USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= 0.503 K(o=0.73,f=-0.58) USER MOD Set 1.2: A 17 GLN : amide:sc= 0.232 X(o=0.73,f=0.27) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0655 X(o=-0.066,f=-0.066) USER MOD Single : A 4 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.31) USER MOD Single : A 6 GLN : amide:sc= -0.564 K(o=-0.56,f=-1.3) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0.932 (180deg=0.832) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 1.29 (180deg=-0.0772) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -39:sc= 0.4 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0338 (180deg=-0.228) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 28:sc= 1.25 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 57 SER OG : rot -81:sc= 0.0947 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A3288 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3291 THR OG1 : rot -49:sc= 0.0431 USER MOD Single : A3295 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.014) USER MOD Single : A3299 SER OG : rot 180:sc= 0 USER MOD Single : A3301 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A3302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A3306 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3320 GLN : amide:sc= 0.833 K(o=0.83,f=-0.24) USER MOD Single : A3321 GLN :FLIP amide:sc= -0.029 F(o=-0.61,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.403 12.001 2.545 1.00 0.00 N ATOM 2 CA MET A 1 -26.482 11.024 2.318 1.00 0.00 C ATOM 3 C MET A 1 -27.155 11.184 0.945 1.00 0.00 C ATOM 4 O MET A 1 -28.380 11.165 0.860 1.00 0.00 O ATOM 5 CB MET A 1 -27.484 11.014 3.488 1.00 0.00 C ATOM 6 CG MET A 1 -28.253 12.316 3.751 1.00 0.00 C ATOM 7 SD MET A 1 -29.465 12.133 5.089 1.00 0.00 S ATOM 8 CE MET A 1 -30.456 13.623 4.816 1.00 0.00 C ATOM 0 H1 MET A 1 -24.986 11.846 3.485 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.669 11.883 1.817 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.791 12.965 2.493 1.00 0.00 H new ATOM 0 HA MET A 1 -26.020 10.037 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.210 10.221 3.307 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.943 10.749 4.397 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.548 13.108 4.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.764 12.626 2.839 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.254 13.670 5.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.821 14.504 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.890 13.593 3.817 1.00 0.00 H new ATOM 18 N ASN A 2 -26.395 11.353 -0.149 1.00 0.00 N ATOM 19 CA ASN A 2 -26.951 11.516 -1.500 1.00 0.00 C ATOM 20 C ASN A 2 -26.136 10.767 -2.557 1.00 0.00 C ATOM 21 O ASN A 2 -26.261 11.051 -3.749 1.00 0.00 O ATOM 22 CB ASN A 2 -27.057 13.002 -1.890 1.00 0.00 C ATOM 23 CG ASN A 2 -27.947 13.790 -0.951 1.00 0.00 C ATOM 24 OD1 ASN A 2 -29.146 13.922 -1.174 1.00 0.00 O ATOM 25 ND2 ASN A 2 -27.385 14.350 0.107 1.00 0.00 N ATOM 0 H ASN A 2 -25.376 11.380 -0.120 1.00 0.00 H new ATOM 0 HA ASN A 2 -27.951 11.083 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -26.061 13.444 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -27.447 13.080 -2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -27.950 14.902 0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -26.387 14.230 0.278 1.00 0.00 H new ATOM 32 N ILE A 3 -25.240 9.871 -2.145 1.00 0.00 N ATOM 33 CA ILE A 3 -24.394 9.113 -3.063 1.00 0.00 C ATOM 34 C ILE A 3 -23.959 7.779 -2.458 1.00 0.00 C ATOM 35 O ILE A 3 -24.200 7.508 -1.284 1.00 0.00 O ATOM 36 CB ILE A 3 -23.224 10.019 -3.506 1.00 0.00 C ATOM 37 CG1 ILE A 3 -22.740 9.658 -4.925 1.00 0.00 C ATOM 38 CG2 ILE A 3 -22.078 10.036 -2.482 1.00 0.00 C ATOM 39 CD1 ILE A 3 -22.299 10.915 -5.677 1.00 0.00 C ATOM 0 H ILE A 3 -25.081 9.650 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 3 -24.954 8.832 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 3 -23.605 11.039 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -21.910 8.954 -4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -23.541 9.161 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -21.280 10.687 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -22.449 10.408 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -21.691 9.025 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -21.961 10.641 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -23.139 11.606 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -21.483 11.395 -5.136 1.00 0.00 H new ATOM 51 N ASN A 4 -23.283 6.961 -3.261 1.00 0.00 N ATOM 52 CA ASN A 4 -22.793 5.642 -2.882 1.00 0.00 C ATOM 53 C ASN A 4 -21.478 5.365 -3.602 1.00 0.00 C ATOM 54 O ASN A 4 -20.471 5.153 -2.940 1.00 0.00 O ATOM 55 CB ASN A 4 -23.874 4.576 -3.118 1.00 0.00 C ATOM 56 CG ASN A 4 -24.488 4.675 -4.499 1.00 0.00 C ATOM 57 OD1 ASN A 4 -25.321 5.536 -4.762 1.00 0.00 O ATOM 58 ND2 ASN A 4 -23.998 3.902 -5.438 1.00 0.00 N ATOM 0 H ASN A 4 -23.055 7.208 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 4 -22.579 5.606 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -23.439 3.585 -2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -24.656 4.683 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -24.309 4.012 -6.403 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -23.306 3.191 -5.203 1.00 0.00 H new ATOM 65 N GLU A 5 -21.430 5.468 -4.934 1.00 0.00 N ATOM 66 CA GLU A 5 -20.208 5.226 -5.721 1.00 0.00 C ATOM 67 C GLU A 5 -19.079 6.181 -5.322 1.00 0.00 C ATOM 68 O GLU A 5 -17.909 5.806 -5.304 1.00 0.00 O ATOM 69 CB GLU A 5 -20.479 5.290 -7.225 1.00 0.00 C ATOM 70 CG GLU A 5 -21.094 3.978 -7.721 1.00 0.00 C ATOM 71 CD GLU A 5 -21.102 3.926 -9.244 1.00 0.00 C ATOM 72 OE1 GLU A 5 -21.996 4.570 -9.839 1.00 0.00 O ATOM 73 OE2 GLU A 5 -20.215 3.246 -9.816 1.00 0.00 O ATOM 0 H GLU A 5 -22.238 5.722 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.879 4.213 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -21.153 6.119 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.549 5.486 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.528 3.134 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.112 3.883 -7.344 1.00 0.00 H new ATOM 80 N GLN A 6 -19.428 7.420 -4.985 1.00 0.00 N ATOM 81 CA GLN A 6 -18.429 8.390 -4.550 1.00 0.00 C ATOM 82 C GLN A 6 -18.020 8.064 -3.116 1.00 0.00 C ATOM 83 O GLN A 6 -16.895 8.341 -2.721 1.00 0.00 O ATOM 84 CB GLN A 6 -18.920 9.840 -4.632 1.00 0.00 C ATOM 85 CG GLN A 6 -18.792 10.428 -6.043 1.00 0.00 C ATOM 86 CD GLN A 6 -19.096 11.928 -6.097 1.00 0.00 C ATOM 87 OE1 GLN A 6 -19.085 12.640 -5.088 1.00 0.00 O ATOM 88 NE2 GLN A 6 -19.388 12.444 -7.278 1.00 0.00 N ATOM 0 H GLN A 6 -20.385 7.773 -5.004 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.579 8.312 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -19.963 9.885 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -18.350 10.453 -3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -17.781 10.254 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -19.471 9.901 -6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -19.395 11.849 -8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.606 13.437 -7.361 1.00 0.00 H new ATOM 97 N THR A 7 -18.905 7.508 -2.289 1.00 0.00 N ATOM 98 CA THR A 7 -18.519 7.185 -0.928 1.00 0.00 C ATOM 99 C THR A 7 -17.509 6.044 -0.894 1.00 0.00 C ATOM 100 O THR A 7 -16.598 6.121 -0.081 1.00 0.00 O ATOM 101 CB THR A 7 -19.757 6.879 -0.113 1.00 0.00 C ATOM 102 OG1 THR A 7 -20.584 8.038 -0.104 1.00 0.00 O ATOM 103 CG2 THR A 7 -19.386 6.509 1.316 1.00 0.00 C ATOM 0 H THR A 7 -19.868 7.279 -2.534 1.00 0.00 H new ATOM 0 HA THR A 7 -18.021 8.046 -0.482 1.00 0.00 H new ATOM 0 HB THR A 7 -20.283 6.034 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 7 -21.393 7.858 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 7 -20.292 6.293 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 7 -18.744 5.628 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 7 -18.856 7.340 1.781 1.00 0.00 H new ATOM 111 N LEU A 8 -17.572 5.063 -1.800 1.00 0.00 N ATOM 112 CA LEU A 8 -16.629 3.945 -1.836 1.00 0.00 C ATOM 113 C LEU A 8 -15.212 4.513 -1.876 1.00 0.00 C ATOM 114 O LEU A 8 -14.309 3.860 -1.387 1.00 0.00 O ATOM 115 CB LEU A 8 -16.780 3.083 -3.096 1.00 0.00 C ATOM 116 CG LEU A 8 -18.185 2.844 -3.662 1.00 0.00 C ATOM 117 CD1 LEU A 8 -18.112 1.988 -4.932 1.00 0.00 C ATOM 118 CD2 LEU A 8 -19.117 2.181 -2.655 1.00 0.00 C ATOM 0 H LEU A 8 -18.282 5.024 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.827 3.332 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.180 3.540 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.339 2.109 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.598 3.825 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -19.118 1.828 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.510 2.501 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.656 1.026 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.098 2.035 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -18.706 1.215 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -19.214 2.818 -1.776 1.00 0.00 H new ATOM 130 N ASP A 9 -15.005 5.703 -2.453 1.00 0.00 N ATOM 131 CA ASP A 9 -13.710 6.377 -2.566 1.00 0.00 C ATOM 132 C ASP A 9 -13.029 6.488 -1.197 1.00 0.00 C ATOM 133 O ASP A 9 -11.829 6.200 -1.079 1.00 0.00 O ATOM 134 CB ASP A 9 -13.898 7.777 -3.156 1.00 0.00 C ATOM 135 CG ASP A 9 -12.591 8.539 -3.354 1.00 0.00 C ATOM 136 OD1 ASP A 9 -12.071 9.078 -2.355 1.00 0.00 O ATOM 137 OD2 ASP A 9 -12.129 8.674 -4.508 1.00 0.00 O ATOM 0 H ASP A 9 -15.765 6.241 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.076 5.784 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.408 7.692 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.549 8.354 -2.499 1.00 0.00 H new ATOM 142 N LYS A 10 -13.778 6.880 -0.157 1.00 0.00 N ATOM 143 CA LYS A 10 -13.203 7.004 1.188 1.00 0.00 C ATOM 144 C LYS A 10 -12.878 5.625 1.764 1.00 0.00 C ATOM 145 O LYS A 10 -12.045 5.506 2.664 1.00 0.00 O ATOM 146 CB LYS A 10 -14.086 7.852 2.121 1.00 0.00 C ATOM 147 CG LYS A 10 -15.236 7.078 2.766 1.00 0.00 C ATOM 148 CD LYS A 10 -16.058 7.866 3.761 1.00 0.00 C ATOM 149 CE LYS A 10 -15.265 8.008 5.053 1.00 0.00 C ATOM 150 NZ LYS A 10 -16.069 8.618 6.121 1.00 0.00 N ATOM 0 H LYS A 10 -14.769 7.113 -0.219 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.262 7.548 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.462 8.277 2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.497 8.687 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.896 6.715 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.827 6.201 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.299 8.849 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.004 7.360 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.916 7.027 5.