USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 36 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.7!) USER MOD Set 1.3: B 51 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 8 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.64) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 62:sc= -2.23! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.332 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.795 USER MOD Single : A 38 SER OG : rot 84:sc= 0.394 USER MOD Single : A 41 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 150:sc= -0.0851 USER MOD Single : A 49 GLN : amide:sc= -0.928 K(o=-0.93,f=-4.4!) USER MOD Single : A 51 MET CE :methyl -114:sc= -0.139 (180deg=-2.96!) USER MOD Single : A 53 ASN : amide:sc= -2.56 K(o=-2.6,f=-4!) USER MOD Single : A 60 ASN : amide:sc= -7.08! C(o=-7.1!,f=-19!) USER MOD Single : A 62 THR OG1 : rot -67:sc=0.000535! USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 71 MET CE :methyl 164:sc= -1.11 (180deg=-1.23) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.555 (180deg=-1.95!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.113 (180deg=-0.843) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.9) USER MOD Single : B 61 GLN : amide:sc=-0.00892 K(o=-0.0089,f=-1.7!) USER MOD Single : B 63 LYS NZ :NH3+ -161:sc= -0.0213 (180deg=-0.431) USER MOD Single : B 65 MET CE :methyl 141:sc= -0.199 (180deg=-1.4!) USER MOD Single : B 67 SER OG : rot -64:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.932 -16.500 -12.825 1.00 0.00 N ATOM 2 CA ALA A 1 -9.842 -17.225 -11.526 1.00 0.00 C ATOM 3 C ALA A 1 -8.388 -17.589 -11.290 1.00 0.00 C ATOM 4 O ALA A 1 -8.011 -18.762 -11.289 1.00 0.00 O ATOM 5 CB ALA A 1 -10.705 -18.484 -11.580 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.922 -16.239 -13.009 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.349 -15.640 -12.783 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.588 -17.115 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.203 -16.598 -10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.638 -19.012 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.742 -18.206 -11.768 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.352 -19.133 -12.381 1.00 0.00 H new ATOM 13 N ASP A 2 -7.575 -16.560 -11.120 1.00 0.00 N ATOM 14 CA ASP A 2 -6.147 -16.740 -10.914 1.00 0.00 C ATOM 15 C ASP A 2 -5.860 -17.383 -9.559 1.00 0.00 C ATOM 16 O ASP A 2 -6.463 -17.024 -8.548 1.00 0.00 O ATOM 17 CB ASP A 2 -5.466 -15.377 -11.018 1.00 0.00 C ATOM 18 CG ASP A 2 -5.493 -14.903 -12.470 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.829 -15.704 -13.326 1.00 0.00 O ATOM 20 OD2 ASP A 2 -5.184 -13.747 -12.704 1.00 0.00 O ATOM 0 H ASP A 2 -7.881 -15.587 -11.121 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.754 -17.411 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.975 -14.655 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.437 -15.445 -10.666 1.00 0.00 H new ATOM 25 N GLN A 3 -4.924 -18.337 -9.555 1.00 0.00 N ATOM 26 CA GLN A 3 -4.541 -19.042 -8.329 1.00 0.00 C ATOM 27 C GLN A 3 -3.298 -18.401 -7.715 1.00 0.00 C ATOM 28 O GLN A 3 -2.424 -17.912 -8.430 1.00 0.00 O ATOM 29 CB GLN A 3 -4.260 -20.517 -8.646 1.00 0.00 C ATOM 30 CG GLN A 3 -5.574 -21.229 -8.984 1.00 0.00 C ATOM 31 CD GLN A 3 -5.296 -22.671 -9.401 1.00 0.00 C ATOM 32 OE1 GLN A 3 -4.604 -22.907 -10.394 1.00 0.00 O ATOM 33 NE2 GLN A 3 -5.798 -23.657 -8.700 1.00 0.00 N ATOM 0 H GLN A 3 -4.418 -18.639 -10.388 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.361 -18.975 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.567 -20.594 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.783 -20.998 -7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.238 -21.214 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.086 -20.702 -9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.370 -23.459 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.617 -24.622 -8.975 1.00 0.00 H new ATOM 42 N LEU A 4 -3.234 -18.393 -6.385 1.00 0.00 N ATOM 43 CA LEU A 4 -2.103 -17.791 -5.681 1.00 0.00 C ATOM 44 C LEU A 4 -0.782 -18.414 -6.142 1.00 0.00 C ATOM 45 O LEU A 4 -0.773 -19.355 -6.938 1.00 0.00 O ATOM 46 CB LEU A 4 -2.277 -17.983 -4.158 1.00 0.00 C ATOM 47 CG LEU A 4 -1.718 -16.761 -3.390 1.00 0.00 C ATOM 48 CD1 LEU A 4 -2.791 -15.675 -3.290 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.296 -17.183 -1.982 1.00 0.00 C ATOM 0 H LEU A 4 -3.947 -18.794 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.076 -16.726 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.332 -18.117 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.761 -18.888 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.854 -16.370 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.392 -14.818 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.089 -15.365 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.658 -16.068 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.903 -16.319 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.159 -17.581 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.525 -17.950 -2.048 1.00 0.00 H new ATOM 61 N THR A 5 0.331 -17.879 -5.633 1.00 0.00 N ATOM 62 CA THR A 5 1.653 -18.385 -5.987 1.00 0.00 C ATOM 63 C THR A 5 2.738 -17.696 -5.156 1.00 0.00 C ATOM 64 O THR A 5 2.469 -16.733 -4.437 1.00 0.00 O ATOM 65 CB THR A 5 1.921 -18.150 -7.474 1.00 0.00 C ATOM 66 OG1 THR A 5 3.229 -18.599 -7.793 1.00 0.00 O ATOM 67 CG2 THR A 5 1.796 -16.659 -7.799 1.00 0.00 C ATOM 0 H THR A 5 0.340 -17.098 -4.977 1.00 0.00 H new ATOM 0 HA THR A 5 1.678 -19.454 -5.777 1.00 0.00 H new ATOM 0 HB THR A 5 1.190 -18.704 -8.063 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.402 -18.451 -8.746 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.988 -16.501 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.790 -16.317 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.521 -16.096 -7.211 1.00 0.00 H new ATOM 75 N GLU A 6 3.966 -18.187 -5.266 1.00 0.00 N ATOM 76 CA GLU A 6 5.078 -17.602 -4.525 1.00 0.00 C ATOM 77 C GLU A 6 5.159 -16.103 -4.804 1.00 0.00 C ATOM 78 O GLU A 6 5.245 -15.292 -3.891 1.00 0.00 O ATOM 79 CB GLU A 6 6.386 -18.294 -4.933 1.00 0.00 C ATOM 80 CG GLU A 6 7.532 -17.840 -4.023 1.00 0.00 C ATOM 81 CD GLU A 6 8.823 -18.574 -4.387 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.744 -19.561 -5.102 1.00 0.00 O ATOM 83 OE2 GLU A 6 9.873 -18.140 -3.942 1.00 0.00 O ATOM 0 H GLU A 6 4.217 -18.981 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 6 4.918 -17.747 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.269 -19.376 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.622 -18.059 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.678 -16.764 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.277 -18.034 -2.981 1.00 0.00 H new ATOM 90 N GLU A 7 5.142 -15.740 -6.074 1.00 0.00 N ATOM 91 CA GLU A 7 5.211 -14.341 -6.450 1.00 0.00 C ATOM 92 C GLU A 7 4.268 -13.510 -5.576 1.00 0.00 C ATOM 93 O GLU A 7 4.693 -12.564 -4.919 1.00 0.00 O ATOM 94 CB GLU A 7 4.821 -14.210 -7.930 1.00 0.00 C ATOM 95 CG GLU A 7 4.685 -12.742 -8.317 1.00 0.00 C ATOM 96 CD GLU A 7 4.453 -12.607 -9.823 1.00 0.00 C ATOM 97 OE1 GLU A 7 4.167 -13.612 -10.456 1.00 0.00 O ATOM 98 OE2 GLU A 7 4.556 -11.500 -10.322 1.00 0.00 O ATOM 0 H GLU A 7 5.081 -16.390 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 7 6.225 -13.969 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.575 -14.689 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.880 -14.729 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.855 -12.291 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.586 -12.199 -8.031 1.00 0.00 H new ATOM 105 N GLN A 8 2.985 -13.843 -5.616 1.00 0.00 N ATOM 106 CA GLN A 8 1.972 -13.095 -4.878 1.00 0.00 C ATOM 107 C GLN A 8 2.413 -12.770 -3.448 1.00 0.00 C ATOM 108 O GLN A 8 2.460 -11.606 -3.062 1.00 0.00 O ATOM 109 CB GLN A 8 0.685 -13.927 -4.835 1.00 0.00 C ATOM 110 CG GLN A 8 -0.543 -13.020 -4.691 1.00 0.00 C ATOM 111 CD GLN A 8 -0.787 -12.251 -5.983 1.00 0.00 C ATOM 112 OE1 GLN A 8 -0.716 -12.828 -7.070 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.077 -10.977 -5.929 1.00 0.00 N ATOM 0 H GLN A 8 2.619 -14.629 -6.153 1.00 0.00 H new ATOM 0 HA GLN A 8 1.812 -12.147 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.600 -14.521 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.726 -14.627 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.420 -13.620 -4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.393 -12.322 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.134 -10.505 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.246 -10.455 -6.789 1.00 0.00 H new ATOM 122 N ILE A 9 2.704 -13.791 -2.647 1.00 0.00 N ATOM 123 CA ILE A 9 3.096 -13.529 -1.271 1.00 0.00 C ATOM 124 C ILE A 9 4.336 -12.626 -1.222 1.00 0.00 C ATOM 125 O ILE A 9 4.357 -11.610 -0.524 1.00 0.00 O ATOM 126 CB ILE A 9 3.351 -14.854 -0.534 1.00 0.00 C ATOM 127 CG1 ILE A 9 4.221 -15.767 -1.394 1.00 0.00 C ATOM 128 CG2 ILE A 9 2.021 -15.558 -0.262 1.00 0.00 C ATOM 129 CD1 ILE A 9 4.479 -17.072 -0.661 1.00 0.00 C ATOM 0 H ILE A 9 2.677 -14.774 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 9 2.283 -13.005 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 9 3.858 -14.640 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.727 -15.965 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.166 -15.275 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.206 -16.497 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.390 -14.918 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.517 -15.762 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.100 -17.720 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.992 -16.866 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.530 -17.568 -0.456 1.00 0.00 H new ATOM 141 N ALA A 10 5.360 -12.984 -1.973 1.00 0.00 N ATOM 142 CA ALA A 10 6.573 -12.195 -1.998 1.00 0.00 C ATOM 143 C ALA A 10 6.243 -10.770 -2.424 