USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 841 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 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 31:sc= 0.617 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -32:sc= 1.17 USER MOD Single : A 8 MET CE :methyl -171:sc= 0 (180deg=-0.0475) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.0331 (180deg=-0.36) USER MOD Single : A 20 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 24 MET CE :methyl -124:sc= -3.58 (180deg=-8.59!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 39:sc= 0.638 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.06) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -136:sc= -0.4 USER MOD Single : A 44 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.51) USER MOD Single : A 45 MET CE :methyl -112:sc= -8.95! (180deg=-13!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.7!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -36:sc= -1.04 USER MOD Single : A 53 THR OG1 : rot -92:sc= 0.0763! USER MOD Single : A 60 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.91! C(o=-3.9!,f=-1.9!) USER MOD Single : A 66 CYS SG : rot -64:sc= -5.49! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.5!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0019 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.365 -11.313 -21.926 1.00 0.00 N ATOM 2 CA GLY A 1 -10.450 -10.917 -20.530 1.00 0.00 C ATOM 3 C GLY A 1 -11.740 -10.140 -20.259 1.00 0.00 C ATOM 4 O GLY A 1 -11.880 -8.994 -20.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.482 -11.838 -22.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.176 -11.919 -22.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.377 -10.465 -22.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.414 -11.802 -19.894 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.589 -10.302 -20.270 1.00 0.00 H new ATOM 8 N SER A 2 -12.649 -10.794 -19.551 1.00 0.00 N ATOM 9 CA SER A 2 -13.922 -10.179 -19.217 1.00 0.00 C ATOM 10 C SER A 2 -13.720 -9.102 -18.149 1.00 0.00 C ATOM 11 O SER A 2 -12.754 -9.151 -17.389 1.00 0.00 O ATOM 12 CB SER A 2 -14.929 -11.224 -18.732 1.00 0.00 C ATOM 13 OG SER A 2 -16.050 -11.332 -19.606 1.00 0.00 O ATOM 0 H SER A 2 -12.529 -11.744 -19.199 1.00 0.00 H new ATOM 0 HA SER A 2 -14.324 -9.717 -20.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.436 -12.193 -18.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.273 -10.959 -17.732 1.00 0.00 H new ATOM 0 HG SER A 2 -16.668 -12.010 -19.263 1.00 0.00 H new ATOM 19 N SER A 3 -14.646 -8.155 -18.126 1.00 0.00 N ATOM 20 CA SER A 3 -14.581 -7.068 -17.163 1.00 0.00 C ATOM 21 C SER A 3 -14.608 -7.628 -15.739 1.00 0.00 C ATOM 22 O SER A 3 -15.587 -8.252 -15.333 1.00 0.00 O ATOM 23 CB SER A 3 -15.732 -6.082 -17.368 1.00 0.00 C ATOM 24 OG SER A 3 -17.001 -6.687 -17.137 1.00 0.00 O ATOM 0 H SER A 3 -15.445 -8.117 -18.758 1.00 0.00 H new ATOM 0 HA SER A 3 -13.646 -6.530 -17.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.607 -5.234 -16.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.697 -5.690 -18.385 1.00 0.00 H new ATOM 0 HG SER A 3 -16.909 -7.394 -16.465 1.00 0.00 H new ATOM 30 N GLY A 4 -13.522 -7.384 -15.021 1.00 0.00 N ATOM 31 CA GLY A 4 -13.409 -7.856 -13.651 1.00 0.00 C ATOM 32 C GLY A 4 -12.797 -6.781 -12.750 1.00 0.00 C ATOM 33 O GLY A 4 -11.625 -6.866 -12.385 1.00 0.00 O ATOM 0 H GLY A 4 -12.712 -6.866 -15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.394 -8.133 -13.275 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.793 -8.754 -13.622 1.00 0.00 H new ATOM 37 N SER A 5 -13.617 -5.796 -12.417 1.00 0.00 N ATOM 38 CA SER A 5 -13.171 -4.706 -11.566 1.00 0.00 C ATOM 39 C SER A 5 -14.094 -4.579 -10.352 1.00 0.00 C ATOM 40 O SER A 5 -15.262 -4.961 -10.413 1.00 0.00 O ATOM 41 CB SER A 5 -13.126 -3.386 -12.339 1.00 0.00 C ATOM 42 OG SER A 5 -14.425 -2.951 -12.729 1.00 0.00 O ATOM 0 H SER A 5 -14.588 -5.730 -12.721 1.00 0.00 H new ATOM 0 HA SER A 5 -12.160 -4.930 -11.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.658 -2.620 -11.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.503 -3.506 -13.225 1.00 0.00 H new ATOM 0 HG SER A 5 -14.353 -2.105 -13.218 1.00 0.00 H new ATOM 48 N SER A 6 -13.536 -4.040 -9.278 1.00 0.00 N ATOM 49 CA SER A 6 -14.294 -3.857 -8.052 1.00 0.00 C ATOM 50 C SER A 6 -14.834 -5.204 -7.565 1.00 0.00 C ATOM 51 O SER A 6 -14.788 -6.195 -8.293 1.00 0.00 O ATOM 52 CB SER A 6 -15.443 -2.868 -8.258 1.00 0.00 C ATOM 53 OG SER A 6 -16.596 -3.497 -8.811 1.00 0.00 O ATOM 0 H SER A 6 -12.567 -3.724 -9.231 1.00 0.00 H new ATOM 0 HA SER A 6 -13.627 -3.445 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.703 -2.410 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.116 -2.065 -8.919 1.00 0.00 H new ATOM 0 HG SER A 6 -16.318 -4.230 -9.400 1.00 0.00 H new ATOM 59 N GLY A 7 -15.333 -5.196 -6.338 1.00 0.00 N ATOM 60 CA GLY A 7 -15.880 -6.405 -5.745 1.00 0.00 C ATOM 61 C GLY A 7 -15.023 -6.876 -4.569 1.00 0.00 C ATOM 62 O GLY A 7 -14.358 -6.070 -3.919 1.00 0.00 O ATOM 0 H GLY A 7 -15.370 -4.372 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.899 -6.219 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.934 -7.191 -6.498 1.00 0.00 H new ATOM 66 N MET A 8 -15.066 -8.178 -4.331 1.00 0.00 N ATOM 67 CA MET A 8 -14.302 -8.766 -3.244 1.00 0.00 C ATOM 68 C MET A 8 -12.961 -9.306 -3.746 1.00 0.00 C ATOM 69 O MET A 8 -12.858 -9.760 -4.884 1.00 0.00 O ATOM 70 CB MET A 8 -15.105 -9.903 -2.610 1.00 0.00 C ATOM 71 CG MET A 8 -14.707 -10.108 -1.147 1.00 0.00 C ATOM 72 SD MET A 8 -15.817 -9.206 -0.080 1.00 0.00 S ATOM 73 CE MET A 8 -14.716 -7.928 0.504 1.00 0.00 C ATOM 0 H MET A 8 -15.618 -8.843 -4.872 1.00 0.00 H new ATOM 0 HA MET A 8 -14.106 -7.991 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.170 -9.679 -2.673 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.939 -10.825 -3.168 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.734 -11.169 -0.900 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.683 -9.770 -0.989 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.200 -7.368 1.304 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.800 -8.382 0.881 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.475 -7.252 -0.317 1.00 0.00 H new ATOM 83 N GLY A 9 -11.967 -9.238 -2.872 1.00 0.00 N ATOM 84 CA GLY A 9 -10.638 -9.715 -3.212 1.00 0.00 C ATOM 85 C GLY A 9 -9.562 -8.767 -2.678 1.00 0.00 C ATOM 86 O GLY A 9 -9.806 -8.012 -1.738 1.00 0.00 O ATOM 0 H GLY A 9 -12.056 -8.860 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.488 -10.712 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.545 -9.803 -4.294 1.00 0.00 H new ATOM 90 N LEU A 10 -8.394 -8.837 -3.300 1.00 0.00 N ATOM 91 CA LEU A 10 -7.281 -7.994 -2.899 1.00 0.00 C ATOM 92 C LEU A 10 -6.781 -7.206 -4.112 1.00 0.00 C ATOM 93 O LEU A 10 -6.827 -5.977 -4.120 1.00 0.00 O ATOM 94 CB LEU A 10 -6.195 -8.830 -2.218 1.00 0.00 C ATOM 95 CG LEU A 10 -4.972 -8.059 -1.716 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.241 -7.437 -0.344 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.728 -8.950 -1.707 1.00 0.00 C ATOM 0 H LEU A 10 -8.195 -9.465 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.603 -7.265 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.643 -9.352 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.857 -9.592 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.777 -7.240 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.356 -6.895 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.083 -6.748 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.476 -8.224 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.873 -8.378 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.897 -9.804 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.527 -9.304 -2.718 1.00 0.00 H new ATOM 109 N GLU A 11 -6.314 -7.946 -5.107 1.00 0.00 N ATOM 110 CA GLU A 11 -5.806 -7.332 -6.321 1.00 0.00 C ATOM 111 C GLU A 11 -6.768 -6.248 -6.811 1.00 0.00 C ATOM 112 O GLU A 11 -6.414 -5.070 -6.849 1.00 0.00 O ATOM 113 CB GLU A 11 -5.565 -8.382 -7.408 1.00 0.00 C ATOM 114 CG GLU A 11 -4.736 -7.804 -8.556 1.00 0.00 C ATOM 115 CD GLU A 11 -4.448 -8.869 -9.615 1.00 0.00 C ATOM 116 OE1 GLU A 11 -5.374 -9.146 -10.408 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.308 -9.382 -9.609 1.00 0.00 O ATOM 0 H GLU A 11 -6.277 -8.965 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.848 -6.865 -6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.050 -9.242 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.521 -8.741 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.270 -6.969 -9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.797 -7.409 -8.168 1.00 0.00 H new ATOM 124 N GLU A 12 -7.966 -6.684 -7.172 1.00 0.00 N ATOM 125 CA GLU A 12 -8.982 -5.765 -7.657 1.00 0.00 C ATOM 126 C GLU A 12 -9.114 -4.572 -6.709 1.00 0.00 C ATOM 127 O GLU A 12 -9.491 -3.479 -7.129 1.00 0.00 O ATOM 128 CB GLU A 12 -10.325 -6.476 -7.835 1.00 0.00 C ATOM 129 CG GLU A 12 -10.454 -7.060 -9.243 1.00 0.00 C ATOM 130 CD GLU A 12 -10.225 -8.573 -9.233 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.836 -9.233 -8.365 1.00 0.00 O ATOM 132 OE2 GLU A 12 -9.445 -9.034 -10.093 1.00 0.00 O ATOM 0 H GLU A 12 -8.256 -7.661 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.673 -5.395 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.419 -7.273 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.139 -5.774 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.445 -6.841 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.731 -6.584 -9.906 1.00 0.00 H new ATOM 139 N GLU A 13 -8.798 -4.821 -5.447 1.00 0.00 N ATOM 140 CA GLU A 13 -8.877 -3.781 -4.435 1.00 0.00 C ATOM 141 C GLU A 13 -7.634 -2.891 -4.491 1.00 0.00 C ATOM 142 O GLU A 13 -7.742 -1.666 -4.485 1.00 0.00 O ATOM 143 CB GLU A 13 -9.058 -4.384 -3.041 1.00 0.00 C ATOM 144 CG GLU A 13 -8.386 -3.516 -1.976 1.00 0.00 C ATOM 145 CD GLU A 13 -8.889 -3.876 -0.577 1.00 0.00 C ATOM 146 OE1 GLU A 13 -8.303 -4.809 0.014 1.00 0.00 O ATOM 147 OE2 GLU A 13 -9.847 -3.210 -0.129 1.00 0.00 O ATOM 0 H GLU A 13 -8.486 -5.729 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.751 -3.164 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.121 -4.481 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.634 -5.388 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.305 -3.649 -2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.587 -2.464 -2.179 1.00 0.00 H new ATOM 154 N LEU A 14 -6.481 -3.542 -4.543 1.00 0.00 N ATOM 155 CA LEU A 14 -5.218 -2.825 -4.599 1.00 0.00 C ATOM 156 C LEU A 14 -5.274 -1.791 -5.725 1.00 0.00 C ATOM 157 O LEU A 14 -4.940 -0.626 -5.520 1.00 0.00 O ATOM 158 CB LEU A 14 -4.050 -3.806 -4.722 1.00 0.00 C ATOM 159 CG LEU A 14 -3.736 -4.634 -3.474 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.680 -5.700 -3.775 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.326 -3.734 -2.307 1.00 0.00 C ATOM 0 H LEU A 14 -6.395 -4.558 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.048 -2.278 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.261 -4.490 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.157 -3.244 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.644 -5.156 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.475 -6.274 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.049 -6.368 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.763 -5.218 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.108 -4.348 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.438 -3.165 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.139 -3.047 -2.074 1.00 0.00 H new ATOM 173 N LEU A 15 -5.698 -2.256 -6.891 1.00 0.00 N ATOM 174 CA LEU A 15 -5.802 -1.386 -8.051 1.00 0.00 C ATOM 175 C LEU A 15 -6.753 -0.230 -7.733 1.00 0.00 C ATOM 176 O LEU A 15 -6.432 0.930 -7.983 1.00 0.00 O ATOM 177 CB LEU A 15 -6.202 -2.189 -9.290 1.00 0.00 C ATOM 178 CG LEU A 15 -5.254 -3.320 -9.691 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.032 -4.588 -10.049 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.324 -2.879 -10.824 1.00 0.00 C ATOM 0 H LEU A 15 -5.974 -3.224 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.832 -0.946 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.191 -2.614 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.291 -1.501 