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.380 8.617 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.495 8.698 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.381 9.564 5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.901 8.024 6.312 1.00 0.00 H new ATOM 164 N LEU A 11 -13.624 4.604 1.345 1.00 0.00 N ATOM 165 CA LEU A 11 -13.454 3.234 1.786 1.00 0.00 C ATOM 166 C LEU A 11 -12.220 2.640 1.111 1.00 0.00 C ATOM 167 O LEU A 11 -11.328 2.147 1.787 1.00 0.00 O ATOM 168 CB LEU A 11 -14.715 2.379 1.533 1.00 0.00 C ATOM 169 CG LEU A 11 -15.962 2.605 2.418 1.00 0.00 C ATOM 170 CD1 LEU A 11 -15.688 2.634 3.918 1.00 0.00 C ATOM 171 CD2 LEU A 11 -16.755 3.850 2.031 1.00 0.00 C ATOM 0 H LEU A 11 -14.382 4.717 0.672 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.305 3.231 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -15.015 2.533 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.428 1.332 1.630 1.00 0.00 H new ATOM 0 HG LEU A 11 -16.563 1.718 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.622 2.797 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.253 1.683 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.993 3.442 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.617 3.952 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.120 4.730 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.095 3.758 1.000 1.00 0.00 H new ATOM 183 N ARG A 12 -12.110 2.685 -0.220 1.00 0.00 N ATOM 184 CA ARG A 12 -10.963 2.119 -0.940 1.00 0.00 C ATOM 185 C ARG A 12 -9.666 2.705 -0.463 1.00 0.00 C ATOM 186 O ARG A 12 -8.729 1.952 -0.230 1.00 0.00 O ATOM 187 CB ARG A 12 -11.106 2.157 -2.467 1.00 0.00 C ATOM 188 CG ARG A 12 -11.791 3.391 -3.078 1.00 0.00 C ATOM 189 CD ARG A 12 -10.940 4.235 -4.027 1.00 0.00 C ATOM 190 NE ARG A 12 -10.401 5.457 -3.387 1.00 0.00 N ATOM 191 CZ ARG A 12 -9.751 6.468 -3.986 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.471 6.429 -5.281 1.00 0.00 N ATOM 193 NH2 ARG A 12 -9.368 7.528 -3.282 1.00 0.00 N ATOM 0 H ARG A 12 -12.809 3.112 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.949 1.058 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.110 2.074 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.664 1.273 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.678 3.059 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.134 4.031 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.113 3.631 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.541 4.519 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.539 5.540 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.750 5.622 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.977 7.206 -5.719 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.567 7.576 -2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.875 8.294 -3.741 1.00 0.00 H new ATOM 207 N GLN A 13 -9.607 4.012 -0.260 1.00 0.00 N ATOM 208 CA GLN A 13 -8.395 4.638 0.228 1.00 0.00 C ATOM 209 C GLN A 13 -8.027 4.108 1.630 1.00 0.00 C ATOM 210 O GLN A 13 -6.850 3.986 1.959 1.00 0.00 O ATOM 211 CB GLN A 13 -8.507 6.151 0.071 1.00 0.00 C ATOM 212 CG GLN A 13 -9.498 6.788 1.039 1.00 0.00 C ATOM 213 CD GLN A 13 -8.868 7.126 2.385 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.726 7.574 2.464 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.578 6.848 3.464 1.00 0.00 N ATOM 0 H GLN A 13 -10.382 4.654 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.531 4.359 -0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.524 6.598 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.809 6.382 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.903 7.697 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.336 6.109 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.524 6.477 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.181 7.004 4.390 1.00 0.00 H new ATOM 224 N ALA A 14 -9.002 3.737 2.465 1.00 0.00 N ATOM 225 CA ALA A 14 -8.727 3.194 3.789 1.00 0.00 C ATOM 226 C ALA A 14 -8.121 1.787 3.627 1.00 0.00 C ATOM 227 O ALA A 14 -7.190 1.413 4.347 1.00 0.00 O ATOM 228 CB ALA A 14 -10.022 3.160 4.601 1.00 0.00 C ATOM 0 H ALA A 14 -9.995 3.806 2.241 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.013 3.819 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.819 2.754 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.418 4.171 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.753 2.531 4.094 1.00 0.00 H new ATOM 234 N VAL A 15 -8.630 1.000 2.670 1.00 0.00 N ATOM 235 CA VAL A 15 -8.136 -0.351 2.391 1.00 0.00 C ATOM 236 C VAL A 15 -6.757 -0.261 1.716 1.00 0.00 C ATOM 237 O VAL A 15 -5.877 -1.085 1.962 1.00 0.00 O ATOM 238 CB VAL A 15 -9.154 -1.158 1.559 1.00 0.00 C ATOM 239 CG1 VAL A 15 -8.749 -2.633 1.422 1.00 0.00 C ATOM 240 CG2 VAL A 15 -10.547 -1.118 2.185 1.00 0.00 C ATOM 0 H VAL A 15 -9.400 1.286 2.065 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.017 -0.895 3.328 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.167 -0.688 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.495 -3.162 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.779 -2.700 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.685 -3.086 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.238 -1.697 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.508 -1.543 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.891 -0.085 2.242 1.00 0.00 H new ATOM 250 N LEU A 16 -6.520 0.755 0.885 1.00 0.00 N ATOM 251 CA LEU A 16 -5.221 0.921 0.237 1.00 0.00 C ATOM 252 C LEU A 16 -4.190 1.302 1.310 1.00 0.00 C ATOM 253 O LEU A 16 -3.100 0.739 1.297 1.00 0.00 O ATOM 254 CB LEU A 16 -5.276 1.811 -1.031 1.00 0.00 C ATOM 255 CG LEU A 16 -5.107 3.335 -0.914 1.00 0.00 C ATOM 256 CD1 LEU A 16 -3.648 3.766 -0.829 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.772 4.062 -2.100 1.00 0.00 C ATOM 0 H LEU A 16 -7.207 1.471 0.647 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.884 -0.022 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.504 1.452 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.237 1.628 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.598 3.614 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.593 4.852 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.185 3.313 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.120 3.442 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.636 5.138 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.314 3.732 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.837 3.831 -2.118 1.00 0.00 H new ATOM 269 N GLN A 17 -4.540 2.140 2.303 1.00 0.00 N ATOM 270 CA GLN A 17 -3.606 2.541 3.361 1.00 0.00 C ATOM 271 C GLN A 17 -3.034 1.338 4.121 1.00 0.00 C ATOM 272 O GLN A 17 -1.807 1.237 4.225 1.00 0.00 O ATOM 273 CB GLN A 17 -4.253 3.549 4.330 1.00 0.00 C ATOM 274 CG GLN A 17 -4.179 4.980 3.779 1.00 0.00 C ATOM 275 CD GLN A 17 -4.705 6.030 4.755 1.00 0.00 C ATOM 276 OE1 GLN A 17 -4.301 6.078 5.914 1.00 0.00 O ATOM 277 NE2 GLN A 17 -5.589 6.911 4.317 1.00 0.00 N ATOM 0 H GLN A 17 -5.469 2.552 2.391 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.769 3.035 2.867 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.295 3.276 4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.750 3.503 5.296 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.144 5.213 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.751 5.036 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.920 6.865 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.940 7.636 4.943 1.00 0.00 H new ATOM 286 N LYS A 18 -3.856 0.390 4.599 1.00 0.00 N ATOM 287 CA LYS A 18 -3.314 -0.774 5.307 1.00 0.00 C ATOM 288 C LYS A 18 -2.472 -1.631 4.364 1.00 0.00 C ATOM 289 O LYS A 18 -1.402 -2.090 4.760 1.00 0.00 O ATOM 290 CB LYS A 18 -4.449 -1.585 5.945 1.00 0.00 C ATOM 291 CG LYS A 18 -5.415 -2.088 4.866 1.00 0.00 C ATOM 292 CD LYS A 18 -6.767 -2.520 5.371 1.00 0.00 C ATOM 293 CE LYS A 18 -6.710 -3.770 6.267 1.00 0.00 C ATOM 294 NZ LYS A 18 -5.988 -4.932 5.677 1.00 0.00 N ATOM 0 H LYS A 18 -4.872 0.406 4.510 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.661 -0.428 6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.036 -2.430 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.986 -0.967 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.555 -1.298 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.952 -2.928 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.217 -1.700 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.418 -2.720 4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.230 -3.503 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.729 -4.076 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.115 -5.765 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.369 -5.133 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.975 -4.709 5.602 1.00 0.00 H new ATOM 308 N LYS A 19 -2.906 -1.794 3.104 1.00 0.00 N ATOM 309 CA LYS A 19 -2.192 -2.589 2.110 1.00 0.00 C ATOM 310 C LYS A 19 -0.759 -2.098 1.950 1.00 0.00 C ATOM 311 O LYS A 19 0.101 -2.930 1.677 1.00 0.00 O ATOM 312 CB LYS A 19 -2.949 -2.611 0.768 1.00 0.00 C ATOM 313 CG LYS A 19 -3.981 -3.750 0.714 1.00 0.00 C ATOM 314 CD LYS A 19 -5.018 -3.571 -0.411 1.00 0.00 C ATOM 315 CE LYS A 19 -5.803 -4.864 -0.668 1.00 0.00 C ATOM 316 NZ LYS A 19 -5.060 -5.841 -1.492 1.00 0.00 N ATOM 0 H LYS A 19 -3.766 -1.374 2.751 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.144 -3.618 