOM 958 N TYR A 65 -1.866 -4.953 -5.302 1.00 0.00 N ATOM 959 CA TYR A 65 -2.722 -6.083 -4.957 1.00 0.00 C ATOM 960 C TYR A 65 -1.922 -7.381 -4.922 1.00 0.00 C ATOM 961 O TYR A 65 -2.265 -8.353 -5.598 1.00 0.00 O ATOM 962 CB TYR A 65 -3.870 -6.205 -5.960 1.00 0.00 C ATOM 963 CG TYR A 65 -4.998 -5.228 -5.711 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.739 -3.883 -5.479 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.321 -5.651 -5.707 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.766 -2.987 -5.250 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.354 -4.763 -5.481 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.072 -3.432 -5.253 1.00 0.00 C ATOM 969 OH TYR A 65 -8.098 -2.544 -5.026 1.00 0.00 O ATOM 0 H TYR A 65 -1.797 -4.239 -4.577 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.134 -5.904 -3.964 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.481 -6.049 -6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.265 -7.220 -5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.718 -3.532 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.546 -6.692 -5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.548 -1.945 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.377 -5.109 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.955 -3.018 -5.063 1.00 0.00 H new ATOM 979 N CYS A 66 -0.856 -7.390 -4.130 1.00 0.00 N ATOM 980 CA CYS A 66 -0.006 -8.569 -4.006 1.00 0.00 C ATOM 981 C CYS A 66 0.009 -9.079 -2.569 1.00 0.00 C ATOM 982 O CYS A 66 -0.466 -10.179 -2.284 1.00 0.00 O ATOM 983 CB CYS A 66 1.418 -8.247 -4.460 1.00 0.00 C ATOM 984 SG CYS A 66 1.563 -7.868 -6.222 1.00 0.00 S ATOM 0 H CYS A 66 -0.560 -6.595 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.415 -9.351 -4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.788 -7.398 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.063 -9.095 -4.227 1.00 0.00 H new ATOM 0 HG CYS A 66 2.804 -7.607 -6.509 1.00 0.00 H new ATOM 990 N HIS A 67 0.559 -8.274 -1.666 1.00 0.00 N ATOM 991 CA HIS A 67 0.637 -8.644 -0.257 1.00 0.00 C ATOM 992 C HIS A 67 -0.752 -8.916 0.311 1.00 0.00 C ATOM 993 O HIS A 67 -0.891 -9.441 1.417 1.00 0.00 O ATOM 994 CB HIS A 67 1.322 -7.538 0.546 1.00 0.00 C ATOM 995 CG HIS A 67 2.100 -8.045 1.722 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.385 -7.636 2.007 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.765 -8.931 2.688 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.809 -8.250 3.097 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.844 -9.041 3.531 1.00 0.00 N ATOM 0 H HIS A 67 0.957 -7.361 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 67 1.227 -9.557 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.993 -6.985 -0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.567 -6.834 0.896 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.924 -6.964 1.461 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.825 -9.454 2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.779 -8.126 3.555 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.778 -8.555 -0.451 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.158 -8.759 -0.023 1.00 0.00 C ATOM 1009 C LEU A 68 -3.324 -10.117 0.652 1.00 0.00 C ATOM 1010 O LEU A 68 -4.085 -10.256 1.609 1.00 0.00 O ATOM 1011 CB LEU A 68 -4.105 -8.653 -1.220 1.00 0.00 C ATOM 1012 CG LEU A 68 -3.919 -7.428 -2.116 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -4.971 -7.405 -3.214 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -3.978 -6.150 -1.292 1.00 0.00 C ATOM 0 H LEU A 68 -1.681 -8.120 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.407 -7.982 0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.987 -9.547 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.130 -8.654 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.936 -7.490 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.823 -6.526 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.881 -8.305 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.964 -7.367 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.844 -5.289 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.946 -6.081 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.186 -6.163 -0.543 1.00 0.00 H new ATOM 1026 N SER A 69 -2.605 -11.115 0.147 1.00 0.00 N ATOM 1027 CA SER A 69 -2.673 -12.462 0.701 1.00 0.00 C ATOM 1028 C SER A 69 -2.838 -12.419 