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.626 -3.560 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.334 -5.376 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.617 -4.912 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.701 -4.381 -10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.660 -3.701 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.918 -2.596 -11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.731 -2.025 -10.496 1.00 0.00 H new ATOM 192 N ARG A 16 -7.906 -0.589 -7.185 1.00 0.00 N ATOM 193 CA ARG A 16 -8.906 0.404 -6.830 1.00 0.00 C ATOM 194 C ARG A 16 -8.277 1.513 -5.986 1.00 0.00 C ATOM 195 O ARG A 16 -8.515 2.695 -6.230 1.00 0.00 O ATOM 196 CB ARG A 16 -10.058 -0.231 -6.050 1.00 0.00 C ATOM 197 CG ARG A 16 -11.184 -0.666 -6.990 1.00 0.00 C ATOM 198 CD ARG A 16 -12.549 -0.531 -6.311 1.00 0.00 C ATOM 199 NE ARG A 16 -13.409 0.394 -7.082 1.00 0.00 N ATOM 200 CZ ARG A 16 -14.744 0.435 -6.985 1.00 0.00 C ATOM 201 NH1 ARG A 16 -15.381 -0.396 -6.149 1.00 0.00 N ATOM 202 NH2 ARG A 16 -15.444 1.308 -7.724 1.00 0.00 N ATOM 0 H ARG A 16 -8.169 -1.553 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.298 0.826 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.692 -1.093 -5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.444 0.481 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.162 -0.058 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.027 -1.700 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.026 -1.508 -6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.423 -0.161 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.957 1.041 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.849 -1.060 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -16.398 -0.365 -6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.960 1.941 -8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -16.461 1.339 -7.650 1.00 0.00 H new ATOM 216 N ILE A 17 -7.485 1.093 -5.009 1.00 0.00 N ATOM 217 CA ILE A 17 -6.820 2.037 -4.127 1.00 0.00 C ATOM 218 C ILE A 17 -5.897 2.936 -4.952 1.00 0.00 C ATOM 219 O ILE A 17 -6.135 4.138 -5.066 1.00 0.00 O ATOM 220 CB ILE A 17 -6.106 1.298 -2.993 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.094 0.884 -1.901 1.00 0.00 C ATOM 222 CG2 ILE A 17 -4.952 2.134 -2.436 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.774 -0.516 -1.374 1.00 0.00 C ATOM 0 H ILE A 17 -7.289 0.112 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.550 2.687 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.674 0.383 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.058 1.602 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.109 0.904 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.461 1.586 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.232 2.335 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.339 3.077 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.491 -0.786 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.835 -1.235 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.767 -0.526 -0.956 1.00 0.00 H new ATOM 235 N ALA A 18 -4.864 2.320 -5.507 1.00 0.00 N ATOM 236 CA ALA A 18 -3.904 3.050 -6.318 1.00 0.00 C ATOM 237 C ALA A 18 -4.649 4.046 -7.208 1.00 0.00 C ATOM 238 O ALA A 18 -4.408 5.250 -7.134 1.00 0.00 O ATOM 239 CB ALA A 18 -3.062 2.061 -7.127 1.00 0.00 C ATOM 0 H ALA A 18 -4.670 1.323 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.221 3.618 -5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.342 2.609 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.531 1.395 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.713 1.474 -7.775 1.00 0.00 H new ATOM 245 N LYS A 19 -5.538 3.508 -8.029 1.00 0.00 N ATOM 246 CA LYS A 19 -6.320 4.335 -8.932 1.00 0.00 C ATOM 247 C LYS A 19 -6.834 5.563 -8.177 1.00 0.00 C ATOM 248 O LYS A 19 -6.841 6.669 -8.716 1.00 0.00 O ATOM 249 CB LYS A 19 -7.428 3.510 -9.591 1.00 0.00 C ATOM 250 CG LYS A 19 -7.141 3.295 -11.078 1.00 0.00 C ATOM 251 CD LYS A 19 -7.950 4.268 -11.939 1.00 0.00 C ATOM 252 CE LYS A 19 -8.769 3.519 -12.991 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.759 2.631 -12.341 1.00 0.00 N ATOM 0 H LYS A 19 -5.734 2.509 -8.088 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.697 4.700 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.515 2.546 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.385 4.018 -9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.077 3.432 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.385 2.269 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.615 4.854 -11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.277 4.971 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.280 4.232 -13.638 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.106 2.931 -13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.578 2.506 -12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.324 1.706 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.072 3.057 -11.445 1.00 0.00 H new ATOM 267 N LYS A 20 -7.250 5.327 -6.942 1.00 0.00 N ATOM 268 CA LYS A 20 -7.764 6.399 -6.108 1.00 0.00 C ATOM 269 C LYS A 20 -6.628 7.368 -5.773 1.00 0.00 C ATOM 270 O LYS A 20 -6.762 8.576 -5.961 1.00 0.00 O ATOM 271 CB LYS A 20 -8.470 5.829 -4.876 1.00 0.00 C ATOM 272 CG LYS A 20 -9.971 6.120 -4.920 1.00 0.00 C ATOM 273 CD LYS A 20 -10.571 6.123 -3.512 1.00 0.00 C ATOM 274 CE LYS A 20 -10.357 7.474 -2.828 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.646 8.024 -2.352 1.00 0.00 N ATOM 0 H LYS A 20 -7.242 4.408 -6.499 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.522 6.969 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.306 4.753 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.039 6.261 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.144 7.086 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.473 5.370 -5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.637 5.904 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.114 5.333 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.672 7.359 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.892 8.172 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.483 8.941 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.288 8.153 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.074 7.365 -1.671 1.00 0.00 H new ATOM 289 N LEU A 21 -5.536 6.801 -5.282 1.00 0.00 N ATOM 290 CA LEU A 21 -4.377 7.599 -4.919 1.00 0.00 C ATOM 291 C LEU A 21 -3.874 8.350 -6.153 1.00 0.00 C ATOM 292 O LEU A 21 -3.816 9.579 -6.156 1.00 0.00 O ATOM 293 CB LEU A 21 -3.312 6.726 -4.253 1.00 0.00 C ATOM 294 CG LEU A 21 -3.733 6.021 -2.962 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.826 4.824 -2.670 1.00 0.00 C ATOM 296 CD2 LEU A 21 -3.778 7.005 -1.791 1.00 0.00 C ATOM 0 H LEU A 21 -5.429 5.799 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.649 8.350 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.992 5.969 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.444 7.348 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.743 5.634 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.147 4.341 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.887 4.112 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.797 5.165 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.080 6.479 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.790 7.442 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.496 7.796 -2.008 1.00 0.00 H new ATOM 308 N GLU A 22 -3.522 7.580 -7.172 1.00 0.00 N ATOM 309 CA GLU A 22 -3.025 8.158 -8.409 1.00 0.00 C ATOM 310 C GLU A 22 -3.881 9.359 -8.816 1.00 0.00 C ATOM 311 O GLU A 22 -3.353 10.392 -9.225 1.00 0.00 O ATOM 312 CB GLU A 22 -2.983 7.111 -9.525 1.00 0.00 C ATOM 313 CG GLU A 22 -2.024 5.973 -9.173 1.00 0.00 C ATOM 314 CD GLU A 22 -0.568 6.437 -9.254 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.191 7.273 -8.404 1.00 0.00 O ATOM 316 OE2 GLU A 22 0.135 5.946 -10.164 1.00 0.00 O ATOM 0 H GLU A 22 -3.571 6.561 -7.166 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.005 8.504 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.983 6.710 -9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.669 7.580 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.238 5.610 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.181 5.137 -9.854 1.00 0.00 H new ATOM 323 N LYS A 23 -5.188 9.183 -8.690 1.00 0.00 N ATOM 324 CA LYS A 23 -6.122 10.239 -9.040 1.00 0.00 C ATOM 325 C LYS A 23 -5.888 11.444 -8.126 1.00 0.00 C ATOM 326 O LYS A 23 -5.490 12.511 -8.589 1.00 0.00 O ATOM 327 CB LYS A 23 -7.559 9.715 -9.011 1.00 0.00 C ATOM 328 CG LYS A 23 -8.559 10.840 -9.287 1.00 0.00 C ATOM 329 CD LYS A 23 -8.783 11.017 -10.791 1.00 0.00 C ATOM 330 CE LYS A 23 -9.695 9.920 -11.342 1.00 0.00 C ATOM 331 NZ LYS A 23 -9.692 9.938 -12.822 1.00 0.00 N ATOM 0 H LYS A 23 -5.622 8.325 -8.350 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.951 10.576 -10.063 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.678 8.927 -9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.768 9.269 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.507 10.617 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.191 11.772 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.226 11.994 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.825 10.993 -11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.360 8.947 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.710 10.064 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.316 9.187 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.033 10.861 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.725 9.779 -13.169 1.00 0.00 H new ATOM 345 N MET A 24 -6.147 11.232 -6.844 1.00 0.00 N ATOM 346 CA MET A 24 -5.969 12.287 -5.861 1.00 0.00 C ATOM 347 C MET A 24 -4.729 13.126 -6.174 1.00 0.00 C ATOM 348 O MET A 24 -4.791 14.355 -6.181 1.00 0.00 O ATOM 349 CB MET A 24 -5.830 11.670 -4.468 1.00 0.00 C ATOM 350 CG MET A 24 -7.080 10.871 -4.094 1.00 0.00 C ATOM 351 SD MET A 24 -7.620 11.316 -2.452 1.00 0.00 S ATOM 352 CE MET A 24 -7.171 9.834 -1.566 1.00 0.00 C ATOM 0 H MET A 24 -6.479 10.346 -6.463 1.00 0.00 H new ATOM 0 HA MET A 24 -6.842 12.938 -5.894 1.00 0.00 H new ATOM 0 HB2 MET A 24 -4.956 11.019 -4.441 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.664 12.457 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.876 11.067 -4.813 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.866 9.803 -4.138 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.050 9.431 -1.062 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.784 9.094 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.405 10.070 -0.827 1.00 0.00 H new ATOM 362 N VAL A 25 -3.631 12.429 -6.426 1.00 0.00 N ATOM 363 CA VAL A 25 -2.377 13.094 -6.739 1.00 0.00 C ATOM 364 C VAL A 25 -2.548 13.918 -8.017 1.00 0.00 C ATOM 365 O VAL A 25 -2.409 15.140 -7.995 1.00 0.00 O ATOM 366 CB VAL A 25 -1.249 12.065 -6.838 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.080 12.740 -7.180 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.135 11.251 -5.548 1.00 0.00 C ATOM 0 H VAL A 25 -3.583 11.410 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.101 13.783 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.493 11.377 -7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.865 11.986 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.009 13.254 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.332 13.461 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.326 10.527 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.926 11.920 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.072 10.725 -5.365 1.00 0.00 H new ATOM 378 N SER A 26 -2.846 13.216 -9.101 1.00 0.00 N ATOM 379 CA SER A 26 -3.037 13.868 -10.385 1.00 0.00 C ATOM 380 C SER A 26 -3.865 15.142 -10.207 1.00 0.00 C ATOM 381 O SER A 26 -3.487 16.206 -10.696 1.00 0.00 O ATOM 382 CB SER A 26 -3.717 12.929 -11.384 1.00 0.00 C ATOM 383 OG SER A 26 -3.336 13.212 -12.727 1.00 0.00 O ATOM 0 H SER A 26 -2.960 12.202 -9.116 1.00 0.00 H new ATOM 0 HA SER A 26 -2.057 14.131 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.460 11.897 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.799 13.019 -11.287 1.00 0.00 H new ATOM 0 HG SER A 26 -3.790 12.590 -13.334 1.00 0.00 H new ATOM 389 N ARG A 27 -4.980 14.993 -9.506 1.00 0.00 