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.453 -1.656 0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.237 -2.726 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.461 -4.698 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.499 -3.809 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.710 -2.772 -0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.513 -3.264 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.058 -5.323 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.742 -4.619 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.570 -6.002 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.110 -5.470 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.976 -6.739 -0.974 1.00 0.00 H new ATOM 330 N ILE A 20 -0.454 -0.812 2.166 1.00 0.00 N ATOM 331 CA ILE A 20 0.917 -0.326 2.027 1.00 0.00 C ATOM 332 C ILE A 20 1.819 -1.038 3.044 1.00 0.00 C ATOM 333 O ILE A 20 2.918 -1.468 2.697 1.00 0.00 O ATOM 334 CB ILE A 20 1.022 1.209 2.120 1.00 0.00 C ATOM 335 CG1 ILE A 20 -0.049 1.967 1.307 1.00 0.00 C ATOM 336 CG2 ILE A 20 2.427 1.644 1.662 1.00 0.00 C ATOM 337 CD1 ILE A 20 -0.340 1.413 -0.093 1.00 0.00 C ATOM 0 H ILE A 20 -1.132 -0.099 2.435 1.00 0.00 H new ATOM 0 HA ILE A 20 1.263 -0.571 1.023 1.00 0.00 H new ATOM 0 HB ILE A 20 0.845 1.471 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.978 1.968 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.265 3.006 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.510 2.729 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.178 1.185 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.588 1.326 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.107 2.021 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.571 1.439 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.691 0.384 -0.011 1.00 0.00 H new ATOM 349 N LYS A 21 1.356 -1.200 4.289 1.00 0.00 N ATOM 350 CA LYS A 21 2.107 -1.879 5.351 1.00 0.00 C ATOM 351 C LYS A 21 2.288 -3.358 5.013 1.00 0.00 C ATOM 352 O LYS A 21 3.204 -4.027 5.492 1.00 0.00 O ATOM 353 CB LYS A 21 1.323 -1.867 6.673 1.00 0.00 C ATOM 354 CG LYS A 21 0.763 -0.508 7.122 1.00 0.00 C ATOM 355 CD LYS A 21 0.145 -0.616 8.526 1.00 0.00 C ATOM 356 CE LYS A 21 -1.207 -1.348 8.500 1.00 0.00 C ATOM 357 NZ LYS A 21 -1.623 -1.804 9.842 1.00 0.00 N ATOM 0 H LYS A 21 0.442 -0.861 4.590 1.00 0.00 H new ATOM 0 HA LYS A 21 3.059 -1.355 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.492 -2.567 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.975 -2.245 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.559 0.237 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.010 -0.166 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.832 -1.145 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.010 0.383 8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.969 -0.684 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.140 -2.206 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.539 -2.292 9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.910 -2.458 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.713 -0.984 10.475 1.00 0.00 H new ATOM 371 N GLU A 22 1.347 -3.918 4.265 1.00 0.00 N ATOM 372 CA GLU A 22 1.366 -5.316 3.890 1.00 0.00 C ATOM 373 C GLU A 22 2.354 -5.519 2.747 1.00 0.00 C ATOM 374 O GLU A 22 3.260 -6.337 2.894 1.00 0.00 O ATOM 375 CB GLU A 22 -0.079 -5.804 3.640 1.00 0.00 C ATOM 376 CG GLU A 22 -0.872 -5.635 4.958 1.00 0.00 C ATOM 377 CD GLU A 22 -2.360 -6.012 4.928 1.00 0.00 C ATOM 378 OE1 GLU A 22 -3.213 -5.130 5.215 1.00 0.00 O ATOM 379 OE2 GLU A 22 -2.666 -7.216 4.773 1.00 0.00 O ATOM 0 H GLU A 22 0.544 -3.406 3.901 1.00 0.00 H new ATOM 0 HA GLU A 22 1.736 -5.953 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.543 -5.229 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.080 -6.847 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.385 -6.236 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.792 -4.594 5.270 1.00 0.00 H new ATOM 386 N ARG A 23 2.295 -4.722 1.680 1.00 0.00 N ATOM 387 CA ARG A 23 3.203 -4.848 0.535 1.00 0.00 C ATOM 388 C ARG A 23 4.647 -4.565 0.898 1.00 0.00 C ATOM 389 O ARG A 23 5.546 -5.062 0.226 1.00 0.00 O ATOM 390 CB ARG A 23 2.744 -4.026 -0.678 1.00 0.00 C ATOM 391 CG ARG A 23 2.673 -2.503 -0.495 1.00 0.00 C ATOM 392 CD ARG A 23 3.978 -1.729 -0.754 1.00 0.00 C ATOM 393 NE ARG A 23 4.574 -2.001 -2.086 1.00 0.00 N ATOM 394 CZ ARG A 23 5.853 -2.317 -2.363 1.00 0.00 C ATOM 395 NH1 ARG A 23 6.720 -2.517 -1.372 1.00 0.00 N ATOM 396 NH2 ARG A 23 6.287 -2.426 -3.618 1.00 0.00 N ATOM 0 H ARG A 23 1.615 -3.968 1.583 1.00 0.00 H new ATOM 0 HA ARG A 23 3.158 -5.895 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.419 -4.237 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.756 -4.379 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.904 -2.113 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.347 -2.295 0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.781 -0.661 -0.664 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.703 -1.986 0.019 1.00 0.00 H new ATOM 0 HE ARG A 23 3.941 -1.942 -2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.415 -2.431 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.689 -2.756 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.645 -2.269 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.261 -2.667 -3.802 1.00 0.00 H new ATOM 410 N ILE A 24 4.894 -3.702 1.881 1.00 0.00 N ATOM 411 CA ILE A 24 6.244 -3.381 2.315 1.00 0.00 C ATOM 412 C ILE A 24 6.784 -4.514 3.195 1.00 0.00 C ATOM 413 O ILE A 24 7.902 -4.970 2.969 1.00 0.00 O ATOM 414 CB ILE A 24 6.259 -2.008 3.028 1.00 0.00 C ATOM 415 CG1 ILE A 24 7.698 -1.527 3.276 1.00 0.00 C ATOM 416 CG2 ILE A 24 5.458 -2.011 4.336 1.00 0.00 C ATOM 417 CD1 ILE A 24 7.743 -0.319 4.211 1.00 0.00 C ATOM 0 H ILE A 24 4.164 -3.209 2.395 1.00 0.00 H new ATOM 0 HA ILE A 24 6.907 -3.296 1.454 1.00 0.00 H new ATOM 0 HB ILE A 24 5.767 -1.306 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.283 -2.340 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.163 -1.267 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.503 -1.022 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.419 -2.266 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.881 -2.747 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.778 -0.012 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.180 0.504 3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.303 -0.586 5.172 1.00 0.00 H new ATOM 429 N GLN A 25 5.998 -4.999 4.166 1.00 0.00 N ATOM 430 CA GLN A 25 6.469 -6.041 5.070 1.00 0.00 C ATOM 431 C GLN A 25 6.545 -7.416 4.412 1.00 0.00 C ATOM 432 O GLN A 25 7.539 -8.121 4.566 1.00 0.00 O ATOM 433 CB GLN A 25 5.553 -6.104 6.303 1.00 0.00 C ATOM 434 CG GLN A 25 6.187 -6.968 7.404 1.00 0.00 C ATOM 435 CD GLN A 25 5.224 -7.175 8.562 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.868 -6.231 9.260 1.00 0.00 O ATOM 437 NE2 GLN A 25 4.740 -8.386 8.766 1.00 0.00 N ATOM 0 H GLN A 25 5.043 -4.686 4.340 1.00 0.00 H new ATOM 0 HA GLN A 25 7.485 -5.776 5.361 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.373 -5.098 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.584 -6.517 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.476 -7.934 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.098 -6.491 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.044 -9.162 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.062 -8.545 9.511 1.00 0.00 H new ATOM 446 N ASN A 26 5.486 -7.806 3.702 1.00 0.00 N ATOM 447 CA ASN A 26 5.445 -9.105 3.049 1.00 0.00 C ATOM 448 C ASN A 26 6.313 -9.039 1.792 1.00 0.00 C ATOM 449 O ASN A 26 7.276 -9.790 1.655 1.00 0.00 O ATOM 450 CB ASN A 26 3.985 -9.467 2.670 1.00 0.00 C ATOM 451 CG ASN A 26 3.023 -9.661 3.837 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.558 -10.767 4.101 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.618 -8.586 4.496 1.00 0.00 N ATOM 0 H ASN A 26 4.649 -7.239 3.567 1.00 0.00 H new ATOM 0 HA ASN A 26 5.822 -9.873 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.591 -8.680 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.000 -10.383 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.914 -8.672 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.010 -7.672 4.270 1.00 0.00 H new ATOM 460 N SER A 27 6.069 -8.046 0.931 1.00 0.00 N ATOM 461 CA SER A 27 6.766 -7.835 -0.338 1.00 0.00 C ATOM 462 C SER A 27 6.884 -9.139 -1.145 1.00 0.00 C ATOM 463 O SER A 27 7.836 -9.313 -1.902 1.00 0.00 O ATOM 464 CB SER A 27 8.102 -7.106 -0.087 1.00 0.00 C ATOM 465 OG SER A 27 8.556 -6.384 -1.227 1.00 0.00 O ATOM 0 H SER A 27 5.353 -7.341 1.107 1.00 0.00 H new ATOM 0 HA SER A 27 6.176 -7.178 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.984 -6.418 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.860 -7.834 0.202 1.00 0.00 H new ATOM 0 HG SER A 27 9.404 -5.939 -1.016 1.00 0.00 H new ATOM 471 N LEU A 28 5.897 -10.029 -1.028 1.00 0.00 N ATOM 472 CA LEU A 28 5.856 -11.337 -1.667 1.00 0.00 C ATOM 473 C LEU A 28 4.485 -11.660 -2.268 1.00 0.00 C ATOM 474 O LEU A 28 3.557 -10.844 -2.247 1.00 0.00 O ATOM 475 CB LEU A 28 6.344 -12.381 -0.631 1.00 0.00 C ATOM 476 CG LEU A 28 5.580 -12.401 0.709 1.00 0.00 C ATOM 477 CD1 LEU A 28 4.156 -12.937 0.581 1.00 0.00 C ATOM 478 CD2 LEU A 28 6.368 -13.137 1.793 1.00 0.00 C ATOM 0 H LEU A 28 5.070 -9.846 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 28 6.522 -11.353 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.277 -13.371 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.398 -12.196 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 28 5.481 -11.360 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.673 -12.925 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.592 -12.310 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.185 -13.959 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.800 -13.131 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.542 -14.167 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.325 -12.638 1.949 1.00 0.00 H new ATOM 490 N SER A 29 4.360 -12.882 -2.779 1.00 0.00 N ATOM 491 CA SER A 29 3.179 -13.434 -3.421 1.00 0.00 C ATOM 492 C SER A 29 2.621 -14.687 -2.743 1.00 0.00 C ATOM 493 O SER A 29 1.403 -14.806 -2.615 1.00 0.00 O ATOM 494 CB SER A 29 3.581 -13.820 -4.847 1.00 0.00 C ATOM 495 OG SER A 29 3.535 -12.695 -5.702 1.00 0.00 O ATOM 0 H SER A 29 5.130 -13.551 -2.752 1.00 0.00 H new ATOM 0 HA SER A 29 2.399 -12.675 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.587 -14.241 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.912 -14.595 -5.221 1.00 0.00 H new ATOM 0 HG SER A 29 3.797 -12.962 -6.608 1.00 0.00 H new ATOM 501 N THR A 30 3.477 -15.630 -2.346 1.00 0.00 N ATOM 502 CA THR A 30 3.050 -16.880 -1.726 1.00 0.00 C ATOM 503 C THR A 30 4.138 -17.436 -0.802 1.00 0.00 C ATOM 504 O THR A 30 4.292 -18.653 -0.701 1.00 0.00 O ATOM 505 CB THR A 30 2.627 -17.841 -2.857 1.00 0.00 C ATOM 506 OG1 THR A 30 2.078 -19.049 -2.369 1.00 0.00 O ATOM 507 CG2 THR A 30 3.767 -18.166 -3.831 1.00 0.00 C ATOM 0 H THR A 30 4.488 -15.546 -2.447 1.00 0.00 H new ATOM 0 HA THR A 30 2.191 -16.728 -1.072 1.00 0.00 H new ATOM 0 HB THR A 30 1.855 -17.297 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.581 -19.342 -1.580 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.404 -18.846 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.122 -17.246 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.586 -18.637 -3.288 1.00 0.00 H new ATOM 515 N GLU A 31 4.943 -16.571 -0.178 1.00 0.00 N ATOM 516 CA GLU A 31 6.023 -16.984 0.722 1.00 0.00 C ATOM 517 C GLU A 31 7.066 -17.829 -0.022 1.00 0.00 C ATOM 518 O GLU A 31 7.633 -18.772 0.531 1.00 0.00 O ATOM 519 CB GLU A 31 5.465 -17.642 2.003 1.00 0.00 C ATOM 520 CG GLU A 31 4.359 -16.796 2.655 1.00 0.00 C ATOM 521 CD GLU A 31 3.905 -17.355 4.002 1.00 0.00 C ATOM 522 OE1 GLU A 31 4.765 -17.643 4.863 1.00 0.00 O ATOM 523 OE2 GLU A 31 2.678 -17.482 4.221 1.00 0.00 O ATOM 0 H GLU A 31 4.863 -15.560 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 31 6.557 -16.098 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.070 -18.629 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.276 -17.790 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.720 -15.777 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.504 -16.743 1.982 1.00 0.00 H new ATOM 530 N LYS A 32 7.271 -17.543 -1.312 1.00 0.00 N ATOM 531 CA LYS A 32 8.226 -18.236 -2.172 1.00 0.00 C ATOM 532 C LYS A 32 9.659 -17.867 -1.767 1.00 0.00 C ATOM 533 O LYS A 32 9.853 -16.963 -0.951 1.00 0.00 O ATOM 534 CB LYS A 32 7.895 -17.839 -3.620 1.00 0.00 C ATOM 535 CG LYS A 32 8.466 -18.776 -4.687 1.00 0.00 C ATOM 536 CD LYS A 32 7.598 -18.814 -5.957 1.00 0.00 C ATOM 537 CE LYS A 32 6.281 -19.586 -5.799 1.00 0.00 C ATOM 538 NZ LYS A 32 6.475 -20.977 -5.341 1.00 0.00 N ATOM 0 H LYS A 32 6.762 -16.803 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 32 8.154 -19.319 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.812 -17.800 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.271 -16.832 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.474 -18.454 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.549 -19.782 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.372 -17.791 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.175 -19.265 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.643 -19.062 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.755 -19.594 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.590 -21.509 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.228 -21.425 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.744 -20.977 -4.336 1.00 0.00 H new ATOM 552 N TYR A 33 10.663 -18.548 -2.322 1.00 0.00 N ATOM 553 CA TYR A 33 12.064 -18.266 -2.018 1.00 0.00 C ATOM 554 C TYR A 33 12.534 -16.966 -2.694 1.00 0.00 C ATOM 555 O TYR A 33 11.763 -16.249 -3.343 1.00 0.00 O ATOM 556 CB TYR A 33 12.940 -19.482 -2.393 1.00 0.00 C ATOM 557 CG TYR A 33 12.888 -20.659 -1.431 1.00 0.00 C ATOM 558 CD1 TYR A 33 12.912 -20.445 -0.037 1.00 0.00 C ATOM 559 CD2 TYR A 33 12.888 -21.981 -1.924 1.00 0.00 C ATOM 560 CE1 TYR A 33 12.898 -21.527 0.854 1.00 0.00 C ATOM 561 CE2 TYR A 33 12.858 -23.071 -1.036 1.00 0.00 C ATOM 562 CZ TYR A 33 12.874 -22.847 0.358 1.00 0.00 C ATOM 563 OH TYR A 33 12.914 -23.896 1.222 1.00 0.00 O ATOM 0 H TYR A 33 10.528 -19.306 -2.991 1.00 0.00 H new ATOM 0 HA TYR A 33 12.168 -18.103 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 33 12.639 -19.831 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 13.975 -19.149 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.941 -19.436 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 33 12.911 -22.157 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.906 -21.350 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.823 -24.080 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 33 12.889 -24.736 0.718 1.00 0.00 H new ATOM 573 N GLY A 34 13.813 -16.640 -2.516 1.00 0.00 N ATOM 574 CA GLY A 34 14.501 -15.477 -3.054 1.00 0.00 C ATOM 575 C GLY A 34 15.914 -15.433 -2.470 1.00 0.00 C ATOM 576 O GLY A 34 16.141 -16.021 -1.403 1.00 0.00 O ATOM 0 H GLY A 34 14.434 -17.223 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.543 -15.532 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.959 -14.566 -2.801 1.00 0.00 H new ATOM 580 N SER A 35 16.864 -14.796 -3.158 1.00 0.00 N ATOM 581 CA SER A 35 18.256 -14.647 -2.740 1.00 0.00 C ATOM 582 C SER A 35 19.014 -13.767 -3.740 1.00 0.00 C ATOM 583 O SER A 35 18.872 -13.949 -4.955 1.00 0.00 O ATOM 584 CB SER A 35 18.941 -16.020 -2.661 1.00 0.00 C ATOM 585 OG SER A 35 20.212 -15.934 -2.057 1.00 0.00 O ATOM 0 H SER A 35 16.675 -14.353 -4.057 1.00 0.00 H new ATOM 0 HA SER A 35 18.270 -14.179 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.314 -16.708 -2.093 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.042 -16.435 -3.664 1.00 0.00 H new ATOM 0 HG SER A 35 20.618 -16.825 -2.022 1.00 0.00 H new ATOM 591 N GLY A 36 19.848 -12.859 -3.232 1.00 0.00 N ATOM 592 CA GLY A 36 20.701 -11.923 -3.961 1.00 0.00 C ATOM 593 C GLY A 36 22.080 -11.892 -3.289 1.00 0.00 C ATOM 594 O GLY A 36 22.249 -12.467 -2.207 1.00 0.00 O ATOM 0 H GLY A 36 19.952 -12.752 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.795 -12.229 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.257 -10.927 -3.960 1.00 0.00 H new ATOM 598 N SER A 37 23.065 -11.219 -3.885 1.00 0.00 N ATOM 599 CA SER A 37 24.425 -11.099 -3.357 1.00 0.00 C ATOM 600 C SER A 37 24.924 -9.662 -3.537 1.00 0.00 C ATOM 601 O SER A 37 24.289 -8.858 -4.230 1.00 0.00 O ATOM 602 CB SER A 37 25.325 -12.131 -4.044 1.00 0.00 C ATOM 603 OG SER A 37 26.458 -12.426 -3.257 1.00 0.00 O ATOM 0 H SER A 37 22.936 -10.730 -4.771 1.00 0.00 H new ATOM 0 HA SER A 37 24.443 -11.310 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 37 24.760 -13.044 -4.229 1.00 0.00 H new ATOM 0 HB3 SER A 37 25.643 -11.751 -5.015 1.00 0.00 H new ATOM 0 HG SER A 37 27.014 -13.088 -3.719 1.00 0.00 H new ATOM 609 N GLY A 38 26.013 -9.299 -2.861 1.00 0.00 N ATOM 610 CA GLY A 38 26.610 -7.966 -2.906 1.00 0.00 C ATOM 611 C GLY A 38 27.737 -7.866 -3.925 1.00 0.00 C ATOM 612 O GLY A 38 28.185 -8.882 -4.460 1.00 0.00 O ATOM 0 H GLY A 38 26.518 -9.942 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 25.839 -7.234 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 38 26.994 -7.710 -1.918 1.00 0.00 H new ATOM 616 N SER A 39 28.227 -6.647 -4.165 1.00 0.00 N ATOM 617 CA SER A 39 29.313 -6.395 -5.109 1.00 0.00 C ATOM 618 C SER A 39 30.574 -6.009 -4.329 1.00 0.00 C ATOM 619 O SER A 39 31.260 -6.899 -3.823 1.00 0.00 O ATOM 620 CB SER A 39 28.894 -5.376 -6.177 1.00 0.00 C ATOM 621 OG SER A 39 27.711 -5.780 -6.843 1.00 0.00 O ATOM 0 H SER A 39 27.878 -5.805 -3.707 1.00 0.00 H new ATOM 0 HA SER A 39 29.549 -7.300 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 39 28.737 -4.403 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 39 29.699 -5.256 -6.903 1.00 0.00 H new ATOM 0 HG SER A 39 27.469 -5.110 -7.516 1.00 0.00 H new ATOM 627 N GLY A 40 30.858 -4.713 -4.183 1.00 0.00 N ATOM 628 CA GLY A 40 32.009 -4.158 -3.489 1.00 0.00 C ATOM 629 C GLY A 40 32.138 -2.683 -3.867 1.00 0.00 C ATOM 630 O GLY A 40 31.232 -2.133 -4.500 1.00 0.00 O ATOM 0 H GLY A 40 30.254 -3.987 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.888 -4.264 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 40 32.914 -4.700 -3.763 1.00 0.00 H new ATOM 634 N SER A 41 33.237 -2.044 -3.468 1.00 0.00 N ATOM 635 CA SER A 41 33.539 -0.640 -3.739 1.00 0.00 C ATOM 636 C SER A 41 35.035 -0.514 -4.058 1.00 0.00 C ATOM 637 O SER A 41 35.776 -1.486 -3.906 1.00 0.00 O ATOM 638 CB SER A 41 33.145 0.220 -2.527 1.00 0.00 C ATOM 639 OG SER A 41 31.798 -0.011 -2.154 1.00 0.00 O ATOM 0 H SER A 41 33.968 -2.507 -2.928 1.00 0.00 H new ATOM 0 HA SER A 41 32.967 -0.283 -4.595 1.00 0.00 H new ATOM 0 HB2 SER A 41 33.802 -0.007 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.284 1.275 -2.765 1.00 0.00 H new ATOM 0 HG SER A 41 31.573 0.547 -1.380 1.00 0.00 H new ATOM 645 N GLY A 42 35.485 0.664 -4.504 1.00 0.00 N ATOM 646 CA GLY A 42 36.879 0.930 -4.844 1.00 0.00 C ATOM 647 C GLY A 42 37.397 2.166 -4.114 1.00 0.00 C ATOM 648 O GLY A 42 36.625 2.913 -3.511 1.00 0.00 O ATOM 0 H GLY A 42 34.876 1.471 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 42 37.491 0.067 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 42 36.973 1.074 -5.920 1.00 0.00 H new ATOM 652 N SER A 43 38.714 2.360 -4.148 1.00 0.00 N ATOM 653 CA SER A 43 39.412 3.476 -3.526 1.00 0.00 C ATOM 654 C SER A 43 39.258 4.758 -4.356 1.00 0.00 C ATOM 655 O SER A 43 38.908 4.703 -5.535 1.00 0.00 O ATOM 656 CB SER A 43 40.892 3.082 -3.393 1.00 0.00 C ATOM 657 OG SER A 43 41.363 2.425 -4.562 1.00 0.00 O ATOM 0 H SER A 43 39.345 1.718 -4.628 1.00 0.00 H new ATOM 0 HA SER A 43 38.986 3.685 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.492 3.973 -3.209 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.019 2.428 -2.530 1.00 0.00 H new ATOM 0 HG SER A 43 42.307 2.189 -4.447 1.00 0.00 H new ATOM 663 N GLY A 44 39.553 5.911 -3.751 1.00 0.00 N ATOM 664 CA GLY A 44 39.487 7.220 -4.387 1.00 0.00 C ATOM 665 C GLY A 44 40.884 7.835 -4.401 1.00 0.00 C ATOM 