2.217 1.00 0.00 C ATOM 1029 O SER A 69 -3.534 -13.250 2.801 1.00 0.00 O ATOM 1030 CB SER A 69 -1.415 -13.251 0.335 1.00 0.00 C ATOM 1031 OG SER A 69 -1.243 -13.314 -1.070 1.00 0.00 O ATOM 0 H SER A 69 -1.969 -11.016 -0.644 1.00 0.00 H new ATOM 0 HA SER A 69 -3.543 -12.960 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.543 -12.782 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.484 -14.260 0.742 1.00 0.00 H new ATOM 0 HG SER A 69 -0.431 -13.822 -1.278 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.191 -11.444 2.848 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.265 -11.291 4.297 1.00 0.00 C ATOM 1039 C HIS A 70 -3.291 -10.229 4.679 1.00 0.00 C ATOM 1040 O HIS A 70 -3.727 -9.440 3.840 1.00 0.00 O ATOM 1041 CB HIS A 70 -0.894 -10.920 4.863 1.00 0.00 C ATOM 1042 CG HIS A 70 0.041 -12.084 4.980 1.00 0.00 C ATOM 1043 ND1 HIS A 70 1.407 -11.942 5.100 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.201 -13.415 4.997 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.965 -13.137 5.184 1.00 0.00 C ATOM 1046 NE2 HIS A 70 1.011 -14.048 5.124 1.00 0.00 N ATOM 0 H HIS A 70 -1.610 -10.749 2.379 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.579 -12.244 4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.440 -10.162 4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.026 -10.470 5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.168 -13.891 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.022 -13.335 5.285 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.151 -15.057 5.165 1.00 0.00 H new ATOM 1054 N THR A 71 -3.675 -10.214 5.952 1.00 0.00 N ATOM 1055 CA THR A 71 -4.651 -9.250 6.445 1.00 0.00 C ATOM 1056 C THR A 71 -4.004 -7.893 6.697 1.00 0.00 C ATOM 1057 O THR A 71 -3.241 -7.724 7.647 1.00 0.00 O ATOM 1058 CB THR A 71 -5.314 -9.739 7.747 1.00 0.00 C ATOM 1059 OG1 THR A 71 -5.796 -11.077 7.579 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.465 -8.826 8.143 1.00 0.00 C ATOM 0 H THR A 71 -3.325 -10.859 6.660 1.00 0.00 H new ATOM 0 HA THR A 71 -5.414 -9.148 5.673 1.00 0.00 H new ATOM 0 HB THR A 71 -4.566 -9.720 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.214 -11.381 8.411 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.918 -9.191 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.090 -7.814 8.298 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.213 -8.818 7.350 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.316 -6.927 5.839 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.764 -5.583 5.968 1.00 0.00 C ATOM 1070 C PHE A 72 -4.814 -4.614 6.505 1.00 0.00 C ATOM 1071 O PHE A 72 -6.005 -4.925 6.538 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.244 -5.090 4.616 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.830 -5.510 4.329 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.457 -6.841 4.416 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.874 -4.572 3.973 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.158 -7.231 4.153 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.427 -4.956 3.708 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.786 -6.286 3.799 1.00 0.00 C ATOM 0 H PHE A 72 -4.948 -7.050 5.048 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.936 -5.624 6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.894 -5.467 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.305 -4.002 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.191 -7.583 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.148 -3.530 3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.119 -8.272 4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.163 -4.216 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.803 -6.587 3.594 1.00 0.00 H new ATOM 1088 N THR A 73 -4.363 -3.436 6.926 1.00 0.00 N ATOM 1089 CA THR A 73 -5.261 -2.422 7.463 1.00 0.00 C ATOM 1090 C THR A 73 -4.698 -1.021 7.251 1.00 0.00 C ATOM 1091 O THR A 73 -3.492 -0.802 7.365 1.00 0.00 O ATOM 1092 CB THR A 73 -5.516 -2.637 8.967 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.280 -2.897 9.642 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.476 -3.796 9.192 1.00 0.00 C ATOM 0 H THR A 73 -3.381 -3.161 6.905 1.00 0.00 H new ATOM 0 HA THR A 73 -6.204 -2.518 6.924 1.00 0.00 H new ATOM 0 HB THR A 73 -5.965 -1.729 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.451 -3.031 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.641 -3.929 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.426 -3.582 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.050 -4.708 8.774 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.579 -0.075 6.943 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.169 1.306 6.714 1.00 0.00 C ATOM 1104 C PHE A 74 -5.542 2.188 7.902 1.00 0.00 C ATOM 1105 O PHE A 74 -6.614 2.037 8.488 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.818 1.848 5.438 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.200 2.393 5.654 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.385 3.652 6.204 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -8.315 1.648 5.307 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.656 4.156 6.404 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.589 2.147 5.505 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.760 3.403 6.053 1.00 0.00 C ATOM 0 H PHE A 74 -6.581 -0.239 6.846 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.085 1.323 6.598 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.186 2.634 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.862 1.051 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.526 4.246 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.188 0.666 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.786 5.138 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.450 1.555 5.231 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.754 3.796 6.207 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.649 3.107 8.252 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.882 4.012 9.371 1.00 0.00 C ATOM 1124 C ARG A 75 -5.233 5.412 8.874 1.00 0.00 C ATOM 1125 O ARG A 75 -4.707 5.871 7.861 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.647 4.074 10.271 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.439 4.712 9.604 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.399 6.214 9.841 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.910 6.544 11.177 1.00 0.00 N ATOM 1130 CZ ARG A 75 -0.649 6.380 11.559 1.00 0.00 C ATOM 1131 NH1 ARG A 75 0.246 5.893 10.711 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -0.280 6.704 12.792 1.00 0.00 N ATOM 0 H ARG A 75 -3.757 3.245 7.777 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.724 3.627 9.947 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.893 4.635 11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.386 3.064 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.527 4.257 9.990 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.466 4.512 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.757 6.682 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.398 6.629 9.708 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.574 6.921 11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.033 5.643 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.214 5.768 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.965 7.079 13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.689 6.577 13.084 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.127 6.083 9.594 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.549 7.429 9.225 1.00 0.00 C ATOM 1148 C GLU A 76 -5.589 8.473 9.786 1.00 0.00 C ATOM 1149 O GLU A 76 -4.752 8.171 10.637 1.00 0.00 O ATOM 1150 CB GLU A 76 -7.967 7.700 9.731 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.053 7.148 8.823 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.448 7.389 9.368 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.896 8.554 9.360 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.091 6.411 9.803 1.00 0.00 O ATOM 0 H GLU A 76 -6.572 5.717 10.435 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.540 7.499 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.079 7.264 10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.106 8.776 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.967 7.608 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.899 6.077 8.689 1.00 0.00 H new ATOM 1161 N LYS A 77 -5.715 9.705 9.303 1.00 0.00 N ATOM 1162 CA LYS A 77 -4.860 10.796 9.756 1.00 0.00 C ATOM 1163 C LYS A 77 -4.799 10.844 11.279 1.00 0.00 C ATOM 1164 O LYS A 77 -5.623 10.235 11.962 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.374 12.132 9.214 1.00 0.00 C ATOM 1166 CG LYS A 77 -6.810 12.435 9.604 1.00 0.00 C ATOM 1167 CD LYS A 77 -7.255 