1.00 0.00 C ATOM 144 O ALA A 10 6.868 -9.813 -1.976 1.00 0.00 O ATOM 145 CB ALA A 10 7.568 -12.822 -2.975 1.00 0.00 C ATOM 0 H ALA A 10 5.375 -13.811 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 10 7.019 -12.173 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.482 -12.228 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.802 -13.837 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.131 -12.848 -3.973 1.00 0.00 H new ATOM 151 N GLU A 11 5.248 -10.649 -3.296 1.00 0.00 N ATOM 152 CA GLU A 11 4.829 -9.345 -3.798 1.00 0.00 C ATOM 153 C GLU A 11 4.278 -8.475 -2.673 1.00 0.00 C ATOM 154 O GLU A 11 4.610 -7.296 -2.577 1.00 0.00 O ATOM 155 CB GLU A 11 3.750 -9.531 -4.878 1.00 0.00 C ATOM 156 CG GLU A 11 3.598 -8.258 -5.728 1.00 0.00 C ATOM 157 CD GLU A 11 2.743 -7.222 -4.990 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.207 -7.554 -3.946 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.636 -6.112 -5.484 1.00 0.00 O ATOM 0 H GLU A 11 4.717 -11.436 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 11 5.700 -8.846 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.013 -10.372 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.797 -9.775 -4.408 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.580 -7.839 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.137 -8.505 -6.684 1.00 0.00 H new ATOM 166 N PHE A 12 3.426 -9.053 -1.833 1.00 0.00 N ATOM 167 CA PHE A 12 2.839 -8.304 -0.739 1.00 0.00 C ATOM 168 C PHE A 12 3.935 -7.817 0.215 1.00 0.00 C ATOM 169 O PHE A 12 3.902 -6.680 0.684 1.00 0.00 O ATOM 170 CB PHE A 12 1.788 -9.194 -0.012 1.00 0.00 C ATOM 171 CG PHE A 12 2.223 -9.517 1.407 1.00 0.00 C ATOM 172 CD1 PHE A 12 2.226 -8.512 2.374 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.641 -10.810 1.742 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.642 -8.796 3.673 1.00 0.00 C ATOM 175 CE2 PHE A 12 3.062 -11.094 3.043 1.00 0.00 C ATOM 176 CZ PHE A 12 3.062 -10.089 4.009 1.00 0.00 C ATOM 0 H PHE A 12 3.132 -10.028 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 12 2.329 -7.421 -1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.826 -8.681 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.644 -10.119 -0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.906 -7.513 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.638 -11.589 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.641 -8.018 4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.387 -12.091 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.386 -10.307 5.016 1.00 0.00 H new ATOM 186 N LYS A 13 4.895 -8.692 0.502 1.00 0.00 N ATOM 187 CA LYS A 13 5.976 -8.345 1.409 1.00 0.00 C ATOM 188 C LYS A 13 6.763 -7.156 0.863 1.00 0.00 C ATOM 189 O LYS A 13 7.034 -6.195 1.585 1.00 0.00 O ATOM 190 CB LYS A 13 6.897 -9.553 1.585 1.00 0.00 C ATOM 191 CG LYS A 13 7.970 -9.253 2.642 1.00 0.00 C ATOM 192 CD LYS A 13 9.077 -8.323 2.065 1.00 0.00 C ATOM 193 CE LYS A 13 10.446 -8.750 2.565 1.00 0.00 C ATOM 194 NZ LYS A 13 11.406 -7.648 2.288 1.00 0.00 N ATOM 0 H LYS A 13 4.944 -9.637 0.122 1.00 0.00 H new ATOM 0 HA LYS A 13 5.559 -8.066 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.314 -10.423 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.371 -9.799 0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.509 -8.781 3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.417 -10.186 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.055 -8.355 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.882 -7.291 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.411 -8.964 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.764 -9.666 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.352 -7.920 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.440 -7.466 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.098 -6.787 2.782 1.00 0.00 H new ATOM 208 N GLU A 14 7.107 -7.218 -0.421 1.00 0.00 N ATOM 209 CA GLU A 14 7.848 -6.132 -1.054 1.00 0.00 C ATOM 210 C GLU A 14 7.103 -4.812 -0.883 1.00 0.00 C ATOM 211 O GLU A 14 7.646 -3.852 -0.340 1.00 0.00 O ATOM 212 CB GLU A 14 8.027 -6.428 -2.547 1.00 0.00 C ATOM 213 CG GLU A 14 9.031 -7.574 -2.735 1.00 0.00 C ATOM 214 CD GLU A 14 9.120 -7.969 -4.209 1.00 0.00 C ATOM 215 OE1 GLU A 14 8.449 -7.346 -5.014 1.00 0.00 O ATOM 216 OE2 GLU A 14 9.862 -8.892 -4.511 1.00 0.00 O ATOM 0 H GLU A 14 6.887 -8.000 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 14 8.825 -6.052 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.068 -6.696 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.379 -5.535 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.013 -7.268 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.726 -8.434 -2.139 1.00 0.00 H new ATOM 223 N ALA A 15 5.856 -4.774 -1.337 1.00 0.00 N ATOM 224 CA ALA A 15 5.045 -3.567 -1.223 1.00 0.00 C ATOM 225 C ALA A 15 4.977 -3.107 0.228 1.00 0.00 C ATOM 226 O ALA A 15 5.175 -1.928 0.529 1.00 0.00 O ATOM 227 CB ALA A 15 3.642 -3.840 -1.764 1.00 0.00 C ATOM 0 H ALA A 15 5.386 -5.560 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 15 5.504 -2.772 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.037 -2.937 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.707 -4.135 -2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.180 -4.642 -1.189 1.00 0.00 H new ATOM 233 N PHE A 16 4.720 -4.045 1.129 1.00 0.00 N ATOM 234 CA PHE A 16 4.655 -3.719 2.546 1.00 0.00 C ATOM 235 C PHE A 16 5.959 -3.068 3.020 1.00 0.00 C ATOM 236 O PHE A 16 5.941 -2.023 3.670 1.00 0.00 O ATOM 237 CB PHE A 16 4.365 -5.019 3.341 1.00 0.00 C ATOM 238 CG PHE A 16 5.132 -5.050 4.649 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.746 -4.241 5.722 1.00 0.00 C ATOM 240 CD2 PHE A 16 6.259 -5.877 4.764 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.486 -4.265 6.910 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.998 -5.895 5.945 1.00 0.00 C ATOM 243 CZ PHE A 16 6.613 -5.090 7.016 1.00 0.00 C ATOM 0 H PHE A 16 4.555 -5.027 0.908 1.00 0.00 H new ATOM 0 HA PHE A 16 3.855 -2.999 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.296 -5.094 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.637 -5.885 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.881 -3.600 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.555 -6.502 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.188 -3.648 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.867 -6.531 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.186 -5.102 7.931 1.00 0.00 H new ATOM 253 N SER A 17 7.074 -3.704 2.706 1.00 0.00 N ATOM 254 CA SER A 17 8.376 -3.202 3.120 1.00 0.00 C ATOM 255 C SER A 17 8.615 -1.794 2.591 1.00 0.00 C ATOM 256 O SER A 17 9.223 -0.962 3.265 1.00 0.00 O ATOM 257 CB SER A 17 9.486 -4.131 2.612 1.00 0.00 C ATOM 258 OG SER A 17 10.739 -3.468 2.718 1.00 0.00 O ATOM 0 H SER A 17 7.106 -4.569 2.166 1.00 0.00 H new ATOM 0 HA SER A 17 8.392 -3.173 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.499 -5.053 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.296 -4.411 1.576 1.00 0.00 H new ATOM 0 HG SER A 17 11.451 -4.060 2.396 1.00 0.00 H new ATOM 264 N LEU A 18 8.141 -1.531 1.379 1.00 0.00 N ATOM 265 CA LEU A 18 8.326 -0.212 0.772 1.00 0.00 C ATOM 266 C LEU A 18 7.595 0.869 1.559 1.00 0.00 C ATOM 267 O LEU A 18 8.130 1.958 1.776 1.00 0.00 O ATOM 268 CB LEU A 18 7.817 -0.215 -0.675 1.00 0.00 C ATOM 269 CG LEU A 18 8.751 -1.052 -1.566 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.134 -1.192 -2.961 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.144 -0.389 -1.675 1.00 0.00 C ATOM 0 H LEU A 18 7.632 -2.201 0.802 1.00 0.00 H new ATOM 0 HA LEU A 18 9.393 0.008 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.807 -0.622 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.763 0.807 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 18 8.873 -2.037 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.795 -1.785 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.166 -1.687 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.001 -0.204 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.788 -0.998 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.041 0.605 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.586 -0.306 -0.682 1.00 0.00 H new ATOM 283 N PHE A 19 6.370 0.573 1.968 1.00 0.00 N ATOM 284 CA PHE A 19 5.576 1.542 2.713 1.00 0.00 C ATOM 285 C PHE A 19 6.141 1.783 4.109 1.00 0.00 C ATOM 286 O PHE A 19 6.328 2.922 4.508 1.00 0.00 O ATOM 287 CB PHE A 19 4.139 1.054 2.829 1.00 0.00 C ATOM 288 CG PHE A 19 3.501 0.994 1.459 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.338 2.163 0.704 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.079 -0.234 0.939 1.00 0.00 C ATOM 291 CE1 PHE A 19 2.754 2.098 -0.564 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.499 -0.300 -0.322 1.00 0.00 C ATOM 293 CZ PHE A 19 2.335 0.866 -1.082 1.00 0.00 C ATOM 0 H PHE A 19 5.907 -0.320 1.800 1.00 0.00 H new ATOM 0 HA PHE A 19 5.609 2.484 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.117 0.068 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.570 1.723 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.663 3.113 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.205 -1.135 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.626 2.999 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.174 -1.251 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.887 0.815 -2.063 1.00 0.00 H new ATOM 303 N ASP A 20 6.399 0.716 4.854 1.00 0.00 N ATOM 304 CA ASP A 20 6.938 0.864 6.205 1.00 0.00 C ATOM 305 C ASP A 20 8.292 1.572 6.170 1.00 0.00 C ATOM 306 O ASP A 20 9.340 0.925 6.187 1.00 0.00 O ATOM 307 CB ASP A 20 7.098 -0.511 6.849 1.00 0.00 C ATOM 308 CG ASP A 20 7.309 -0.366 8.351 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.802 0.668 8.761 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.971 -1.291 9.068 1.00 0.00 O ATOM 0 H ASP A 20 6.248 -0.247 4.555 1.00 0.00 H new ATOM 0 HA ASP A 20 6.243 1.465 