N ATOM 390 CA ARG A 27 -5.864 16.119 -9.258 1.00 0.00 C ATOM 391 C ARG A 27 -5.234 17.075 -8.243 1.00 0.00 C ATOM 392 O ARG A 27 -5.505 18.275 -8.265 1.00 0.00 O ATOM 393 CB ARG A 27 -7.221 15.647 -8.730 1.00 0.00 C ATOM 394 CG ARG A 27 -7.992 14.882 -9.807 1.00 0.00 C ATOM 395 CD ARG A 27 -8.777 15.840 -10.706 1.00 0.00 C ATOM 396 NE ARG A 27 -9.708 15.078 -11.567 1.00 0.00 N ATOM 397 CZ ARG A 27 -10.662 15.639 -12.322 1.00 0.00 C ATOM 398 NH1 ARG A 27 -10.817 16.970 -12.327 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.462 14.869 -13.073 1.00 0.00 N ATOM 0 H ARG A 27 -5.291 14.110 -9.102 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.015 16.637 -10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.074 15.008 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.806 16.506 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.297 14.298 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.677 14.176 -9.337 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.333 16.551 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.089 16.419 -11.323 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.618 14.062 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.209 17.556 -11.756 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.543 17.397 -12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.344 13.856 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.188 15.296 -13.648 1.00 0.00 H new ATOM 413 N LYS A 28 -4.406 16.508 -7.378 1.00 0.00 N ATOM 414 CA LYS A 28 -3.736 17.295 -6.358 1.00 0.00 C ATOM 415 C LYS A 28 -4.757 17.737 -5.308 1.00 0.00 C ATOM 416 O LYS A 28 -5.166 18.897 -5.285 1.00 0.00 O ATOM 417 CB LYS A 28 -2.966 18.454 -6.994 1.00 0.00 C ATOM 418 CG LYS A 28 -1.518 18.486 -6.503 1.00 0.00 C ATOM 419 CD LYS A 28 -1.121 19.895 -6.056 1.00 0.00 C ATOM 420 CE LYS A 28 -0.246 20.578 -7.108 1.00 0.00 C ATOM 421 NZ LYS A 28 0.878 21.293 -6.462 1.00 0.00 N ATOM 0 H LYS A 28 -4.184 15.513 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.989 16.692 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.983 18.355 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.456 19.397 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.396 17.790 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.853 18.152 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.017 20.491 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.583 19.842 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.141 19.835 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.845 21.279 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.462 21.751 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.503 22.015 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.459 20.616 -5.928 1.00 0.00 H new ATOM 435 N LYS A 29 -5.140 16.790 -4.465 1.00 0.00 N ATOM 436 CA LYS A 29 -6.106 17.067 -3.416 1.00 0.00 C ATOM 437 C LYS A 29 -5.786 16.205 -2.193 1.00 0.00 C ATOM 438 O LYS A 29 -5.600 16.726 -1.094 1.00 0.00 O ATOM 439 CB LYS A 29 -7.533 16.887 -3.939 1.00 0.00 C ATOM 440 CG LYS A 29 -8.315 18.200 -3.864 1.00 0.00 C ATOM 441 CD LYS A 29 -9.125 18.282 -2.569 1.00 0.00 C ATOM 442 CE LYS A 29 -9.122 19.706 -2.010 1.00 0.00 C ATOM 443 NZ LYS A 29 -10.499 20.245 -1.957 1.00 0.00 N ATOM 0 H LYS A 29 -4.799 15.829 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.036 18.108 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.504 16.535 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.044 16.121 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.625 19.042 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.984 18.279 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.150 17.963 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.708 17.597 -1.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.685 19.710 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.498 20.346 -2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.479 21.212 -1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.903 20.259 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.084 19.643 -1.343 1.00 0.00 H new ATOM 457 N THR A 30 -5.733 14.902 -2.425 1.00 0.00 N ATOM 458 CA THR A 30 -5.439 13.963 -1.356 1.00 0.00 C ATOM 459 C THR A 30 -6.196 14.349 -0.084 1.00 0.00 C ATOM 460 O THR A 30 -5.660 15.048 0.775 1.00 0.00 O ATOM 461 CB THR A 30 -3.921 13.919 -1.169 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.559 15.280 -0.946 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.183 13.544 -2.456 1.00 0.00 C ATOM 0 H THR A 30 -5.889 14.474 -3.338 1.00 0.00 H new ATOM 0 HA THR A 30 -5.779 12.959 -1.608 1.00 0.00 H new ATOM 0 HB THR A 30 -3.673 13.203 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.240 15.713 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.109 13.527 -2.268 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.509 12.558 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.404 14.279 -3.230 1.00 0.00 H new ATOM 471 N GLU A 31 -7.432 13.876 -0.003 1.00 0.00 N ATOM 472 CA GLU A 31 -8.268 14.163 1.150 1.00 0.00 C ATOM 473 C GLU A 31 -8.686 12.862 1.839 1.00 0.00 C ATOM 474 O GLU A 31 -9.517 12.875 2.746 1.00 0.00 O ATOM 475 CB GLU A 31 -9.492 14.988 0.747 1.00 0.00 C ATOM 476 CG GLU A 31 -10.134 14.431 -0.525 1.00 0.00 C ATOM 477 CD GLU A 31 -11.660 14.495 -0.443 1.00 0.00 C ATOM 478 OE1 GLU A 31 -12.229 13.619 0.244 1.00 0.00 O ATOM 479 OE2 GLU A 31 -12.224 15.419 -1.069 1.00 0.00 O ATOM 0 H GLU A 31 -7.874 13.297 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.688 14.756 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.220 14.984 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.199 16.025 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.789 14.998 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.817 13.399 -0.674 1.00 0.00 H new ATOM 486 N GLY A 32 -8.091 11.770 1.382 1.00 0.00 N ATOM 487 CA GLY A 32 -8.391 10.464 1.943 1.00 0.00 C ATOM 488 C GLY A 32 -7.329 9.438 1.543 1.00 0.00 C ATOM 489 O GLY A 32 -7.654 8.380 1.006 1.00 0.00 O ATOM 0 H GLY A 32 -7.403 11.763 0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.443 10.534 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.370 10.132 1.598 1.00 0.00 H new ATOM 493 N ALA A 33 -6.081 9.787 1.819 1.00 0.00 N ATOM 494 CA ALA A 33 -4.969 8.910 1.494 1.00 0.00 C ATOM 495 C ALA A 33 -4.764 7.910 2.634 1.00 0.00 C ATOM 496 O ALA A 33 -4.456 6.744 2.393 1.00 0.00 O ATOM 497 CB ALA A 33 -3.719 9.749 1.222 1.00 0.00 C ATOM 0 H ALA A 33 -5.815 10.665 2.264 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.181 8.340 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.885 9.091 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.907 10.421 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.473 10.333 2.109 1.00 0.00 H new ATOM 503 N LEU A 34 -4.942 8.404 3.850 1.00 0.00 N ATOM 504 CA LEU A 34 -4.781 7.568 5.028 1.00 0.00 C ATOM 505 C LEU A 34 -5.606 6.291 4.859 1.00 0.00 C ATOM 506 O LEU A 34 -5.051 5.196 4.775 1.00 0.00 O ATOM 507 CB LEU A 34 -5.120 8.356 6.295 1.00 0.00 C ATOM 508 CG LEU A 34 -4.486 7.848 7.591 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.966 8.017 7.561 1.00 0.00 C ATOM 510 CD2 LEU A 34 -5.114 8.525 8.811 1.00 0.00 C ATOM 0 H LEU A 34 -5.196 9.372 4.045 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.740 7.263 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.816 9.392 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.203 8.357 6.420 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.690 6.780 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.540 7.648 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.553 7.452 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.720 9.072 7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.645 8.146 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.963 9.603 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.182 8.310 8.837 1.00 0.00 H new ATOM 522 N ASP A 35 -6.917 6.473 4.814 1.00 0.00 N ATOM 523 CA ASP A 35 -7.824 5.349 4.657 1.00 0.00 C ATOM 524 C ASP A 35 -7.232 4.358 3.653 1.00 0.00 C ATOM 525 O ASP A 35 -7.186 3.157 3.914 1.00 0.00 O ATOM 526 CB ASP A 35 -9.182 5.808 4.122 1.00 0.00 C ATOM 527 CG ASP A 35 -9.753 7.058 4.794 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.373 8.164 4.351 1.00 0.00 O ATOM 529 OD2 ASP A 35 -10.555 6.881 5.736 1.00 0.00 O ATOM 0 H ASP A 35 -7.373 7.383 4.884 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.959 4.885 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.089 5.999 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.896 4.993 4.239 1.00 0.00 H new ATOM 534 N LEU A 36 -6.793 4.898 2.525 1.00 0.00 N ATOM 535 CA LEU A 36 -6.205 4.076 1.481 1.00 0.00 C ATOM 536 C LEU A 36 -4.917 3.438 2.005 1.00 0.00 C ATOM 537 O LEU A 36 -4.794 2.214 2.034 1.00 0.00 O ATOM 538 CB LEU A 36 -6.010 4.893 0.202 1.00 0.00 C ATOM 539 CG LEU A 36 -7.283 5.458 -0.433 1.00 0.00 C ATOM 540 CD1 LEU A 36 -6.973 6.703 -1.267 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.010 4.388 -1.249 1.00 0.00 C ATOM 0 H LEU A 36 -6.833 5.895 2.312 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.878 3.262 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.339 5.723 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.508 4.265 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.957 5.765 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.894 7.085 -1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.532 7.468 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.272 6.444 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.911 4.816 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.355 4.027 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.283 3.557 -0.598 1.00 0.00 H new ATOM 553 N LEU A 37 -3.990 4.295 2.405 1.00 0.00 N ATOM 554 CA LEU A 37 -2.716 3.830 2.927 1.00 0.00 C ATOM 555 C LEU A 37 -2.964 2.743 3.974 1.00 0.00 C ATOM 556 O LEU A 37 -2.237 1.752 4.030 1.00 0.00 O ATOM 557 CB LEU A 37 -1.887 5.007 3.446 1.00 0.00 C ATOM 558 CG LEU A 37 -1.558 6.098 2.425 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.429 7.463 3.104 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.308 5.737 1.621 1.00 0.00 C ATOM 0 H LEU A 37 -4.095 5.309 2.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.122 3.378 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.423 5.465 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.951 4.618 3.846 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.386 6.167 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.195 8.221 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.369 7.716 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.631 7.426 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.096 6.529 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.539 5.624 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.475 4.800 1.090 1.00 0.00 H new ATOM 572 N LYS A 38 -3.994 2.965 4.778 1.00 0.00 N ATOM 573 CA LYS A 38 -4.347 2.016 5.821 1.00 0.00 C ATOM 574 C LYS A 38 -4.612 0.648 5.191 1.00 0.00 C ATOM 575 O LYS A 38 -3.872 -0.304 5.431 1.00 0.00 O ATOM 576 CB LYS A 38 -5.516 2.547 6.654 1.00 0.00 C ATOM 577 CG LYS A 38 -5.059 3.669 7.588 1.00 0.00 C ATOM 578 CD LYS A 38 -6.068 3.888 8.717 1.00 0.00 C ATOM 579 CE LYS A 38 -5.984 5.317 9.258 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.649 5.411 10.576 1.00 0.00 N ATOM 0 H LYS A 38 -4.595 3.788 4.728 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.519 1.891 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.300 2.916 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.948 1.735 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.085 3.422 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.936 4.592 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.076 3.692 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.878 3.179 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.940 5.617 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.454 6.006 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.583 6.387 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.650 5.144 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.182 4.768 11.247 1.00 0.00 H new ATOM 594 N LYS A 39 -5.671 0.593 4.396 1.00 0.00 N ATOM 595 CA LYS A 39 -6.043 -0.644 3.729 1.00 0.00 C ATOM 596 C LYS A 39 -4.783 -1.332 3.200 1.00 0.00 C ATOM 597 O LYS A 39 -4.560 -2.513 3.462 1.00 0.00 O ATOM 598 CB LYS A 39 -7.095 -0.376 2.652 1.00 0.00 C ATOM 599 CG LYS A 39 -8.509 -0.527 3.217 1.00 0.00 C ATOM 600 CD LYS A 39 -8.949 -1.992 3.208 1.00 0.00 C ATOM 601 CE LYS A 39 -10.472 -2.108 3.309 1.00 0.00 C ATOM 602 NZ LYS A 39 -10.935 -1.691 4.652 1.00 0.00 N ATOM 0 H LYS A 39 -6.283 1.385 4.199 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.510 -1.332 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.964 0.630 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.955 -1.068 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.541 -0.140 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.206 0.069 2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.604 -2.473 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.484 -2.520 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.941 -1.486 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.778 -3.136 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.970 -1.776 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.501 -2.301 5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.659 -0.703 4.823 1.00 0.00 H new ATOM 616 N LEU A 40 -3.992 -0.564 2.465 1.00 0.00 N ATOM 617 CA LEU A 40 -2.760 -1.085 1.897 1.00 0.00 C ATOM 618 C LEU A 40 -1.926 -1.732 3.005 1.00 0.00 C ATOM 619 O LEU A 40 -1.390 -2.824 2.826 1.00 0.00 O ATOM 620 CB LEU A 40 -2.019 0.011 1.129 1.00 0.00 C ATOM 621 CG LEU A 40 -2.660 0.460 -0.185 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.878 1.617 -0.810 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.812 -0.716 -1.151 1.00 0.00 C ATOM 0 H LEU A 40 -4.180 0.415 2.250 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.977 -1.863 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.923 0.881 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.010 -0.341 0.916 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.662 0.829 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.355 1.917 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.865 2.462 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.855 1.298 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.270 -0.369 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.831 -1.138 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.444 -1.480 -0.698 1.00 0.00 H new ATOM 635 N ASN A 41 -1.843 -1.029 4.125 1.00 0.00 N ATOM 636 CA ASN A 41 -1.083 -1.521 5.262 1.00 0.00 C ATOM 637 C ASN A 41 -1.743 -2.793 5.799 1.00 0.00 C ATOM 638 O ASN A 41 -1.074 -3.645 6.383 1.00 0.00 O ATOM 639 CB ASN A 41 -1.054 -0.491 6.393 1.00 0.00 C ATOM 640 CG ASN A 41 0.005 -0.851 7.436 1.00 0.00 C ATOM 641 OD1 ASN A 41 -0.212 -1.659 8.325 1.00 0.00 O ATOM 642 ND2 ASN A 41 1.159 -0.210 7.281 1.00 0.00 N ATOM 0 H ASN A 41 -2.289 -0.123 4.270 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.065 -1.718 4.927 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.845 0.498 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.034 -0.439 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.929 -0.382 7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.275 0.454 6.515 1.00 0.00 H new ATOM 649 N SER A 42 -3.047 -2.882 5.583 1.00 0.00 N ATOM 650 CA SER A 42 -3.805 -4.035 6.038 1.00 0.00 C ATOM 651 C SER A 42 -4.271 -4.862 4.837 1.00 0.00 C ATOM 652 O SER A 42 -5.431 -5.263 4.768 1.00 0.00 O ATOM 653 CB SER A 42 -5.005 -3.607 6.885 1.00 0.00 C ATOM 654 OG SER A 42 -5.371 -4.604 7.834 1.00 0.00 O ATOM 0 H SER A 42 -3.598 -2.174 5.098 1.00 0.00 H new ATOM 0 HA SER A 42 -3.154 -4.647 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.768 -2.680 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.853 -3.398 6.233 1.00 0.00 H new ATOM 0 HG SER A 42 -6.140 -4.292 8.356 1.00 0.00 H new ATOM 660 N CYS A 43 -3.341 -5.092 3.922 1.00 0.00 N ATOM 661 CA CYS A 43 -3.642 -5.864 2.728 1.00 0.00 C ATOM 662 C CYS A 43 -2.433 -6.746 2.408 1.00 0.00 C ATOM 663 O CYS A 43 -1.310 -6.254 2.313 1.00 0.00 O ATOM 664 CB CYS A 43 -4.017 -4.961 1.550 1.00 0.00 C ATOM 665 SG CYS A 43 -5.817 -4.634 1.561 1.00 0.00 S ATOM 0 H CYS A 43 -2.379 -4.758 3.983 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.512 -6.494 2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.468 -4.021 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.731 -5.436 0.612 1.00 0.00 H new ATOM 0 HG CYS A 43 -6.287 -4.754 0.355 1.00 0.00 H new ATOM 671 N GLN A 44 -2.704 -8.033 2.252 1.00 0.00 N ATOM 672 CA GLN A 44 -1.653 -8.988 1.946 1.00 0.00 C ATOM 673 C GLN A 44 -1.065 -8.704 0.562 1.00 0.00 C ATOM 674 O GLN A 44 -1.338 -9.430 -0.393 1.00 0.00 O ATOM 675 CB GLN A 44 -2.173 -10.424 2.037 1.00 0.00 C ATOM 676 CG GLN A 44 -1.601 -11.137 3.264 1.00 0.00 C ATOM 677 CD GLN A 44 -2.692 -11.916 4.002 1.00 0.00 C ATOM 678 OE1 GLN A 44 -3.633 -12.424 3.416 1.00 0.00 O ATOM 679 NE2 GLN A 44 -2.512 -11.982 5.318 1.00 0.00 N ATOM 0 H GLN A 44 -3.637 -8.437 2.332 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.861 -8.876 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.262 -10.418 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.901 -10.971 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.807 -11.818 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.152 -10.407 3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.701 -11.534 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.185 -12.481 5.900 1.00 0.00 H new ATOM 688 N MET A 45 -0.270 -7.647 0.498 1.00 0.00 N ATOM 689 CA MET A 45 0.359 -7.258 -0.753 1.00 0.00 C ATOM 690 C MET A 45 1.497 -8.214 -1.115 1.00 0.00 C ATOM 691 O MET A 45 2.125 -8.800 -0.234 1.00 0.00 O ATOM 692 CB MET A 45 0.907 -5.835 -0.629 1.00 0.00 C ATOM 693 CG MET A 45 1.619 -5.407 -1.914 1.00 0.00 C ATOM 694 SD MET A 45 1.439 -3.648 -2.155 1.00 0.00 S ATOM 695 CE MET A 45 -0.326 -3.549 -2.404 1.00 0.00 C ATOM 0 H MET A 45 -0.047 -7.047 1.292 1.00 0.00 H new ATOM 0 HA MET A 45 -0.391 -7.300 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.091 -5.145 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.600 -5.780 0.210 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.676 -5.668 -1.858 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.202 -5.944 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.532 -3.263 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.777 -4.520 -2.199 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.747 -2.804 -1.730 1.00 0.00 H new ATOM 705 N SER A 46 1.729 -8.343 -2.413 1.00 0.00 N ATOM 706 CA SER A 46 2.781 -9.218 -2.903 1.00 0.00 C ATOM 707 C SER A 46 3.650 -8.474 -3.918 1.00 0.00 C ATOM 708 O SER A 46 3.322 -7.361 -4.325 1.00 0.00 O ATOM 709 CB SER A 46 2.195 -10.484 -3.532 1.00 0.00 C ATOM 710 OG SER A 46 1.931 -11.491 -2.559 1.00 0.00 O ATOM 0 H SER A 46 1.206 -7.856 -3.141 1.00 0.00 H new ATOM 0 HA SER A 46 3.399 -9.518 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.272 -10.235 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.889 -10.873 -4.277 1.00 0.00 H new ATOM 0 HG SER A 46 1.556 -12.282 -3.000 1.00 0.00 H new ATOM 716 N ILE A 47 4.743 -9.119 -4.299 1.00 0.00 N ATOM 717 CA ILE A 47 5.663 -8.532 -5.259 1.00 0.00 C ATOM 718 C ILE A 47 4.987 -8.465 -6.630 1.00 0.00 C ATOM 719 O ILE A 47 4.813 -7.383 -7.188 1.00 0.00 O ATOM 720 CB ILE A 47 6.990 -9.294 -5.263 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.816 -8.962 -4.019 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.768 -9.031 -6.555 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.016 -7.452 -3.880 1.00 0.00 C ATOM 0 H ILE A 47 5.012 -10.043 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 47 5.910 -7.509 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 47 6.772 -10.361 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.315 -9.349 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.785 -9.457 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.707 -9.584 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.175 -9.357 -7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.977 -7.965 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.606 -7.244 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.539 -7.072 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.046 -6.963 -3.795 1.00 0.00 H new ATOM 735 N GLN A 48 4.624 -9.636 -7.133 1.00 0.00 N ATOM 736 CA GLN A 48 3.972 -9.724 -8.428 1.00 0.00 C ATOM 737 C GLN A 48 2.809 -8.733 -8.505 1.00 0.00 C ATOM 738 O GLN A 48 2.658 -8.023 -9.498 1.00 0.00 O ATOM 739 CB GLN A 48 3.495 -11.151 -8.706 1.00 0.00 C ATOM 740 CG GLN A 48 3.362 -11.401 -10.210 1.00 0.00 C ATOM 741 CD GLN A 48 2.093 -10.749 -10.764 1.00 0.00 C ATOM 742 OE1 GLN A 48 1.129 -10.507 -10.056 1.00 0.00 O ATOM 743 NE2 GLN A 48 2.147 -10.480 -12.065 1.00 0.00 N ATOM 0 H GLN A 48 4.769 -10.532 -6.667 1.00 0.00 H new ATOM 0 HA GLN A 48 4.699 -9.462 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.199 -11.864 -8.276 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.534 -11.318 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.235 -11.003 -10.727 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.338 -12.473 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.986 -10.709 -12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.350 -10.045 -12.529 1.00 0.00 H new ATOM 752 N LEU A 49 2.016 -8.716 -7.443 1.00 0.00 N ATOM 753 CA LEU A 49 0.872 -7.823 -7.378 1.00 0.00 C ATOM 754 C LEU A 49 1.361 -6.374 -7.349 1.00 0.00 C ATOM 755 O LEU A 49 0.833 -5.522 -8.062 1.00 0.00 O ATOM 756 CB LEU A 49 -0.028 -8.192 -6.197 1.00 0.00 C ATOM 757 CG LEU A 49 -0.761 -9.531 -6.304 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.289 -9.978 -4.940 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.871 -9.466 -7.355 1.00 0.00 C ATOM 0 H LEU A 49 2.144 -9.306 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 49 0.253 -7.932 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.580 -8.205 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.770 -7.403 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.047 -10.285 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.806 -10.932 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.456 -10.091 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.983 -9.230 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.376 -10.430 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.590 -8.695 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.439 -9.226 -8.326 1.00 0.00 H new ATOM 771 N LEU A 50 2.366 -6.139 -6.518 1.00 0.00 N ATOM 772 CA LEU A 50 2.933 -4.808 -6.388 1.00 0.00 C ATOM 773 C LEU A 50 3.077 -4.181 -7.776 1.00 0.00 C ATOM 774 O LEU A 50 2.807 -2.994 -7.956 1.00 0.00 O ATOM 775 CB LEU A 50 4.242 -4.858 -5.596 1.00 0.00 C ATOM 776 CG LEU A 50 4.167 -4.378 -4.145 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.259 -5.031 -3.295 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.218 -2.851 -4.070 1.00 0.00 C ATOM 0 H LEU A 50 2.802 -6.848 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 50 2.265 -4.164 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.607 -5.885 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.984 -4.255 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 50 3.208 -4.689 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.184 -4.673 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.134 -6.114 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.238 -4.772 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.163 -2.536 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.151 -2.496 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.376 -2.431 -4.621 1.00 0.00 H new ATOM 790 N GLN A 51 3.503 -5.005 -8.721 1.00 0.00 N ATOM 791 CA GLN A 51 3.687 -4.547 -10.087 1.00 0.00 C ATOM 792 C GLN A 51 2.330 -4.319 -10.758 1.00 0.00 C ATOM 793 O GLN A 51 1.984 -3.189 -11.098 1.00 0.00 O ATOM 794 CB GLN A 51 4.535 -5.536 -10.889 1.00 0.00 C ATOM 795 CG GLN A 51 5.992 -5.514 -10.420 1.00 0.00 C ATOM 796 CD GLN A 51 6.879 -6.345 -11.350 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.362 -5.879 -12.369 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.066 -7.597 -10.943 1.00 0.00 N ATOM 0 H GLN A 51 3.726 -5.988 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 51 4.223 -3.598 -10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.129 -6.542 -10.779 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.486 -5.287 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.353 -4.486 -10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.057 -5.904 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.632 -7.923 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.644 -8.232 -11.494 1.00 0.00 H new ATOM 807 N THR A 52 1.599 -5.411 -10.927 1.00 0.00 N ATOM 808 CA THR A 52 0.288 -5.345 -11.550 1.00 0.00 C ATOM 809 C THR A 52 -0.509 -4.165 -10.991 1.00 0.00 C ATOM 810 O THR A 52 -1.194 -3.465 -11.736 1.00 0.00 O ATOM 811 CB THR A 52 -0.401 -6.695 -11.345 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.548 -6.799 -9.932 1.00 0.00 O ATOM 813 CG2 THR A 52 0.500 -7.875 -11.715 1.00 0.00 C ATOM 0 H THR A 52 1.890 -6.347 -10.643 1.00 0.00 H new ATOM 0 HA THR A 52 0.368 -5.164 -12.622 1.00 0.00 H new ATOM 0 HB THR A 52 -1.311 -6.732 -11.944 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.229 -6.395 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.038 -8.809 -11.551 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.785 -7.800 -12.764 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.395 -7.858 -11.094 1.00 0.00 H new ATOM 821 N THR A 53 -0.393 -3.979 -9.685 1.00 0.00 N ATOM 822 CA THR A 53 -1.095 -2.896 -9.017 1.00 0.00 C ATOM 823 C THR A 53 -0.308 -1.590 -9.150 1.00 0.00 C ATOM 824 O THR A 53 -0.896 -0.515 -9.261 1.00 0.00 O ATOM 825 CB THR A 53 -1.339 -3.314 -7.566 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.033 -3.557 -7.050 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.042 -4.668 -7.457 1.00 0.00 C ATOM 0 H THR A 53 0.177 -4.560 -9.071 1.00 0.00 H new ATOM 0 HA THR A 53 -2.063 -2.705 -9.481 1.00 0.00 H new ATOM 0 HB THR A 53 -1.938 -2.553 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.194 -4.503 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.191 -4.917 -6.406 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.008 -4.618 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.428 -5.436 -7.928 1.00 0.00 H new ATOM 835 N ARG A 54 1.010 -1.726 -9.132 1.00 0.00 N ATOM 836 CA ARG A 54 1.883 -0.571 -9.249 1.00 0.00 C ATOM 837 C ARG A 54 1.542 0.463 -8.173 1.00 0.00 C ATOM 838 O ARG A 54 1.649 1.666 -8.407 1.00 0.00 O ATOM 839 CB ARG A 54 1.756 0.079 -10.628 1.00 0.00 C ATOM 840 CG ARG A 54 2.802 -0.480 -11.595 1.00 0.00 C ATOM 841 CD ARG A 54 3.599 0.649 -12.253 1.00 0.00 C ATOM 842 NE ARG A 54 3.532 0.524 -13.726 1.00 0.00 N ATOM 843 CZ ARG A 54 3.854 1.507 -14.579 1.00 0.00 C ATOM 844 NH1 ARG A 54 4.267 2.692 -14.110 1.00 0.00 N ATOM 845 NH2 ARG A 54 3.763 1.304 -15.900 1.00 0.00 N ATOM 0 H ARG A 54 1.494 -2.619 -9.038 1.00 0.00 H new ATOM 0 HA ARG A 54 2.908 -0.916 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.757 -0.096 -11.026 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.878 1.158 -10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.480 -1.144 -11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.310 -1.078 -12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.200 1.615 -11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.637 0.612 -11.924 1.00 0.00 H new ATOM 0 HE ARG A 54 3.221 -0.366 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.336 2.846 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.512 3.440 -14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.449 0.402 -16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.008 2.052 -16.549 1.00 0.00 H new ATOM 859 N ILE A 55 1.139 -0.044 -7.017 1.00 0.00 N ATOM 860 CA ILE A 55 0.783 0.820 -5.905 1.00 0.00 C ATOM 861 C ILE A 55 2.045 1.495 -5.364 1.00 0.00 C ATOM 862 O ILE A 55 1.964 2.525 -4.696 1.00 0.00 O ATOM 863 CB ILE A 55 0.002 0.037 -4.847 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.726 0.983 -3.891 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.915 -0.940 -4.103 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.175 1.199 -4.330 1.00 0.00 C ATOM 0 H ILE A 55 1.051 -1.042 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 55 0.115 1.614 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.759 -0.556 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.706 0.572 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.207 1.941 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.335 -1.484 -3.357 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.347 -1.646 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.714 -0.387 -3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.669 1.876 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.191 1.633 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.698 0.243 -4.341 1.00 0.00 H new ATOM 878 N GLY A 56 3.181 0.887 -5.672 1.00 0.00 N ATOM 879 CA GLY A 56 4.458 1.416 -5.225 1.00 0.00 C ATOM 880 C GLY A 56 4.643 2.863 -5.684 1.00 0.00 C ATOM 881 O GLY A 56 5.337 3.642 -5.032 1.00 0.00 O ATOM 0 H GLY A 56 3.244 0.033 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.516 1.365 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.268 0.800 -5.616 1.00 0.00 H new ATOM 885 N VAL A 57 4.010 3.180 -6.804 1.00 0.00 N ATOM 886 CA VAL A 57 4.095 4.521 -7.359 1.00 0.00 C ATOM 887 C VAL A 57 2.967 5.379 -6.784 1.00 0.00 C ATOM 888 O VAL A 57 3.112 6.594 -6.652 1.00 0.00 O ATOM 889 CB VAL A 57 4.078 4.456 -8.888 1.00 0.00 C ATOM 890 CG1 VAL A 57 2.755 3.882 -9.397 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.349 5.833 -9.497 1.00 0.00 C ATOM 0 H VAL A 57 3.436 2.531 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 57 5.037 4.992 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 57 4.877 3.786 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.769 3.847 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.620 2.875 -9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.932 4.515 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.332 5.760 -10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.582 6.534 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.327 6.188 -9.173 1.00 0.00 H new ATOM 901 N ALA A 58 1.869 4.715 -6.456 1.00 0.00 N ATOM 902 CA ALA A 58 0.717 5.402 -5.898 1.00 0.00 C ATOM 903 C ALA A 58 1.089 5.989 -4.536 1.00 0.00 C ATOM 904 O ALA A 58 1.027 7.202 -4.341 1.00 0.00 O ATOM 905 CB ALA A 58 -0.464 4.432 -5.812 1.00 0.00 C ATOM 0 H ALA A 58 1.753 3.708 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 58 0.414 6.228 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.328 4.947 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.708 4.066 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.198 3.591 -5.172 1.00 0.00 H new ATOM 911 N VAL A 59 1.468 5.101 -3.628 1.00 0.00 N ATOM 912 CA VAL A 59 1.850 5.517 -2.289 1.00 0.00 C ATOM 913 C VAL A 59 2.848 6.673 -2.384 1.00 0.00 C ATOM 914 O VAL A 59 2.563 7.782 -1.933 1.00 0.00 O ATOM 915 CB VAL A 59 2.394 4.321 -1.505 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.831 4.739 -0.100 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.365 3.190 -1.446 1.00 0.00 C ATOM 0 H VAL A 59 1.519 4.096 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 59 0.982 5.881 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 59 3.272 3.947 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.213 3.870 0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.614 5.494 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.978 5.151 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.777 2.352 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.460 3.547 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.124 2.864 -2.458 1.00 0.00 H new ATOM 927 N ASN A 60 3.997 6.374 -2.973 1.00 0.00 N ATOM 928 CA ASN A 60 5.038 7.375 -3.132 1.00 0.00 C ATOM 929 C ASN A 60 4.411 8.684 -3.615 1.00 0.00 C ATOM 930 O ASN A 60 4.589 9.729 -2.991 1.00 0.00 O ATOM 931 CB ASN A 60 6.071 6.934 -4.171 1.00 0.00 C ATOM 932 CG ASN A 60 7.225 7.935 -4.256 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.069 9.067 -4.684 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.389 7.457 -3.827 1.00 0.00 N ATOM 0 H ASN A 60 4.230 5.453 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 60 5.529 7.507 -2.168 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.458 5.949 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.594 6.840 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.220 8.048 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.451 6.500 -3.481 1.00 0.00 H new ATOM 941 N GLY A 61 3.691 8.585 -4.723 1.00 0.00 N ATOM 942 CA GLY A 61 3.036 9.749 -5.297 1.00 0.00 C ATOM 943 C GLY A 61 2.486 10.664 -4.201 1.00 0.00 C ATOM 944 O GLY A 61 2.539 11.887 -4.325 1.00 0.00 O ATOM 0 H GLY A 61 3.547 7.717 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.744 10.301 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.224 9.429 -5.950 1.00 0.00 H new ATOM 948 N VAL A 62 1.971 10.037 -3.154 1.00 0.00 N ATOM 949 CA VAL A 62 1.411 10.780 -2.038 1.00 0.00 C ATOM 950 C VAL A 62 2.549 11.314 -1.165 1.00 0.00 C ATOM 951 O VAL A 62 2.559 12.489 -0.802 1.00 0.00 O ATOM 952 CB VAL A 62 0.426 9.901 -1.265 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.425 10.740 -0.309 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.455 9.095 -2.221 1.00 0.00 C ATOM 0 H VAL A 62 1.930 9.023 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 62 0.845 11.640 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 62 1.003 9.196 -0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.117 10.091 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.223 11.248 0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.989 11.479 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.146 8.478 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.020 9.776 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.172 8.455 -2.841 1.00 0.00 H new ATOM 964 N ARG A 63 3.479 10.424 -0.852 1.00 0.00 N ATOM 965 CA ARG A 63 4.619 10.791 -0.028 1.00 0.00 C ATOM 966 C ARG A 63 5.304 12.036 -0.594 1.00 0.00 C ATOM 967 O ARG A 63 6.092 12.683 0.095 1.00 0.00 O ATOM 968 CB ARG A 63 5.633 9.648 0.049 1.00 0.00 C ATOM 969 CG ARG A 63 5.823 9.179 1.493 1.00 0.00 C ATOM 970 CD ARG A 63 6.624 7.877 1.545 1.00 0.00 C ATOM 971 NE ARG A 63 8.068 8.164 1.396 1.00 0.00 N ATOM 972 CZ ARG A 63 8.694 8.277 0.217 1.00 0.00 C ATOM 973 NH1 ARG A 63 8.006 8.127 -0.923 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.007 8.539 0.178 1.00 0.00 N ATOM 0 H ARG A 63 3.467 9.450 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 63 4.249 11.001 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.294 8.814 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.589 9.977 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.339 9.950 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.850 9.031 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.442 7.366 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.295 7.206 0.752 1.00 0.00 H new ATOM 0 HE ARG A 63 8.622 8.283 2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.006 7.927 -0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.482 8.213 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.530 8.652 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.483 8.625 -0.720 1.00 0.00 H new ATOM 988 N LYS A 64 4.981 12.334 -1.844 1.00 0.00 N ATOM 989 CA LYS A 64 5.556 13.489 -2.511 1.00 0.00 C ATOM 990 C LYS A 64 4.624 14.691 -2.334 1.00 0.00 C ATOM 991 O LYS A 64 5.050 15.748 -1.872 1.00 0.00 O ATOM 992 CB LYS A 64 5.869 13.164 -3.973 1.00 0.00 C ATOM 993 CG LYS A 64 7.379 13.082 -4.205 1.00 0.00 C ATOM 994 CD LYS A 64 7.760 13.687 -5.557 1.00 0.00 C ATOM 995 CE LYS A 64 9.037 14.521 -5.445 1.00 0.00 C ATOM 996 NZ LYS A 64 9.652 14.710 -6.778 1.00 0.00 N ATOM 0 H LYS A 64 4.328 11.795 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 64 6.511 13.755 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.403 12.217 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.439 13.929 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.902 13.608 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.701 12.041 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.904 12.891 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.945 14.311 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.807 15.491 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.744 14.027 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.518 15.278 -6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.889 