666 O GLY A 44 41.722 7.491 -3.568 1.00 0.00 O ATOM 0 H GLY A 44 39.853 5.956 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 44 39.107 7.126 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 44 38.796 7.867 -3.847 1.00 0.00 H new ATOM 670 N SER A 45 41.139 8.752 -5.334 1.00 0.00 N ATOM 671 CA SER A 45 42.423 9.429 -5.475 1.00 0.00 C ATOM 672 C SER A 45 42.494 10.596 -4.480 1.00 0.00 C ATOM 673 O SER A 45 42.443 11.759 -4.882 1.00 0.00 O ATOM 674 CB SER A 45 42.585 9.866 -6.940 1.00 0.00 C ATOM 675 OG SER A 45 43.847 10.452 -7.174 1.00 0.00 O ATOM 0 H SER A 45 40.447 9.048 -6.022 1.00 0.00 H new ATOM 0 HA SER A 45 43.255 8.766 -5.237 1.00 0.00 H new ATOM 0 HB2 SER A 45 42.458 9.003 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.800 10.578 -7.196 1.00 0.00 H new ATOM 0 HG SER A 45 43.916 10.716 -8.115 1.00 0.00 H new ATOM 681 N GLY A 46 42.614 10.306 -3.186 1.00 0.00 N ATOM 682 CA GLY A 46 42.690 11.312 -2.139 1.00 0.00 C ATOM 683 C GLY A 46 42.667 10.642 -0.772 1.00 0.00 C ATOM 684 O GLY A 46 42.845 9.430 -0.668 1.00 0.00 O ATOM 0 H GLY A 46 42.662 9.350 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 46 43.603 11.897 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 46 41.854 12.005 -2.228 1.00 0.00 H new ATOM 688 N SER A 47 42.518 11.434 0.287 1.00 0.00 N ATOM 689 CA SER A 47 42.458 10.956 1.661 1.00 0.00 C ATOM 690 C SER A 47 41.448 11.819 2.423 1.00 0.00 C ATOM 691 O SER A 47 41.081 12.903 1.967 1.00 0.00 O ATOM 692 CB SER A 47 43.862 10.945 2.287 1.00 0.00 C ATOM 693 OG SER A 47 44.596 12.120 1.999 1.00 0.00 O ATOM 0 H SER A 47 42.434 12.448 0.209 1.00 0.00 H new ATOM 0 HA SER A 47 42.113 9.923 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.773 10.832 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 47 44.412 10.078 1.921 1.00 0.00 H new ATOM 0 HG SER A 47 45.479 12.065 2.420 1.00 0.00 H new ATOM 699 N GLY A 48 41.014 11.347 3.589 1.00 0.00 N ATOM 700 CA GLY A 48 40.045 11.993 4.458 1.00 0.00 C ATOM 701 C GLY A 48 39.268 10.892 5.173 1.00 0.00 C ATOM 702 O GLY A 48 39.690 9.733 5.157 1.00 0.00 O ATOM 0 H GLY A 48 41.347 10.461 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 48 40.546 12.639 5.179 1.00 0.00 H new ATOM 0 HA3 GLY A 48 39.371 12.624 3.879 1.00 0.00 H new ATOM 706 N SER A 49 38.179 11.237 5.856 1.00 0.00 N ATOM 707 CA SER A 49 37.353 10.270 6.558 1.00 0.00 C ATOM 708 C SER A 49 35.957 10.864 6.752 1.00 0.00 C ATOM 709 O SER A 49 35.771 12.074 6.614 1.00 0.00 O ATOM 710 CB SER A 49 38.006 9.897 7.898 1.00 0.00 C ATOM 711 OG SER A 49 37.707 8.556 8.226 1.00 0.00 O ATOM 0 H SER A 49 37.848 12.198 5.936 1.00 0.00 H new ATOM 0 HA SER A 49 37.262 9.353 5.975 1.00 0.00 H new ATOM 0 HB2 SER A 49 39.086 10.032 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 49 37.646 10.561 8.684 1.00 0.00 H new ATOM 0 HG SER A 49 38.129 8.326 9.080 1.00 0.00 H new ATOM 717 N GLY A 50 34.999 10.013 7.106 1.00 0.00 N ATOM 718 CA GLY A 50 33.602 10.336 7.341 1.00 0.00 C ATOM 719 C GLY A 50 32.769 9.082 7.085 1.00 0.00 C ATOM 720 O GLY A 50 33.254 8.133 6.468 1.00 0.00 O ATOM 0 H GLY A 50 35.192 9.021 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 50 33.460 10.684 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A 50 33.283 11.144 6.683 1.00 0.00 H new ATOM 724 N SER A 51 31.535 9.057 7.580 1.00 0.00 N ATOM 725 CA SER A 51 30.572 7.969 7.449 1.00 0.00 C ATOM 726 C SER A 51 29.256 8.488 8.038 1.00 0.00 C ATOM 727 O SER A 51 29.281 9.457 8.806 1.00 0.00 O ATOM 728 CB SER A 51 31.067 6.740 8.240 1.00 0.00 C ATOM 729 OG SER A 51 30.295 5.576 8.000 1.00 0.00 O ATOM 0 H SER A 51 31.159 9.841 8.114 1.00 0.00 H new ATOM 0 HA SER A 51 30.443 7.666 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 51 32.106 6.540 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 51 31.047 6.969 9.305 1.00 0.00 H new ATOM 0 HG SER A 51 30.655 4.831 8.525 1.00 0.00 H new ATOM 735 N GLY A 52 28.120 7.860 7.732 1.00 0.00 N ATOM 736 CA GLY A 52 26.826 8.267 8.265 1.00 0.00 C ATOM 737 C GLY A 52 25.655 7.708 7.467 1.00 0.00 C ATOM 738 O GLY A 52 25.840 7.097 6.411 1.00 0.00 O ATOM 0 H GLY A 52 28.075 7.055 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 26.745 7.936 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 52 26.768 9.355 8.273 1.00 0.00 H new ATOM 742 N SER A 53 24.439 7.923 7.967 1.00 0.00 N ATOM 743 CA SER A 53 23.154 7.517 7.407 1.00 0.00 C ATOM 744 C SER A 53 22.036 8.153 8.242 1.00 0.00 C ATOM 745 O SER A 53 22.264 8.563 9.384 1.00 0.00 O ATOM 746 CB SER A 53 23.017 5.986 7.402 1.00 0.00 C ATOM 747 OG SER A 53 23.715 5.450 6.290 1.00 0.00 O ATOM 0 H SER A 53 24.319 8.427 8.846 1.00 0.00 H new ATOM 0 HA SER A 53 23.084 7.856 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 53 23.415 5.572 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 53 21.965 5.705 7.354 1.00 0.00 H new ATOM 0 HG SER A 53 24.450 6.050 6.044 1.00 0.00 H new ATOM 753 N GLY A 54 20.829 8.194 7.680 1.00 0.00 N ATOM 754 CA GLY A 54 19.616 8.738 8.263 1.00 0.00 C ATOM 755 C GLY A 54 18.416 8.294 7.423 1.00 0.00 C ATOM 756 O GLY A 54 18.600 7.771 6.320 1.00 0.00 O ATOM 0 H GLY A 54 20.668 7.822 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 54 19.505 8.392 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.670 9.826 8.297 1.00 0.00 H new ATOM 760 N SER A 55 17.199 8.449 7.945 1.00 0.00 N ATOM 761 CA SER A 55 15.936 8.076 7.305 1.00 0.00 C ATOM 762 C SER A 55 14.765 8.830 7.951 1.00 0.00 C ATOM 763 O SER A 55 14.933 9.460 8.999 1.00 0.00 O ATOM 764 CB SER A 55 15.683 6.570 7.513 1.00 0.00 C ATOM 765 OG SER A 55 16.745 5.755 7.055 1.00 0.00 O ATOM 0 H SER A 55 17.060 8.857 8.869 1.00 0.00 H new ATOM 0 HA SER A 55 16.005 8.323 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.519 6.379 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.767 6.287 6.993 1.00 0.00 H new ATOM 0 HG SER A 55 16.527 4.813 7.215 1.00 0.00 H new ATOM 771 N GLY A 56 13.569 8.710 7.377 1.00 0.00 N ATOM 772 CA GLY A 56 12.348 9.330 7.870 1.00 0.00 C ATOM 773 C GLY A 56 11.213 9.183 6.857 1.00 0.00 C ATOM 774 O GLY A 56 11.469 8.758 5.728 1.00 0.00 O ATOM 0 H GLY A 56 13.422 8.161 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.059 8.871 8.815 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.527 10.386 8.070 1.00 0.00 H new ATOM 778 N SER A 57 9.994 9.545 7.267 1.00 0.00 N ATOM 779 CA SER A 57 8.711 9.550 6.552 1.00 0.00 C ATOM 780 C SER A 57 7.539 9.362 7.516 1.00 0.00 C ATOM 781 O SER A 57 7.648 8.640 8.511 1.00 0.00 O ATOM 782 CB SER A 57 8.614 8.582 5.355 1.00 0.00 C ATOM 783 OG SER A 57 8.946 7.248 5.694 1.00 0.00 O ATOM 0 H SER A 57 9.867 9.882 8.221 1.00 0.00 H new ATOM 0 HA SER A 57 8.653 10.542 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.600 8.608 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.278 8.926 4.562 1.00 0.00 H new ATOM 0 HG SER A 57 9.921 7.146 5.706 1.00 0.00 H new ATOM 789 N GLY A 58 6.410 10.005 7.210 1.00 0.00 N ATOM 790 CA GLY A 58 5.186 9.952 7.999 1.00 0.00 C ATOM 791 C GLY A 58 4.135 9.136 7.263 1.00 0.00 C ATOM 792 O GLY A 58 3.711 8.085 7.748 1.00 0.00 O ATOM 0 H GLY A 58 6.324 10.593 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.389 9.507 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.815 10.961 8.181 1.00 0.00 H new ATOM 796 N TYR A 59 3.692 9.636 6.112 1.00 0.00 N ATOM 797 CA TYR A 59 2.693 9.008 5.249 1.00 0.00 C ATOM 798 C TYR A 59 3.389 8.059 4.267 1.00 0.00 C ATOM 799 O TYR A 59 4.584 7.787 4.415 1.00 0.00 O ATOM 800 CB TYR A 59 1.895 10.118 4.541 1.00 0.00 C ATOM 801 CG TYR A 59 1.275 11.092 5.525 1.00 0.00 C ATOM 802 CD1 TYR A 59 0.101 10.735 6.210 1.00 0.00 C ATOM 803 CD2 TYR A 59 1.917 12.307 5.829 1.00 0.00 C ATOM 804 CE1 TYR A 59 -0.412 11.560 7.226 1.00 0.00 C ATOM 805 CE2 TYR A 59 1.404 13.143 6.835 1.00 0.00 C ATOM 806 CZ TYR A 59 0.248 12.766 7.551 1.00 0.00 C ATOM 807 OH TYR A 59 -0.206 13.549 8.565 1.00 0.00 O ATOM 0 H TYR A 59 4.031 10.523 5.740 1.00 0.00 H new ATOM 0 HA TYR A 59 1.992 8.406 5.827 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.553 10.660 3.861 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.110 9.668 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.411 9.819 5.954 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.806 12.597 5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.308 11.273 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.896 14.077 7.061 1.00 0.00 H new ATOM 0 HH TYR A 59 0.368 14.339 8.651 1.00 0.00 H new ATOM 817 N GLN A3288 2.651 7.534 3.279 1.00 0.00 N ATOM 818 CA GLN A3288 3.224 6.634 2.281 1.00 0.00 C ATOM 819 C GLN A3288 4.381 7.325 1.560 1.00 0.00 C ATOM 820 O GLN A3288 4.412 8.553 1.447 1.00 0.00 O ATOM 821 CB GLN A3288 2.159 6.172 1.275 1.00 0.00 C ATOM 822 CG GLN A3288 1.691 7.298 0.336 1.00 0.00 C ATOM 823 CD GLN A3288 0.459 6.868 -0.437 1.00 0.00 C ATOM 824 OE1 GLN A3288 -0.651 6.975 0.073 1.00 0.00 O ATOM 825 NE2 GLN A3288 0.612 6.338 -1.636 1.00 0.00 N ATOM 0 H GLN A3288 1.656 7.720 3.154 1.00 0.00 H new ATOM 0 HA GLN A3288 3.603 5.749 2.792 1.00 0.00 H new ATOM 0 HB2 GLN A3288 2.561 5.353 0.679 1.00 0.00 H new ATOM 0 HB3 GLN A3288 1.300 5.779 1.818 1.00 0.00 H new ATOM 0 HG2 GLN A3288 1.469 8.194 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A3288 2.491 7.557 -0.358 1.00 0.00 H new ATOM 0 HE21 GLN A3288 1.544 6.258 -2.043 1.00 0.00 H new ATOM 0 HE22 GLN A3288 -0.202 6.009 -2.156 1.00 0.00 H new ATOM 834 N ILE A3289 5.289 6.525 1.015 1.00 0.00 N ATOM 835 CA ILE A3289 6.464 6.990 0.304 1.00 0.00 C ATOM 836 C ILE A3289 6.121 7.007 -1.187 1.00 0.00 C ATOM 837 O ILE A3289 6.124 5.979 -1.864 1.00 0.00 O ATOM 838 CB ILE A3289 7.702 6.154 0.686 1.00 0.00 C ATOM 839 CG1 ILE A3289 7.876 6.088 2.223 1.00 0.00 C ATOM 840 CG2 ILE A3289 8.934 6.795 0.031 1.00 0.00 C ATOM 841 CD1 ILE A3289 9.051 5.219 2.672 1.00 0.00 C ATOM 0 H ILE A3289 5.223 5.508 1.059 1.00 0.00 H new ATOM 0 HA ILE A3289 6.740 8.006 0.586 1.00 0.00 H new ATOM 0 HB ILE A3289 7.577 5.131 0.331 1.00 0.00 H new ATOM 0 HG12 ILE A3289 8.015 7.098 2.608 1.00 0.00 H new ATOM 0 HG13 ILE A3289 6.959 5.701 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A3289 9.823 6.220 