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.213 -1.117 6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.945 -1.033 6.404 1.00 0.00 H new ATOM 315 N LYS A 21 8.263 2.904 6.112 1.00 0.00 N ATOM 316 CA LYS A 21 9.507 3.674 6.064 1.00 0.00 C ATOM 317 C LYS A 21 10.276 3.530 7.373 1.00 0.00 C ATOM 318 O LYS A 21 11.457 3.177 7.372 1.00 0.00 O ATOM 319 CB LYS A 21 9.218 5.161 5.818 1.00 0.00 C ATOM 320 CG LYS A 21 8.220 5.346 4.669 1.00 0.00 C ATOM 321 CD LYS A 21 8.716 4.674 3.380 1.00 0.00 C ATOM 322 CE LYS A 21 10.099 5.219 2.999 1.00 0.00 C ATOM 323 NZ LYS A 21 10.336 5.001 1.545 1.00 0.00 N ATOM 0 H LYS A 21 7.410 3.463 6.097 1.00 0.00 H new ATOM 0 HA LYS A 21 10.107 3.282 5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.819 5.612 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.147 5.682 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.255 4.925 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.063 6.410 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.768 3.594 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.009 4.856 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.160 6.282 3.233 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.872 4.720 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.273 5.370 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.295 3.983 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.605 5.497 0.996 1.00 0.00 H new ATOM 337 N ASP A 22 9.616 3.822 8.487 1.00 0.00 N ATOM 338 CA ASP A 22 10.270 3.741 9.785 1.00 0.00 C ATOM 339 C ASP A 22 10.738 2.315 10.035 1.00 0.00 C ATOM 340 O ASP A 22 11.620 2.078 10.862 1.00 0.00 O ATOM 341 CB ASP A 22 9.283 4.159 10.876 1.00 0.00 C ATOM 342 CG ASP A 22 8.102 3.191 10.907 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.692 2.752 9.846 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.621 2.906 11.989 1.00 0.00 O ATOM 0 H ASP A 22 8.639 4.114 8.518 1.00 0.00 H new ATOM 0 HA ASP A 22 11.132 4.408 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.782 4.169 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.929 5.173 10.689 1.00 0.00 H new ATOM 349 N GLY A 23 10.164 1.373 9.292 1.00 0.00 N ATOM 350 CA GLY A 23 10.548 -0.026 9.415 1.00 0.00 C ATOM 351 C GLY A 23 10.192 -0.604 10.780 1.00 0.00 C ATOM 352 O GLY A 23 10.985 -1.335 11.373 1.00 0.00 O ATOM 0 H GLY A 23 9.435 1.554 8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.053 -0.606 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.621 -0.122 9.251 1.00 0.00 H new ATOM 356 N ASP A 24 8.996 -0.283 11.277 1.00 0.00 N ATOM 357 CA ASP A 24 8.556 -0.796 12.581 1.00 0.00 C ATOM 358 C ASP A 24 7.619 -1.995 12.416 1.00 0.00 C ATOM 359 O ASP A 24 7.119 -2.538 13.400 1.00 0.00 O ATOM 360 CB ASP A 24 7.866 0.311 13.380 1.00 0.00 C ATOM 361 CG ASP A 24 6.503 0.635 12.783 1.00 0.00 C ATOM 362 OD1 ASP A 24 6.214 0.139 11.709 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.769 1.379 13.410 1.00 0.00 O ATOM 0 H ASP A 24 8.322 0.321 10.807 1.00 0.00 H new ATOM 0 HA ASP A 24 9.438 -1.130 13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.749 -0.001 14.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.489 1.206 13.384 1.00 0.00 H new ATOM 368 N GLY A 25 7.388 -2.407 11.168 1.00 0.00 N ATOM 369 CA GLY A 25 6.515 -3.546 10.884 1.00 0.00 C ATOM 370 C GLY A 25 5.079 -3.091 10.659 1.00 0.00 C ATOM 371 O GLY A 25 4.157 -3.904 10.617 1.00 0.00 O ATOM 0 H GLY A 25 7.793 -1.970 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.876 -4.074 10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.551 -4.252 11.714 1.00 0.00 H new ATOM 375 N THR A 26 4.896 -1.783 10.516 1.00 0.00 N ATOM 376 CA THR A 26 3.570 -1.214 10.293 1.00 0.00 C ATOM 377 C THR A 26 3.662 -0.022 9.351 1.00 0.00 C ATOM 378 O THR A 26 4.718 0.594 9.219 1.00 0.00 O ATOM 379 CB THR A 26 2.967 -0.774 11.642 1.00 0.00 C ATOM 380 OG1 THR A 26 4.016 -0.360 12.508 1.00 0.00 O ATOM 381 CG2 THR A 26 2.182 -1.930 12.273 1.00 0.00 C ATOM 0 H THR A 26 5.649 -1.096 10.550 1.00 0.00 H new ATOM 0 HA THR A 26 2.928 -1.969 9.839 1.00 0.00 H new ATOM 0 HB THR A 26 2.281 0.058 11.480 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.476 0.413 12.118 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.761 -1.607 13.225 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.376 -2.231 11.603 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.850 -2.775 12.440 1.00 0.00 H new ATOM 389 N ILE A 27 2.539 0.314 8.716 1.00 0.00 N ATOM 390 CA ILE A 27 2.484 1.459 7.805 1.00 0.00 C ATOM 391 C ILE A 27 1.638 2.548 8.444 1.00 0.00 C ATOM 392 O ILE A 27 0.567 2.272 8.972 1.00 0.00 O ATOM 393 CB ILE A 27 1.890 1.048 6.463 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.788 -0.011 5.820 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.808 2.276 5.552 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.054 -0.656 4.636 1.00 0.00 C ATOM 0 H ILE A 27 1.657 -0.189 8.815 1.00 0.00 H new ATOM 0 HA ILE A 27 3.493 1.831 7.625 1.00 0.00 H new ATOM 0 HB ILE A 27 0.891 0.637 6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.718 0.444 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.054 -0.771 6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.384 1.988 4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.175 3.032 6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.807 2.684 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.694 -1.410 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.136 -1.125 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.810 0.109 3.899 1.00 0.00 H new ATOM 408 N THR A 28 2.121 3.787 8.394 1.00 0.00 N ATOM 409 CA THR A 28 1.400 4.919 8.992 1.00 0.00 C ATOM 410 C THR A 28 0.911 5.896 7.927 1.00 0.00 C ATOM 411 O THR A 28 1.342 5.851 6.774 1.00 0.00 O ATOM 412 CB THR A 28 2.330 5.643 9.970 1.00 0.00 C ATOM 413 OG1 THR A 28 2.702 4.750 11.013 1.00 0.00 O ATOM 414 CG2 THR A 28 1.621 6.860 10.570 1.00 0.00 C ATOM 0 H THR A 28 3.004 4.037 7.949 1.00 0.00 H new ATOM 0 HA THR A 28 0.526 4.534 9.517 1.00 0.00 H new ATOM 0 HB THR A 28 3.219 5.979 9.435 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.299 5.210 11.640 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.292 7.367 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.338 7.546 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.727 6.535 11.102 1.00 0.00 H new ATOM 422 N THR A 29 -0.009 6.769 8.329 1.00 0.00 N ATOM 423 CA THR A 29 -0.581 7.752 7.421 1.00 0.00 C ATOM 424 C THR A 29 0.517 8.612 6.808 1.00 0.00 C ATOM 425 O THR A 29 0.532 8.857 5.601 1.00 0.00 O ATOM 426 CB THR A 29 -1.557 8.658 8.188 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.828 9.487 9.085 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.564 7.808 8.978 1.00 0.00 C ATOM 0 H THR A 29 -0.373 6.813 9.281 1.00 0.00 H new ATOM 0 HA THR A 29 -1.109 7.224 6.627 1.00 0.00 H new ATOM 0 HB THR A 29 -2.101 9.277 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.384 9.693 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.249 8.463 9.517 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.129 7.179 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.030 7.178 9.689 1.00 0.00 H new ATOM 436 N LYS A 30 1.431 9.068 7.654 1.00 0.00 N ATOM 437 CA LYS A 30 2.537 9.904 7.208 1.00 0.00 C ATOM 438 C LYS A 30 3.510 9.101 6.347 1.00 0.00 C ATOM 439 O LYS A 30 3.959 9.571 5.301 1.00 0.00 O ATOM 440 CB LYS A 30 3.264 10.482 8.421 1.00 0.00 C ATOM 441 CG LYS A 30 2.327 11.438 9.165 1.00 0.00 C ATOM 442 CD LYS A 30 3.005 11.945 10.445 1.00 0.00 C ATOM 443 CE LYS A 30 4.207 12.829 10.091 1.00 0.00 C ATOM 444 NZ LYS A 30 4.536 13.705 11.246 1.00 0.00 N ATOM 0 H LYS A 30 1.428 8.872 8.655 1.00 0.00 H new ATOM 0 HA LYS A 30 2.138 10.718 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.584 9.679 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.163 11.010 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.068 12.280 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.396 10.928 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.291 12.511 11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.331 11.100 11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.066 12.208 9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.980 13.435 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.351 14.305 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.718 14.307 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.770 13.118 12.072 1.00 0.00 H new ATOM 458 N GLU A 31 3.821 7.880 6.787 1.00 0.00 N ATOM 459 CA GLU A 31 4.734 7.015 6.038 1.00 0.00 C ATOM 460 C GLU A 31 4.239 6.877 4.602 1.00 0.00 C ATOM 461 O GLU A 31 4.963 7.168 3.646 1.00 0.00 O ATOM 462 CB GLU A 31 4.805 5.633 6.709 1.00 0.00 C ATOM 463 CG GLU A 31 5.663 5.719 7.978 1.00 0.00 C ATOM 464 CD GLU A 31 5.585 4.411 8.762 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.092 3.444 8.214 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.010 4.402 9.906 1.00 0.00 O ATOM 0 H GLU A 31 3.459 7.471 7.648 1.00 0.00 H new ATOM 0 HA GLU A 31 5.731 7.455 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.802 5.287 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.231 4.904 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.699 5.929 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.320 6.545 8.601 1.00 0.00 H new ATOM 473 N LEU A 32 2.988 6.452 4.459 1.00 0.00 N ATOM 474 CA LEU A 32 2.393 6.299 3.138 1.00 0.00 C ATOM 475 C LEU A 32 2.354 7.635 2.409 1.00 0.00 C ATOM 476 O LEU A 32 2.718 7.720 1.237 1.00 0.00 O ATOM 477 CB LEU A 32 0.972 5.743 3.295 1.00 0.00 C ATOM 478 CG LEU A 32 0.177 5.799 1.979 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.818 4.866 0.960 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.261 5.348 2.236 1.00 0.00 C ATOM 0 H LEU A 32 2.372 6.209 5.235 1.00 0.00 H new ATOM 0 HA LEU A 32 2.997 5.610 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.024 4.711 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.444 6.311 4.061 1.00 