13.783 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.982 15.202 -7.403 1.00 0.00 H new ATOM 1010 N HIS A 65 3.371 14.487 -2.712 1.00 0.00 N ATOM 1011 CA HIS A 65 2.376 15.540 -2.601 1.00 0.00 C ATOM 1012 C HIS A 65 1.700 15.466 -1.230 1.00 0.00 C ATOM 1013 O HIS A 65 0.611 16.004 -1.041 1.00 0.00 O ATOM 1014 CB HIS A 65 1.378 15.469 -3.758 1.00 0.00 C ATOM 1015 CG HIS A 65 2.013 15.566 -5.124 1.00 0.00 C ATOM 1016 ND1 HIS A 65 2.246 14.610 -6.069 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 2.491 16.755 -5.646 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 2.832 15.185 -7.112 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.986 16.515 -6.851 1.00 0.00 N flip ATOM 0 H HIS A 65 3.022 13.609 -3.095 1.00 0.00 H new ATOM 0 HA HIS A 65 2.862 16.513 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.826 14.531 -3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.652 16.275 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.465 17.716 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.137 14.683 -8.018 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.408 17.204 -7.474 1.00 0.00 H new ATOM 1027 N CYS A 66 2.376 14.794 -0.309 1.00 0.00 N ATOM 1028 CA CYS A 66 1.854 14.642 1.039 1.00 0.00 C ATOM 1029 C CYS A 66 1.966 15.991 1.752 1.00 0.00 C ATOM 1030 O CYS A 66 2.216 17.014 1.117 1.00 0.00 O ATOM 1031 CB CYS A 66 2.577 13.531 1.803 1.00 0.00 C ATOM 1032 SG CYS A 66 4.368 13.897 1.894 1.00 0.00 S ATOM 0 H CYS A 66 3.280 14.349 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 66 0.807 14.341 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.164 13.441 2.808 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.418 12.574 1.306 1.00 0.00 H new ATOM 0 HG CYS A 66 4.875 13.882 0.697 1.00 0.00 H new ATOM 1038 N SER A 67 1.776 15.949 3.062 1.00 0.00 N ATOM 1039 CA SER A 67 1.852 17.156 3.869 1.00 0.00 C ATOM 1040 C SER A 67 1.634 16.814 5.344 1.00 0.00 C ATOM 1041 O SER A 67 2.272 17.395 6.220 1.00 0.00 O ATOM 1042 CB SER A 67 0.826 18.193 3.407 1.00 0.00 C ATOM 1043 OG SER A 67 -0.499 17.666 3.400 1.00 0.00 O ATOM 0 H SER A 67 1.569 15.098 3.586 1.00 0.00 H new ATOM 0 HA SER A 67 2.845 17.588 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.867 19.062 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.084 18.538 2.406 1.00 0.00 H new ATOM 0 HG SER A 67 -1.125 18.358 3.101 1.00 0.00 H new ATOM 1049 N ASP A 68 0.730 15.872 5.573 1.00 0.00 N ATOM 1050 CA ASP A 68 0.420 15.446 6.927 1.00 0.00 C ATOM 1051 C ASP A 68 1.571 14.594 7.465 1.00 0.00 C ATOM 1052 O ASP A 68 2.644 14.543 6.865 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.853 14.597 6.959 1.00 0.00 C ATOM 1054 CG ASP A 68 -2.029 15.223 7.711 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.754 16.058 8.600 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -3.176 14.853 7.380 1.00 0.00 O ATOM 0 H ASP A 68 0.203 15.392 4.844 1.00 0.00 H new ATOM 0 HA ASP A 68 0.274 16.338 7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.163 14.395 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.619 13.636 7.416 1.00 0.00 H new ATOM 1061 N LYS A 69 1.309 13.945 8.590 1.00 0.00 N ATOM 1062 CA LYS A 69 2.309 13.097 9.216 1.00 0.00 C ATOM 1063 C LYS A 69 1.887 11.633 9.081 1.00 0.00 C ATOM 1064 O LYS A 69 2.580 10.840 8.444 1.00 0.00 O ATOM 1065 CB LYS A 69 2.556 13.536 10.661 1.00 0.00 C ATOM 1066 CG LYS A 69 3.244 14.901 10.710 1.00 0.00 C ATOM 1067 CD LYS A 69 4.765 14.746 10.773 1.00 0.00 C ATOM 1068 CE LYS A 69 5.344 15.503 11.970 1.00 0.00 C ATOM 1069 NZ LYS A 69 6.382 14.692 12.643 1.00 0.00 N ATOM 0 H LYS A 69 0.418 13.989 9.084 1.00 0.00 H new ATOM 0 HA LYS A 69 3.268 13.200 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.608 13.583 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.173 12.795 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.970 15.482 9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.895 15.457 11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.024 13.690 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.211 15.120 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.772 16.449 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.548 15.744 12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.764 15.220 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.963 13.801 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.149 14.484 11.972 1.00 0.00 H new ATOM 1083 N GLU A 70 0.754 11.318 9.690 1.00 0.00 N ATOM 1084 CA GLU A 70 0.231 9.963 9.646 1.00 0.00 C ATOM 1085 C GLU A 70 0.012 9.526 8.196 1.00 0.00 C ATOM 1086 O GLU A 70 0.145 8.346 7.873 1.00 0.00 O ATOM 1087 CB GLU A 70 -1.062 9.848 10.455 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.817 9.125 11.781 1.00 0.00 C ATOM 1089 CD GLU A 70 -1.106 7.628 11.651 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -2.299 7.293 11.487 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -0.128 6.853 11.720 1.00 0.00 O ATOM 0 H GLU A 70 0.183 11.978 10.217 1.00 0.00 H new ATOM 0 HA GLU A 70 0.964 9.296 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.464 10.843 10.648 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.811 9.308 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.216 9.274 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.451 9.555 12.556 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.319 10.500 7.361 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.558 10.230 5.953 1.00 0.00 C ATOM 1100 C VAL A 71 0.775 9.939 5.261 1.00 0.00 C ATOM 1101 O VAL A 71 0.809 9.277 4.225 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.319 11.396 5.319 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.198 11.365 3.794 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.786 11.393 5.752 1.00 0.00 C ATOM 0 H VAL A 71 -0.427 11.477 7.632 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.186 9.347 5.834 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.867 12.323 5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.748 12.204 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.148 11.438 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.612 10.431 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.304 12.232 5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.255 10.459 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.845 11.486 6.836 1.00 0.00 H new ATOM 1114 N VAL A 72 1.841 10.447 5.862 1.00 0.00 N ATOM 1115 CA VAL A 72 3.173 10.250 5.317 1.00 0.00 C ATOM 1116 C VAL A 72 3.802 9.010 5.954 1.00 0.00 C ATOM 1117 O VAL A 72 4.303 8.133 5.252 1.00 0.00 O ATOM 1118 CB VAL A 72 4.012 11.515 5.514 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.506 11.199 5.434 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.624 12.594 4.501 1.00 0.00 C ATOM 0 H VAL A 72 1.809 10.995 6.722 1.00 0.00 H new ATOM 0 HA VAL A 72 3.123 10.073 4.243 1.00 0.00 H new ATOM 0 HB VAL A 72 3.805 11.903 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.080 12.115 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.768 10.481 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.736 10.776 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.235 13.482 4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.788 12.220 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.572 12.850 4.627 1.00 0.00 H new ATOM 1130 N SER A 73 3.756 8.977 7.278 1.00 0.00 N ATOM 1131 CA SER A 73 4.316 7.858 8.018 1.00 0.00 C ATOM 1132 C SER A 73 3.906 6.539 7.361 1.00 0.00 C ATOM 1133 O SER A 73 4.750 5.682 7.101 1.00 0.00 O ATOM 1134 CB SER A 73 3.866 7.885 9.480 1.00 0.00 C ATOM 1135 OG SER A 73 4.745 7.145 10.323 1.00 0.00 O ATOM 0 H SER A 73 3.340 9.706 7.857 1.00 0.00 H new ATOM 0 HA SER A 73 5.402 7.944 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.817 8.918 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.859 7.475 9.557 1.00 0.00 H new ATOM 0 HG SER A 73 4.424 7.188 11.248 1.00 0.00 H new ATOM 1141 N LEU A 74 2.611 6.416 7.111 1.00 0.00 N ATOM 1142 CA LEU A 74 2.079 5.215 6.489 1.00 0.00 C ATOM 1143 C LEU A 74 2.721 5.032 5.112 1.00 0.00 C ATOM 1144 O LEU A 74 3.348 4.008 4.847 1.00 0.00 O ATOM 1145 CB LEU A 74 0.550 5.262 6.454 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.171 4.472 7.548 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -1.664 4.804 7.570 1.00 0.00 C ATOM 1148 CD2 LEU A 74 0.081 2.971 7.396 1.00 0.00 C ATOM 0 H LEU A 74 1.914 7.128 7.328 1.00 0.00 H new ATOM 0 HA LEU A 74 2.334 4.335 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.237 6.304 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.217 4.890 5.485 1.00 0.00 H new ATOM 0 HG LEU A 74 0.239 4.771 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.153 4.229 8.356 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.797 5.869 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.107 4.551 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.443 2.432 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.285 2.637 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.150 2.772 7.469 1.00 0.00 H new ATOM 1160 N ALA A 75 2.541 6.041 4.272 1.00 0.00 N ATOM 1161 CA ALA A 75 3.094 6.004 2.929 1.00 0.00 C ATOM 1162 C ALA A 75 4.538 5.501 2.991 1.00 0.00 C ATOM 1163 O ALA A 75 4.990 4.791 2.094 1.00 0.00 O ATOM 1164 CB ALA A 75 2.987 7.392 2.294 1.00 0.00 C ATOM 0 H ALA A 75 2.020 6.889 4.496 1.00 0.00 H new ATOM 0 HA ALA A 75 2.531 5.314 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.402 7.364 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.940 7.691 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.543 8.111 2.896 1.00 0.00 H new ATOM 1170 N LYS A 76 5.221 5.888 4.058 1.00 0.00 N ATOM 1171 CA LYS A 76 6.604 5.485 4.248 1.00 0.00 C ATOM 1172 C LYS A 76 6.657 3.984 4.541 1.00 0.00 C ATOM 1173 O LYS A 76 7.292 3.227 3.808 1.00 0.00 O ATOM 1174 CB LYS A 76 7.270 6.346 5.324 1.00 0.00 C ATOM 1175 CG LYS A 76 7.425 7.793 4.850 1.00 0.00 C ATOM 1176 CD LYS A 76 7.907 8.694 5.988 1.00 0.00 C ATOM 1177 CE LYS A 76 8.587 9.950 5.442 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.515 10.516 6.447 1.00 0.00 N ATOM 0 H LYS A 76 4.842 6.477 4.800 1.00 0.00 H new ATOM 0 HA LYS A 76 7.179 5.653 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.674 6.320 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.248 5.934 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.134 7.835 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.471 8.159 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.062 8.977 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.604 8.145 6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.133 9.708 4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.834 10.692 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.968 11.368 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.986 10.765 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.244 9.812 6.681 1.00 0.00 H new ATOM 1192 N VAL A 77 5.983 3.599 5.615 1.00 0.00 N ATOM 1193 CA VAL A 77 5.946 2.202 6.014 1.00 0.00 C ATOM 1194 C VAL A 77 5.627 1.336 4.794 1.00 0.00 C ATOM 1195 O VAL A 77 6.273 0.314 4.567 1.00 0.00 O ATOM 1196 CB VAL A 77 4.950 2.012 7.159 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.585 0.536 7.328 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.497 2.594 8.464 1.00 0.00 C ATOM 0 H VAL A 77 5.458 4.230 6.221 1.00 0.00 H new ATOM 0 HA VAL A 77 6.919 1.886 6.391 1.00 0.00 H new ATOM 0 HB VAL A 77 4.040 2.556 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.876 0.428 8.149 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.134 0.165 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.485 -0.038 7.549 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.769 2.446 9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.428 2.091 8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.684 3.660 8.337 1.00 0.00 H new ATOM 1208 N LEU A 78 4.630 1.777 4.039 1.00 0.00 N ATOM 1209 CA LEU A 78 4.218 1.054 2.848 1.00 0.00 C ATOM 1210 C LEU A 78 5.403 0.944 1.887 1.00 0.00 C ATOM 1211 O LEU A 78 5.599 -0.092 1.254 1.00 0.00 O ATOM 1212 CB LEU A 78 2.982 1.708 2.227 1.00 0.00 C ATOM 1213 CG LEU A 78 1.678 1.560 3.013 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.599 2.499 2.469 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.212 0.102 3.033 1.00 0.00 C ATOM 0 H LEU A 78 