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A3289 8.807 6.804 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.047 7.818 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A3289 9.110 5.221 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.905 4.198 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.977 5.617 2.258 1.00 0.00 H new ATOM 853 N GLU A3290 5.771 8.188 -1.681 1.00 0.00 N ATOM 854 CA GLU A3290 5.391 8.470 -3.061 1.00 0.00 C ATOM 855 C GLU A3290 6.558 8.306 -4.043 1.00 0.00 C ATOM 856 O GLU A3290 6.360 8.295 -5.249 1.00 0.00 O ATOM 857 CB GLU A3290 4.802 9.885 -3.082 1.00 0.00 C ATOM 858 CG GLU A3290 4.008 10.230 -4.349 1.00 0.00 C ATOM 859 CD GLU A3290 3.004 11.344 -4.041 1.00 0.00 C ATOM 860 OE1 GLU A3290 1.991 11.053 -3.358 1.00 0.00 O ATOM 861 OE2 GLU A3290 3.274 12.537 -4.335 1.00 0.00 O ATOM 0 H GLU A3290 5.743 9.023 -1.096 1.00 0.00 H new ATOM 0 HA GLU A3290 4.650 7.746 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A3290 4.150 10.005 -2.217 1.00 0.00 H new ATOM 0 HB3 GLU A3290 5.614 10.604 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A3290 4.687 10.548 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A3290 3.485 9.346 -4.714 1.00 0.00 H new ATOM 868 N THR A3291 7.765 8.094 -3.532 1.00 0.00 N ATOM 869 CA THR A3291 8.982 7.921 -4.302 1.00 0.00 C ATOM 870 C THR A3291 9.669 6.624 -3.848 1.00 0.00 C ATOM 871 O THR A3291 10.823 6.642 -3.401 1.00 0.00 O ATOM 872 CB THR A3291 9.781 9.240 -4.200 1.00 0.00 C ATOM 873 OG1 THR A3291 11.012 9.225 -4.895 1.00 0.00 O ATOM 874 CG2 THR A3291 10.057 9.708 -2.762 1.00 0.00 C ATOM 0 H THR A3291 7.925 8.036 -2.526 1.00 0.00 H new ATOM 0 HA THR A3291 8.832 7.767 -5.371 1.00 0.00 H new ATOM 0 HB THR A3291 9.105 9.949 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A3291 11.510 8.414 -4.661 1.00 0.00 H new ATOM 0 HG21 THR A3291 10.622 10.640 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.112 9.869 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A3291 10.633 8.947 -2.236 1.00 0.00 H new ATOM 882 N PHE A3292 8.958 5.487 -3.920 1.00 0.00 N ATOM 883 CA PHE A3292 9.501 4.188 -3.529 1.00 0.00 C ATOM 884 C PHE A3292 8.688 3.047 -4.143 1.00 0.00 C ATOM 885 O PHE A3292 9.197 2.317 -4.990 1.00 0.00 O ATOM 886 CB PHE A3292 9.548 4.090 -1.993 1.00 0.00 C ATOM 887 CG PHE A3292 10.136 2.816 -1.411 1.00 0.00 C ATOM 888 CD1 PHE A3292 11.298 2.239 -1.957 1.00 0.00 C ATOM 889 CD2 PHE A3292 9.544 2.233 -0.276 1.00 0.00 C ATOM 890 CE1 PHE A3292 11.835 1.067 -1.399 1.00 0.00 C ATOM 891 CE2 PHE A3292 10.079 1.059 0.285 1.00 0.00 C ATOM 892 CZ PHE A3292 11.224 0.473 -0.279 1.00 0.00 C ATOM 0 H PHE A3292 7.994 5.449 -4.251 1.00 0.00 H new ATOM 0 HA PHE A3292 10.517 4.095 -3.912 1.00 0.00 H new ATOM 0 HB2 PHE A3292 10.124 4.935 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A3292 8.532 4.201 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A3292 11.778 2.699 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A3292 8.672 2.690 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A3292 12.719 0.621 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A3292 9.610 0.609 1.148 1.00 0.00 H new ATOM 0 HZ PHE A3292 11.635 -0.431 0.146 1.00 0.00 H new ATOM 902 N PHE A3293 7.420 2.918 -3.749 1.00 0.00 N ATOM 903 CA PHE A3293 6.495 1.879 -4.213 1.00 0.00 C ATOM 904 C PHE A3293 5.289 2.454 -4.956 1.00 0.00 C ATOM 905 O PHE A3293 4.324 1.733 -5.205 1.00 0.00 O ATOM 906 CB PHE A3293 6.068 0.999 -3.020 1.00 0.00 C ATOM 907 CG PHE A3293 5.862 1.693 -1.679 1.00 0.00 C ATOM 908 CD1 PHE A3293 6.408 1.145 -0.501 1.00 0.00 C ATOM 909 CD2 PHE A3293 5.155 2.907 -1.604 1.00 0.00 C ATOM 910 CE1 PHE A3293 6.268 1.817 0.729 1.00 0.00 C ATOM 911 CE2 PHE A3293 5.032 3.580 -0.383 1.00 0.00 C ATOM 912 CZ PHE A3293 5.592 3.048 0.789 1.00 0.00 C ATOM 0 H PHE A3293 6.993 3.554 -3.076 1.00 0.00 H new ATOM 0 HA PHE A3293 7.019 1.259 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A3293 5.138 0.497 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A3293 6.822 0.223 -2.886 1.00 0.00 H new ATOM 0 HD1 PHE A3293 6.937 0.204 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A3293 4.705 3.322 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A3293 6.681 1.385 1.629 1.00 0.00 H new ATOM 0 HE2 PHE A3293 4.500 4.519 -0.342 1.00 0.00 H new ATOM 0 HZ PHE A3293 5.505 3.578 1.726 1.00 0.00 H new ATOM 922 N ALA A3294 5.318 3.737 -5.320 1.00 0.00 N ATOM 923 CA ALA A3294 4.221 4.416 -5.997 1.00 0.00 C ATOM 924 C ALA A3294 3.684 3.681 -7.228 1.00 0.00 C ATOM 925 O ALA A3294 2.496 3.789 -7.518 1.00 0.00 O ATOM 926 CB ALA A3294 4.669 5.826 -6.358 1.00 0.00 C ATOM 0 H ALA A3294 6.121 4.341 -5.148 1.00 0.00 H new ATOM 0 HA ALA A3294 3.382 4.440 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A3294 3.857 6.347 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A3294 4.935 6.367 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A3294 5.536 5.775 -7.017 1.00 0.00 H new ATOM 932 N GLN A3295 4.525 2.933 -7.946 1.00 0.00 N ATOM 933 CA GLN A3295 4.073 2.210 -9.139 1.00 0.00 C ATOM 934 C GLN A3295 3.237 0.993 -8.759 1.00 0.00 C ATOM 935 O GLN A3295 2.392 0.549 -9.531 1.00 0.00 O ATOM 936 CB GLN A3295 5.261 1.779 -9.998 1.00 0.00 C ATOM 937 CG GLN A3295 6.183 2.949 -10.364 1.00 0.00 C ATOM 938 CD GLN A3295 5.510 4.030 -11.217 1.00 0.00 C ATOM 939 OE1 GLN A3295 5.675 4.056 -12.431 1.00 0.00 O ATOM 940 NE2 GLN A3295 4.772 4.966 -10.641 1.00 0.00 N ATOM 0 H GLN A3295 5.514 2.812 -7.726 1.00 0.00 H new ATOM 0 HA GLN A3295 3.450 2.891 -9.719 1.00 0.00 H new ATOM 0 HB2 GLN A3295 5.835 1.023 -9.463 1.00 0.00 H new ATOM 0 HB3 GLN A3295 4.893 1.312 -10.912 1.00 0.00 H new ATOM 0 HG2 GLN A3295 6.556 3.405 -9.447 1.00 0.00 H new ATOM 0 HG3 GLN A3295 7.048 2.562 -10.903 1.00 0.00 H new ATOM 0 HE21 GLN A3295 4.629 4.953 -9.631 1.00 0.00 H new ATOM 0 HE22 GLN A3295 4.347 5.700 -11.207 1.00 0.00 H new ATOM 949 N ASP A3296 3.538 0.370 -7.624 1.00 0.00 N ATOM 950 CA ASP A3296 2.773 -0.781 -7.149 1.00 0.00 C ATOM 951 C ASP A3296 1.492 -0.296 -6.483 1.00 0.00 C ATOM 952 O ASP A3296 0.454 -0.950 -6.557 1.00 0.00 O ATOM 953 CB ASP A3296 3.552 -1.598 -6.122 1.00 0.00 C ATOM 954 CG ASP A3296 4.724 -2.359 -6.700 1.00 0.00 C ATOM 955 OD1 ASP A3296 4.535 -3.366 -7.420 1.00 0.00 O ATOM 956 OD2 ASP A3296 5.872 -1.988 -6.386 1.00 0.00 O ATOM 0 H ASP A3296 4.308 0.643 -7.014 1.00 0.00 H new ATOM 0 HA ASP A3296 2.561 -1.410 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A3296 3.916 -0.929 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A3296 2.873 -2.305 -5.645 1.00 0.00 H new ATOM 961 N ILE A3297 1.583 0.859 -5.823 1.00 0.00 N ATOM 962 CA ILE A3297 0.520 1.530 -5.097 1.00 0.00 C ATOM 963 C ILE A3297 -0.663 1.756 -6.022 1.00 0.00 C ATOM 964 O ILE A3297 -1.801 1.478 -5.638 1.00 0.00 O ATOM 965 CB ILE A3297 1.080 2.842 -4.485 1.00 0.00 C ATOM 966 CG1 ILE A3297 1.296 2.738 -2.968 1.00 0.00 C ATOM 967 CG2 ILE A3297 0.244 4.098 -4.781 1.00 0.00 C ATOM 968 CD1 ILE A3297 2.226 1.589 -2.558 1.00 0.00 C ATOM 0 H ILE A3297 2.460 1.379 -5.783 1.00 0.00 H new ATOM 0 HA ILE A3297 0.158 0.916 -4.272 1.00 0.00 H new ATOM 0 HB ILE A3297 2.039 2.963 -4.988 1.00 0.00 H new ATOM 0 HG12 ILE A3297 1.710 3.678 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A3297 0.330 2.605 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A3297 0.712 4.965 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A3297 0.188 4.252 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A3297 -0.762 3.968 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A3297 2.332 1.576 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A3297 1.803 0.642 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A3297 3.204 1.731 -3.017 1.00 0.00 H new ATOM 980 N GLU A3298 -0.398 2.262 -7.227 1.00 0.00 N ATOM 981 CA GLU A3298 -1.461 2.534 -8.170 1.00 0.00 C ATOM 982 C GLU A3298 -2.119 1.232 -8.598 1.00 0.00 C ATOM 983 O GLU A3298 -3.328 1.190 -8.765 1.00 0.00 O ATOM 984 CB GLU A3298 -0.958 3.339 -9.374 1.00 0.00 C ATOM 985 CG GLU A3298 0.250 2.727 -10.094 1.00 0.00 C ATOM 986 CD GLU A3298 0.190 3.002 -11.590 1.00 0.00 C ATOM 987 OE1 GLU A3298 0.734 4.045 -12.018 1.00 0.00 O ATOM 988 OE2 GLU A3298 -0.489 2.242 -12.315 1.00 0.00 O ATOM 0 H GLU A3298 0.538 2.487 -7.563 1.00 0.00 H new ATOM 0 HA GLU A3298 -2.211 3.152 -7.676 1.00 0.00 H new ATOM 0 HB2 GLU A3298 -1.774 3.446 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A3298 -0.694 4.342 -9.039 1.00 0.00 H new ATOM 0 HG2 GLU A3298 1.171 3.139 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A3298 0.276 1.651 -9.919 1.00 0.00 H new ATOM 995 N SER A3299 -1.345 0.161 -8.732 1.00 0.00 N ATOM 996 CA SER A3299 -1.849 -1.134 -9.165 1.00 0.00 C ATOM 997 C SER A3299 -2.736 -1.762 -8.090 1.00 0.00 C ATOM 998 O SER A3299 -3.839 -2.228 -8.384 1.00 0.00 O ATOM 999 CB SER A3299 -0.668 -2.025 -9.567 1.00 0.00 C ATOM 1000 OG SER A3299 -1.095 -3.101 -10.380 1.00 0.00 O ATOM 0 H SER A3299 -0.343 0.169 -8.541 1.00 0.00 H new ATOM 0 HA SER A3299 -2.486 -1.013 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A3299 0.073 -1.432 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A3299 -0.180 -2.412 -8.673 1.00 0.00 H new ATOM 0 HG SER A3299 -0.323 -3.653 -10.624 1.00 0.00 H new ATOM 1006 N VAL A3300 -2.305 -1.740 -6.828 1.00 0.00 N ATOM 1007 CA VAL A3300 -3.093 -2.333 -5.759 1.00 0.00 C ATOM 1008 C VAL A3300 -4.342 -1.483 -5.527 1.00 0.00 C ATOM 1009 O VAL A3300 -5.430 -2.019 -5.322 1.00 0.00 O ATOM 1010 CB VAL A3300 -2.214 -2.605 -4.521 1.00 0.00 C ATOM 1011 CG1 VAL A3300 -1.782 -1.347 -3.762 1.00 0.00 C ATOM 1012 CG2 VAL A3300 -2.919 -3.584 -3.580 1.00 0.00 C ATOM 0 H VAL A3300 -1.424 -1.322 -6.528 1.00 0.00 H new ATOM 0 HA VAL A3300 -3.462 -3.321 -6.034 1.00 0.00 H new ATOM 0 HB VAL A3300 -1.292 -3.046 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A3300 -1.168 -1.631 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A3300 -1.205 -0.702 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A3300 -2.665 -0.812 -3.413 1.00 0.00 H new ATOM 0 HG21 VAL A3300 -2.290 -3.769 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -3.869 -3.158 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A3300 -3.101 -4.523 -4.102 1.00 0.00 H new ATOM 1022 N GLN A3301 -4.242 -0.150 -5.572 1.00 0.00 N ATOM 1023 CA GLN A3301 -5.423 0.680 -5.380 1.00 0.00 C ATOM 1024 C GLN A3301 -6.364 0.556 -6.582 1.00 0.00 C ATOM 1025 O GLN A3301 -7.576 0.673 -6.402 1.00 0.00 O ATOM 1026 CB GLN A3301 -5.073 2.094 -4.934 1.00 0.00 C ATOM 1027 CG GLN A3301 -4.442 2.987 -5.999 1.00 0.00 C ATOM 1028 CD GLN A3301 -5.366 4.141 -6.357 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -5.184 5.264 -5.891 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -6.408 3.875 -7.126 1.00 0.00 N ATOM 0 H GLN A3301 -3.375 0.362 -5.736 1.00 0.00 H new ATOM 0 HA GLN A3301 -6.000 0.305 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -5.981 2.577 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -4.389 2.029 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A3301 -3.491 3.377 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A3301 -4.226 2.399 -6.891 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -6.538 2.936 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -7.082 4.609 -7.344 1.00 0.00 H new ATOM 1039 N LYS A3302 -5.838 0.316 -7.792 1.00 0.00 N ATOM 1040 CA LYS A3302 -6.622 0.127 -9.015 1.00 0.00 C ATOM 1041 C LYS A3302 -7.570 -1.063 -8.834 1.00 0.00 C ATOM 1042 O LYS A3302 -8.622 -1.117 -9.474 1.00 0.00 O ATOM 1043 CB LYS A3302 -5.719 0.005 -10.255 1.00 0.00 C ATOM 1044 CG LYS A3302 -5.451 1.388 -10.879 1.00 0.00 C ATOM 1045 CD LYS A3302 -4.247 1.408 -11.835 1.00 0.00 C ATOM 1046 CE LYS A3302 -4.475 0.637 -13.139 1.00 0.00 C ATOM 1047 NZ LYS A3302 -5.317 1.374 -14.103 1.00 0.00 N ATOM 0 H LYS A3302 -4.832 0.247 -7.948 1.00 0.00 H new ATOM 0 HA LYS A3302 -7.234 1.011 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A3302 -4.774 -0.462 -9.977 1.00 0.00 H new ATOM 0 HB3 LYS A3302 -6.192 -0.645 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -6.340 1.712 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A3302 -5.283 2.111 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A3302 -4.003 2.443 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A3302 -3.382 0.987 -11.322 1.00 0.00 H new ATOM 0 HE2 LYS A3302 -3.511 0.418 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A3302 -4.944 -0.320 -12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 -5.437 0.805 -14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 -6.248 1.561 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 -4.860 2.276 -14.345 1.00 0.00 H new ATOM 1061 N GLU A3303 -7.206 -2.024 -7.986 1.00 0.00 N ATOM 1062 CA GLU A3303 -8.033 -3.191 -7.697 1.00 0.00 C ATOM 1063 C GLU A3303 -9.200 -2.785 -6.780 1.00 0.00 C ATOM 1064 O GLU A3303 -10.311 -3.279 -6.935 1.00 0.00 O ATOM 1065 CB GLU A3303 -7.138 -4.356 -7.205 1.00 0.00 C ATOM 1066 CG GLU A3303 -7.154 -4.647 -5.696 1.00 0.00 C ATOM 1067 CD GLU A3303 -5.950 -5.448 -5.172 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -4.865 -5.509 -5.793 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -6.073 -6.009 -4.054 1.00 0.00 O ATOM 0 H GLU A3303 -6.322 -2.013 -7.477 1.00 0.00 H new ATOM 0 HA GLU A3303 -8.516 -3.581 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -7.440 -5.262 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -6.110 -4.144 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -7.201 -3.699 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -8.066 -5.194 -5.457 1.00 0.00 H new ATOM 1076 N LEU A3304 -8.995 -1.840 -5.860 1.00 0.00 N ATOM 1077 CA LEU A3304 -9.964 -1.339 -4.894 1.00 0.00 C ATOM 1078 C LEU A3304 -10.963 -0.311 -5.410 1.00 0.00 C ATOM 1079 O LEU A3304 -12.095 -0.285 -4.946 1.00 0.00 O ATOM 1080 CB LEU A3304 -9.192 -0.689 -3.744 1.00 0.00 C ATOM 1081 CG LEU A3304 -8.210 -1.632 -3.037 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -7.423 -0.840 -2.005 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -8.932 -2.807 -2.392 1.00 0.00 C ATOM 0 H LEU A3304 -8.090 -1.378 -5.767 1.00 0.00 H new ATOM 0 HA LEU A3304 -10.555 -2.208 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -8.641 0.169 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -9.904 -0.308 -3.012 1.00 0.00 H new ATOM 0 HG LEU A3304 -7.524 -2.050 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -6.722 -1.501 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -6.873 -0.041 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -8.109 -0.409 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -8.206 -3.455 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -9.645 -2.436 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -9.463 -3.373 -3.158 1.00 0.00 H new ATOM 1095 N GLU A3305 -10.569 0.566 -6.327 1.00 0.00 N ATOM 1096 CA GLU A3305 -11.435 1.611 -6.878 1.00 0.00 C ATOM 1097 C GLU A3305 -12.705 1.059 -7.529 1.00 0.00 C ATOM 1098 O GLU A3305 -13.686 1.793 -7.655 1.00 0.00 O ATOM 1099 CB GLU A3305 -10.653 2.495 -7.861 1.00 0.00 C ATOM 1100 CG GLU A3305 -9.940 1.654 -8.921 1.00 0.00 C ATOM 1101 CD GLU A3305 -9.136 2.483 -9.922 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -9.369 2.361 -11.148 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -8.203 3.200 -9.502 1.00 0.00 O ATOM 0 H GLU A3305 -9.626 0.574 -6.716 1.00 0.00 H new ATOM 0 HA GLU A3305 -11.765 2.220 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -11.335 3.193 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -9.922 3.091 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -9.271 0.950 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -10.680 1.064 -9.462 1.00 0.00 H new ATOM 1110 N ASN A3306 -12.726 -0.218 -7.915 1.00 0.00 N ATOM 1111 CA ASN A3306 -13.895 -0.825 -8.539 1.00 0.00 C ATOM 1112 C ASN A3306 -14.659 -1.734 -7.571 1.00 0.00 C ATOM 1113 O ASN A3306 -15.665 -2.326 -7.975 1.00 0.00 O ATOM 1114 CB ASN A3306 -13.533 -1.493 -9.871 1.00 0.00 C ATOM 1115 CG ASN A3306 -12.968 -2.887 -9.719 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -13.693 -3.873 -9.783 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -11.662 -2.992 -9.573 1.00 0.00 N ATOM 0 H ASN A3306 -11.937 -0.854 -7.803 1.00 0.00 H new ATOM 0 HA ASN A3306 -14.596 -0.029 -8.788 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -14.423 -1.538 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -12.806 -0.871 -10.393 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -11.228 -3.913 -9.510 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -11.085 -2.152 -9.523 1.00 0.00 H new ATOM 1124 N LEU A3307 -14.194 -1.873 -6.320 1.00 0.00 N ATOM 1125 CA LEU A3307 -14.888 -2.701 -5.336 1.00 0.00 C ATOM 1126 C LEU A3307 -16.005 -1.895 -4.653 1.00 0.00 C ATOM 1127 O LEU A3307 -15.957 -0.665 -4.628 1.00 0.00 O ATOM 1128 CB LEU A3307 -13.882 -3.198 -4.282 1.00 0.00 C ATOM 1129 CG LEU A3307 -13.435 -4.670 -4.297 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -14.262 -5.612 -5.163 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -11.985 -4.835 -4.707 1.00 0.00 C ATOM 0 H LEU A3307 -13.346 -1.424 -5.973 1.00 0.00 H new ATOM 0 HA LEU A3307 -15.335 -3.556 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -12.986 -2.584 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -14.311 -2.997 -3.300 1.00 0.00 H new ATOM 0 HG LEU A3307 -13.590 -4.958 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -13.854 -6.621 -5.095 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -15.295 -5.614 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -14.229 -5.276 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -11.723 -5.893 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -11.842 -4.432 -5.710 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -11.345 -4.299 -4.006 1.00 0.00 H new ATOM 1143 N SER A3308 -17.002 -2.583 -4.094 1.00 0.00 N ATOM 1144 CA SER A3308 -18.147 -2.006 -3.384 1.00 0.00 C ATOM 1145 C SER A3308 -17.823 -1.768 -1.905 1.00 0.00 C ATOM 1146 O SER A3308 -16.777 -2.204 -1.431 1.00 0.00 O ATOM 1147 CB SER A3308 -19.356 -2.930 -3.570 1.00 0.00 C ATOM 1148 OG SER A3308 -19.745 -2.927 -4.931 1.00 0.00 O ATOM 0 H SER A3308 -17.036 -3.602 -4.125 1.00 0.00 H new ATOM 0 HA SER A3308 -18.384 -1.028 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A3308 -19.106 -3.943 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A3308 -20.183 -2.596 -2.943 1.00 0.00 H new ATOM 0 HG SER A3308 -20.517 -3.519 -5.052 1.00 0.00 H new ATOM 1154 N GLU A3309 -18.685 -1.066 -1.151 1.00 0.00 N ATOM 1155 CA GLU A3309 -18.421 -0.801 0.261 1.00 0.00 C ATOM 1156 C GLU A3309 -18.302 -2.121 0.973 1.00 0.00 C ATOM 1157 O GLU A3309 -17.284 -2.354 1.583 1.00 0.00 O ATOM 1158 CB GLU A3309 -19.529 0.007 0.964 1.00 0.00 C ATOM 1159 CG GLU A3309 -19.280 1.513 0.930 1.00 0.00 C ATOM 1160 CD GLU A3309 -19.887 2.239 2.135 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -19.307 2.204 3.241 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -20.934 2.906 1.974 1.00 0.00 O ATOM 0 H GLU A3309 -19.562 -0.677 -1.498 1.00 0.00 H new ATOM 0 HA GLU A3309 -17.508 -0.207 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -20.486 -0.209 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -19.607 -0.320 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -18.206 1.699 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -19.700 1.926 0.013 1.00 0.00 H new ATOM 1169 N GLU A3310 -19.222 -3.044 0.774 1.00 0.00 N ATOM 1170 CA GLU A3310 -19.228 -4.330 1.438 1.00 0.00 C ATOM 1171 C GLU A3310 -17.901 -5.068 1.298 1.00 0.00 C ATOM 1172 O GLU A3310 -17.651 -5.970 2.095 1.00 0.00 O ATOM 1173 CB GLU A3310 -20.392 -5.178 0.899 1.00 0.00 C ATOM 1174 CG GLU A3310 -21.732 -4.472 1.141 1.00 0.00 C ATOM 1175 CD GLU A3310 -22.920 -5.340 0.737 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -23.814 -5.574 1.588 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -22.981 -5.717 -0.453 1.00 0.00 O ATOM 0 H GLU A3310 -20.004 -2.917 0.131 1.00 0.00 H new ATOM 0 HA GLU A3310 -19.367 -4.156 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -20.256 -5.356 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -20.395 -6.153 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -21.818 -4.209 2.195 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -21.757 -3.539 0.577 1.00 0.00 H