0.00 H new ATOM 0 HG LEU A 32 0.180 6.819 1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.256 4.905 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.846 5.178 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.811 3.846 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.826 5.387 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.259 4.327 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.724 6.008 2.969 1.00 0.00 H new ATOM 492 N GLY A 33 1.907 8.674 3.104 1.00 0.00 N ATOM 493 CA GLY A 33 1.817 9.997 2.498 1.00 0.00 C ATOM 494 C GLY A 33 3.122 10.353 1.810 1.00 0.00 C ATOM 495 O GLY A 33 3.126 10.850 0.685 1.00 0.00 O ATOM 0 H GLY A 33 1.604 8.628 4.077 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.000 10.019 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.587 10.739 3.262 1.00 0.00 H new ATOM 499 N THR A 34 4.232 10.092 2.490 1.00 0.00 N ATOM 500 CA THR A 34 5.536 10.388 1.923 1.00 0.00 C ATOM 501 C THR A 34 5.718 9.619 0.624 1.00 0.00 C ATOM 502 O THR A 34 6.137 10.186 -0.386 1.00 0.00 O ATOM 503 CB THR A 34 6.636 10.008 2.921 1.00 0.00 C ATOM 504 OG1 THR A 34 6.332 10.569 4.189 1.00 0.00 O ATOM 505 CG2 THR A 34 7.989 10.536 2.433 1.00 0.00 C ATOM 0 H THR A 34 4.253 9.681 3.423 1.00 0.00 H new ATOM 0 HA THR A 34 5.604 11.456 1.714 1.00 0.00 H new ATOM 0 HB THR A 34 6.689 8.923 3.005 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.589 10.075 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.766 10.262 3.147 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.220 10.101 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.945 11.621 2.343 1.00 0.00 H new ATOM 513 N VAL A 35 5.393 8.325 0.641 1.00 0.00 N ATOM 514 CA VAL A 35 5.521 7.493 -0.547 1.00 0.00 C ATOM 515 C VAL A 35 4.608 7.999 -1.662 1.00 0.00 C ATOM 516 O VAL A 35 5.006 8.059 -2.823 1.00 0.00 O ATOM 517 CB VAL A 35 5.140 6.045 -0.205 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.307 5.159 -1.447 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.041 5.524 0.920 1.00 0.00 C ATOM 0 H VAL A 35 5.041 7.836 1.464 1.00 0.00 H new ATOM 0 HA VAL A 35 6.555 7.537 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 35 4.101 6.017 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.036 4.132 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.659 5.524 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.345 5.190 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.767 4.496 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.082 5.556 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.916 6.148 1.805 1.00 0.00 H new ATOM 529 N MET A 36 3.388 8.376 -1.299 1.00 0.00 N ATOM 530 CA MET A 36 2.435 8.884 -2.289 1.00 0.00 C ATOM 531 C MET A 36 2.892 10.225 -2.872 1.00 0.00 C ATOM 532 O MET A 36 2.750 10.465 -4.072 1.00 0.00 O ATOM 533 CB MET A 36 1.052 9.033 -1.655 1.00 0.00 C ATOM 534 CG MET A 36 0.552 7.658 -1.204 1.00 0.00 C ATOM 535 SD MET A 36 0.296 6.582 -2.641 1.00 0.00 S ATOM 536 CE MET A 36 -1.466 6.921 -2.867 1.00 0.00 C ATOM 0 H MET A 36 3.035 8.342 -0.343 1.00 0.00 H new ATOM 0 HA MET A 36 2.384 8.164 -3.106 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.101 9.712 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.356 9.469 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.275 7.205 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.381 7.766 -0.651 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.832 6.378 -3.738 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.015 6.599 -1.982 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.614 7.990 -3.017 1.00 0.00 H new ATOM 546 N ARG A 37 3.442 11.089 -2.022 1.00 0.00 N ATOM 547 CA ARG A 37 3.914 12.397 -2.478 1.00 0.00 C ATOM 548 C ARG A 37 5.219 12.261 -3.265 1.00 0.00 C ATOM 549 O ARG A 37 5.333 12.755 -4.388 1.00 0.00 O ATOM 550 CB ARG A 37 4.100 13.329 -1.286 1.00 0.00 C ATOM 551 CG ARG A 37 4.506 14.708 -1.801 1.00 0.00 C ATOM 552 CD ARG A 37 4.418 15.715 -0.670 1.00 0.00 C ATOM 553 NE ARG A 37 4.917 17.009 -1.121 1.00 0.00 N ATOM 554 CZ ARG A 37 4.868 18.091 -0.345 1.00 0.00 C ATOM 555 NH1 ARG A 37 4.361 18.018 0.861 1.00 0.00 N ATOM 556 NH2 ARG A 37 5.327 19.232 -0.791 1.00 0.00 N ATOM 0 H ARG A 37 3.572 10.912 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 37 3.164 12.824 -3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.176 13.397 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.864 12.936 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.521 14.676 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.854 15.008 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.385 15.810 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.000 15.368 0.184 1.00 0.00 H new ATOM 0 HE ARG A 37 5.315 17.088 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.001 17.130 1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.326 18.850 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.721 19.291 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.291 20.062 -0.200 1.00 0.00 H new ATOM 570 N SER A 38 6.203 11.592 -2.668 1.00 0.00 N ATOM 571 CA SER A 38 7.496 11.405 -3.316 1.00 0.00 C ATOM 572 C SER A 38 7.319 10.863 -4.729 1.00 0.00 C ATOM 573 O SER A 38 8.173 11.069 -5.593 1.00 0.00 O ATOM 574 CB SER A 38 8.355 10.434 -2.502 1.00 0.00 C ATOM 575 OG SER A 38 8.746 11.054 -1.284 1.00 0.00 O ATOM 0 H SER A 38 6.129 11.173 -1.741 1.00 0.00 H new ATOM 0 HA SER A 38 7.992 12.374 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.795 9.522 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.236 10.144 -3.074 1.00 0.00 H new ATOM 0 HG SER A 38 8.032 10.951 -0.621 1.00 0.00 H new ATOM 581 N LEU A 39 6.209 10.169 -4.959 1.00 0.00 N ATOM 582 CA LEU A 39 5.930 9.599 -6.276 1.00 0.00 C ATOM 583 C LEU A 39 5.198 10.603 -7.160 1.00 0.00 C ATOM 584 O LEU A 39 5.176 10.459 -8.382 1.00 0.00 O ATOM 585 CB LEU A 39 5.088 8.338 -6.114 1.00 0.00 C ATOM 586 CG LEU A 39 5.923 7.246 -5.418 1.00 0.00 C ATOM 587 CD1 LEU A 39 4.998 6.130 -4.915 1.00 0.00 C ATOM 588 CD2 LEU A 39 6.957 6.644 -6.394 1.00 0.00 C ATOM 0 H LEU A 39 5.491 9.988 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 39 6.876 9.350 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.196 8.557 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.750 7.986 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 39 6.450 7.700 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.592 5.359 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.281 6.544 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.463 5.693 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.536 5.875 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.439 6.202 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.627 7.429 -6.744 1.00 0.00 H new ATOM 600 N GLY A 40 4.611 11.628 -6.541 1.00 0.00 N ATOM 601 CA GLY A 40 3.890 12.665 -7.287 1.00 0.00 C ATOM 602 C GLY A 40 2.379 12.463 -7.233 1.00 0.00 C ATOM 603 O GLY A 40 1.641 13.073 -8.006 1.00 0.00 O ATOM 0 H GLY A 40 4.619 11.764 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.139 13.644 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.219 12.659 -8.326 1.00 0.00 H new ATOM 607 N GLN A 41 1.917 11.606 -6.322 1.00 0.00 N ATOM 608 CA GLN A 41 0.478 11.339 -6.194 1.00 0.00 C ATOM 609 C GLN A 41 -0.156 12.263 -5.148 1.00 0.00 C ATOM 610 O GLN A 41 0.537 13.043 -4.488 1.00 0.00 O ATOM 611 CB GLN A 41 0.254 9.861 -5.807 1.00 0.00 C ATOM 612 CG GLN A 41 -1.034 9.318 -6.448 1.00 0.00 C ATOM 613 CD GLN A 41 -0.875 9.223 -7.965 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.064 8.591 -8.451 1.00 0.00 O ATOM 615 NE2 GLN A 41 -1.739 9.823 -8.745 1.00 0.00 N ATOM 0 H GLN A 41 2.506 11.090 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 41 0.000 11.535 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.106 9.263 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.192 9.770 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.265 8.335 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.872 9.971 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.515 10.345 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.636 9.768 -9.758 1.00 0.00 H new ATOM 624 N ASN A 42 -1.482 12.176 -5.027 1.00 0.00 N ATOM 625 CA ASN A 42 -2.230 13.007 -4.091 1.00 0.00 C ATOM 626 C ASN A 42 -1.444 13.228 -2.785 1.00 0.00 C ATOM 627 O ASN A 42 -1.360 12.322 -1.955 1.00 0.00 O ATOM 628 CB ASN A 42 -3.565 12.345 -3.768 1.00 0.00 C ATOM 629 CG ASN A 42 -3.347 10.904 -3.332 1.00 0.00 C ATOM 630 OD1 ASN A 42 -3.064 10.647 -2.162 1.00 0.00 O ATOM 631 ND2 ASN A 42 -3.463 9.945 -4.211 1.00 0.00 N ATOM 0 H ASN A 42 -2.059 11.534 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.396 13.976 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.072 12.899 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.214 12.373 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.319 8.975 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.698 10.166 -5.179 1.00 0.00 H new ATOM 638 N PRO A 43 -0.859 14.393 -2.586 1.00 0.00 N ATOM 639 CA PRO A 43 -0.068 14.690 -1.355 1.00 0.00 C ATOM 640 C PRO A 43 -0.962 14.898 -0.134 1.00 0.00 C ATOM 641 O PRO A 43 -0.497 14.857 1.005 1.00 0.00 O ATOM 642 CB PRO A 43 0.709 15.971 -1.718 1.00 0.00 C ATOM 643 CG PRO A 43 -0.110 16.649 -2.776 1.00 0.00 C ATOM 644 CD PRO A 43 -0.899 15.553 -3.496 1.00 0.00 C ATOM 0 HA PRO A 43 0.588 13.865 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.835 16.614 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.707 15.734 -2.086 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.784 17.382 -2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.531 17.187 -3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.925 15.867 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.452 15.313 -4.461 1.00 0.00 H new ATOM 652 N THR A 44 -2.246 15.134 -0.386 1.00 0.00 N ATOM 653 CA THR A 44 -3.197 15.363 0.692 1.00 0.00 C ATOM 654 C THR A 44 -3.113 14.246 1.732 1.00 0.00 C ATOM 655 O THR A 44 -3.590 