4.096 2.625 4.229 1.00 0.00 H new ATOM 0 HA LEU A 78 3.920 0.037 3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.185 2.771 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.833 1.287 1.233 1.00 0.00 H new ATOM 0 HG LEU A 78 1.867 1.852 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.317 2.373 3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.940 3.531 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.405 2.262 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.283 0.025 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.045 -0.241 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.976 -0.518 3.503 1.00 0.00 H new ATOM 1227 N ILE A 79 6.163 2.026 1.809 1.00 0.00 N ATOM 1228 CA ILE A 79 7.325 2.064 0.937 1.00 0.00 C ATOM 1229 C ILE A 79 8.393 1.111 1.476 1.00 0.00 C ATOM 1230 O ILE A 79 8.847 0.216 0.764 1.00 0.00 O ATOM 1231 CB ILE A 79 7.816 3.502 0.760 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.267 4.115 -0.530 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.343 3.572 0.823 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.788 4.475 -0.379 1.00 0.00 C ATOM 0 H ILE A 79 5.997 2.884 2.336 1.00 0.00 H new ATOM 0 HA ILE A 79 7.063 1.717 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 79 7.432 4.098 1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.838 5.008 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.392 3.411 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.665 4.605 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.685 3.203 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.768 2.958 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.422 4.909 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.216 3.576 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.670 5.197 0.429 1.00 0.00 H new ATOM 1246 N LYS A 80 8.764 1.335 2.728 1.00 0.00 N ATOM 1247 CA LYS A 80 9.771 0.508 3.370 1.00 0.00 C ATOM 1248 C LYS A 80 9.357 -0.962 3.270 1.00 0.00 C ATOM 1249 O LYS A 80 10.045 -1.763 2.639 1.00 0.00 O ATOM 1250 CB LYS A 80 10.018 0.980 4.804 1.00 0.00 C ATOM 1251 CG LYS A 80 11.229 0.271 5.414 1.00 0.00 C ATOM 1252 CD LYS A 80 11.106 0.189 6.937 1.00 0.00 C ATOM 1253 CE LYS A 80 11.485 -1.204 7.443 1.00 0.00 C ATOM 1254 NZ LYS A 80 12.953 -1.391 7.397 1.00 0.00 N ATOM 0 H LYS A 80 8.385 2.078 3.315 1.00 0.00 H new ATOM 0 HA LYS A 80 10.728 0.607 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.181 2.058 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.134 0.786 5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.315 -0.733 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.141 0.806 5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.752 0.936 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.084 0.423 7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.128 -1.336 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.996 -1.964 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.193 -2.342 7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.286 -1.286 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.413 -0.677 7.997 1.00 0.00 H new ATOM 1268 N ASN A 81 8.234 -1.271 3.901 1.00 0.00 N ATOM 1269 CA ASN A 81 7.720 -2.630 3.891 1.00 0.00 C ATOM 1270 C ASN A 81 7.930 -3.240 2.504 1.00 0.00 C ATOM 1271 O ASN A 81 8.601 -4.262 2.366 1.00 0.00 O ATOM 1272 CB ASN A 81 6.221 -2.654 4.196 1.00 0.00 C ATOM 1273 CG ASN A 81 5.967 -2.608 5.704 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.876 -2.492 6.510 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.684 -2.706 6.040 1.00 0.00 N ATOM 0 H ASN A 81 7.666 -0.604 4.423 1.00 0.00 H new ATOM 0 HA ASN A 81 8.253 -3.197 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.735 -1.805 3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.775 -3.556 3.776 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.411 -2.686 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.973 -2.801 5.315 1.00 0.00 H new ATOM 1282 N TRP A 82 7.343 -2.588 1.511 1.00 0.00 N ATOM 1283 CA TRP A 82 7.458 -3.053 0.139 1.00 0.00 C ATOM 1284 C TRP A 82 8.944 -3.105 -0.220 1.00 0.00 C ATOM 1285 O TRP A 82 9.402 -4.057 -0.851 1.00 0.00 O ATOM 1286 CB TRP A 82 6.644 -2.171 -0.809 1.00 0.00 C ATOM 1287 CG TRP A 82 5.137 -2.201 -0.547 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.438 -3.110 0.147 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.165 -1.239 -1.007 1.00 0.00 C ATOM 1290 NE1 TRP A 82 3.092 -2.805 0.168 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.921 -1.631 -0.556 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.331 -0.075 -1.778 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.747 -0.916 -0.824 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.149 0.628 -2.038 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.889 0.247 -1.591 1.00 0.00 C ATOM 0 H TRP A 82 6.786 -1.742 1.629 1.00 0.00 H new ATOM 0 HA TRP A 82 7.040 -4.054 0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.997 -1.143 -0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.830 -2.489 -1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.873 -3.973 0.629 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.358 -3.342 0.630 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.295 0.251 -2.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.785 -1.244 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.221 1.530 -2.627 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.023 0.845 -1.834 1.00 0.00 H new ATOM 1306 N LYS A 83 9.657 -2.068 0.197 1.00 0.00 N ATOM 1307 CA LYS A 83 11.082 -1.983 -0.074 1.00 0.00 C ATOM 1308 C LYS A 83 11.767 -3.261 0.415 1.00 0.00 C ATOM 1309 O LYS A 83 12.861 -3.595 -0.036 1.00 0.00 O ATOM 1310 CB LYS A 83 11.666 -0.704 0.529 1.00 0.00 C ATOM 1311 CG LYS A 83 13.024 -0.374 -0.095 1.00 0.00 C ATOM 1312 CD LYS A 83 14.075 -0.115 0.986 1.00 0.00 C ATOM 1313 CE LYS A 83 14.915 1.119 0.650 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.184 0.722 0.000 1.00 0.00 N ATOM 0 H LYS A 83 9.274 -1.280 0.720 1.00 0.00 H new ATOM 0 HA LYS A 83 11.262 -1.914 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.977 0.125 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.776 -0.823 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.346 -1.199 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.931 0.504 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.584 0.026 1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.724 -0.985 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.353 1.780 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.126 1.681 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.741 1.572 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.726 0.110 0.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.977 0.205 -0.879 1.00 0.00 H new ATOM 1328 N ARG A 84 11.094 -3.941 1.332 1.00 0.00 N ATOM 1329 CA ARG A 84 11.624 -5.175 1.887 1.00 0.00 C ATOM 1330 C ARG A 84 11.077 -6.380 1.119 1.00 0.00 C ATOM 1331 O ARG A 84 11.778 -7.375 0.938 1.00 0.00 O ATOM 1332 CB ARG A 84 11.260 -5.314 3.367 1.00 0.00 C ATOM 1333 CG ARG A 84 10.857 -6.752 3.699 1.00 0.00 C ATOM 1334 CD ARG A 84 10.967 -7.018 5.202 1.00 0.00 C ATOM 1335 NE ARG A 84 10.357 -8.327 5.530 1.00 0.00 N ATOM 1336 CZ ARG A 84 10.320 -8.851 6.763 1.00 0.00 C ATOM 1337 NH1 ARG A 84 10.858 -8.181 7.791 1.00 0.00 N ATOM 1338 NH2 ARG A 84 9.746 -10.044 6.967 1.00 0.00 N ATOM 0 H ARG A 84 10.187 -3.661 1.704 1.00 0.00 H new ATOM 0 HA ARG A 84 12.709 -5.142 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.109 -5.019 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.440 -4.638 3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.834 -6.933 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.496 -7.448 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.014 -7.009 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.467 -6.225 5.758 1.00 0.00 H new ATOM 0 HE ARG A 84 9.939 -8.863 4.770 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.295 -7.273 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.830 -8.579 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.337 -10.554 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.718 -10.443 7.905 1.00 0.00 H new ATOM 1352 N LEU A 85 9.831 -6.251 0.689 1.00 0.00 N ATOM 1353 CA LEU A 85 9.182 -7.317 -0.056 1.00 0.00 C ATOM 1354 C LEU A 85 10.080 -7.740 -1.220 1.00 0.00 C ATOM 1355 O LEU A 85 10.240 -8.931 -1.484 1.00 0.00 O ATOM 1356 CB LEU A 85 7.777 -6.892 -0.486 1.00 0.00 C ATOM 1357 CG LEU A 85 6.655 -7.171 0.517 1.00 0.00 C ATOM 1358 CD1 LEU A 85 5.346 -6.516 0.072 1.00 0.00 C ATOM 1359 CD2 LEU A 85 6.492 -8.674 0.754 1.00 0.00 C ATOM 0 H LEU A 85 9.253 -5.425 0.842 1.00 0.00 H new ATOM 0 HA LEU A 85 9.045 -8.194 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.791 -5.823 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.536 -7.398 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 85 6.931 -6.723 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.566 -6.730 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.486 -5.438 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.052 -6.913 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.688 -8.844 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.249 -9.167 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.422 -9.083 1.148 1.00 0.00 H new ATOM 1371 N LEU A 86 10.642 -6.742 -1.885 1.00 0.00 N ATOM 1372 CA LEU A 86 11.520 -6.995 -3.015 1.00 0.00 C ATOM 1373 C LEU A 86 12.799 -7.673 -2.520 1.00 0.00 C ATOM 1374 O LEU A 86 13.264 -8.642 -3.118 1.00 0.00 O ATOM 1375 CB LEU A 86 11.771 -5.705 -3.798 1.00 0.00 C ATOM 1376 CG LEU A 86 10.592 -5.179 -4.619 1.00 0.00 C ATOM 1377 CD1 LEU A 86 10.224 -3.754 -4.199 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.880 -5.278 -6.118 1.00 0.00 C ATOM 0 H LEU A 86 10.506 -5.756 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 86 11.047 -7.680 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.073 -4.929 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.612 -5.870 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 86 9.726 -5.809 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.383 -3.404 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.947 -3.745 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.079 -3.096 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.026 -4.898 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.764 -4.687 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.055 -6.320 -6.387 1.00 0.00 H new ATOM 1390 N ASP A 87 13.332 -7.136 -1.432 1.00 0.00 N ATOM 1391 CA ASP A 87 14.548 -7.677 -0.849 1.00 0.00 C ATOM 1392 C ASP A 87 14.236 -9.015 -0.177 1.00 0.00 C ATOM 1393 O ASP A 87 13.970 -9.064 1.023 1.00 0.00 O ATOM 1394 CB ASP A 87 15.116 -6.734 0.214 1.00 0.00 C ATOM 1395 CG ASP A 87 16.105 -7.379 1.188 1.00 0.00 C ATOM 1396 OD1 ASP A 87 17.126 -7.905 0.694 1.00 0.00 O ATOM 1397 OD2 ASP A 87 15.817 -7.331 2.403 1.00 0.00 O ATOM 0 H ASP A 87 12.944 -6.332 -0.939 1.00 0.00 H new ATOM 0 HA ASP A 87 15.279 -7.801 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.612 -5.903 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.288 -6.314 0.785 1.00 0.00 H new ATOM 1402 N SER A 88 14.277 -10.068 -0.979 1.00 0.00 N ATOM 1403 CA SER A 88 14.002 -11.403 -0.477 1.00 0.00 C ATOM 1404 C SER A 88 15.275 -12.013 0.113 1.00 0.00 C ATOM 1405 O SER A 88 16.382 -11.644 -0.275 1.00 0.00 O ATOM 1406 CB SER A 88 13.445 -12.303 -1.582 1.00 0.00 C ATOM 1407 OG SER A 88 14.238 -12.251 -2.764 1.00 0.00 O ATOM 0 H SER A 88 14.497 -10.024 -1.974 1.00 0.00 H new ATOM 0 HA SER A 88 13.248 -11.325 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.397 -13.331 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.425 -12.000 -1.817 1.00 0.00 H new ATOM 0 HG SER A 88 13.850 -12.840 -3.444 1.00 0.00 H new ATOM 1413 N PRO A 89 15.069 -12.961 1.066 1.00 0.00 N ATOM 1414 CA PRO A 89 16.187 -13.626 1.714 1.00 0.00 C ATOM 1415 C PRO A 89 16.829 -14.655 0.781 1.00 0.00 C ATOM 1416 O PRO A 89 16.190 -15.632 0.395 1.00 0.00 O ATOM 1417 CB PRO A 89 15.600 -14.249 2.970 1.00 0.00 C ATOM 1418 CG PRO A 89 14.098 -14.307 2.744 1.00 0.00 C ATOM 1419 CD PRO A 89 13.772 -13.424 1.551 1.00 0.00 C ATOM 0 HA PRO A 89 16.995 -12.940 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.008 -15.245 3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.840 -13.653 3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.779 -15.333 2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.565 -13.963 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 89 13.237 -13.980 0.781 1.00 0.00 H new ATOM 0 HD3 PRO A 89 13.136 -12.587 1.840 1.00 0.00 H new ATOM 1427 N ARG A 90 18.085 -14.399 0.445 1.00 0.00 N ATOM 1428 CA ARG A 90 18.820 -15.290 -0.436 1.00 0.00 C ATOM 1429 C ARG A 90 20.299 -15.321 -0.046 1.00 0.00 C ATOM 1430 O ARG A 90 20.802 -14.383 0.571 1.00 0.00 O ATOM 1431 CB ARG A 90 18.694 -14.849 -1.896 1.00 0.00 C ATOM 1432 CG ARG A 90 18.514 -16.056 -2.820 1.00 0.00 C ATOM 1433 CD ARG A 90 18.424 -15.618 -4.283 1.00 0.00 C ATOM 1434 NE ARG A 90 17.090 -15.037 -4.556 1.00 0.00 N ATOM 1435 CZ ARG A 90 15.970 -15.759 -4.691 1.00 0.00 C ATOM 1436 NH1 ARG A 90 16.015 -17.094 -4.579 1.00 0.00 N ATOM 1437 NH2 ARG A 90 14.803 -15.147 -4.938 1.00 0.00 N ATOM 0 H ARG A 90 18.612 -13.587 0.767 1.00 0.00 H new ATOM 0 HA ARG A 90 18.392 -16.287 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 90 17.845 -14.174 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.583 -14.291 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.350 -16.743 -2.