USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 38 HIS HD1 : A 38 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 THR OG1 : rot 49:sc= 0.776 USER MOD Single : A 11 HIS : no HD1:sc= -2.65! K(o=-2.7!,f=-0.59) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= -1.3 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0358 K(o=-0.036,f=-0.59) USER MOD Single : A 37 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.8!) USER MOD Single : A 43 SER OG : rot 1:sc= 0.604 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -3.6 X(o=-3.6,f=-3.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.264 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.221 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.584 K(o=-0.58,f=-1.3) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.00126 K(o=0.0013,f=-1) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.155 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.100 -34.512 -7.086 1.00 0.00 N ATOM 2 CA GLY A 1 -0.924 -34.129 -6.327 1.00 0.00 C ATOM 3 C GLY A 1 -1.187 -32.955 -5.404 1.00 0.00 C ATOM 4 O GLY A 1 -0.468 -31.957 -5.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.869 -35.318 -7.701 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.862 -34.783 -6.432 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.413 -33.710 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.582 -34.980 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.119 -33.873 -7.015 1.00 0.00 H new ATOM 8 N SER A 2 -2.222 -33.074 -4.578 1.00 0.00 N ATOM 9 CA SER A 2 -2.582 -32.012 -3.646 1.00 0.00 C ATOM 10 C SER A 2 -1.523 -31.864 -2.557 1.00 0.00 C ATOM 11 O SER A 2 -1.550 -32.570 -1.549 1.00 0.00 O ATOM 12 CB SER A 2 -3.944 -32.301 -3.012 1.00 0.00 C ATOM 13 OG SER A 2 -4.983 -32.207 -3.972 1.00 0.00 O ATOM 0 H SER A 2 -2.826 -33.895 -4.535 1.00 0.00 H new ATOM 0 HA SER A 2 -2.640 -31.077 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.940 -33.298 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.128 -31.596 -2.201 1.00 0.00 H new ATOM 0 HG SER A 2 -5.843 -32.398 -3.543 1.00 0.00 H new ATOM 19 N SER A 3 -0.592 -30.940 -2.768 1.00 0.00 N ATOM 20 CA SER A 3 0.479 -30.700 -1.808 1.00 0.00 C ATOM 21 C SER A 3 0.225 -29.418 -1.020 1.00 0.00 C ATOM 22 O SER A 3 -0.497 -28.531 -1.473 1.00 0.00 O ATOM 23 CB SER A 3 1.827 -30.612 -2.526 1.00 0.00 C ATOM 24 OG SER A 3 2.158 -31.844 -3.142 1.00 0.00 O ATOM 0 H SER A 3 -0.557 -30.345 -3.596 1.00 0.00 H new ATOM 0 HA SER A 3 0.502 -31.537 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.791 -29.824 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.605 -30.338 -1.813 1.00 0.00 H new ATOM 0 HG SER A 3 3.023 -31.761 -3.595 1.00 0.00 H new ATOM 30 N GLY A 4 0.825 -29.329 0.164 1.00 0.00 N ATOM 31 CA GLY A 4 0.652 -28.154 0.997 1.00 0.00 C ATOM 32 C GLY A 4 1.837 -27.212 0.923 1.00 0.00 C ATOM 33 O GLY A 4 2.073 -26.580 -0.107 1.00 0.00 O ATOM 0 H GLY A 4 1.428 -30.050 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.249 -27.624 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.502 -28.464 2.031 1.00 0.00 H new ATOM 37 N SER A 5 2.583 -27.116 2.019 1.00 0.00 N ATOM 38 CA SER A 5 3.747 -26.239 2.076 1.00 0.00 C ATOM 39 C SER A 5 5.028 -27.018 1.792 1.00 0.00 C ATOM 40 O SER A 5 5.256 -28.087 2.357 1.00 0.00 O ATOM 41 CB SER A 5 3.839 -25.568 3.448 1.00 0.00 C ATOM 42 OG SER A 5 4.628 -24.392 3.388 1.00 0.00 O ATOM 0 H SER A 5 2.402 -27.634 2.879 1.00 0.00 H new ATOM 0 HA SER A 5 3.631 -25.472 1.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.839 -25.321 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.271 -26.263 4.168 1.00 0.00 H new ATOM 0 HG SER A 5 4.670 -23.981 4.277 1.00 0.00 H new ATOM 48 N SER A 6 5.861 -26.473 0.911 1.00 0.00 N ATOM 49 CA SER A 6 7.118 -27.117 0.548 1.00 0.00 C ATOM 50 C SER A 6 8.307 -26.349 1.117 1.00 0.00 C ATOM 51 O SER A 6 9.074 -26.877 1.921 1.00 0.00 O ATOM 52 CB SER A 6 7.243 -27.217 -0.974 1.00 0.00 C ATOM 53 OG SER A 6 8.018 -28.342 -1.349 1.00 0.00 O ATOM 0 H SER A 6 5.688 -25.587 0.436 1.00 0.00 H new ATOM 0 HA SER A 6 7.119 -28.121 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.251 -27.290 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.702 -26.309 -1.365 1.00 0.00 H new ATOM 0 HG SER A 6 8.081 -28.385 -2.326 1.00 0.00 H new ATOM 59 N GLY A 7 8.452 -25.097 0.694 1.00 0.00 N ATOM 60 CA GLY A 7 9.549 -24.275 1.171 1.00 0.00 C ATOM 61 C GLY A 7 9.143 -22.830 1.379 1.00 0.00 C ATOM 62 O GLY A 7 8.111 -22.548 1.989 1.00 0.00 O ATOM 0 H GLY A 7 7.829 -24.637 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.923 -24.683 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.370 -24.319 0.455 1.00 0.00 H new ATOM 66 N THR A 8 9.958 -21.909 0.873 1.00 0.00 N ATOM 67 CA THR A 8 9.680 -20.485 1.009 1.00 0.00 C ATOM 68 C THR A 8 9.564 -19.814 -0.355 1.00 0.00 C ATOM 69 O THR A 8 10.552 -19.322 -0.900 1.00 0.00 O ATOM 70 CB THR A 8 10.775 -19.774 1.827 1.00 0.00 C ATOM 71 OG1 THR A 8 12.053 -19.975 1.213 1.00 0.00 O ATOM 72 CG2 THR A 8 10.806 -20.293 3.256 1.00 0.00 C ATOM 0 H THR A 8 10.816 -22.125 0.365 1.00 0.00 H new ATOM 0 HA THR A 8 8.729 -20.398 1.535 1.00 0.00 H new ATOM 0 HB THR A 8 10.547 -18.708 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.992 -19.772 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.587 -19.776 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.841 -20.112 3.730 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.012 -21.363 3.250 1.00 0.00 H new ATOM 80 N GLU A 9 8.352 -19.798 -0.901 1.00 0.00 N ATOM 81 CA GLU A 9 8.109 -19.187 -2.202 1.00 0.00 C ATOM 82 C GLU A 9 8.359 -17.683 -2.152 1.00 0.00 C ATOM 83 O GLU A 9 8.841 -17.157 -1.150 1.00 0.00 O ATOM 84 CB GLU A 9 6.675 -19.462 -2.660 1.00 0.00 C ATOM 85 CG GLU A 9 6.562 -19.808 -4.135 1.00 0.00 C ATOM 86 CD GLU A 9 7.043 -21.213 -4.443 1.00 0.00 C ATOM 87 OE1 GLU A 9 8.158 -21.567 -4.006 1.00 0.00 O ATOM 88 OE2 GLU A 9 6.305 -21.957 -5.122 1.00 0.00 O ATOM 0 H GLU A 9 7.524 -20.201 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 9 8.802 -19.629 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.266 -20.283 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.062 -18.585 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.523 -19.706 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.143 -19.093 -4.718 1.00 0.00 H new ATOM 95 N GLU A 10 8.029 -16.997 -3.243 1.00 0.00 N ATOM 96 CA GLU A 10 8.219 -15.554 -3.323 1.00 0.00 C ATOM 97 C GLU A 10 6.902 -14.818 -3.096 1.00 0.00 C ATOM 98 O GLU A 10 6.151 -14.562 -4.038 1.00 0.00 O ATOM 99 CB GLU A 10 8.803 -15.170 -4.685 1.00 0.00 C ATOM 100 CG GLU A 10 8.677 -13.690 -5.005 1.00 0.00 C ATOM 101 CD GLU A 10 9.758 -13.204 -5.951 1.00 0.00 C ATOM 102 OE1 GLU A 10 9.809 -13.699 -7.097 1.00 0.00 O ATOM 103 OE2 GLU A 10 10.552 -12.329 -5.547 1.00 0.00 O ATOM 0 H GLU A 10 7.629 -17.417 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 10 8.918 -15.261 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.856 -15.451 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.300 -15.745 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.699 -13.500 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.725 -13.117 -4.079 1.00 0.00 H new ATOM 110 N HIS A 11 6.628 -14.481 -1.840 1.00 0.00 N ATOM 111 CA HIS A 11 5.401 -13.775 -1.488 1.00 0.00 C ATOM 112 C HIS A 11 4.199 -14.713 -1.544 1.00 0.00 C ATOM 113 O HIS A 11 3.135 -14.345 -2.041 1.00 0.00 O ATOM 114 CB HIS A 11 5.183 -12.590 -2.429 1.00 0.00 C ATOM 115 CG HIS A 11 4.403 -11.470 -1.812 1.00 0.00 C ATOM 116 ND1 HIS A 11 4.884 -10.701 -0.773 1.00 0.00 N ATOM 117 CD2 HIS A 11 3.169 -10.991 -2.093 1.00 0.00 C ATOM 118 CE1 HIS A 11 3.979 -9.798 -0.441 1.00 0.00 C ATOM 119 NE2 HIS A 11 2.928 -9.952 -1.227 1.00 0.00 N ATOM 0 H HIS A 11 7.239 -14.685 -1.049 1.00 0.00 H new ATOM 0 HA HIS A 11 5.503 -13.405 -0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.152 -12.211 -2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 11 4.662 -12.936 -3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 11 2.498 -11.357 -2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.081 -9.059 0.340 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.077 -9.391 -1.196 1.00 0.00 H new ATOM 127 N VAL A 12 4.377 -15.926 -1.030 1.00 0.00 N ATOM 128 CA VAL A 12 3.307 -16.916 -1.020 1.00 0.00 C ATOM 129 C VAL A 12 2.142 -16.458 -0.150 1.00 0.00 C ATOM 130 O VAL A 12 0.984 -16.519 -0.562 1.00 0.00 O ATOM 131 CB VAL A 12 3.809 -18.280 -0.511 1.00 0.00 C ATOM 132 CG1 VAL A 12 4.466 -18.132 0.853 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.665 -19.281 -0.454 1.00 0.00 C ATOM 0 H VAL A 12 5.252 -16.246 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 12 2.966 -17.024 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 12 4.557 -18.656 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.814 -19.106 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.313 -17.450 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.742 -17.734 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.038 -20.239 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.893 -18.913 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.243 -19.409 -1.451 1.00 0.00 H new ATOM 143 N GLY A 13 2.457 -15.998 1.057 1.00 0.00 N ATOM 144 CA GLY A 13 1.425 -15.536 1.967 1.00 0.00 C ATOM 145 C GLY A 13 1.779 -15.787 3.420 1.00 0.00 C ATOM 146 O GLY A 13 0.923 -16.168 4.218 1.00 0.00 O ATOM 0 H GLY A 13 3.408 -15.937 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.262 -14.469 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.487 -16.039 1.733 1.00 0.00 H new ATOM 150 N SER A 14 3.045 -15.574 3.764 1.00 0.00 N ATOM 151 CA SER A 14 3.512 -15.785 5.130 1.00 0.00 C ATOM 152 C SER A 14 3.195 -14.576 6.004 1.00 0.00 C ATOM 153 O SER A 14 3.933 -13.591 6.012 1.00 0.00 O ATOM 154 CB SER A 14 5.017 -16.056 5.141 1.00 0.00 C ATOM 155 OG SER A 14 5.493 -16.241 6.463 1.00 0.00 O ATOM 0 H SER A 14 3.766 -15.256 3.116 1.00 0.00 H new ATOM 0 HA SER A 14 2.991 -16.652 5.536 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.234 -16.943 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.543 -15.223 4.675 1.00 0.00 H new ATOM 0 HG SER A 14 6.457 -16.414 6.442 1.00 0.00 H new ATOM 161 N GLY A 15 2.091 -14.659 6.741 1.00 0.00 N ATOM 162 CA GLY A 15 1.695 -13.566 7.610 1.00 0.00 C ATOM 163 C GLY A 15 2.056 -12.210 7.036 1.00 0.00 C ATOM 164 O GLY A 15 2.733 -11.413 7.686 1.00 0.00 O ATOM 0 H GLY A 15 1.464 -15.464 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.619 -13.611 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.175 -13.686 8.581 1.00 0.00 H new ATOM 168 N LEU A 16 1.604 -11.947 5.815 1.00 0.00 N ATOM 169 CA LEU A 16 1.885 -10.677 5.152 1.00 0.00 C ATOM 170 C LEU A 16 0.596 -9.909 4.881 1.00 0.00 C ATOM 171 O LEU A 16 0.627 -8.780 4.391 1.00 0.00 O ATOM 172 CB LEU A 16 2.634 -10.919 3.841 1.00 0.00 C ATOM 173 CG LEU A 16 2.200 -12.145 3.036 1.00 0.00 C ATOM 174 CD1 LEU A 16 0.692 -12.149 2.841 1.00 0.00 C ATOM 175 CD2 LEU A 16 2.914 -12.180 1.692 1.00 0.00 C ATOM 0 H LEU A 16 1.042 -12.595 5.264 1.00 0.00 H new ATOM 0 HA LEU A 16 2.510 -10.079 5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.518 -10.037 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.696 -11.014 4.065 1.00 0.00 H new ATOM 0 HG LEU A 16 2.475 -13.039 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.402 -13.028 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.199 -12.172 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.392 -11.249 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.593 -13.059 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.670 -11.281 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.991 -12.226 1.853 1.00 0.00 H new ATOM 187 N GLU A 17 -0.536 -10.527 5.205 1.00 0.00 N ATOM 188 CA GLU A 17 -1.835 -9.899 4.997 1.00 0.00 C ATOM 189 C GLU A 17 -1.782 -8.412 5.340 1.00 0.00 C ATOM 190 O GLU A 17 -1.147 -8.010 6.315 1.00 0.00 O ATOM 191 CB GLU A 17 -2.903 -10.591 5.847 1.00 0.00 C ATOM 192 CG GLU A 17 -2.617 -10.547 7.339 1.00 0.00 C ATOM 193 CD GLU A 17 -3.382 -11.604 8.111 1.00 0.00 C ATOM 194 OE1 GLU A 17 -3.545 -12.724 7.583 1.00 0.00 O ATOM 195 OE2 GLU A 17 -3.818 -11.310 9.244 1.00 0.00 O ATOM 0 H GLU A 17 -0.579 -11.461 5.612 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.095 -10.003 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.868 -10.121 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.988 -11.631 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.548 -10.684 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.876 -9.561 7.726 1.00 0.00 H new ATOM 202 N CYS A 18 -2.453 -7.601 4.529 1.00 0.00 N ATOM 203 CA CYS A 18 -2.483 -6.159 4.744 1.00 0.00 C ATOM 204 C CYS A 18 -2.973 -5.828 6.151 1.00 0.00 C ATOM 205 O CYS A 18 -4.018 -6.301 6.598 1.00 0.00 O ATOM 206 CB CYS A 18 -3.385 -5.487 3.707 1.00 0.00 C ATOM 207 SG CYS A 18 -4.046 -3.872 4.231 1.00 0.00 S ATOM 0 H CYS A 18 -2.983 -7.918 3.717 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.467 -5.779 4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.822 -5.355 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.218 -6.152 3.480 1.00 0.00 H new ATOM 212 N PRO A 19 -2.201 -4.996 6.865 1.00 0.00 N ATOM 213 CA PRO A 19 -2.536 -4.582 8.231 1.00 0.00 C ATOM 214 C PRO A 19 -3.746 -3.656 8.276 1.00 0.00 C ATOM 215 O PRO A 19 -4.506 -3.657 9.244 1.00 0.00 O ATOM 216 CB PRO A 19 -1.279 -3.843 8.696 1.00 0.00 C ATOM 217 CG PRO A 19 -0.638 -3.359 7.442 1.00 0.00 C ATOM 218 CD PRO A 19 -0.942 -4.394 6.395 1.00 0.00 C ATOM 0 HA PRO A 19 -2.805 -5.431 8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.529 -3.014 9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.614 -4.504 9.251 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.032 -2.385 7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.438 -3.242 7.574 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.055 -3.946 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.146 -5.135 6.319 1.00 0.00 H new ATOM 226 N VAL A 20 -3.919 -2.865 7.222 1.00 0.00 N ATOM 227 CA VAL A 20 -5.038 -1.934 7.140 1.00 0.00 C ATOM 228 C VAL A 20 -6.363 -2.644 7.394 1.00 0.00 C ATOM 229 O VAL A 20 -7.163 -2.211 8.225 1.00 0.00 O ATOM 230 CB VAL A 20 -5.094 -1.242 5.765 1.00 0.00 C ATOM 231 CG1 VAL A 20 -6.022 -0.038 5.810 1.00 0.00 C ATOM 232 CG2 VAL A 20 -3.699 -0.834 5.318 1.00 0.00 C ATOM 0 H VAL A 20 -3.298 -2.850 6.413 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.879 -1.180 7.911 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.492 -1.949 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.049 0.438 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.026 -0.363 6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.657 0.675 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.757 -0.347 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.271 -0.143 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.067 -1.719 5.243 1.00 0.00 H new ATOM 242 N CYS A 21 -6.590 -3.736 6.673 1.00 0.00 N ATOM 243 CA CYS A 21 -7.819 -4.508 6.819 1.00 0.00 C ATOM 244 C CYS A 21 -7.551 -5.826 7.539 1.00 0.00 C ATOM 245 O CYS A 21 -8.457 -6.425 8.119 1.00 0.00 O ATOM 246 CB CYS A 21 -8.440 -4.781 5.448 1.00 0.00 C ATOM 247 SG CYS A 21 -7.257 -5.389 4.203 1.00 0.00 S ATOM 0 H CYS A 21 -5.939 -4.107 5.981 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.517 -3.923 7.417 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.239 -5.513 5.562 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.899 -3.863 5.080 1.00 0.00 H new ATOM 252 N LYS A 22 -6.300 -6.273 7.499 1.00 0.00 N ATOM 253 CA LYS A 22 -5.910 -7.518 8.148 1.00 0.00 C ATOM 254 C LYS A 22 -6.569 -8.715 7.469 1.00 0.00 C ATOM 255 O LYS A 22 -6.996 -9.659 8.133 1.00 0.00 O ATOM 256 CB LYS A 22 -6.291 -7.486 9.630 1.00 0.00 C ATOM 257 CG LYS A 22 -5.757 -6.271 10.368 1.00 0.00 C ATOM 258 CD LYS A 22 -4.387 -6.540 10.968 1.00 0.00 C ATOM 259 CE LYS A 22 -3.810 -5.294 11.622 1.00 0.00 C ATOM 260 NZ LYS A 22 -2.820 -5.631 12.682 1.00 0.00 N ATOM 0 H LYS A 22 -5.538 -5.790 7.023 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.829 -7.622 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.377 -7.506 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.916 -8.388 10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.695 -5.426 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.453 -5.990 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.463 -7.338 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.710 -6.890 10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.333 -4.674 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.618 -4.704 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.450 -4.755 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.281 -6.201 13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.036 -6.172 12.265 1.00 0.00 H new ATOM 274 N GLU A 23 -6.646 -8.669 6.143 1.00 0.00 N ATOM 275 CA GLU A 23 -7.252 -9.751 5.375 1.00 0.00 C ATOM 276 C GLU A 23 -6.181 -10.635 4.742 1.00 0.00 C ATOM 277 O GLU A 23 -5.802 -11.665 5.300 1.00 0.00 O ATOM 278 CB GLU A 23 -8.168 -9.184 4.289 1.00 0.00 C ATOM 279 CG GLU A 23 -9.403 -8.488 4.837 1.00 0.00 C ATOM 280 CD GLU A 23 -10.585 -9.426 4.984 1.00 0.00 C ATOM 281 OE1 GLU A 23 -11.196 -9.778 3.953 1.00 0.00 O ATOM 282 OE2 GLU A 23 -10.899 -9.809 6.131 1.00 0.00 O ATOM 0 H GLU A 23 -6.297 -7.895 5.578 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.844 -10.360 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.603 -8.478 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.480 -9.994 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.168 -8.051 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.676 -7.666 4.175 1.00 0.00 H new ATOM 289 N ASP A 24 -5.699 -10.225 3.574 1.00 0.00 N ATOM 290 CA ASP A 24 -4.672 -10.979 2.865 1.00 0.00 C ATOM 291 C ASP A 24 -4.349 -10.327 1.524 1.00 0.00 C ATOM 292 O ASP A 24 -5.045 -9.412 1.083 1.00 0.00 O ATOM 293 CB ASP A 24 -5.127 -12.423 2.648 1.00 0.00 C ATOM 294 CG ASP A 24 -4.167 -13.207 1.774 1.00 0.00 C ATOM 295 OD1 ASP A 24 -3.050 -13.510 2.243 1.00 0.00 O ATOM 296 OD2 ASP A 24 -4.534 -13.519 0.622 1.00 0.00 O ATOM 0 H ASP A 24 -6.003 -9.375 3.098 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.769 -10.979 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.223 -12.920 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.116 -12.424 2.189 1.00 0.00 H new ATOM 301 N TYR A 25 -3.289 -10.804 0.880 1.00 0.00 N ATOM 302 CA TYR A 25 -2.871 -10.266 -0.409 1.00 0.00 C ATOM 303 C TYR A 25 -3.297 -11.187 -1.548 1.00 0.00 C ATOM 304 O TYR A 25 -3.969 -12.194 -1.328 1.00 0.00 O ATOM 305 CB TYR A 25 -1.355 -10.069 -0.436 1.00 0.00 C ATOM 306 CG TYR A 25 -0.880 -8.901 0.399 1.00 0.00 C ATOM 307 CD1 TYR A 25 -1.572 -7.696 0.399 1.00 0.00 C ATOM 308 CD2 TYR A 25 0.260 -9.003 1.187 1.00 0.00 C ATOM 309 CE1 TYR A 25 -1.142 -6.626 1.160 1.00 0.00 C ATOM 310 CE2 TYR A 25 0.696 -7.939 1.952 1.00 0.00 C ATOM 311 CZ TYR A 25 -0.008 -6.752 1.935 1.00 0.00 C ATOM 312 OH TYR A 25 0.425 -5.690 2.695 1.00 0.00 O ATOM 0 H TYR A 25 -2.704 -11.562 1.230 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.358 -9.300 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.873 -10.979 -0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.035 -9.921 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.461 -7.594 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.814 -9.930 1.201 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.691 -5.696 1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.583 -8.035 2.560 1.00 0.00 H new ATOM 0 HH TYR A 25 1.079 -6.004 3.354 1.00 0.00 H new ATOM 322 N ALA A 26 -2.898 -10.835 -2.766 1.00 0.00 N ATOM 323 CA ALA A 26 -3.235 -11.630 -3.940 1.00 0.00 C ATOM 324 C ALA A 26 -2.316 -11.298 -5.110 1.00 0.00 C ATOM 325 O ALA A 26 -2.123 -10.129 -5.448 1.00 0.00 O ATOM 326 CB ALA A 26 -4.689 -11.409 -4.328 1.00 0.00 C ATOM 0 H ALA A 26 -2.341 -10.004 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.094 -12.681 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.926 -12.009 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.335 -11.704 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.849 -10.355 -4.555 1.00 0.00 H new ATOM 332 N LEU A 27 -1.751 -12.331 -5.725 1.00 0.00 N ATOM 333 CA LEU A 27 -0.851 -12.148 -6.858 1.00 0.00 C ATOM 334 C LEU A 27 -1.305 -10.983 -7.732 1.00 0.00 C ATOM 335 O LEU A 27 -0.500 -10.141 -8.128 1.00 0.00 O ATOM 336 CB LEU A 27 -0.783 -13.429 -7.692 1.00 0.00 C ATOM 337 CG LEU A 27 0.107 -14.543 -7.140 1.00 0.00 C ATOM 338 CD1 LEU A 27 -0.160 -15.850 -7.869 1.00 0.00 C ATOM 339 CD2 LEU A 27 1.575 -14.158 -7.251 1.00 0.00 C ATOM 0 H LEU A 27 -1.900 -13.304 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 27 0.142 -11.921 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.794 -13.821 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.430 -13.170 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.132 -14.684 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.483 -16.631 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.204 -16.134 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.050 -15.724 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.193 -14.963 -6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.829 -13.989 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.756 -13.246 -6.682 1.00 0.00 H new ATOM 351 N GLY A 28 -2.601 -10.940 -8.026 1.00 0.00 N ATOM 352 CA GLY A 28 -3.140 -9.873 -8.849 1.00 0.00 C ATOM 353 C GLY A 28 -3.406 -8.608 -8.056 1.00 0.00 C ATOM 354 O GLY A 28 -3.366 -7.506 -8.602 1.00 0.00 O ATOM 0 H GLY A 28 -3.287 -11.625 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.441 -9.652 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.067 -10.209 -9.313 1.00 0.00 H new ATOM 358 N GLU A 29 -3.681 -8.767 -6.765 1.00 0.00 N ATOM 359 CA GLU A 29 -3.958 -7.629 -5.898 1.00 0.00 C ATOM 360 C GLU A 29 -2.771 -6.670 -5.863 1.00 0.00 C ATOM 361 O GLU A 29 -1.672 -7.040 -5.450 1.00 0.00 O ATOM 362 CB GLU A 29 -4.283 -8.106 -4.481 1.00 0.00 C ATOM 363 CG GLU A 29 -5.759 -8.395 -4.260 1.00 0.00 C ATOM 364 CD GLU A 29 -6.522 -7.185 -3.759 1.00 0.00 C ATOM 365 OE1 GLU A 29 -6.558 -6.973 -2.529 1.00 0.00 O ATOM 366 OE2 GLU A 29 -7.083 -6.449 -4.597 1.00 0.00 O ATOM 0 H GLU A 29 -3.718 -9.673 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.820 -7.099 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.709 -9.008 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.959 -7.348 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.202 -8.738 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.862 -9.208 -3.541 1.00 0.00 H new ATOM 373 N SER A 30 -3.002 -5.436 -6.301 1.00 0.00 N ATOM 374 CA SER A 30 -1.952 -4.425 -6.324 1.00 0.00 C ATOM 375 C SER A 30 -1.521 -4.055 -4.908 1.00 0.00 C ATOM 376 O SER A 30 -2.229 -3.341 -4.198 1.00 0.00 O ATOM 377 CB SER A 30 -2.433 -3.176 -7.065 1.00 0.00 C ATOM 378 OG SER A 30 -1.364 -2.275 -7.296 1.00 0.00 O ATOM 0 H SER A 30 -3.906 -5.113 -6.644 1.00 0.00 H new ATOM 0 HA SER A 30 -1.093 -4.842 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.882 -3.464 -8.016 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.210 -2.681 -6.483 1.00 0.00 H new ATOM 0 HG SER A 30 -1.698 -1.486 -7.772 1.00 0.00 H new ATOM 384 N VAL A 31 -0.355 -4.547 -4.503 1.00 0.00 N ATOM 385 CA VAL A 31 0.172 -4.269 -3.172 1.00 0.00 C ATOM 386 C VAL A 31 1.269 -3.211 -3.226 1.00 0.00 C ATOM 387 O VAL A 31 1.967 -3.077 -4.230 1.00 0.00 O ATOM 388 CB VAL A 31 0.734 -5.543 -2.513 1.00 0.00 C ATOM 389 CG1 VAL A 31 -0.338 -6.232 -1.683 1.00 0.00 C ATOM 390 CG2 VAL A 31 1.291 -6.486 -3.568 1.00 0.00 C ATOM 0 H VAL A 31 0.243 -5.141 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.659 -3.896 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 31 1.548 -5.258 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.077 -7.130 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.686 -5.555 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.175 -6.506 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.684 -7.381 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.498 -6.766 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.091 -5.988 -4.115 