13.791 9.082 1.00 0.00 C ATOM 1168 CE LYS A 77 -8.745 14.009 9.297 1.00 0.00 C ATOM 1169 NZ LYS A 77 -9.562 13.323 8.258 1.00 0.00 N ATOM 0 H LYS A 77 -6.401 9.973 8.598 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.854 10.618 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.731 12.933 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.295 12.128 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.466 11.659 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.906 12.413 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.694 14.578 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.025 13.867 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.027 13.640 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.961 15.077 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.571 13.496 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.311 13.693 7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.375 12.300 8.289 1.00 0.00 H new ATOM 1183 N ARG A 78 -3.819 11.571 11.805 1.00 0.00 N ATOM 1184 CA ARG A 78 -3.652 11.698 13.248 1.00 0.00 C ATOM 1185 C ARG A 78 -5.005 11.772 13.948 1.00 0.00 C ATOM 1186 O ARG A 78 -6.012 12.128 13.338 1.00 0.00 O ATOM 1187 CB ARG A 78 -2.825 12.942 13.579 1.00 0.00 C ATOM 1188 CG ARG A 78 -1.325 12.719 13.485 1.00 0.00 C ATOM 1189 CD ARG A 78 -0.818 11.850 14.626 1.00 0.00 C ATOM 1190 NE ARG A 78 0.562 11.421 14.415 1.00 0.00 N ATOM 1191 CZ ARG A 78 1.619 12.146 14.765 1.00 0.00 C ATOM 1192 NH1 ARG A 78 1.454 13.329 15.340 1.00 0.00 N ATOM 1193 NH2 ARG A 78 2.843 11.687 14.541 1.00 0.00 N ATOM 0 H ARG A 78 -3.129 12.081 11.254 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.125 10.814 13.607 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.107 13.747 12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.072 13.274 14.587 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.085 12.247 12.532 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.811 13.680 13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.886 12.404 15.562 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.459 10.974 14.727 1.00 0.00 H new ATOM 0 HE ARG A 78 0.723 10.515 13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.514 13.684 15.515 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.267 13.884 15.608 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.973 10.777 14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.654 12.244 14.810 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.020 11.433 15.233 1.00 0.00 N ATOM 1208 CA ASN A 79 -6.250 11.460 16.016 1.00 0.00 C ATOM 1209 C ASN A 79 -7.264 10.457 15.473 1.00 0.00 C ATOM 1210 O ASN A 79 -8.466 10.717 15.469 1.00 0.00 O ATOM 1211 CB ASN A 79 -6.853 12.866 16.009 1.00 0.00 C ATOM 1212 CG ASN A 79 -6.255 13.757 17.081 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -6.736 13.793 18.213 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -5.201 14.483 16.727 1.00 0.00 N ATOM 0 H ASN A 79 -4.195 11.137 15.754 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.004 11.182 17.041 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.694 13.322 15.032 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.931 12.797 16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.757 15.102 17.405 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.835 14.422 15.777 1.00 0.00 H new ATOM 1221 N GLN A 80 -6.768 9.312 15.016 1.00 0.00 N ATOM 1222 CA GLN A 80 -7.630 8.271 14.470 1.00 0.00 C ATOM 1223 C GLN A 80 -7.080 6.885 14.791 1.00 0.00 C ATOM 1224 O GLN A 80 -6.071 6.750 15.484 1.00 0.00 O ATOM 1225 CB GLN A 80 -7.773 8.438 12.957 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.248 9.821 12.540 1.00 0.00 C ATOM 1227 CD GLN A 80 -9.642 10.135 13.046 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -9.886 11.205 13.605 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.567 9.203 12.851 1.00 0.00 N ATOM 0 H GLN A 80 -5.774 9.082 15.013 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.612 8.369 14.933 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.812 8.235 12.485 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.475 7.693 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.551 10.570 12.917 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.235 9.893 11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.321 8.331 12.383 