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.610 -16.599 -2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.201 -14.885 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.599 -16.471 -4.938 1.00 0.00 H new ATOM 0 HE ARG A 90 17.019 -14.024 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.902 -17.560 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.162 -17.643 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.768 -14.131 -5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.950 -15.697 -5.041 1.00 0.00 H new ATOM 1451 N THR A 91 20.955 -16.409 -0.421 1.00 0.00 N ATOM 1452 CA THR A 91 22.366 -16.575 -0.118 1.00 0.00 C ATOM 1453 C THR A 91 23.211 -16.357 -1.375 1.00 0.00 C ATOM 1454 O THR A 91 22.675 -16.259 -2.478 1.00 0.00 O ATOM 1455 CB THR A 91 22.556 -17.957 0.510 1.00 0.00 C ATOM 1456 OG1 THR A 91 22.594 -18.843 -0.606 1.00 0.00 O ATOM 1457 CG2 THR A 91 21.331 -18.412 1.306 1.00 0.00 C ATOM 0 H THR A 91 20.535 -17.185 -0.933 1.00 0.00 H new ATOM 0 HA THR A 91 22.707 -15.827 0.598 1.00 0.00 H new ATOM 0 HB THR A 91 23.428 -17.942 1.164 1.00 0.00 H new ATOM 0 HG1 THR A 91 22.716 -19.762 -0.290 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.519 -19.398 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.135 -17.702 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 91 20.465 -18.460 0.646 1.00 0.00 H new ATOM 1465 N THR A 92 24.517 -16.288 -1.167 1.00 0.00 N ATOM 1466 CA THR A 92 25.441 -16.084 -2.270 1.00 0.00 C ATOM 1467 C THR A 92 26.262 -17.351 -2.520 1.00 0.00 C ATOM 1468 O THR A 92 26.469 -18.151 -1.608 1.00 0.00 O ATOM 1469 CB THR A 92 26.299 -14.859 -1.948 1.00 0.00 C ATOM 1470 OG1 THR A 92 27.037 -14.628 -3.144 1.00 0.00 O ATOM 1471 CG2 THR A 92 27.372 -15.155 -0.898 1.00 0.00 C ATOM 0 H THR A 92 24.958 -16.370 -0.251 1.00 0.00 H new ATOM 0 HA THR A 92 24.908 -15.890 -3.201 1.00 0.00 H new ATOM 0 HB THR A 92 25.659 -14.051 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 92 27.619 -13.849 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 92 27.952 -14.252 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 92 26.896 -15.483 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 92 28.033 -15.940 -1.265 1.00 0.00 H new ATOM 1479 N LYS A 93 26.706 -17.495 -3.759 1.00 0.00 N ATOM 1480 CA LYS A 93 27.499 -18.651 -4.141 1.00 0.00 C ATOM 1481 C LYS A 93 28.934 -18.467 -3.643 1.00 0.00 C ATOM 1482 O LYS A 93 29.587 -17.479 -3.973 1.00 0.00 O ATOM 1483 CB LYS A 93 27.398 -18.897 -5.648 1.00 0.00 C ATOM 1484 CG LYS A 93 27.186 -20.382 -5.948 1.00 0.00 C ATOM 1485 CD LYS A 93 25.794 -20.629 -6.533 1.00 0.00 C ATOM 1486 CE LYS A 93 25.889 -21.230 -7.937 1.00 0.00 C ATOM 1487 NZ LYS A 93 24.538 -21.521 -8.469 1.00 0.00 N ATOM 0 H LYS A 93 26.532 -16.830 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 93 27.110 -19.552 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 93 26.572 -18.318 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 93 28.307 -18.549 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 93 27.946 -20.727 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 93 27.309 -20.963 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 93 25.236 -21.302 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 93 25.240 -19.691 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 93 26.406 -20.538 -8.601 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.480 -22.146 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.621 -21.928 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 24.057 -22.199 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.986 -20.641 -8.515 1.00 0.00 H new ATOM 1501 N GLY A 94 29.382 -19.434 -2.855 1.00 0.00 N ATOM 1502 CA GLY A 94 30.727 -19.391 -2.308 1.00 0.00 C ATOM 1503 C GLY A 94 30.909 -20.446 -1.216 1.00 0.00 C ATOM 1504 O GLY A 94 30.310 -20.347 -0.146 1.00 0.00 O ATOM 0 H GLY A 94 28.837 -20.252 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 94 31.453 -19.558 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 94 30.925 -18.401 -1.898 1.00 0.00 H new ATOM 1508 N GLU A 95 31.738 -21.433 -1.523 1.00 0.00 N ATOM 1509 CA GLU A 95 32.007 -22.506 -0.580 1.00 0.00 C ATOM 1510 C GLU A 95 33.250 -23.289 -1.007 1.00 0.00 C ATOM 1511 O GLU A 95 33.464 -23.521 -2.196 1.00 0.00 O ATOM 1512 CB GLU A 95 30.796 -23.431 -0.443 1.00 0.00 C ATOM 1513 CG GLU A 95 30.438 -23.652 1.028 1.00 0.00 C ATOM 1514 CD GLU A 95 29.565 -22.513 1.557 1.00 0.00 C ATOM 1515 OE1 GLU A 95 28.744 -22.010 0.760 1.00 0.00 O ATOM 1516 OE2 GLU A 95 29.739 -22.170 2.747 1.00 0.00 O ATOM 0 H GLU A 95 32.232 -21.512 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 95 32.198 -22.065 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 95 29.943 -23.000 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 95 31.010 -24.389 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 95 29.912 -24.600 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 95 31.350 -23.722 1.621 1.00 0.00 H new ATOM 1523 N ARG A 96 34.037 -23.675 -0.014 1.00 0.00 N ATOM 1524 CA ARG A 96 35.253 -24.428 -0.272 1.00 0.00 C ATOM 1525 C ARG A 96 34.957 -25.617 -1.188 1.00 0.00 C ATOM 1526 O ARG A 96 33.828 -26.102 -1.236 1.00 0.00 O ATOM 1527 CB ARG A 96 35.872 -24.938 1.031 1.00 0.00 C ATOM 1528 CG ARG A 96 37.358 -25.250 0.847 1.00 0.00 C ATOM 1529 CD ARG A 96 38.178 -24.734 2.032 1.00 0.00 C ATOM 1530 NE ARG A 96 39.458 -24.167 1.553 1.00 0.00 N ATOM 1531 CZ ARG A 96 40.424 -24.886 0.965 1.00 0.00 C ATOM 1532 NH1 ARG A 96 40.261 -26.203 0.779 1.00 0.00 N ATOM 1533 NH2 ARG A 96 41.554 -24.288 0.562 1.00 0.00 N ATOM 0 H ARG A 96 33.857 -23.481 0.971 1.00 0.00 H new ATOM 0 HA ARG A 96 35.961 -23.758 -0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 96 35.748 -24.190 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 96 35.347 -25.834 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 96 37.497 -26.326 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 96 37.718 -24.793 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 96 37.613 -23.974 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 96 38.370 -25.546 2.733 1.00 0.00 H new ATOM 0 HE ARG A 96 39.615 -23.167 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 96 39.401 -26.659 1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 96 40.997 -26.750 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 96 41.679 -23.286 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 96 42.289 -24.835 0.114 1.00 0.00 H new ATOM 1547 N GLU A 97 35.992 -26.053 -1.892 1.00 0.00 N ATOM 1548 CA GLU A 97 35.857 -27.176 -2.803 1.00 0.00 C ATOM 1549 C GLU A 97 35.127 -28.332 -2.117 1.00 0.00 C ATOM 1550 O GLU A 97 35.541 -28.787 -1.052 1.00 0.00 O ATOM 1551 CB GLU A 97 37.223 -27.624 -3.327 1.00 0.00 C ATOM 1552 CG GLU A 97 37.192 -27.816 -4.845 1.00 0.00 C ATOM 1553 CD GLU A 97 37.999 -29.048 -5.258 1.00 0.00 C ATOM 1554 OE1 GLU A 97 39.115 -29.203 -4.717 1.00 0.00 O ATOM 1555 OE2 GLU A 97 37.481 -29.807 -6.106 1.00 0.00 O ATOM 0 H GLU A 97 36.927 -25.648 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 97 35.263 -26.855 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 97 37.978 -26.882 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 97 37.513 -28.557 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 97 36.161 -27.923 -5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 97 37.596 -26.931 -5.336 1.00 0.00 H new ATOM 1562 N SER A 98 34.053 -28.774 -2.755 1.00 0.00 N ATOM 1563 CA SER A 98 33.261 -29.868 -2.219 1.00 0.00 C ATOM 1564 C SER A 98 32.665 -30.692 -3.362 1.00 0.00 C ATOM 1565 O SER A 98 32.552 -30.207 -4.487 1.00 0.00 O ATOM 1566 CB SER A 98 32.151 -29.348 -1.304 1.00 0.00 C ATOM 1567 OG SER A 98 31.824 -30.282 -0.278 1.00 0.00 O ATOM 0 H SER A 98 33.713 -28.394 -3.638 1.00 0.00 H new ATOM 0 HA SER A 98 33.916 -30.505 -1.624 1.00 0.00 H new ATOM 0 HB2 SER A 98 32.465 -28.407 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 98 31.262 -29.135 -1.897 1.00 0.00 H new ATOM 0 HG SER A 98 31.113 -29.913 0.286 1.00 0.00 H new ATOM 1573 N GLY A 99 32.299 -31.922 -3.035 1.00 0.00 N ATOM 1574 CA GLY A 99 31.718 -32.817 -4.020 1.00 0.00 C ATOM 1575 C GLY A 99 30.376 -32.281 -4.524 1.00 0.00 C ATOM 1576 O GLY A 99 29.400 -32.239 -3.776 1.00 0.00 O ATOM 0 H GLY A 99 32.394 -32.320 -2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 99 32.404 -32.936 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 99 31.577 -33.805 -3.581 1.00 0.00 H new ATOM 1580 N PRO A 100 30.371 -31.873 -5.821 1.00 0.00 N ATOM 1581 CA PRO A 100 29.165 -31.341 -6.433 1.00 0.00 C ATOM 1582 C PRO A 100 28.168 -32.460 -6.745 1.00 0.00 C ATOM 1583 O PRO A 100 28.463 -33.635 -6.534 1.00 0.00 O ATOM 1584 CB PRO A 100 29.645 -30.610 -7.677 1.00 0.00 C ATOM 1585 CG PRO A 100 31.036 -31.150 -7.967 1.00 0.00 C ATOM 1586 CD PRO A 100 31.508 -31.908 -6.736 1.00 0.00 C ATOM 0 HA PRO A 100 28.622 -30.664 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 100 28.974 -30.787 -8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 100 29.671 -29.533 -7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 100 31.017 -31.808 -8.836 1.00 0.00 H new ATOM 0 HG3 PRO A 100 31.721 -30.335 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 100 31.785 -32.933 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 100 32.387 -31.438 -6.294 1.00 0.00 H new ATOM 1594 N SER A 101 27.009 -32.054 -7.241 1.00 0.00 N ATOM 1595 CA SER A 101 25.967 -33.008 -7.583 1.00 0.00 C ATOM 1596 C SER A 101 25.481 -32.761 -9.012 1.00 0.00 C ATOM 1597 O SER A 101 25.661 -31.671 -9.554 1.00 0.00 O ATOM 1598 CB SER A 101 24.796 -32.920 -6.602 1.00 0.00 C ATOM 1599 OG SER A 101 24.122 -31.668 -6.685 1.00 0.00 O ATOM 0 H SER A 101 26.768 -31.078 -7.414 1.00 0.00 H new ATOM 0 HA SER A 101 26.387 -34.012 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 101 24.091 -33.725 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 101 25.162 -33.068 -5.586 1.00 0.00 H new ATOM 0 HG SER A 101 23.380 -31.653 -6.045 1.00 0.00 H new ATOM 1605 N SER A 102 24.874 -33.791 -9.583 1.00 0.00 N ATOM 1606 CA SER A 102 24.360 -33.699 -10.939 1.00 0.00 C ATOM 1607 C SER A 102 25.515 -33.507 -11.924 1.00 0.00 C ATOM 1608 O SER A 102 26.514 -32.869 -11.597 1.00 0.00 O ATOM 1609 CB SER A 102 23.353 -32.554 -11.071 1.00 0.00 C ATOM 1610 OG SER A 102 22.197 -32.943 -11.807 1.00 0.00 O ATOM 0 H SER A 102 24.727 -34.694 -9.131 1.00 0.00 H new ATOM 0 HA SER A 102 23.842 -34.629 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 102 23.055 -32.217 -10.078 1.00 0.00 H new ATOM 0 HB3 SER A 102 23.829 -31.707 -11.565 1.00 0.00 H new ATOM 0 HG SER A 102 21.578 -32.186 -11.868 1.00 0.00 H new ATOM 1616 N GLY A 103 25.339 -34.070 -13.110 1.00 0.00 N ATOM 1617 CA GLY A 103 26.354 -33.968 -14.145 1.00 0.00 C ATOM 1618 C GLY A 103 26.472 -35.278 -14.928 1.00 0.00 C ATOM 1619 O GLY A 103 25.612 -36.151 -14.818 1.00 0.00 O ATOM 0 H GLY A 103 24.509 -34.598 -13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 103 26.104 -33.154 -14.826 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.315 -33.722 -13.694 1.00 0.00 H new TER 1623 GLY A 103