1.00 0.00 H new ATOM 400 N ARG A 32 1.414 -2.463 -2.137 1.00 0.00 N ATOM 401 CA ARG A 32 2.426 -1.416 -2.060 1.00 0.00 C ATOM 402 C ARG A 32 3.342 -1.633 -0.859 1.00 0.00 C ATOM 403 O ARG A 32 2.879 -1.931 0.241 1.00 0.00 O ATOM 404 CB ARG A 32 1.762 -0.041 -1.966 1.00 0.00 C ATOM 405 CG ARG A 32 2.582 0.981 -1.195 1.00 0.00 C ATOM 406 CD ARG A 32 2.377 2.385 -1.740 1.00 0.00 C ATOM 407 NE ARG A 32 3.228 3.363 -1.068 1.00 0.00 N ATOM 408 CZ ARG A 32 4.491 3.597 -1.409 1.00 0.00 C ATOM 409 NH1 ARG A 32 5.045 2.927 -2.410 1.00 0.00 N ATOM 410 NH2 ARG A 32 5.201 4.502 -0.749 1.00 0.00 N ATOM 0 H ARG A 32 0.844 -2.562 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 32 3.028 -1.460 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.582 0.335 -2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.789 -0.149 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.302 0.954 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.638 0.718 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.590 2.393 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.332 2.671 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 32 2.831 3.896 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.502 2.230 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.014 3.108 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.778 5.019 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.170 4.681 -1.012 1.00 0.00 H new ATOM 424 N GLN A 33 4.644 -1.481 -1.080 1.00 0.00 N ATOM 425 CA GLN A 33 5.625 -1.662 -0.016 1.00 0.00 C ATOM 426 C GLN A 33 6.102 -0.316 0.519 1.00 0.00 C ATOM 427 O GLN A 33 6.277 0.639 -0.239 1.00 0.00 O ATOM 428 CB GLN A 33 6.818 -2.472 -0.526 1.00 0.00 C ATOM 429 CG GLN A 33 7.769 -2.912 0.575 1.00 0.00 C ATOM 430 CD GLN A 33 8.390 -4.268 0.302 1.00 0.00 C ATOM 431 OE1 GLN A 33 8.476 -4.705 -0.846 1.00 0.00 O ATOM 432 NE2 GLN A 33 8.827 -4.943 1.359 1.00 0.00 N ATOM 0 H GLN A 33 5.044 -1.233 -1.985 1.00 0.00 H new ATOM 0 HA GLN A 33 5.145 -2.207 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.450 -3.354 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.368 -1.875 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.560 -2.170 0.685 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.231 -2.947 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.736 -4.543 2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.254 -5.861 1.237 1.00 0.00 H new ATOM 441 N LEU A 34 6.309 -0.246 1.830 1.00 0.00 N ATOM 442 CA LEU A 34 6.765 0.984 2.468 1.00 0.00 C ATOM 443 C LEU A 34 8.266 0.935 2.735 1.00 0.00 C ATOM 444 O LEU A 34 8.880 -0.132 2.768 1.00 0.00 O ATOM 445 CB LEU A 34 6.009 1.213 3.778 1.00 0.00 C ATOM 446 CG LEU A 34 4.593 1.775 3.647 1.00 0.00 C ATOM 447 CD1 LEU A 34 4.042 2.157 5.011 1.00 0.00 C ATOM 448 CD2 LEU A 34 4.580 2.974 2.710 1.00 0.00 C ATOM 0 H LEU A 34 6.168 -1.026 2.471 1.00 0.00 H new ATOM 0 HA LEU A 34 6.563 1.813 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.954 0.265 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.593 1.894 4.397 1.00 0.00 H new ATOM 0 HG LEU A 34 3.953 1.001 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.034 2.555 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.014 1.276 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.682 2.915 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.564 3.361 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.234 3.751 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.932 2.669 1.724 1.00 0.00 H new ATOM 460 N PRO A 35 8.871 2.115 2.933 1.00 0.00 N ATOM 461 CA PRO A 35 10.307 2.233 3.204 1.00 0.00 C ATOM 462 C PRO A 35 10.682 1.699 4.582 1.00 0.00 C ATOM 463 O PRO A 35 11.829 1.821 5.015 1.00 0.00 O ATOM 464 CB PRO A 35 10.560 3.741 3.127 1.00 0.00 C ATOM 465 CG PRO A 35 9.245 4.362 3.449 1.00 0.00 C ATOM 466 CD PRO A 35 8.200 3.426 2.907 1.00 0.00 C ATOM 0 HA PRO A 35 10.904 1.651 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.328 4.050 3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 35 10.904 4.035 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.129 4.495 4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.158 5.349 2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.300 3.429 3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.897 3.703 1.897 1.00 0.00 H new ATOM 474 N CYS A 36 9.710 1.106 5.267 1.00 0.00 N ATOM 475 CA CYS A 36 9.938 0.553 6.596 1.00 0.00 C ATOM 476 C CYS A 36 9.798 -0.966 6.584 1.00 0.00 C ATOM 477 O CYS A 36 9.739 -1.603 7.635 1.00 0.00 O ATOM 478 CB CYS A 36 8.954 1.159 7.599 1.00 0.00 C ATOM 479 SG CYS A 36 7.234 1.230 7.003 1.00 0.00 S ATOM 0 H CYS A 36 8.756 0.996 4.923 1.00 0.00 H new ATOM 0 HA CYS A 36 10.955 0.804 6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.985 0.576 8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.282 2.168 7.850 1.00 0.00 H new ATOM 484 N ASN A 37 9.747 -1.541 5.387 1.00 0.00 N ATOM 485 CA ASN A 37 9.615 -2.986 5.237 1.00 0.00 C ATOM 486 C ASN A 37 8.192 -3.437 5.555 1.00 0.00 C ATOM 487 O ASN A 37 7.977 -4.541 6.056 1.00 0.00 O ATOM 488 CB ASN A 37 10.607 -3.707 6.151 1.00 0.00 C ATOM 489 CG ASN A 37 11.866 -2.897 6.392 1.00 0.00 C ATOM 490 OD1 ASN A 37 12.284 -2.111 5.541 1.00 0.00 O ATOM 491 ND2 ASN A 37 12.478 -3.086 7.555 1.00 0.00 N ATOM 0 H ASN A 37 9.795 -1.028 4.506 1.00 0.00 H new ATOM 0 HA ASN A 37 9.835 -3.241 4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.127 -3.921 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.875 -4.666 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.330 -2.570 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.096 -3.748 8.231 1.00 0.00 H new ATOM 498 N HIS A 38 7.224 -2.575 5.260 1.00 0.00 N ATOM 499 CA HIS A 38 5.821 -2.886 5.513 1.00 0.00 C ATOM 500 C HIS A 38 4.993 -2.732 4.241 1.00 0.00 C ATOM 501 O HIS A 38 5.018 -1.685 3.594 1.00 0.00 O ATOM 502 CB HIS A 38 5.266 -1.977 6.610 1.00 0.00 C ATOM 503 CG HIS A 38 5.794 -2.294 7.975 1.00 0.00 C ATOM 504 ND1 HIS A 38 6.225 -1.327 8.859 1.00 0.00 N ATOM 505 CD2 HIS A 38 5.959 -3.480 8.607 1.00 0.00 C ATOM 506 CE1 HIS A 38 6.633 -1.904 9.975 1.00 0.00 C ATOM 507 NE2 HIS A 38 6.481 -3.210 9.848 1.00 0.00 N ATOM 0 H HIS A 38 7.385 -1.657 4.846 1.00 0.00 H new ATOM 0 HA HIS A 38 5.757 -3.923 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.506 -0.942 6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.179 -2.058 6.622 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.724 -4.456 8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.024 -1.395 10.843 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.714 -3.905 10.557 1.00 0.00 H new ATOM 515 N LEU A 39 4.261 -3.783 3.888 1.00 0.00 N ATOM 516 CA LEU A 39 3.425 -3.765 2.692 1.00 0.00 C ATOM 517 C LEU A 39 1.977 -3.438 3.044 1.00 0.00 C ATOM 518 O LEU A 39 1.540 -3.647 4.176 1.00 0.00 O ATOM 519 CB LEU A 39 3.494 -5.116 1.977 1.00 0.00 C ATOM 520 CG LEU A 39 4.695 -5.325 1.054 1.00 0.00 C ATOM 521 CD1 LEU A 39 5.061 -6.800 0.980 1.00 0.00 C ATOM 522 CD2 LEU A 39 4.401 -4.777 -0.335 1.00 0.00 C ATOM 0 H LEU A 39 4.229 -4.658 4.412 1.00 0.00 H new ATOM 0 HA LEU A 39 3.803 -2.988 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.498 -5.904 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.584 -5.241 1.390 1.00 0.00 H new ATOM 0 HG LEU A 39 5.545 -4.781 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.918 -6.930 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.314 -7.163 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.214 -7.366 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.266 -4.934 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.538 -5.294 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.188 -3.710 -0.268 1.00 0.00 H new ATOM 534 N PHE A 40 1.237 -2.925 2.067 1.00 0.00 N ATOM 535 CA PHE A 40 -0.162 -2.569 2.273 1.00 0.00 C ATOM 536 C PHE A 40 -0.914 -2.530 0.946 1.00 0.00 C ATOM 537 O PHE A 40 -0.364 -2.132 -0.081 1.00 0.00 O ATOM 538 CB PHE A 40 -0.268 -1.212 2.972 1.00 0.00 C ATOM 539 CG PHE A 40 0.582 -1.106 4.206 1.00 0.00 C ATOM 540 CD1 PHE A 40 1.957 -0.965 4.106 1.00 0.00 C ATOM 541 CD2 