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.523 9.359 13.169 1.00 0.00 H new ATOM 1238 N LYS A 81 -7.749 5.856 14.282 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.327 4.479 14.513 1.00 0.00 C ATOM 1240 C LYS A 81 -7.333 3.683 13.211 1.00 0.00 C ATOM 1241 O LYS A 81 -7.944 4.094 12.225 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.245 3.808 15.537 1.00 0.00 C ATOM 1243 CG LYS A 81 -7.981 4.245 16.968 1.00 0.00 C ATOM 1244 CD LYS A 81 -6.688 3.653 17.503 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.894 2.236 18.016 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.654 2.214 19.296 1.00 0.00 N ATOM 0 H LYS A 81 -8.586 5.949 13.707 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.309 4.497 14.903 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.282 4.030 15.284 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.124 2.727 15.468 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.930 5.333 17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.813 3.938 17.602 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.935 3.650 16.715 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.305 4.280 18.308 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.429 1.653 17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.925 1.758 18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.544 1.285 19.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.289 2.954 19.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.661 2.388 19.105 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.651 2.544 13.218 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.579 1.690 12.037 1.00 0.00 C ATOM 1262 C TRP A 82 -7.971 1.417 11.478 1.00 0.00 C ATOM 1263 O TRP A 82 -8.978 1.721 12.117 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.885 0.371 12.378 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.519 0.553 12.967 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.194 0.572 14.294 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.295 0.745 12.250 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.841 0.764 14.444 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.267 0.872 13.205 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -2.966 0.819 10.893 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.937 1.070 12.845 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.646 1.016 10.538 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.644 1.139 11.510 1.00 0.00 C ATOM 0 H TRP A 82 -6.140 2.190 14.027 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.998 2.212 11.276 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.505 -0.186 13.081 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.806 -0.234 11.475 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.897 0.454 15.106 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.345 0.817 15.334 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.730 0.724 10.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.164 1.166 13.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.381 1.076 9.493 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.379 1.291 11.200 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.020 0.841 10.281 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.289 0.528 9.635 1.00 0.00 C ATOM 1286 C ARG A 83 -9.210 -0.806 8.899 1.00 0.00 C ATOM 1287 O ARG A 83 -8.135 -1.230 8.475 1.00 0.00 O ATOM 1288 CB ARG A 83 -9.677 1.639 8.659 1.00 0.00 C ATOM 1289 CG ARG A 83 -9.738 3.017 9.298 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.130 3.323 9.830 1.00 0.00 C ATOM 1291 NE ARG A 83 -11.968 3.977 8.828 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.219 4.362 9.054 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.773 4.160 10.242 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -13.917 4.950 8.092 1.00 0.00 N ATOM 0 H ARG A 83 -7.196 0.582 9.739 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.052 0.452 10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.958 1.659 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.649 1.406 8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.015 3.074 10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.453 3.772 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.606 2.397 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.050 3.963 10.709 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.571 