13.138 1.505 1.00 0.00 O ATOM 656 CB THR A 44 -4.619 15.442 0.122 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.952 14.204 -0.485 1.00 0.00 O ATOM 658 CG2 THR A 44 -4.695 16.560 -0.922 1.00 0.00 C ATOM 0 H THR A 44 -2.648 15.171 -1.322 1.00 0.00 H new ATOM 0 HA THR A 44 -2.950 16.306 1.179 1.00 0.00 H new ATOM 0 HB THR A 44 -5.321 15.654 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.918 14.055 -0.416 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.706 16.613 -1.325 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.440 17.511 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.993 16.352 -1.730 1.00 0.00 H new ATOM 666 N GLU A 45 -2.513 14.561 2.881 1.00 0.00 N ATOM 667 CA GLU A 45 -2.378 13.593 3.967 1.00 0.00 C ATOM 668 C GLU A 45 -3.723 13.356 4.636 1.00 0.00 C ATOM 669 O GLU A 45 -4.172 12.215 4.741 1.00 0.00 O ATOM 670 CB GLU A 45 -1.356 14.098 4.987 1.00 0.00 C ATOM 671 CG GLU A 45 -1.302 13.151 6.184 1.00 0.00 C ATOM 672 CD GLU A 45 -0.136 13.524 7.096 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.741 14.242 6.642 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.139 13.091 8.237 1.00 0.00 O ATOM 0 H GLU A 45 -2.114 15.478 3.082 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.029 12.646 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.372 14.169 4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.625 15.101 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.239 13.201 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.190 12.123 5.839 1.00 0.00 H new ATOM 681 N ALA A 46 -4.350 14.439 5.107 1.00 0.00 N ATOM 682 CA ALA A 46 -5.640 14.338 5.793 1.00 0.00 C ATOM 683 C ALA A 46 -6.503 13.275 5.103 1.00 0.00 C ATOM 684 O ALA A 46 -7.214 12.497 5.754 1.00 0.00 O ATOM 685 CB ALA A 46 -6.341 15.697 5.732 1.00 0.00 C ATOM 0 H ALA A 46 -3.987 15.389 5.026 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.488 14.052 6.834 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.303 15.633 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.721 16.448 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.498 15.979 4.691 1.00 0.00 H new ATOM 691 N GLU A 47 -6.390 13.222 3.781 1.00 0.00 N ATOM 692 CA GLU A 47 -7.116 12.234 2.996 1.00 0.00 C ATOM 693 C GLU A 47 -6.698 10.822 3.436 1.00 0.00 C ATOM 694 O GLU A 47 -7.537 9.989 3.779 1.00 0.00 O ATOM 695 CB GLU A 47 -6.800 12.446 1.507 1.00 0.00 C ATOM 696 CG GLU A 47 -7.637 11.499 0.648 1.00 0.00 C ATOM 697 CD GLU A 47 -7.363 11.747 -0.832 1.00 0.00 C ATOM 698 OE1 GLU A 47 -6.438 12.485 -1.132 1.00 0.00 O ATOM 699 OE2 GLU A 47 -8.084 11.196 -1.646 1.00 0.00 O ATOM 0 H GLU A 47 -5.804 13.851 3.232 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.189 12.346 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.006 13.479 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.740 12.272 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.402 10.465 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.696 11.646 0.859 1.00 0.00 H new ATOM 706 N LEU A 48 -5.390 10.568 3.437 1.00 0.00 N ATOM 707 CA LEU A 48 -4.873 9.261 3.852 1.00 0.00 C ATOM 708 C LEU A 48 -5.290 8.982 5.295 1.00 0.00 C ATOM 709 O LEU A 48 -5.870 7.937 5.596 1.00 0.00 O ATOM 710 CB LEU A 48 -3.338 9.261 3.731 1.00 0.00 C ATOM 711 CG LEU A 48 -2.912 8.942 2.290 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.694 9.818 1.302 1.00 0.00 C ATOM 713 CD2 LEU A 48 -1.421 9.230 2.139 1.00 0.00 C ATOM 0 H LEU A 48 -4.675 11.240 3.159 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.282 8.480 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.944 10.234 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.913 8.525 4.413 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.118 7.893 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.384 9.584 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.761 9.625 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.493 10.869 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.109 9.007 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.230 10.281 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.858 8.608 2.835 1.00 0.00 H new ATOM 725 N GLN A 49 -5.006 9.935 6.178 1.00 0.00 N ATOM 726 CA GLN A 49 -5.364 9.793 7.585 1.00 0.00 C ATOM 727 C GLN A 49 -6.799 9.315 7.721 1.00 0.00 C ATOM 728 O GLN A 49 -7.160 8.679 8.711 1.00 0.00 O ATOM 729 CB GLN A 49 -5.201 11.136 8.303 1.00 0.00 C ATOM 730 CG GLN A 49 -3.714 11.420 8.542 1.00 0.00 C ATOM 731 CD GLN A 49 -3.526 12.824 9.110 1.00 0.00 C ATOM 732 OE1 GLN A 49 -3.816 13.811 8.437 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.051 12.971 10.319 1.00 0.00 N ATOM 0 H GLN A 49 -4.532 10.808 5.946 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.701 9.056 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.642 11.934 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.734 11.118 9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.303 10.683 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.163 11.322 7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.811 12.151 10.876 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.920 13.906 10.705 1.00 0.00 H new ATOM 742 N ASP A 50 -7.608 9.619 6.715 1.00 0.00 N ATOM 743 CA ASP A 50 -9.007 9.207 6.722 1.00 0.00 C ATOM 744 C ASP A 50 -9.155 7.740 6.316 1.00 0.00 C ATOM 745 O ASP A 50 -9.958 7.009 6.894 1.00 0.00 O ATOM 746 CB ASP A 50 -9.804 10.089 5.763 1.00 0.00 C ATOM 747 CG ASP A 50 -11.301 10.021 6.084 1.00 0.00 C ATOM 748 OD1 ASP A 50 -11.639 9.709 7.216 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.088 10.284 5.190 1.00 0.00 O ATOM 0 H ASP A 50 -7.323 10.145 5.889 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.392 9.319 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.458 11.120 5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.632 9.767 4.736 1.00 0.00 H new ATOM 754 N MET A 51 -8.389 7.318 5.308 1.00 0.00 N ATOM 755 CA MET A 51 -8.464 5.938 4.832 1.00 0.00 C ATOM 756 C MET A 51 -8.080 4.962 5.937 1.00 0.00 C ATOM 757 O MET A 51 -8.790 3.990 6.191 1.00 0.00 O ATOM 758 CB MET A 51 -7.520 5.751 3.644 1.00 0.00 C ATOM 759 CG MET A 51 -8.001 6.615 2.482 1.00 0.00 C ATOM 760 SD MET A 51 -6.834 6.491 1.104 1.00 0.00 S ATOM 761 CE MET A 51 -7.504 7.834 0.081 1.00 0.00 C ATOM 0 H MET A 51 -7.718 7.904 4.812 1.00 0.00 H new ATOM 0 HA MET A 51 -9.491 5.736 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.504 6.029 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.493 4.703 3.347 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.992 6.292 2.162 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.092 7.653 2.802 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.915 7.420 -0.840 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.292 8.351 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.708 8.539 -0.161 1.00 0.00 H new ATOM 771 N ILE A 52 -6.959 5.231 6.603 1.00 0.00 N ATOM 772 CA ILE A 52 -6.510 4.364 7.685 1.00 0.00 C ATOM 773 C ILE A 52 -7.498 4.435 8.846 1.00 0.00 C ATOM 774 O ILE A 52 -7.866 3.414 9.426 1.00 0.00 O ATOM 775 CB ILE A 52 -5.105 4.770 8.147 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.171 4.823 6.910 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.570 3.738 9.170 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.707 4.631 7.327 1.00 0.00 C ATOM 0 H ILE A 52 -6.354 6.031 6.415 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.465 3.337 7.323 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.140 5.749 8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.456 4.048 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.287 5.780 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.572 4.031 9.495 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.236 3.702 10.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.525 2.754 8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.069 4.672 6.444 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.419 5.422 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.591 3.663 7.814 1.00 0.00 H new ATOM 790 N ASN A 53 -7.927 5.653 9.170 1.00 0.00 N ATOM 791 CA ASN A 53 -8.877 5.867 10.256 1.00 0.00 C ATOM 792 C ASN A 53 -10.232 5.236 9.928 1.00 0.00 C ATOM 793 O ASN A 53 -10.994 4.875 10.826 1.00 0.00 O ATOM 794 CB ASN A 53 -9.055 7.368 10.504 1.00 0.00 C ATOM 795 CG ASN A 53 -7.827 7.928 11.222 1.00 0.00 C ATOM 796 OD1 ASN A 53 -7.067 7.173 11.832 1.00 0.00 O ATOM 797 ND2 ASN A 53 -7.586 9.212 11.182 1.00 0.00 N ATOM 0 H ASN A 53 -7.631 6.506 8.695 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.482 5.393 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.201 7.887 9.