PHE A 40 0.007 -1.146 5.466 1.00 0.00 C ATOM 542 CE1 PHE A 40 2.741 -0.867 5.240 1.00 0.00 C ATOM 543 CE2 PHE A 40 0.786 -1.049 6.603 1.00 0.00 C ATOM 544 CZ PHE A 40 2.155 -0.908 6.490 1.00 0.00 C ATOM 0 H PHE A 40 1.583 -2.746 1.124 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.616 -3.332 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.022 -0.428 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.309 -1.031 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.421 -0.931 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.063 -1.254 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.812 -0.758 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.325 -1.083 7.579 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.766 -0.830 7.377 1.00 0.00 H new ATOM 554 N HIS A 41 -2.176 -2.947 0.976 1.00 0.00 N ATOM 555 CA HIS A 41 -3.006 -2.961 -0.224 1.00 0.00 C ATOM 556 C HIS A 41 -2.966 -1.607 -0.926 1.00 0.00 C ATOM 557 O HIS A 41 -3.065 -0.561 -0.285 1.00 0.00 O ATOM 558 CB HIS A 41 -4.448 -3.322 0.132 1.00 0.00 C ATOM 559 CG HIS A 41 -4.647 -4.779 0.418 1.00 0.00 C ATOM 560 ND1 HIS A 41 -5.355 -5.242 1.506 1.00 0.00 N ATOM 561 CD2 HIS A 41 -4.227 -5.878 -0.252 1.00 0.00 C ATOM 562 CE1 HIS A 41 -5.361 -6.563 1.495 1.00 0.00 C ATOM 563 NE2 HIS A 41 -4.684 -6.974 0.438 1.00 0.00 N ATOM 0 H HIS A 41 -2.646 -3.280 1.818 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.608 -3.715 -0.903 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -4.754 -2.744 1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.101 -3.029 -0.690 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.642 -5.890 -1.160 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.838 -7.199 2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.526 -7.947 0.177 1.00 0.00 H new ATOM 571 N ASP A 42 -2.821 -1.635 -2.246 1.00 0.00 N ATOM 572 CA ASP A 42 -2.770 -0.410 -3.036 1.00 0.00 C ATOM 573 C ASP A 42 -4.073 0.373 -2.911 1.00 0.00 C ATOM 574 O ASP A 42 -4.186 1.493 -3.409 1.00 0.00 O ATOM 575 CB ASP A 42 -2.495 -0.736 -4.505 1.00 0.00 C ATOM 576 CG ASP A 42 -2.494 0.500 -5.382 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.481 1.230 -5.377 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.506 0.739 -6.073 1.00 0.00 O ATOM 0 H ASP A 42 -2.737 -2.493 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.958 0.207 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.531 -1.238 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.250 -1.434 -4.867 1.00 0.00 H new ATOM 583 N SER A 43 -5.055 -0.225 -2.244 1.00 0.00 N ATOM 584 CA SER A 43 -6.352 0.414 -2.058 1.00 0.00 C ATOM 585 C SER A 43 -6.586 0.752 -0.589 1.00 0.00 C ATOM 586 O SER A 43 -7.583 1.382 -0.235 1.00 0.00 O ATOM 587 CB SER A 43 -7.471 -0.497 -2.567 1.00 0.00 C ATOM 588 OG SER A 43 -8.743 -0.005 -2.184 1.00 0.00 O ATOM 0 H SER A 43 -4.977 -1.151 -1.824 1.00 0.00 H new ATOM 0 HA SER A 43 -6.358 1.341 -2.632 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.418 -0.571 -3.653 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.333 -1.503 -2.172 1.00 0.00 H new ATOM 0 HG SER A 43 -8.633 0.827 -1.678 1.00 0.00 H new ATOM 594 N CYS A 44 -5.659 0.328 0.264 1.00 0.00 N ATOM 595 CA CYS A 44 -5.761 0.584 1.695 1.00 0.00 C ATOM 596 C CYS A 44 -4.744 1.633 2.135 1.00 0.00 C ATOM 597 O CYS A 44 -5.005 2.424 3.042 1.00 0.00 O ATOM 598 CB CYS A 44 -5.547 -0.711 2.483 1.00 0.00 C ATOM 599 SG CYS A 44 -6.871 -1.943 2.261 1.00 0.00 S ATOM 0 H CYS A 44 -4.828 -0.195 -0.012 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.761 0.965 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.598 -1.155 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.464 -0.470 3.543 1.00 0.00 H new ATOM 604 N ILE A 45 -3.585 1.633 1.486 1.00 0.00 N ATOM 605 CA ILE A 45 -2.529 2.585 1.808 1.00 0.00 C ATOM 606 C ILE A 45 -2.707 3.886 1.033 1.00 0.00 C ATOM 607 O ILE A 45 -2.615 4.976 1.598 1.00 0.00 O ATOM 608 CB ILE A 45 -1.135 2.005 1.503 1.00 0.00 C ATOM 609 CG1 ILE A 45 -0.097 2.583 2.467 1.00 0.00 C ATOM 610 CG2 ILE A 45 -0.745 2.294 0.061 1.00 0.00 C ATOM 611 CD1 ILE A 45 -0.418 2.329 3.924 1.00 0.00 C ATOM 0 H ILE A 45 -3.353 0.984 0.734 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.603 2.788 2.876 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.169 0.924 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.878 2.154 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.019 3.658 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.242 1.878 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.473 1.840 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.724 3.372 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.360 2.766 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.378 2.782 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.467 1.255 4.104 1.00 0.00 H new ATOM 623 N VAL A 46 -2.963 3.764 -0.266 1.00 0.00 N ATOM 624 CA VAL A 46 -3.157 4.931 -1.120 1.00 0.00 C ATOM 625 C VAL A 46 -4.013 5.984 -0.425 1.00 0.00 C ATOM 626 O VAL A 46 -3.606 7.133 -0.250 1.00 0.00 O ATOM 627 CB VAL A 46 -3.821 4.545 -2.455 1.00 0.00 C ATOM 628 CG1 VAL A 46 -4.726 5.665 -2.945 1.00 0.00 C ATOM 629 CG2 VAL A 46 -2.765 4.207 -3.496 1.00 0.00 C ATOM 0 H VAL A 46 -3.041 2.870 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.169 5.345 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.435 3.659 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.186 5.374 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.504 5.854 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.137 6.570 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.251 3.936 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.123 5.073 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.163 3.369 -3.145 1.00 0.00 H new ATOM 639 N PRO A 47 -5.227 5.586 -0.019 1.00 0.00 N ATOM 640 CA PRO A 47 -6.166 6.480 0.665 1.00 0.00 C ATOM 641 C PRO A 47 -5.704 6.839 2.073 1.00 0.00 C ATOM 642 O PRO A 47 -6.212 7.781 2.682 1.00 0.00 O ATOM 643 CB PRO A 47 -7.460 5.663 0.718 1.00 0.00 C ATOM 644 CG PRO A 47 -7.013 4.243 0.662 1.00 0.00 C ATOM 645 CD PRO A 47 -5.777 4.231 -0.194 1.00 0.00 C ATOM 0 HA PRO A 47 -6.270 7.434 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.020 5.866 1.631 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.116 5.905 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.800 3.861 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.789 3.606 0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.071 3.466 0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.013 4.025 -1.238 1.00 0.00 H new ATOM 653 N TRP A 48 -4.740 6.082 2.585 1.00 0.00 N ATOM 654 CA TRP A 48 -4.210 6.321 3.923 1.00 0.00 C ATOM 655 C TRP A 48 -3.139 7.406 3.898 1.00 0.00 C ATOM 656 O TRP A 48 -3.264 8.431 4.570 1.00 0.00 O ATOM 657 CB TRP A 48 -3.632 5.030 4.503 1.00 0.00 C ATOM 658 CG TRP A 48 -2.950 5.224 5.823 1.00 0.00 C ATOM 659 CD1 TRP A 48 -1.615 5.416 6.036 1.00 0.00 C ATOM 660 CD2 TRP A 48 -3.571 5.244 7.113 1.00 0.00 C ATOM 661 NE1 TRP A 48 -1.369 5.554 7.381 1.00 0.00 N ATOM 662 CE2 TRP A 48 -2.552 5.453 8.063 1.00 0.00 C ATOM 663 CE3 TRP A 48 -4.889 5.108 7.558 1.00 0.00 C ATOM 664 CZ2 TRP A 48 -2.812 5.527 9.429 1.00 0.00 C ATOM 665 CZ3 TRP A 48 -5.145 5.181 8.914 1.00 0.00 C ATOM 666 CH2 TRP A 48 -4.111 5.390 9.836 1.00 0.00 C ATOM 0 H TRP A 48 -4.310 5.298 2.094 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.030 6.660 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.435 4.302 4.621 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.920 4.608 3.793 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.863 5.454 5.262 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -0.453 5.707 7.803 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.693 4.949 6.