new ATOM 1184 N GLU A3311 -17.162 -4.834 0.213 1.00 0.00 N ATOM 1185 CA GLU A3311 -15.870 -5.436 -0.016 1.00 0.00 C ATOM 1186 C GLU A3311 -14.779 -4.692 0.759 1.00 0.00 C ATOM 1187 O GLU A3311 -13.982 -5.283 1.469 1.00 0.00 O ATOM 1188 CB GLU A3311 -15.575 -5.349 -1.517 1.00 0.00 C ATOM 1189 CG GLU A3311 -16.586 -6.055 -2.427 1.00 0.00 C ATOM 1190 CD GLU A3311 -16.112 -7.435 -2.878 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -15.556 -8.181 -2.041 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -16.295 -7.760 -4.073 1.00 0.00 O ATOM 0 H GLU A3311 -17.459 -4.209 -0.537 1.00 0.00 H new ATOM 0 HA GLU A3311 -15.881 -6.472 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -15.529 -4.298 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -14.588 -5.773 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -17.534 -6.156 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -16.773 -5.435 -3.304 1.00 0.00 H new ATOM 1199 N LEU A3312 -14.726 -3.362 0.587 1.00 0.00 N ATOM 1200 CA LEU A3312 -13.738 -2.456 1.179 1.00 0.00 C ATOM 1201 C LEU A3312 -13.952 -2.155 2.654 1.00 0.00 C ATOM 1202 O LEU A3312 -13.043 -2.298 3.467 1.00 0.00 O ATOM 1203 CB LEU A3312 -13.723 -1.110 0.437 1.00 0.00 C ATOM 1204 CG LEU A3312 -13.706 -1.219 -1.093 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -14.390 0.000 -1.692 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -12.292 -1.477 -1.612 1.00 0.00 C ATOM 0 H LEU A3312 -15.403 -2.870 0.004 1.00 0.00 H new ATOM 0 HA LEU A3312 -12.793 -2.990 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -14.600 -0.536 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -12.848 -0.545 0.757 1.00 0.00 H new ATOM 0 HG LEU A3312 -14.279 -2.087 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -14.379 -0.075 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -15.421 0.048 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -13.860 0.902 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -12.311 -1.550 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -11.640 -0.656 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -11.915 -2.410 -1.193 1.00 0.00 H new ATOM 1218 N LEU A3313 -15.165 -1.709 2.970 1.00 0.00 N ATOM 1219 CA LEU A3313 -15.682 -1.358 4.275 1.00 0.00 C ATOM 1220 C LEU A3313 -15.432 -2.572 5.148 1.00 0.00 C ATOM 1221 O LEU A3313 -14.935 -2.413 6.256 1.00 0.00 O ATOM 1222 CB LEU A3313 -17.170 -0.924 4.180 1.00 0.00 C ATOM 1223 CG LEU A3313 -17.930 -0.639 5.497 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -18.272 -1.903 6.303 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -17.252 0.357 6.440 1.00 0.00 C ATOM 0 H LEU A3313 -15.871 -1.574 2.246 1.00 0.00 H new ATOM 0 HA LEU A3313 -15.188 -0.492 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -17.217 -0.024 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -17.711 -1.704 3.644 1.00 0.00 H new ATOM 0 HG LEU A3313 -18.847 -0.182 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -18.804 -1.622 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -18.902 -2.558 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -17.353 -2.426 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -17.864 0.487 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -16.271 -0.022 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -17.138 1.316 5.935 1.00 0.00 H new ATOM 1237 N ALA A3314 -15.665 -3.784 4.640 1.00 0.00 N ATOM 1238 CA ALA A3314 -15.443 -4.968 5.445 1.00 0.00 C ATOM 1239 C ALA A3314 -13.965 -5.167 5.830 1.00 0.00 C ATOM 1240 O ALA A3314 -13.675 -5.730 6.880 1.00 0.00 O ATOM 1241 CB ALA A3314 -15.936 -6.174 4.651 1.00 0.00 C ATOM 0 H ALA A3314 -16.001 -3.962 3.693 1.00 0.00 H new ATOM 0 HA ALA A3314 -15.990 -4.852 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -15.781 -7.082 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -16.998 -6.058 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -15.382 -6.245 3.715 1.00 0.00 H new ATOM 1247 N MET A3315 -13.011 -4.695 5.026 1.00 0.00 N ATOM 1248 CA MET A3315 -11.572 -4.876 5.282 1.00 0.00 C ATOM 1249 C MET A3315 -11.071 -3.885 6.323 1.00 0.00 C ATOM 1250 O MET A3315 -10.464 -4.229 7.338 1.00 0.00 O ATOM 1251 CB MET A3315 -10.780 -4.686 3.978 1.00 0.00 C ATOM 1252 CG MET A3315 -11.357 -5.475 2.802 1.00 0.00 C ATOM 1253 SD MET A3315 -10.355 -6.857 2.181 1.00 0.00 S ATOM 1254 CE MET A3315 -11.566 -7.567 1.028 1.00 0.00 C ATOM 0 H MET A3315 -13.211 -4.173 4.173 1.00 0.00 H new ATOM 0 HA MET A3315 -11.423 -5.886 5.663 1.00 0.00 H new ATOM 0 HB2 MET A3315 -10.762 -3.627 3.722 1.00 0.00 H new ATOM 0 HB3 MET A3315 -9.747 -4.992 4.140 1.00 0.00 H new ATOM 0 HG2 MET A3315 -12.330 -5.866 3.099 1.00 0.00 H new ATOM 0 HG3 MET A3315 -11.529 -4.782 1.979 1.00 0.00 H new ATOM 0 HE1 MET A3315 -11.134 -8.440 0.539 1.00 0.00 H new ATOM 0 HE2 MET A3315 -12.460 -7.864 1.576 1.00 0.00 H new ATOM 0 HE3 MET A3315 -11.832 -6.824 0.276 1.00 0.00 H new ATOM 1264 N LEU A3316 -11.304 -2.605 6.046 1.00 0.00 N ATOM 1265 CA LEU A3316 -10.919 -1.507 6.918 1.00 0.00 C ATOM 1266 C LEU A3316 -11.647 -1.599 8.254 1.00 0.00 C ATOM 1267 O LEU A3316 -11.048 -1.277 9.277 1.00 0.00 O ATOM 1268 CB LEU A3316 -11.179 -0.156 6.232 1.00 0.00 C ATOM 1269 CG LEU A3316 -12.632 0.067 5.767 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -13.469 0.839 6.798 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -12.688 0.888 4.485 1.00 0.00 C ATOM 0 H LEU A3316 -11.774 -2.300 5.194 1.00 0.00 H new ATOM 0 HA LEU A3316 -9.850 -1.581 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.907 0.643 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -10.519 -0.071 5.368 1.00 0.00 H new ATOM 0 HG LEU A3316 -13.035 -0.935 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -14.483 0.968 6.420 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -13.499 0.281 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -13.020 1.817 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -13.727 1.026 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -12.227 1.861 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -12.149 0.365 3.694 1.00 0.00 H new ATOM 1283 N ASN A3317 -12.912 -2.030 8.259 1.00 0.00 N ATOM 1284 CA ASN A3317 -13.682 -2.136 9.493 1.00 0.00 C ATOM 1285 C ASN A3317 -13.318 -3.411 10.244 1.00 0.00 C ATOM 1286 O ASN A3317 -13.394 -3.448 11.473 1.00 0.00 O ATOM 1287 CB ASN A3317 -15.175 -2.149 9.158 1.00 0.00 C ATOM 1288 CG ASN A3317 -16.017 -1.737 10.339 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -16.437 -2.542 11.161 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -16.240 -0.444 10.452 1.00 0.00 N ATOM 0 H ASN A3317 -13.421 -2.310 7.420 1.00 0.00 H new ATOM 0 HA ASN A3317 -13.451 -1.280 10.127 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -15.366 -1.475 8.323 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -15.466 -3.148 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.777 -0.086 11.242 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.876 0.200 9.750 1.00 0.00 H new ATOM 1297 N GLY A3318 -12.862 -4.421 9.502 1.00 0.00 N ATOM 1298 CA GLY A3318 -12.457 -5.710 10.025 1.00 0.00 C ATOM 1299 C GLY A3318 -13.630 -6.641 10.283 1.00 0.00 C ATOM 1300 O GLY A3318 -13.650 -7.314 11.314 1.00 0.00 O ATOM 0 H GLY A3318 -12.764 -4.354 8.489 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -11.773 -6.183 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -11.906 -5.562 10.954 1.00 0.00 H new ATOM 1304 N ASP A3319 -14.567 -6.695 9.341 1.00 0.00 N ATOM 1305 CA ASP A3319 -15.790 -7.490 9.292 1.00 0.00 C ATOM 1306 C ASP A3319 -16.468 -7.636 10.657 1.00 0.00 C ATOM 1307 O ASP A3319 -16.492 -8.714 11.256 1.00 0.00 O ATOM 1308 CB ASP A3319 -15.539 -8.831 8.601 1.00 0.00 C ATOM 1309 CG ASP A3319 -16.856 -9.579 8.414 1.00 0.00 C ATOM 1310 OD1 ASP A3319 -17.739 -9.025 7.727 1.00 0.00 O ATOM 1311 OD2 ASP A3319 -16.964 -10.709 8.943 1.00 0.00 O ATOM 0 H ASP A3319 -14.478 -6.121 8.503 1.00 0.00 H new ATOM 0 HA ASP A3319 -16.509 -6.941 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A3319 -15.064 -8.667 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A3319 -14.851 -9.432 9.196 1.00 0.00 H new ATOM 1316 N GLN A3320 -16.984 -6.524 11.180 1.00 0.00 N ATOM 1317 CA GLN A3320 -17.646 -6.452 12.467 1.00 0.00 C ATOM 1318 C GLN A3320 -18.746 -5.387 12.526 1.00 0.00 C ATOM 1319 O GLN A3320 -18.959 -4.738 13.556 1.00 0.00 O ATOM 1320 CB GLN A3320 -16.554 -6.273 13.517 1.00 0.00 C ATOM 1321 CG GLN A3320 -15.708 -5.000 13.379 1.00 0.00 C ATOM 1322 CD GLN A3320 -14.621 -4.951 14.449 1.00 0.00 C ATOM 1323 OE1 GLN A3320 -14.869 -5.237 15.618 1.00 0.00 O ATOM 1324 NE2 GLN A3320 -13.398 -4.596 14.094 1.00 0.00 N ATOM 0 H GLN A3320 -16.948 -5.625 10.699 1.00 0.00 H new ATOM 0 HA GLN A3320 -18.195 -7.373 12.662 1.00 0.00 H new ATOM 0 HB2 GLN A3320 -17.018 -6.275 14.503 1.00 0.00 H new ATOM 0 HB3 GLN A3320 -15.890 -7.136 13.476 1.00 0.00 H new ATOM 0 HG2 GLN A3320 -15.252 -4.967 12.390 1.00 0.00 H new ATOM 0 HG3 GLN A3320 -16.348 -4.122 13.464 1.00 0.00 H new ATOM 0 HE21 GLN A3320 -13.197 -4.360 13.122 1.00 0.00 H new ATOM 0 HE22 GLN A3320 -12.655 -4.559 14.792 1.00 0.00 H new ATOM 1333 N GLN A3321 -19.397 -5.135 11.397 1.00 0.00 N ATOM 1334 CA GLN A3321 -20.466 -4.194 11.225 1.00 0.00 C ATOM 1335 C GLN A3321 -21.764 -4.989 11.209 1.00 0.00 C ATOM 1336 O GLN A3321 -21.807 -6.023 10.505 1.00 0.00 O ATOM 1337 CB GLN A3321 -20.151 -3.485 9.906 1.00 0.00 C ATOM 1338 CG GLN A3321 -21.182 -2.445 9.523 1.00 0.00 C ATOM 1339 CD GLN A3321 -21.229 -1.217 10.438 1.00 0.00 C ATOM 1340 OE1 GLN A3321 -20.239 -0.968 11.283 1.00 0.00 O flip ATOM 1341 NE2 GLN A3321 -22.187 -0.451 10.388 1.00 0.00 N flip ATOM 0 H GLN A3321 -19.168 -5.620 10.530 1.00 0.00 H new ATOM 0 HA GLN A3321 -20.569 -3.447 12.012 1.00 0.00 H new ATOM 0 HB2 GLN A3321 -19.174 -3.007 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A3321 -20.081 -4.227 9.111 1.00 0.00 H new ATOM 0 HG2 GLN A3321 -20.982 -2.114 8.504 1.00 0.00 H new ATOM 0 HG3 GLN A3321 -22.166 -2.914 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A3321 -22.954 -0.635 9.741 1.00 0.00 H new ATOM 0 HE22 GLN A3321 -22.216 0.369 10.994 1.00 0.00 H new TER 1350 GLN A3321