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.948 7.543 11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.767 9.592 11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.217 9.834 10.676 1.00 0.00 H new ATOM 804 N GLU A 54 -10.537 5.125 8.636 1.00 0.00 N ATOM 805 CA GLU A 54 -11.811 4.549 8.211 1.00 0.00 C ATOM 806 C GLU A 54 -11.772 3.018 8.258 1.00 0.00 C ATOM 807 O GLU A 54 -12.687 2.386 8.788 1.00 0.00 O ATOM 808 CB GLU A 54 -12.140 5.009 6.784 1.00 0.00 C ATOM 809 CG GLU A 54 -13.532 4.512 6.368 1.00 0.00 C ATOM 810 CD GLU A 54 -14.605 5.174 7.224 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.336 6.235 7.764 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.682 4.611 7.323 1.00 0.00 O ATOM 0 H GLU A 54 -9.928 5.422 7.874 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.583 4.894 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.104 6.097 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.389 4.629 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.707 4.736 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.587 3.429 6.477 1.00 0.00 H new ATOM 819 N VAL A 55 -10.725 2.424 7.682 1.00 0.00 N ATOM 820 CA VAL A 55 -10.604 0.967 7.648 1.00 0.00 C ATOM 821 C VAL A 55 -10.296 0.388 9.031 1.00 0.00 C ATOM 822 O VAL A 55 -10.615 -0.769 9.304 1.00 0.00 O ATOM 823 CB VAL A 55 -9.510 0.552 6.649 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.870 1.082 5.259 1.00 0.00 C ATOM 825 CG2 VAL A 55 -8.154 1.131 7.089 1.00 0.00 C ATOM 0 H VAL A 55 -9.956 2.925 7.237 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.564 0.564 7.327 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.439 -0.535 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.098 0.791 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.827 0.664 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.942 2.169 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.383 0.834 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.217 2.219 7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.900 0.751 8.079 1.00 0.00 H new ATOM 835 N ASP A 56 -9.668 1.182 9.900 1.00 0.00 N ATOM 836 CA ASP A 56 -9.325 0.701 11.246 1.00 0.00 C ATOM 837 C ASP A 56 -10.491 0.916 12.218 1.00 0.00 C ATOM 838 O ASP A 56 -10.455 1.813 13.061 1.00 0.00 O ATOM 839 CB ASP A 56 -8.076 1.428 11.756 1.00 0.00 C ATOM 840 CG ASP A 56 -8.365 2.907 11.938 1.00 0.00 C ATOM 841 OD1 ASP A 56 -9.445 3.324 11.570 1.00 0.00 O ATOM 842 OD2 ASP A 56 -7.499 3.604 12.439 1.00 0.00 O ATOM 0 H ASP A 56 -9.389 2.144 9.705 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.122 -0.368 11.188 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.755 0.994 12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.256 1.295 11.051 1.00 0.00 H new ATOM 847 N ALA A 57 -11.527 0.089 12.083 1.00 0.00 N ATOM 848 CA ALA A 57 -12.709 0.196 12.939 1.00 0.00 C ATOM 849 C ALA A 57 -12.470 -0.428 14.319 1.00 0.00 C ATOM 850 O ALA A 57 -12.826 0.158 15.342 1.00 0.00 O ATOM 851 CB ALA A 57 -13.896 -0.492 12.258 1.00 0.00 C ATOM 0 H ALA A 57 -11.573 -0.660 11.392 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.924 1.254 13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.777 -0.413 12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.096 -0.010 11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -13.661 -1.544 12.093 1.00 0.00 H new ATOM 857 N ASP A 58 -11.880 -1.620 14.341 1.00 0.00 N ATOM 858 CA ASP A 58 -11.617 -2.315 15.604 1.00 0.00 C ATOM 859 C ASP A 58 -10.495 -1.635 16.383 1.00 0.00 C ATOM 860 O ASP A 58 -10.173 -2.042 17.498 1.00 0.00 O ATOM 861 CB ASP A 58 -11.225 -3.766 15.337 1.00 0.00 C ATOM 862 CG ASP A 58 -12.434 -4.559 14.837 1.00 0.00 C ATOM 863 OD1 ASP A 58 -13.541 -4.058 14.959 1.00 0.00 O ATOM 864 OD2 ASP A 58 -12.236 -5.656 14.342 1.00 0.00 O ATOM 0 H ASP A 58 -11.576 -2.124 13.508 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.531 -2.281 16.196 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.426 -3.804 14.597 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.837 -4.219 16.249 1.00 0.00 H new ATOM 869 N GLY A 59 -9.879 -0.619 15.783 1.00 0.00 N ATOM 870 CA GLY A 59 -8.773 0.072 16.440 1.00 0.00 C ATOM 871 C GLY A 59 -7.481 -0.705 16.228 1.00 0.00 C ATOM 872 O GLY A 59 -7.015 -1.425 17.113 1.00 0.00 O ATOM 0 H GLY A 59 -10.121 -0.261 14.859 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.672 1.080 16.038 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.977 0.173 17.506 1.00 0.00 H new ATOM 876 N ASN A 60 -6.906 -0.545 15.038 1.00 0.00 N ATOM 877 CA ASN A 60 -5.656 -1.218 14.687 1.00 0.00 C ATOM 878 C ASN A 60 -4.526 -0.216 14.478 1.00 0.00 C ATOM 879 O ASN A 60 -3.356 -0.581 14.576 1.00 0.00 O ATOM 880 CB ASN A 60 -5.872 -2.026 13.405 1.00 0.00 C ATOM 881 CG ASN A 60 -6.179 -1.095 12.230 1.00 0.00 C ATOM 882 OD1 ASN A 60 -5.675 0.025 12.168 1.00 0.00 O ATOM 883 ND2 ASN A 60 -6.985 -1.497 11.286 1.00 0.00 N ATOM 0 H ASN A 60 -7.286 0.046 14.299 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.371 -1.877 15.508 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.982 -2.616 13.186 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.694 -2.728 13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.196 -0.883 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.405 -2.425 11.335 1.00 0.00 H new ATOM 890 N GLY A 61 -4.892 1.041 14.173 1.00 0.00 N ATOM 891 CA GLY A 61 -3.910 2.099 13.922 1.00 0.00 C ATOM 892 C GLY A 61 -2.768 1.568 13.088 1.00 0.00 C ATOM 893 O GLY A 61 -1.908 0.896 13.629 1.00 0.00 O ATOM 0 H GLY A 61 -5.863 1.345 14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.388 2.933 13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.530 2.484 14.868 1.00 0.00 H new ATOM 897 N THR A 62 -2.774 1.889 11.784 1.00 0.00 N ATOM 898 CA THR A 62 -1.734 1.461 10.843 1.00 0.00 C ATOM 899 C THR A 62 -2.168 0.222 10.089 1.00 0.00 C ATOM 900 O THR A 62 -3.136 -0.435 10.468 1.00 0.00 O ATOM 901 CB THR A 62 -0.395 1.212 11.552 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.467 0.020 12.323 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.037 2.431 12.448 1.00 0.00 C ATOM 0 H THR A 62 -3.505 2.455 11.354 1.00 0.00 H new ATOM 0 HA THR A 62 -1.588 2.272 10.130 1.00 0.00 H new ATOM 0 HB THR A 62 0.391 1.090 10.806 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.094 0.148 13.065 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.914 2.248 12.948 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.044 3.325 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.818 2.575 13.195 1.00 0.00 H new ATOM 911 N ILE A 63 -1.445 -0.096 9.012 1.00 0.00 N ATOM 912 CA ILE A 63 -1.765 -1.277 8.198 1.00 0.00 C ATOM 913 C ILE A 63 -0.694 -2.345 8.385 1.00 0.00 C ATOM 914 O ILE A 63 0.485 -2.114 8.108 1.00 0.00 O ATOM 915 CB ILE A 63 -1.851 -0.897 6.715 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.624 0.422 6.566 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.557 -2.006 5.930 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.020 0.299 7.189 1.00 0.00 C ATOM 0 H ILE A 63 -0.642 0.440 8.684 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.729 -1.668 8.522 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.844 -0.771 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.074 1.230 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.712 0.682 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.614 -1.727 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.997 -2.936 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.564 -2.145 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.554 1.242 7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.574 -0.495 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.926 0.062 8.249 1.00 0.00 H new ATOM 930 N ASP A 64 -1.112 -3.505 8.884 1.00 0.00 N ATOM 931 CA ASP A 64 -0.189 -4.605 9.133 1.00 0.00 C ATOM 932 C ASP A 64 0.005 -5.458 7.879 1.00 0.00 C ATOM 933 O ASP A 64 -0.619 -5.221 6.845 1.00 0.00 O ATOM 934 CB ASP A 64 -0.727 -5.470 10.277 1.00 0.00 C ATOM 935 CG ASP A 64 -1.072 -4.593 11.476 1.00 0.00 C ATOM 936 OD1 ASP A 64 -0.195 -3.888 11.939 1.00 0.00 O ATOM 937 OD2 ASP A 64 -2.208 -4.644 11.917 1.00 0.00 O ATOM 0 H ASP A 64 -2.083 -3.706 9.123 1.00 0.00 H new ATOM 0 HA ASP A 64 0.780 -4.189 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.612 -6.014 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.017 -6.214 10.562 1.00 0.00 H new ATOM 942 N PHE A 65 0.878 -6.455 7.994 1.00 0.00 N ATOM 943 CA PHE A 65 1.180 -7.370 6.893 1.00 0.00 C ATOM 944 C PHE A 65 -0.086 -8.029 6.317 1.00 0.00 C ATOM 945 O PHE A 65 -0.290 -8.010 5.101 1.00 0.00 O ATOM 946 CB PHE A 65 2.170 -8.467 7.369 1.00 0.00 C ATOM 947 CG PHE A 65 2.921 -7.982 8.588 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.816 -6.918 8.459 1.00 0.00 C ATOM 949 CD2 PHE A 65 2.726 -8.591 9.837 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.523 -6.460 9.576 1.00 0.00 C ATOM 951 CE2 PHE A 65 3.433 -8.130 10.955 1.00 0.00 C ATOM 952 CZ PHE A 65 4.331 -7.064 10.824 1.00 0.00 C ATOM 0 H PHE A 65 1.396 -6.653 8.850 1.00 0.00 H new ATOM 0 HA PHE A 65 1.634 -6.779 6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.627 -9.382 7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.871 -8.709 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.962 -6.449 7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.033 -9.413 9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.218 -5.639 9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.285 -8.597 11.918 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.876 -6.708 11.686 1.00 0.00 H new ATOM 962 N PRO A 66 -0.911 -8.644 7.145 1.00 0.00 N ATOM 963 CA PRO A 66 -2.142 -9.353 6.670 1.00 0.00 C ATOM 964 C PRO A 66 -3.133 -8.441 5.948 1.00 0.00 C ATOM 965 O PRO A 66 -3.546 -8.722 4.820 1.00 0.00 O ATOM 966 CB PRO A 66 -2.762 -9.920 7.969 1.00 0.00 C ATOM 967 CG PRO A 66 -2.163 -9.124 9.084 1.00 0.00 C ATOM 968 CD PRO A 66 -0.778 -8.731 8.616 1.00 0.00 C ATOM 0 HA PRO A 66 -1.896 -10.114 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.848 -9.824 7.959 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.537 -10.981 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.766 -8.243 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.113 -9.712 10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.466 -7.779 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.033 -9.472 8.907 1.00 0.00 H new ATOM 976 N GLU A 67 -3.519 -7.362 6.608 1.00 0.00 N ATOM 977 CA GLU A 67 -4.479 -6.432 6.035 1.00 0.00 C ATOM 978 C GLU A 67 -4.065 -6.022 4.629 1.00 0.00 C ATOM 979 O GLU A 67 -4.866 -6.080 3.697 1.00 0.00 O ATOM 980 CB GLU A 67 -4.574 -5.191 6.920 1.00 0.00 C ATOM 981 CG GLU A 67 -5.145 -5.577 8.286 1.00 0.00 C ATOM 982 CD GLU A 67 -6.606 -5.995 8.137 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.202 -5.641 7.134 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.105 -6.663 9.028 1.00 0.00 O ATOM 0 H GLU A 67 -3.184 -7.108 7.538 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.449 -6.926 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.588 -4.742 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.210 -4.443 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.565 -6.394 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.066 -4.735 