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.017 5.687 10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.159 5.075 9.269 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.344 5.444 10.889 1.00 0.00 H new ATOM 677 N LEU A 49 -2.088 7.176 3.119 1.00 0.00 N ATOM 678 CA LEU A 49 -0.994 8.135 3.007 1.00 0.00 C ATOM 679 C LEU A 49 -1.512 9.504 2.577 1.00 0.00 C ATOM 680 O LEU A 49 -0.948 10.534 2.943 1.00 0.00 O ATOM 681 CB LEU A 49 0.049 7.634 2.006 1.00 0.00 C ATOM 682 CG LEU A 49 0.432 6.159 2.118 1.00 0.00 C ATOM 683 CD1 LEU A 49 1.434 5.784 1.037 1.00 0.00 C ATOM 684 CD2 LEU A 49 0.997 5.858 3.499 1.00 0.00 C ATOM 0 H LEU A 49 -1.970 6.334 2.556 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.529 8.235 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.327 7.816 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.952 8.233 2.122 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.466 5.558 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.695 4.730 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.994 5.961 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.332 6.392 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.264 4.803 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.884 6.468 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.248 6.087 4.257 1.00 0.00 H new ATOM 696 N GLU A 50 -2.591 9.505 1.800 1.00 0.00 N ATOM 697 CA GLU A 50 -3.186 10.748 1.322 1.00 0.00 C ATOM 698 C GLU A 50 -3.849 11.509 2.467 1.00 0.00 C ATOM 699 O GLU A 50 -4.352 12.617 2.279 1.00 0.00 O ATOM 700 CB GLU A 50 -4.213 10.459 0.225 1.00 0.00 C ATOM 701 CG GLU A 50 -3.589 10.131 -1.121 1.00 0.00 C ATOM 702 CD GLU A 50 -3.373 11.362 -1.979 1.00 0.00 C ATOM 703 OE1 GLU A 50 -2.325 12.022 -1.816 1.00 0.00 O ATOM 704 OE2 GLU A 50 -4.250 11.666 -2.814 1.00 0.00 O ATOM 0 H GLU A 50 -3.070 8.660 1.489 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.389 11.367 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.841 9.625 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.865 11.325 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.633 9.631 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.231 9.429 -1.654 1.00 0.00 H new ATOM 711 N GLN A 51 -3.844 10.907 3.651 1.00 0.00 N ATOM 712 CA GLN A 51 -4.446 11.527 4.826 1.00 0.00 C ATOM 713 C GLN A 51 -3.431 11.650 5.957 1.00 0.00 C ATOM 714 O GLN A 51 -3.363 12.675 6.636 1.00 0.00 O ATOM 715 CB GLN A 51 -5.654 10.715 5.295 1.00 0.00 C ATOM 716 CG GLN A 51 -6.930 11.023 4.527 1.00 0.00 C ATOM 717 CD GLN A 51 -8.177 10.840 5.370 1.00 0.00 C ATOM 718 OE1 GLN A 51 -8.820 11.812 5.766 1.00 0.00 O ATOM 719 NE2 GLN A 51 -8.525 9.589 5.649 1.00 0.00 N ATOM 0 H GLN A 51 -3.430 9.991 3.823 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.776 12.528 4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.428 9.653 5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.822 10.908 6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.891 12.049 4.161 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.989 10.375 3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.962 8.813 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.355 9.404 6.212 1.00 0.00 H new ATOM 728 N HIS A 52 -2.642 10.598 6.155 1.00 0.00 N ATOM 729 CA HIS A 52 -1.630 10.589 7.205 1.00 0.00 C ATOM 730 C HIS A 52 -0.230 10.720 6.611 1.00 0.00 C ATOM 731 O HIS A 52 0.682 11.238 7.255 1.00 0.00 O ATOM 732 CB HIS A 52 -1.729 9.303 8.027 1.00 0.00 C ATOM 733 CG HIS A 52 -3.136 8.908 8.353 1.00 0.00 C ATOM 734 ND1 HIS A 52 -3.728 9.170 9.571 1.00 0.00 N ATOM 735 CD2 HIS A 52 -4.071 8.269 7.611 1.00 0.00 C ATOM 736 CE1 HIS A 52 -4.966 8.707 9.565 1.00 0.00 C ATOM 737 NE2 HIS A 52 -5.199 8.156 8.387 1.00 0.00 N ATOM 0 H HIS A 52 -2.684 9.742 5.602 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.811 11.443 7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.251 8.492 7.477 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.172 9.431 8.955 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.952 7.914 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.668 8.769 10.384 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.074 7.718 8.100 1.00 0.00 H new ATOM 745 N ASP A 53 -0.069 10.246 5.380 1.00 0.00 N ATOM 746 CA ASP A 53 1.219 10.310 4.699 1.00 0.00 C ATOM 747 C ASP A 53 2.288 9.557 5.485 1.00 0.00 C ATOM 748 O ASP A 53 3.450 9.963 5.518 1.00 0.00 O ATOM 749 CB ASP A 53 1.644 11.767 4.503 1.00 0.00 C ATOM 750 CG ASP A 53 0.952 12.417 3.321 1.00 0.00 C ATOM 751 OD1 ASP A 53 1.206 11.989 2.175 1.00 0.00 O ATOM 752 OD2 ASP A 53 0.157 13.354 3.542 1.00 0.00 O ATOM 0 H ASP A 53 -0.814 9.814 4.834 1.00 0.00 H new ATOM 0 HA ASP A 53 1.110 9.836 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.420 12.333 5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.723 11.811 4.358 1.00 0.00 H new ATOM 757 N SER A 54 1.886 8.460 6.118 1.00 0.00 N ATOM 758 CA SER A 54 2.808 7.652 6.908 1.00 0.00 C ATOM 759 C SER A 54 2.333 6.205 6.987 1.00 0.00 C ATOM 760 O SER A 54 1.299 5.847 6.422 1.00 0.00 O ATOM 761 CB SER A 54 2.949 8.233 8.317 1.00 0.00 C ATOM 762 OG SER A 54 3.197 9.627 8.271 1.00 0.00 O ATOM 0 H SER A 54 0.928 8.110 6.099 1.00 0.00 H new ATOM 0 HA SER A 54 3.781 7.669 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.039 8.041 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.764 7.733 8.840 1.00 0.00 H new ATOM 0 HG SER A 54 3.282 9.974 9.183 1.00 0.00 H new ATOM 768 N CYS A 55 3.094 5.376 7.694 1.00 0.00 N ATOM 769 CA CYS A 55 2.753 3.967 7.848 1.00 0.00 C ATOM 770 C CYS A 55 1.694 3.780 8.931 1.00 0.00 C ATOM 771 O CYS A 55 1.855 4.212 10.073 1.00 0.00 O ATOM 772 CB CYS A 55 4.002 3.153 8.193 1.00 0.00 C ATOM 773 SG CYS A 55 3.699 1.365 8.367 1.00 0.00 S ATOM 0 H CYS A 55 3.952 5.656 8.170 1.00 0.00 H new ATOM 0 HA CYS A 55 2.346 3.611 6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.751 3.310 7.417 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.424 3.532 9.124 1.00 0.00 H new ATOM 778 N PRO A 56 0.586 3.119 8.567 1.00 0.00 N ATOM 779 CA PRO A 56 -0.521 2.857 9.492 1.00 0.00 C ATOM 780 C PRO A 56 -0.150 1.841 10.567 1.00 0.00 C ATOM 781 O PRO A 56 -0.986 1.452 11.382 1.00 0.00 O ATOM 782 CB PRO A 56 -1.619 2.299 8.584 1.00 0.00 C ATOM 783 CG PRO A 56 -0.890 1.714 7.424 1.00 0.00 C ATOM 784 CD PRO A 56 0.327 2.575 7.223 1.00 0.00 C ATOM 0 HA PRO A 56 -0.816 3.753 10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.213 1.545 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.306 3.083 8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.608 0.680 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.516 1.709 6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.173 1.995 6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.143 3.367 6.497 1.00 0.00 H new ATOM 792 N VAL A 57 1.109 1.414 10.562 1.00 0.00 N ATOM 793 CA VAL A 57 1.591 0.443 11.537 1.00 0.00 C ATOM 794 C VAL A 57 2.640 1.061 12.455 1.00 0.00 C ATOM 795 O VAL A 57 2.442 1.156 13.667 1.00 0.00 O ATOM 796 CB VAL A 57 2.194 -0.794 10.847 1.00 0.00 C ATOM 797 CG1 VAL A 57 2.798 -1.739 11.875 1.00 0.00 C ATOM 798 CG2 VAL A 57 1.139 -1.505 10.012 1.00 0.00 C ATOM 0 H VAL A 57 1.814 1.725 9.893 1.00 0.00 H new ATOM 0 HA VAL A 57 0.729 0.135 12.129 1.00 0.00 H new ATOM 0 HB VAL A 57 2.991 -0.464 10.181 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.219 -2.607 11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.585 -1.223 12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.023 -2.065 12.569 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.582 -2.377 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.319 -1.823 10.656 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.759 -0.825 9.250 1.00 0.00 H new ATOM 808 N CYS A 58 3.756 1.482 11.870 1.00 0.00 N ATOM 809 CA CYS A 58 4.838 2.091 12.634 1.00 0.00 C ATOM 810 C CYS A 58 4.862 3.603 12.431 1.00 0.00 C ATOM 811 O CYS A 58 5.515 4.330 13.181 1.00 0.00 O ATOM 812 CB CYS A 58 6.183 1.489 12.224 1.00 0.00 C ATOM 813 SG CYS A 58 6.640 1.804 10.489 1.00 0.00 S ATOM 0 H CYS A 58 3.935 1.412 10.868 1.00 0.00 H new ATOM 0 HA CYS A 58 4.663 1.886 13.690 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.962 1.891 12.872 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.153 0.412 12.391 1.00 0.00 H new ATOM 818 N ARG A 59 4.147 4.070 11.413 1.00 0.00 N ATOM 819 CA ARG A 59 4.087 5.495 11.110 1.00 0.00 C ATOM 