4.147 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.238 3.708 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.734 4.456 10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.493 5.107 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.878 5.245 8.266 1.00 0.00 H new ATOM 1308 N SER A 84 -10.355 -1.464 8.751 1.00 0.00 N ATOM 1309 CA SER A 84 -10.415 -2.752 8.069 1.00 0.00 C ATOM 1310 C SER A 84 -10.723 -2.568 6.586 1.00 0.00 C ATOM 1311 O SER A 84 -11.855 -2.263 6.208 1.00 0.00 O ATOM 1312 CB SER A 84 -11.476 -3.645 8.715 1.00 0.00 C ATOM 1313 OG SER A 84 -12.774 -3.103 8.543 1.00 0.00 O ATOM 0 H SER A 84 -11.254 -1.127 9.094 1.00 0.00 H new ATOM 0 HA SER A 84 -9.440 -3.231 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.434 -4.641 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.263 -3.757 9.778 1.00 0.00 H new ATOM 0 HG SER A 84 -12.863 -2.749 7.634 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.707 -2.755 5.751 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.867 -2.610 4.308 1.00 0.00 C ATOM 1321 C LEU A 85 -10.962 -3.536 3.786 1.00 0.00 C ATOM 1322 O LEU A 85 -11.245 -4.574 4.381 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.547 -2.911 3.596 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.393 -1.951 3.890 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -6.059 -2.676 3.794 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -7.428 -0.767 2.935 1.00 0.00 C ATOM 0 H LEU A 85 -8.764 -3.007 6.048 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.158 -1.580 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.233 -3.919 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.729 -2.911 2.521 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.508 -1.576 4.907 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.249 -1.978 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.035 -3.491 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.936 -3.080 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.600 -0.094 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.338 -1.124 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.371 -0.233 3.052 1.00 0.00 H new ATOM 1338 N GLU A 86 -11.571 -3.152 2.668 1.00 0.00 N ATOM 1339 CA GLU A 86 -12.633 -3.949 2.066 1.00 0.00 C ATOM 1340 C GLU A 86 -12.053 -5.058 1.193 1.00 0.00 C ATOM 1341 O GLU A 86 -11.272 -4.800 0.278 1.00 0.00 O ATOM 1342 CB GLU A 86 -13.557 -3.060 1.231 1.00 0.00 C ATOM 1343 CG GLU A 86 -14.143 -1.892 2.008 1.00 0.00 C ATOM 1344 CD GLU A 86 -15.022 -1.003 1.150 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -14.648 -0.742 -0.013 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -16.084 -0.568 1.641 1.00 0.00 O ATOM 0 H GLU A 86 -11.347 -2.295 2.162 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.209 -4.406 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.002 -2.675 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.371 -3.667 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.727 -2.274 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.332 -1.297 2.429 1.00 0.00 H new ATOM 1353 N LYS A 87 -12.440 -6.295 1.485 1.00 0.00 N ATOM 1354 CA LYS A 87 -11.961 -7.446 0.728 1.00 0.00 C ATOM 1355 C LYS A 87 -12.058 -7.190 -0.772 1.00 0.00 C ATOM 1356 O LYS A 87 -13.092 -6.743 -1.269 1.00 0.00 O ATOM 1357 CB LYS A 87 -12.764 -8.695 1.097 1.00 0.00 C ATOM 1358 CG LYS A 87 -14.060 -8.837 0.317 1.00 0.00 C ATOM 1359 CD LYS A 87 -15.068 -7.771 0.713 1.00 0.00 C ATOM 1360 CE LYS A 87 -15.831 -8.165 1.968 1.00 0.00 C ATOM 1361 NZ LYS A 87 -17.072 -8.924 1.648 1.00 0.00 N ATOM 0 H LYS A 87 -13.084 -6.527 2.241 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.914 -7.607 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.147 -9.577 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.992 -8.669 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.853 -8.765 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.486 -9.825 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.552 -6.826 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.770 -7.610 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.189 -8.771 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.089 -7.269 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.563 -9.174 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.696 -8.337 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.825 -9.792 1.132 1.00 0.00 H new ATOM 1375 N ARG A 88 -10.976 -7.477 -1.489 1.00 0.00 N ATOM 1376 CA ARG A 88 -10.941 -7.278 -2.933 1.00 0.00 C ATOM 1377 C ARG A 88 -10.002 -8.280 -3.597 1.00 0.00 C ATOM 1378 O ARG A 88 -8.964 -8.635 -3.041 1.00 0.00 O ATOM 1379 CB ARG A 88 -10.497 -5.851 -3.261 1.00 0.00 C ATOM 1380 CG ARG A 88 -11.493 -4.788 -2.827 1.00 0.00 C ATOM 1381 CD ARG A 88 -12.686 -4.725 -3.769 1.00 0.00 C ATOM 1382 NE ARG A 88 -13.391 -3.449 -3.674 1.00 0.00 N ATOM 1383 CZ ARG A 88 -14.655 -3.280 -4.045 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -15.349 -4.299 -4.532 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -15.228 -2.088 -3.928 1.00 0.00 N ATOM 0 H ARG A 88 -10.112 -7.848 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.947 -7.437 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.539 -5.658 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.335 -5.768 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.838 -5.002 -1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.000 -3.816 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.347 -4.877 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.374 -5.538 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.885 -2.645 -3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.912 -5.216 -4.623 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.320 -4.166 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.697 -1.302 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.199 -1.959 -4.213 1.00 0.00 H new ATOM 1399 N ALA A 89 -10.375 -8.732 -4.790 1.00 0.00 N ATOM 1400 CA ALA A 89 -9.566 -9.692 -5.530 1.00 0.00 C ATOM 1401 C ALA A 89 -9.393 -9.259 -6.982 1.00 0.00 C ATOM 1402 O ALA A 89 -8.273 -9.053 -7.449 1.00 0.00 O ATOM 1403 CB ALA A 89 -10.194 -11.076 -5.461 1.00 0.00 C ATOM 0 H ALA A 89 -11.232 -8.449 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.579 -9.730 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.579 -11.783 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.260 -11.394 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.193 -11.044 -5.895 1.00 0.00 H new ATOM 1409 N ASP A 90 -10.508 -9.123 -7.691 1.00 0.00 N ATOM 1410 CA ASP A 90 -10.480 -8.715 -9.091 1.00 0.00 C ATOM 1411 C ASP A 90 -11.770 -7.996 -9.474 1.00 0.00 C ATOM 1412 O ASP A 90 -12.792 -8.137 -8.803 1.00 0.00 O ATOM 1413 CB ASP A 90 -10.271 -9.931 -9.995 1.00 0.00 C ATOM 1414 CG ASP A 90 -11.222 -11.065 -9.669 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -12.307 -10.789 -9.115 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -10.882 -12.229 -9.966 1.00 0.00 O ATOM 0 H ASP A 90 -11.443 -9.289 -7.319 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.647 -8.025 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.407 -9.634 -11.035 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.244 -10.282 -9.895 1.00 0.00 H new ATOM 1421 N GLU A 91 -11.714 -7.225 -10.555 1.00 0.00 N ATOM 1422 CA GLU A 91 -12.878 -6.483 -11.025 1.00 0.00 C ATOM 1423 C GLU A 91 -14.043 -7.425 -11.315 1.00 0.00 C ATOM 1424 O GLU A 91 -15.126 -7.285 -10.746 1.00 0.00 O ATOM 1425 CB GLU A 91 -12.528 -5.685 -12.283 1.00 0.00 C ATOM 1426 CG GLU A 91 -13.411 -4.467 -12.496 1.00 0.00 C ATOM 1427 CD GLU A 91 -12.863 -3.528 -13.553 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -12.600 -3.994 -14.681 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -12.699 -2.327 -13.252 1.00 0.00 O ATOM 0 H GLU A 91 -10.875 -7.098 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.179 -5.792 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.488 -5.363 -12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.609 -6.338 -13.152 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.410 -4.793 -12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.514 -3.928 -11.554 1.00 0.00 H new ATOM 1436 N VAL A 92 -13.812 -8.386 -12.204 1.00 0.00 N ATOM 1437 CA VAL A 92 -14.841 -9.352 -12.570 1.00 0.00 C ATOM 1438 C VAL A 92 -14.263 -10.759 -12.671 1.00 0.00 C ATOM 1439 O VAL A 92 -13.066 -10.935 -12.901 1.00 0.00 O ATOM 1440 CB VAL A 92 -15.506 -8.984 -13.909 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -16.196 -7.632 -13.810 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -14.479 -8.986 -15.031 1.00 0.00 C ATOM 0 H VAL A 92 -12.921 -8.516 -12.684 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.593 -9.327 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.263 -9.735 -14.137 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.660 -7.389 -14.766 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.961 -7.670 -13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.462 -6.866 -13.558 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.966 -8.724 -15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.699 -8.258 -14.811 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -14.036 -9.978 -15.117 1.00 0.00 H new ATOM 1452 N SER A 93 -15.121 -11.760 -12.499 1.00 0.00 N ATOM 1453 CA SER A 93 -14.695 -13.153 -12.569 1.00 0.00 C ATOM 1454 C SER A 93 -13.756 -13.376 -13.750 1.00 0.00 C ATOM 1455 O SER A 93 -14.096 -13.071 -14.893 1.00 0.00 O ATOM 1456 CB SER A 93 -15.910 -14.075 -12.687 1.00 0.00 C ATOM 1457 OG SER A 93 -16.742 -13.686 -13.766 1.00 0.00 O ATOM 0 H SER A 93 -16.115 -11.632 -12.310 1.00 0.00 H new ATOM 0 HA SER A 93 -14.157 -13.389 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.578 -15.103 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.479 -14.052 -11.758 1.00 0.00 H new ATOM 0 HG SER A 93 -16.187 -13.382 -14.514 1.00 0.00 H new ATOM 1463 N GLY A 94 -12.572 -13.909 -13.466 1.00 0.00 N ATOM 1464 CA GLY A 94 -11.602 -14.164 -14.514 1.00 0.00 C ATOM 1465 C GLY A 94 -10.175 -14.133 -14.004 1.00 0.00 C ATOM 1466 O GLY A 94 -9.641 -13.080 -13.655 1.00 0.00 O ATOM 0 H GLY A 94 -12.267 -14.169 -12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.803 -15.137 -14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.719 -13.420 -15.302 1.00 0.00 H new ATOM 1470 N PRO A 95 -9.534 -15.310 -13.953 1.00 0.00 N ATOM 1471 CA PRO A 95 -8.152 -15.440 -13.482 1.00 0.00 C ATOM 1472 C PRO A 95 -7.149 -14.824 -14.451 1.00 0.00 C ATOM 1473 O PRO A 95 -5.941 -14.867 -14.218 1.00 0.00 O ATOM 1474 CB PRO A 95 -7.949 -16.955 -13.392 1.00 0.00 C ATOM 1475 CG PRO A 95 -8.920 -17.526 -14.366 1.00 0.00 C ATOM 1476 CD PRO A 95 -10.110 -16.606 -14.353 1.00 0.00 C ATOM 0 HA PRO A 95 -7.992 -14.918 -12.538 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.926 -17.233 -13.644 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.139 -17.321 -12.383 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.483 -17.585 -15.363 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.207 -18.539 -14.083 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.585 -16.550 -15.332 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.871 -16.942 -13.648 1.00 0.00 H new ATOM 1484 N SER A 96 -7.657 -14.253 -15.538 1.00 0.00 N ATOM 1485 CA SER A 96 -6.804 -13.631 -16.544 1.00 0.00 C ATOM 1486 C SER A 96 -6.605 -12.148 -16.246 1.00 0.00 C ATOM 1487 O SER A 96 -7.423 -11.311 -16.628 1.00 0.00 O ATOM 1488 CB SER A 96 -7.413 -13.806 -17.937 1.00 0.00 C ATOM 1489 OG SER A 96 -6.456 -13.541 -18.948 1.00 0.00 O ATOM 0 H SER A 96 -8.655 -14.208 -15.745 1.00 0.00 H new ATOM 0 HA SER A 96 -5.832 -14.123 -16.515 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.791 -14.822 -18.047 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.264 -13.135 -18.052 1.00 0.00 H new ATOM 0 HG SER A 96 -6.869 -13.661 -19.829 1.00 0.00 H new ATOM 1495 N SER A 97 -5.511 -11.831 -15.561 1.00 0.00 N ATOM 1496 CA SER A 97 -5.205 -10.449 -15.207 1.00 0.00 C ATOM 1497 C SER A 97 -4.480 -9.744 -16.350 1.00 0.00 C ATOM 1498 O SER A 97 -4.955 -8.736 -16.872 1.00 0.00 O ATOM 1499 CB SER A 97 -4.349 -10.403 -13.940 1.00 0.00 C ATOM 1500 OG SER A 97 -5.159 -10.413 -12.777 1.00 0.00 O ATOM 0 H SER A 97 -4.822 -12.511 -15.240 1.00 0.00 H new ATOM 0 HA SER A 97 -6.145 -9.930 -15.021 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.672 -11.257 -13.923 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.730 -9.506 -13.948 1.00 0.00 H new ATOM 0 HG SER A 97 -4.588 -10.385 -11.981 1.00 0.00 H new ATOM 1506 N GLY A 98 -3.327 -10.283 -16.733 1.00 0.00 N ATOM 1507 CA GLY A 98 -2.554 -9.693 -17.811 1.00 0.00 C ATOM 1508 C GLY A 98 -2.084 -8.289 -17.486 1.00 0.00 C ATOM 1509 O GLY A 98 -2.868 -7.502 -16.959 1.00 0.00 O ATOM 0 H GLY A 98 -2.914 -11.117 -16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.689 -10.323 -18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.159 -9.670 -18.717 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.333 1.501 -1.112 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.336 -10.112 5.210 1.00 0.00 ZN