8.974 1.00 0.00 H new ATOM 991 N PHE A 68 -2.814 -5.608 4.485 1.00 0.00 N ATOM 992 CA PHE A 68 -2.311 -5.188 3.185 1.00 0.00 C ATOM 993 C PHE A 68 -2.395 -6.334 2.180 1.00 0.00 C ATOM 994 O PHE A 68 -2.893 -6.175 1.065 1.00 0.00 O ATOM 995 CB PHE A 68 -0.865 -4.728 3.319 1.00 0.00 C ATOM 996 CG PHE A 68 -0.371 -4.253 1.978 1.00 0.00 C ATOM 997 CD1 PHE A 68 0.120 -5.178 1.050 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.411 -2.890 1.657 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.574 -4.741 -0.200 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.043 -2.453 0.407 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.537 -3.379 -0.521 1.00 0.00 C ATOM 0 H PHE A 68 -2.135 -5.554 5.244 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.925 -4.363 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.793 -3.925 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.242 -5.546 3.680 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.149 -6.229 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.792 -2.177 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.953 -5.455 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.012 -1.403 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.889 -3.042 -1.485 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.920 -7.495 2.601 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.945 -8.677 1.759 1.00 0.00 C ATOM 1013 C LEU A 69 -3.368 -8.985 1.310 1.00 0.00 C ATOM 1014 O LEU A 69 -3.577 -9.618 0.277 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.346 -9.868 2.530 1.00 0.00 C ATOM 1016 CG LEU A 69 -1.637 -11.214 1.801 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.436 -12.163 1.945 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -2.885 -11.892 2.401 1.00 0.00 C ATOM 0 H LEU A 69 -1.512 -7.643 3.524 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.346 -8.494 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.269 -9.733 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.762 -9.899 3.537 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.813 -11.000 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.650 -13.101 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.447 -11.701 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.253 -12.361 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.075 -12.831 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.717 -12.091 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.747 -11.234 2.288 1.00 0.00 H new ATOM 1030 N THR A 70 -4.351 -8.549 2.094 1.00 0.00 N ATOM 1031 CA THR A 70 -5.749 -8.798 1.765 1.00 0.00 C ATOM 1032 C THR A 70 -6.321 -7.718 0.841 1.00 0.00 C ATOM 1033 O THR A 70 -6.615 -7.978 -0.325 1.00 0.00 O ATOM 1034 CB THR A 70 -6.556 -8.859 3.055 1.00 0.00 C ATOM 1035 OG1 THR A 70 -5.915 -9.749 3.962 1.00 0.00 O ATOM 1036 CG2 THR A 70 -7.967 -9.360 2.755 1.00 0.00 C ATOM 0 H THR A 70 -4.205 -8.025 2.957 1.00 0.00 H new ATOM 0 HA THR A 70 -5.812 -9.747 1.232 1.00 0.00 H new ATOM 0 HB THR A 70 -6.617 -7.865 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.105 -9.327 4.317 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.542 -9.403 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.454 -8.680 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.914 -10.356 2.315 1.00 0.00 H new ATOM 1044 N MET A 71 -6.497 -6.516 1.379 1.00 0.00 N ATOM 1045 CA MET A 71 -7.060 -5.416 0.603 1.00 0.00 C ATOM 1046 C MET A 71 -6.401 -5.301 -0.767 1.00 0.00 C ATOM 1047 O MET A 71 -6.957 -4.685 -1.675 1.00 0.00 O ATOM 1048 CB MET A 71 -6.936 -4.089 1.372 1.00 0.00 C ATOM 1049 CG MET A 71 -5.510 -3.532 1.268 1.00 0.00 C ATOM 1050 SD MET A 71 -5.389 -2.008 2.242 1.00 0.00 S ATOM 1051 CE MET A 71 -5.514 -2.752 3.886 1.00 0.00 C ATOM 0 H MET A 71 -6.260 -6.279 2.342 1.00 0.00 H new ATOM 0 HA MET A 71 -8.117 -5.632 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.645 -3.364 0.972 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.195 -4.244 2.419 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.793 -4.268 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.261 -3.332 0.226 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.181 -2.035 4.636 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.550 -3.029 4.082 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.886 -3.642 3.931 1.00 0.00 H new ATOM 1061 N MET A 72 -5.219 -5.897 -0.920 1.00 0.00 N ATOM 1062 CA MET A 72 -4.516 -5.850 -2.202 1.00 0.00 C ATOM 1063 C MET A 72 -4.967 -6.986 -3.131 1.00 0.00 C ATOM 1064 O MET A 72 -4.898 -6.866 -4.355 1.00 0.00 O ATOM 1065 CB MET A 72 -3.007 -5.910 -1.959 1.00 0.00 C ATOM 1066 CG MET A 72 -2.555 -7.356 -1.747 1.00 0.00 C ATOM 1067 SD MET A 72 -2.244 -8.141 -3.351 1.00 0.00 S ATOM 1068 CE MET A 72 -0.800 -7.163 -3.842 1.00 0.00 C ATOM 0 H MET A 72 -4.734 -6.411 -0.185 1.00 0.00 H new ATOM 0 HA MET A 72 -4.761 -4.912 -2.699 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.478 -5.479 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.749 -5.311 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.651 -7.379 -1.139 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.320 -7.910 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.204 -7.729 -4.558 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.131 -6.231 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.195 -6.940 -2.963 1.00 0.00 H new ATOM 1078 N ALA A 73 -5.414 -8.088 -2.535 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.866 -9.253 -3.298 1.00 0.00 C ATOM 1080 C ALA A 73 -7.325 -9.112 -3.726 1.00 0.00 C ATOM 1081 O ALA A 73 -7.967 -10.096 -4.093 1.00 0.00 O ATOM 1082 CB ALA A 73 -5.718 -10.509 -2.440 1.00 0.00 C ATOM 0 H ALA A 73 -5.474 -8.201 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.251 -9.327 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.054 -11.378 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.672 -10.639 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.322 -10.407 -1.539 1.00 0.00 H new ATOM 1088 N ARG A 74 -7.848 -7.892 -3.670 1.00 0.00 N ATOM 1089 CA ARG A 74 -9.239 -7.639 -4.049 1.00 0.00 C ATOM 1090 C ARG A 74 -9.309 -7.046 -5.452 1.00 0.00 C ATOM 1091 O ARG A 74 -10.385 -6.705 -5.942 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.878 -6.689 -3.035 1.00 0.00 C ATOM 1093 CG ARG A 74 -9.865 -7.350 -1.650 1.00 0.00 C ATOM 1094 CD ARG A 74 -10.462 -6.395 -0.619 1.00 0.00 C ATOM 1095 NE ARG A 74 -11.914 -6.365 -0.738 1.00 0.00 N ATOM 1096 CZ ARG A 74 -12.652 -5.524 -0.012 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -12.077 -4.710 0.838 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -13.954 -5.517 -0.142 1.00 0.00 N ATOM 0 H ARG A 74 -7.335 -7.064 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.787 -8.581 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.332 -5.746 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.901 -6.456 -3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.436 -8.278 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.844 -7.611 -1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.179 -6.710 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.058 -5.393 -0.764 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.375 -7.000 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.063 -4.718 0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.643 -4.068 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.404 -6.155 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.519 -4.874 0.413 1.00 0.00 H new ATOM 1112 N LYS A 75 -8.147 -6.932 -6.097 1.00 0.00 N ATOM 1113 CA LYS A 75 -8.068 -6.386 -7.460 1.00 0.00 C ATOM 1114 C LYS A 75 -7.331 -7.347 -8.383 1.00 0.00 C ATOM 1115 O LYS A 75 -6.239 -7.815 -8.066 1.00 0.00 O ATOM 1116 CB LYS A 75 -7.348 -5.035 -7.429 1.00 0.00 C ATOM 1117 CG LYS A 75 -8.211 -4.012 -6.660 1.00 0.00 C ATOM 1118 CD LYS A 75 -9.207 -3.323 -7.618 1.00 0.00 C ATOM 1119 CE LYS A 75 -8.544 -2.111 -8.277 1.00 0.00 C ATOM 1120 NZ LYS A 75 -9.372 -1.655 -9.423 1.00 0.00 N ATOM 0 H LYS A 75 -7.248 -7.209 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.080 -6.251 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.375 -5.140 -6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.166 -4.684 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.754 -4.513 -5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.570 -3.265 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.537 -4.028 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.095 -3.009 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.433 -1.305 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.543 -2.372 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.922 -0.831 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.456 -2.424 -10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.319 -1.390 -9.084 1.00 0.00 H new ATOM 1134 N MET A 76 -7.947 -7.638 -9.531 1.00 0.00 N ATOM 1135 CA MET A 76 -7.359 -8.552 -10.510 1.00 0.00 C ATOM 1136 C MET A 76 -6.701 -7.773 -11.641 1.00 0.00 C ATOM 1137 O MET A 76 -7.380 -7.163 -12.467 1.00 0.00 O ATOM 1138 CB MET A 76 -8.444 -9.470 -11.082 1.00 0.00 C ATOM 1139 CG MET A 76 -8.944 -10.426 -9.989 1.00 0.00 C ATOM 1140 SD MET A 76 -10.194 -11.539 -10.684 1.00 0.00 S ATOM 1141 CE MET A 76 -11.516 -10.318 -10.912 1.00 0.00 C ATOM 0 H MET A 76 -8.852 -7.254 -9.804 1.00 0.00 H new ATOM 0 HA MET A 76 -6.600 -9.153 -10.010 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.273 -8.874 -11.464 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.046 -10.039 -11.922 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.111 -11.003 -9.587 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.368 -9.858 -9.161 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.481 -10.824 -10.920 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.491 -9.597 -10.095 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.371 -9.798 -11.859 1.00 0.00 H new ATOM 1151 N LYS A 77 -5.370 -7.801 -11.663 1.00 0.00 N ATOM 1152 CA LYS A 77 -4.610 -7.096 -12.692 1.00 0.00 C ATOM 1153 C LYS A 77 -5.023 -5.624 -12.740 1.00 0.00 C ATOM 1154 O LYS A 77 -4.382 -4.826 -12.075 1.00 0.00 O ATOM 1155 CB LYS A 77 -4.850 -7.752 -14.058 1.00 0.00 C ATOM 1156 CG LYS A 77 -4.313 -9.191 -14.040 1.00 0.00 C ATOM 1157 CD LYS A 77 -4.536 -9.872 -15.403 1.00 0.00 C ATOM 1158 CE LYS A 77 -6.025 -10.193 -15.612 1.00 0.00 C ATOM 1159 NZ LYS A 77 -6.176 -11.143 -16.750 1.00 0.00 N ATOM 1160 OXT LYS A 77 -5.973 -5.316 -13.439 1.00 0.00 O ATOM 0 H LYS A 77 -4.798 -8.302 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.549 -7.154 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.915 -7.753 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.354 -7.178 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.250 -9.185 -13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.813 -9.761 -13.257 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.183 -9.221 -16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.950 -10.789 -15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.445 -10.627 -14.705 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.580 -9.277 -15.