820 C ARG A 59 5.485 6.058 10.868 1.00 0.00 C ATOM 821 O ARG A 59 5.851 7.097 11.418 1.00 0.00 O ATOM 822 CB ARG A 59 3.411 6.253 12.254 1.00 0.00 C ATOM 823 CG ARG A 59 1.987 5.797 12.528 1.00 0.00 C ATOM 824 CD ARG A 59 1.014 6.364 11.506 1.00 0.00 C ATOM 825 NE ARG A 59 0.491 7.666 11.911 1.00 0.00 N ATOM 826 CZ ARG A 59 -0.520 7.820 12.758 1.00 0.00 C ATOM 827 NH1 ARG A 59 -1.113 6.759 13.288 1.00 0.00 N ATOM 828 NH2 ARG A 59 -0.939 9.038 13.078 1.00 0.00 N ATOM 0 H ARG A 59 3.601 3.482 10.784 1.00 0.00 H new ATOM 0 HA ARG A 59 3.500 5.624 10.201 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.004 6.130 13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.404 7.317 12.019 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.943 4.708 12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.689 6.111 13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.515 6.458 10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.187 5.668 11.368 1.00 0.00 H new ATOM 0 HE ARG A 59 0.926 8.503 11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.793 5.821 13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.889 6.880 13.938 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.484 9.856 12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.716 9.156 13.729 1.00 0.00 H new ATOM 842 N LYS A 60 6.262 5.365 10.043 1.00 0.00 N ATOM 843 CA LYS A 60 7.618 5.795 9.726 1.00 0.00 C ATOM 844 C LYS A 60 7.605 6.935 8.713 1.00 0.00 C ATOM 845 O LYS A 60 7.201 6.753 7.565 1.00 0.00 O ATOM 846 CB LYS A 60 8.433 4.621 9.179 1.00 0.00 C ATOM 847 CG LYS A 60 9.934 4.855 9.209 1.00 0.00 C ATOM 848 CD LYS A 60 10.545 4.384 10.518 1.00 0.00 C ATOM 849 CE LYS A 60 11.768 5.207 10.891 1.00 0.00 C ATOM 850 NZ LYS A 60 13.021 4.623 10.336 1.00 0.00 N ATOM 0 H LYS A 60 5.975 4.502 9.581 1.00 0.00 H new ATOM 0 HA LYS A 60 8.082 6.154 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.202 3.728 9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.125 4.423 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.402 4.328 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.141 5.916 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.802 4.453 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.824 3.334 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.647 6.225 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.846 5.269 11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.831 5.213 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.150 3.661 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.957 4.587 9.299 1.00 0.00 H new ATOM 864 N SER A 61 8.052 8.110 9.145 1.00 0.00 N ATOM 865 CA SER A 61 8.090 9.280 8.275 1.00 0.00 C ATOM 866 C SER A 61 8.458 8.885 6.848 1.00 0.00 C ATOM 867 O SER A 61 9.561 8.400 6.591 1.00 0.00 O ATOM 868 CB SER A 61 9.092 10.306 8.808 1.00 0.00 C ATOM 869 OG SER A 61 9.387 11.287 7.829 1.00 0.00 O ATOM 0 H SER A 61 8.393 8.277 10.092 1.00 0.00 H new ATOM 0 HA SER A 61 7.096 9.726 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.686 10.787 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.010 9.800 9.109 1.00 0.00 H new ATOM 0 HG SER A 61 10.028 11.932 8.195 1.00 0.00 H new ATOM 875 N LEU A 62 7.528 9.097 5.924 1.00 0.00 N ATOM 876 CA LEU A 62 7.754 8.763 4.522 1.00 0.00 C ATOM 877 C LEU A 62 8.195 9.992 3.734 1.00 0.00 C ATOM 878 O LEU A 62 7.777 10.196 2.594 1.00 0.00 O ATOM 879 CB LEU A 62 6.482 8.178 3.905 1.00 0.00 C ATOM 880 CG LEU A 62 5.815 7.047 4.689 1.00 0.00 C ATOM 881 CD1 LEU A 62 4.441 6.737 4.115 1.00 0.00 C ATOM 882 CD2 LEU A 62 6.692 5.803 4.680 1.00 0.00 C ATOM 0 H LEU A 62 6.611 9.498 6.120 1.00 0.00 H new ATOM 0 HA LEU A 62 8.549 8.019 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.758 8.984 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.722 7.810 2.908 1.00 0.00 H new ATOM 0 HG LEU A 62 5.689 7.372 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.982 5.930 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.813 7.626 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.542 6.433 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.202 5.008 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.849 5.476 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.654 6.032 5.139 1.00 0.00 H new ATOM 894 N THR A 63 9.045 10.809 4.349 1.00 0.00 N ATOM 895 CA THR A 63 9.545 12.017 3.705 1.00 0.00 C ATOM 896 C THR A 63 11.014 12.251 4.038 1.00 0.00 C ATOM 897 O THR A 63 11.435 12.083 5.182 1.00 0.00 O ATOM 898 CB THR A 63 8.732 13.256 4.127 1.00 0.00 C ATOM 899 OG1 THR A 63 9.295 14.435 3.541 1.00 0.00 O ATOM 900 CG2 THR A 63 8.708 13.397 5.641 1.00 0.00 C ATOM 0 H THR A 63 9.401 10.656 5.292 1.00 0.00 H new ATOM 0 HA THR A 63 9.438 11.869 2.630 1.00 0.00 H new ATOM 0 HB THR A 63 7.709 13.129 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.771 15.217 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.128 14.278 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.251 12.511 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.727 13.503 6.013 1.00 0.00 H new ATOM 908 N GLY A 64 11.790 12.639 3.031 1.00 0.00 N ATOM 909 CA GLY A 64 13.205 12.890 3.239 1.00 0.00 C ATOM 910 C GLY A 64 14.075 12.175 2.224 1.00 0.00 C ATOM 911 O GLY A 64 15.126 11.635 2.570 1.00 0.00 O ATOM 0 H GLY A 64 11.465 12.784 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.393 13.962 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.484 12.569 4.243 1.00 0.00 H new ATOM 915 N GLN A 65 13.636 12.170 0.969 1.00 0.00 N ATOM 916 CA GLN A 65 14.383 11.513 -0.098 1.00 0.00 C ATOM 917 C GLN A 65 13.825 11.894 -1.465 1.00 0.00 C ATOM 918 O GLN A 65 12.631 12.152 -1.610 1.00 0.00 O ATOM 919 CB GLN A 65 14.338 9.995 0.080 1.00 0.00 C ATOM 920 CG GLN A 65 15.560 9.281 -0.475 1.00 0.00 C ATOM 921 CD GLN A 65 16.861 9.870 0.036 1.00 0.00 C ATOM 922 OE1 GLN A 65 17.455 10.740 -0.602 1.00 0.00 O ATOM 923 NE2 GLN A 65 17.311 9.397 1.192 1.00 0.00 N ATOM 0 H GLN A 65 12.768 12.613 0.666 1.00 0.00 H new ATOM 0 HA GLN A 65 15.419 11.847 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.244 9.765 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.446 9.606 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.513 8.226 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.544 9.334 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.786 8.676 1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 65 18.181 9.755 1.585 1.00 0.00 H new ATOM 932 N ASN A 66 14.699 11.928 -2.466 1.00 0.00 N ATOM 933 CA ASN A 66 14.294 12.278 -3.823 1.00 0.00 C ATOM 934 C ASN A 66 13.301 11.260 -4.374 1.00 0.00 C ATOM 935 O ASN A 66 13.606 10.071 -4.479 1.00 0.00 O ATOM 936 CB ASN A 66 15.518 12.360 -4.738 1.00 0.00 C ATOM 937 CG ASN A 66 15.208 13.038 -6.058 1.00 0.00 C ATOM 938 OD1 ASN A 66 14.671 14.146 -6.089 1.00 0.00 O ATOM 939 ND2 ASN A 66 15.546 12.374 -7.157 1.00 0.00 N ATOM 0 H ASN A 66 15.692 11.718 -2.363 1.00 0.00 H new ATOM 0 HA ASN A 66 13.807 13.253 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.312 12.906 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.894 11.355 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.363 12.780 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.989 11.458 -7.084 1.00 0.00 H new ATOM 946 N THR A 67 12.110 11.734 -4.727 1.00 0.00 N ATOM 947 CA THR A 67 11.071 10.866 -5.267 1.00 0.00 C ATOM 948 C THR A 67 10.101 11.649 -6.145 1.00 0.00 C ATOM 949 O THR A 67 9.540 12.658 -5.718 1.00 0.00 O ATOM 950 CB THR A 67 10.280 10.170 -4.143 1.00 0.00 C ATOM 951 OG1 THR A 67 11.184 9.567 -3.210 1.00 0.00 O ATOM 952 CG2 THR A 67 9.350 9.110 -4.713 1.00 0.00 C ATOM 0 H THR A 67 11.841 12.715 -4.648 1.00 0.00 H new ATOM 0 HA THR A 67 11.574 10.110 -5.870 1.00 0.00 H new ATOM 0 HB THR A 67 9.678 10.922 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.674 9.128 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.802 8.632 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.645 9.576 -5.401 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.936 8.361 -5.246 1.00 0.00 H new ATOM 960 N ALA A 68 9.909 11.178 -7.372 1.00 0.00 N ATOM 961 CA ALA A 68 9.005 11.834 -8.309 1.00 0.00 C ATOM 962 C ALA A 68 7.565 11.382 -8.089 1.00 0.00 C ATOM 963 O ALA A 68 6.835 11.112 -9.043 1.00 0.00 O ATOM 964 CB ALA A 68 9.435 11.554 -9.741 1.00 0.00 C ATOM 0 H ALA A 68 10.367 10.345 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 68 9.053 12.908 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.751 12.050 -10.430 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.445 11.932 -9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.417 10.479 -9.923 1.00 0.00 H new ATOM 970 N THR A 69 7.161 11.301 -6.825 1.00 0.00 N ATOM 971 CA THR A 69 5.809 10.881 -6.480 1.00 0.00 C ATOM 972 C THR A 69 4.881 12.081 -6.330 1.00 0.00 C ATOM 973 O THR A 69 5.292 13.140 -5.858 1.00 0.00 O ATOM 974 CB THR A 69 5.791 10.066 -5.173 1.00 0.00 C ATOM 975 OG1 THR A 69 4.501 9.473 -4.983 1.00 0.00 O ATOM 976 CG2 THR A 69 6.130 10.947 -3.981 1.00 0.00 C ATOM 0 H THR A 69 7.752 11.521 -6.023 1.00 0.00 H new ATOM 0 HA THR A 69 5.455 10.252 -7.297 1.00 0.00 H new ATOM 0 HB THR A 69 6.544 9.281 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.498 8.955 -4.151 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.111 10.349 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.124 11.373 -4.115 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.398 11.751 -3.903 1.00 0.00 H new ATOM 984 N ASN A 70 3.627 11.907 -6.734 1.00 0.00 N ATOM 985 CA ASN A 70 2.640 12.977 -6.645 1.00 0.00 C ATOM 986 C ASN A 70 2.441 13.414 -5.196 1.00 0.00 C ATOM 987 O ASN A 70 2.614 12.635 -4.258 1.00 0.00 O ATOM 988 CB ASN A 70 1.306 12.520 -7.239 1.00 0.00 C ATOM 989 CG ASN A 70 1.402 12.239 -8.726 1.00 0.00 C ATOM 990 OD1 ASN A 70 2.024 11.262 -9.146 1.00 0.00 O ATOM 991 ND2 ASN A 70 0.784 13.095 -9.531 1.00 0.00 N ATOM 0 H ASN A 70 3.270 11.036 -7.126 1.00 0.00 H new ATOM 0 HA ASN A 70 3.011 13.828 -7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.971 11.620 -6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.552 13.287 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.813 12.957 -10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.280 13.891 -9.139 1.00 0.00 H new ATOM 998 N PRO A 71 2.069 14.689 -5.009 1.00 0.00 N ATOM 999 CA PRO A 71 1.837 15.258 -3.678 1.00 0.00 C ATOM 1000 C PRO A 71 0.586 14.692 -3.015 1.00 0.00 C ATOM 1001 O PRO A 71 -0.221 14.004 -3.641 1.00 0.00 O ATOM 1002 CB PRO A 71 1.666 16.753 -3.956 1.00 0.00 C ATOM 1003 CG PRO A 71 1.192 16.823 -5.367 1.00 0.00 C ATOM 1004 CD PRO A 71 1.845 15.672 -6.081 1.00 0.00 C ATOM 0 HA PRO A 71 2.651 15.029 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.945 17.203 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.606 17.290 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.106 16.748 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.468 17.773 -5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.205 15.271 -6.867 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.780 15.971 -6.554 1.00 0.00 H new ATOM 1012 N PRO A 72 0.417 14.987 -1.718 1.00 0.00 N ATOM 1013 CA PRO A 72 -0.735 14.519 -0.942 1.00 0.00 C ATOM 1014 C PRO A 72 -2.033 15.197 -1.366 1.00 0.00 C ATOM 1015 O PRO A 72 -2.377 16.268 -0.868 1.00 0.00 O ATOM 1016 CB PRO A 72 -0.375 14.903 0.495 1.00 0.00 C ATOM 1017 CG PRO A 72 0.564 16.051 0.357 1.00 0.00 C ATOM 1018 CD PRO A 72 1.339 15.802 -0.908 1.00 0.00 C ATOM 0 HA PRO A 72 -0.913 13.453 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.262 15.183 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.092 14.071 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.021 16.995 0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.231 16.115 1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.599 16.734 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.273 15.276 -0.710 1.00 0.00 H new ATOM 1026 N GLY A 73 -2.752 14.565 -2.289 1.00 0.00 N ATOM 1027 CA GLY A 73 -4.005 15.122 -2.764 1.00 0.00 C ATOM 1028 C GLY A 73 -4.144 15.036 -4.271 1.00 0.00 C ATOM 1029 O GLY A 73 -3.459 15.749 -5.007 1.00 0.00 O ATOM 0 H GLY A 73 -2.489 13.677 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.835 14.593 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.076 16.165 -2.455 1.00 0.00 H new ATOM 1033 N LEU A 74 -5.030 14.161 -4.733 1.00 0.00 N ATOM 1034 CA LEU A 74 -5.256 13.983 -6.163 1.00 0.00 C ATOM 1035 C LEU A 74 -6.645 14.471 -6.560 1.00 0.00 C ATOM 1036 O LEU A 74 -6.789 15.330 -7.430 1.00 0.00 O ATOM 1037 CB LEU A 74 -5.091 12.511 -6.546 1.00 0.00 C ATOM 1038 CG LEU A 74 -4.776 12.231 -8.016 1.00 0.00 C ATOM 1039 CD1 LEU A 74 -3.320 12.546 -8.319 1.00 0.00 C ATOM 1040 CD2 LEU A 74 -5.094 10.784 -8.363 1.00 0.00 C ATOM 0 H LEU A 74 -5.604 13.563 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.516 14.577 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.294 12.085 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.008 11.983 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.402 12.877 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.114 12.341 -9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.124 13.598 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.676 11.926 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.864 10.603 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.494 10.120 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.152 10.591 -8.185 1.00 0.00 H new ATOM 1052 N THR A 75 -7.668 13.918 -5.915 1.00 0.00 N ATOM 1053 CA THR A 75 -9.046 14.297 -6.199 1.00 0.00 C ATOM 1054 C THR A 75 -9.536 15.361 -5.224 1.00 0.00 C ATOM 1055 O THR A 75 -10.051 16.401 -5.632 1.00 0.00 O ATOM 1056 CB THR A 75 -9.989 13.080 -6.130 1.00 0.00 C ATOM 1057 OG1 THR A 75 -9.932 12.490 -4.827 1.00 0.00 O ATOM 1058 CG2 THR A 75 -9.613 12.044 -7.179 1.00 0.00 C ATOM 0 H THR A 75 -7.567 13.206 -5.192 1.00 0.00 H new ATOM 0 HA THR A 75 -9.060 14.702 -7.211 1.00 0.00 H new ATOM 0 HB THR A 75 -11.004 13.423 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.535 11.718 -4.791 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.292 11.194 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.686 12.488 -8.172 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.591 11.706 -7.007 1.00 0.00 H new ATOM 1066 N GLY A 76 -9.372 15.094 -3.932 1.00 0.00 N ATOM 1067 CA GLY A 76 -9.802 16.040 -2.919 1.00 0.00 C ATOM 1068 C GLY A 76 -10.028 15.383 -1.571 1.00 0.00 C ATOM 1069 O GLY A 76 -11.156 15.034 -1.223 1.00 0.00 O ATOM 0 H GLY A 76 -8.949 14.240 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.052 16.824 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.724 16.522 -3.244 1.00 0.00 H new ATOM 1073 N VAL A 77 -8.951 15.212 -0.810 1.00 0.00 N ATOM 1074 CA VAL A 77 -9.036 14.592 0.506 1.00 0.00 C ATOM 1075 C VAL A 77 -9.612 15.560 1.534 1.00 0.00 C ATOM 1076 O VAL A 77 -9.578 16.775 1.345 1.00 0.00 O ATOM 1077 CB VAL A 77 -7.655 14.109 0.990 1.00 0.00 C ATOM 1078 CG1 VAL A 77 -7.076 13.090 0.021 1.00 0.00 C ATOM 1079 CG2 VAL A 77 -6.710 15.289 1.164 1.00 0.00 C ATOM 0 H VAL A 77 -8.010 15.494 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.700 13.733 0.408 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.777 13.624 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.101 12.760 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.746 12.233 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.966 13.545 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.739 14.930 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.591 15.804 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.122 15.979 1.900 1.00 0.00 H new ATOM 1089 N GLY A 78 -10.142 15.012 2.623 1.00 0.00 N ATOM 1090 CA GLY A 78 -10.719 15.841 3.665 1.00 0.00 C ATOM 1091 C GLY A 78 -9.850 17.037 4.001 1.00 0.00 C ATOM 1092 O GLY A 78 -10.158 17.752 4.953 1.00 0.00 O ATOM 0 H GLY A 78 -10.182 14.009 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.702 16.188 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.868 15.240 4.562 1.00 0.00 H new TER 1096 GLY A 78 HETATM 1097 ZN ZN A 201 -6.102 -3.909 2.970 1.00 0.00 ZN HETATM 1098 ZN ZN A 401 5.883 0.549 8.854 1.00 0.00 ZN