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.184 -11.359 -16.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.791 -10.713 -17.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.659 -12.021 -16.540 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -15.437 4.864 2.480 1.00 0.00 N ATOM 1176 CA GLY B 45 -14.318 4.430 1.598 1.00 0.00 C ATOM 1177 C GLY B 45 -14.873 3.981 0.250 1.00 0.00 C ATOM 1178 O GLY B 45 -15.804 3.177 0.191 1.00 0.00 O ATOM 0 HA2 GLY B 45 -13.613 5.250 1.458 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -13.768 3.614 2.066 1.00 0.00 H new ATOM 1184 N THR B 46 -14.291 4.494 -0.837 1.00 0.00 N ATOM 1185 CA THR B 46 -14.731 4.123 -2.185 1.00 0.00 C ATOM 1186 C THR B 46 -13.537 4.034 -3.129 1.00 0.00 C ATOM 1187 O THR B 46 -13.432 3.098 -3.920 1.00 0.00 O ATOM 1188 CB THR B 46 -15.743 5.141 -2.730 1.00 0.00 C ATOM 1189 OG1 THR B 46 -15.793 5.032 -4.146 1.00 0.00 O ATOM 1190 CG2 THR B 46 -15.331 6.565 -2.351 1.00 0.00 C ATOM 0 H THR B 46 -13.520 5.162 -0.812 1.00 0.00 H new ATOM 0 HA THR B 46 -15.213 3.148 -2.123 1.00 0.00 H new ATOM 0 HB THR B 46 -16.722 4.932 -2.298 1.00 0.00 H new ATOM 0 HG1 THR B 46 -16.438 5.678 -4.501 1.00 0.00 H new ATOM 0 HG21 THR B 46 -16.060 7.272 -2.746 1.00 0.00 H new ATOM 0 HG22 THR B 46 -15.289 6.655 -1.266 1.00 0.00 H new ATOM 0 HG23 THR B 46 -14.349 6.784 -2.771 1.00 0.00 H new ATOM 1198 N GLY B 47 -12.634 5.011 -3.039 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.439 5.034 -3.889 1.00 0.00 C ATOM 1200 C GLY B 47 -10.227 4.517 -3.116 1.00 0.00 C ATOM 1201 O GLY B 47 -9.086 4.652 -3.558 1.00 0.00 O ATOM 0 H GLY B 47 -12.705 5.794 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -11.603 4.420 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -11.251 6.050 -4.236 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.492 3.940 -1.947 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.435 3.417 -1.084 1.00 0.00 C ATOM 1207 C ALA B 48 -8.624 2.309 -1.771 1.00 0.00 C ATOM 1208 O ALA B 48 -7.392 2.309 -1.713 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.072 2.875 0.200 1.00 0.00 C ATOM 0 H ALA B 48 -11.434 3.822 -1.574 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.744 4.229 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.294 2.481 0.854 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.602 3.679 0.710 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.773 2.079 -0.050 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.315 1.368 -2.411 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.639 0.259 -3.091 1.00 0.00 C ATOM 1217 C ALA B 49 -7.776 0.772 -4.242 1.00 0.00 C ATOM 1218 O ALA B 49 -6.661 0.294 -4.458 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.679 -0.725 -3.627 1.00 0.00 C ATOM 0 H ALA B 49 -10.333 1.348 -2.475 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.992 -0.244 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.174 -1.549 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.271 -1.115 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.334 -0.214 -4.332 1.00 0.00 H new ATOM 1225 N LEU B 50 -8.301 1.748 -4.972 1.00 0.00 N ATOM 1226 CA LEU B 50 -7.579 2.326 -6.098 1.00 0.00 C ATOM 1227 C LEU B 50 -6.305 3.010 -5.613 1.00 0.00 C ATOM 1228 O LEU B 50 -5.252 2.913 -6.243 1.00 0.00 O ATOM 1229 CB LEU B 50 -8.476 3.342 -6.820 1.00 0.00 C ATOM 1230 CG LEU B 50 -7.719 4.004 -7.986 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -7.202 2.931 -8.962 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -8.669 4.954 -8.725 1.00 0.00 C ATOM 0 H LEU B 50 -9.221 2.155 -4.805 1.00 0.00 H new ATOM 0 HA LEU B 50 -7.306 1.530 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.369 2.843 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.809 4.105 -6.116 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.868 4.560 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -6.669 3.412 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -6.527 2.256 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -8.044 2.365 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.140 5.427 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.518 4.391 -9.112 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -9.025 5.721 -8.037 1.00 0.00 H new ATOM 1244 N SER B 51 -6.420 3.705 -4.487 1.00 0.00 N ATOM 1245 CA SER B 51 -5.285 4.410 -3.910 1.00 0.00 C ATOM 1246 C SER B 51 -4.170 3.432 -3.584 1.00 0.00 C ATOM 1247 O SER B 51 -2.998 3.678 -3.878 1.00 0.00 O ATOM 1248 CB SER B 51 -5.728 5.118 -2.630 1.00 0.00 C ATOM 1249 OG SER B 51 -4.620 5.787 -2.050 1.00 0.00 O ATOM 0 H SER B 51 -7.287 3.794 -3.957 1.00 0.00 H new ATOM 0 HA SER B 51 -4.917 5.141 -4.630 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.521 5.832 -2.853 1.00 0.00 H new ATOM 0 HB3 SER B 51 -6.139 4.395 -1.926 1.00 0.00 H new ATOM 0 HG SER B 51 -4.905 6.242 -1.230 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.547 2.316 -2.976 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.580 1.293 -2.612 1.00 0.00 C ATOM 1257 C TRP B 52 -2.926 0.703 -3.862 1.00 0.00 C ATOM 1258 O TRP B 52 -1.708 0.532 -3.913 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.285 0.187 -1.812 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.496 0.627 -0.391 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.703 0.766 0.210 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.499 0.987 0.614 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.509 1.177 1.516 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.169 1.328 1.816 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.092 1.045 0.600 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.472 1.715 2.964 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.385 1.433 1.749 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.066 1.766 2.929 1.00 0.00 C ATOM 0 H TRP B 52 -5.511 2.097 -2.726 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.800 1.744 -1.999 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.244 -0.050 -2.273 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.687 -0.724 -1.833 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.661 0.585 -0.256 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.265 1.348 2.179 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.553 0.789 -0.301 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -4.006 1.972 3.867 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.306 1.475 1.724 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.513 2.061 3.809 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.743 0.385 -4.864 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.232 -0.196 -6.105 1.00 0.00 C ATOM 1281 C GLN B 53 -2.329 0.791 -6.855 1.00 0.00 C ATOM 1282 O GLN B 53 -1.278 0.411 -7.377 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.405 -0.603 -7.006 1.00 0.00 C ATOM 1284 CG GLN B 53 -3.878 -1.382 -8.214 1.00 0.00 C ATOM 1285 CD GLN B 53 -5.030 -1.764 -9.139 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.894 -0.935 -9.430 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -5.093 -2.980 -9.621 1.00 0.00 N ATOM 0 H GLN B 53 -4.754 0.518 -4.843 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.638 -1.073 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.112 -1.215 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.945 0.283 -7.339 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.151 -0.777 -8.757 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -3.359 -2.280 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.376 -3.663 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -5.859 -3.244 -10.240 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.747 2.053 -6.916 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.970 3.073 -7.620 1.00 0.00 C ATOM 1298 C ALA B 54 -0.603 3.272 -6.969 1.00 0.00 C ATOM 1299 O ALA B 54 0.399 3.467 -7.659 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.734 4.400 -7.625 1.00 0.00 C ATOM 0 H ALA B 54 -3.610 2.393 -6.492 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.817 2.734 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -2.149 5.155 -8.151 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.691 4.267 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.906 4.725 -6.599 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.566 3.225 -5.641 1.00 0.00 N ATOM 1307 CA ALA B 55 0.686 3.404 -4.914 1.00 0.00 C ATOM 1308 C ALA B 55 1.674 2.291 -5.258 1.00 0.00 C ATOM 1309 O ALA B 55 2.872 2.536 -5.410 1.00 0.00 O ATOM 1310 CB ALA B 55 0.410 3.402 -3.410 1.00 0.00 C ATOM 0 H ALA B 55 -1.382 3.066 -5.050 1.00 0.00 H new ATOM 0 HA ALA B 55 1.125 4.358 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.346 3.536 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.271 4.217 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.042 2.452 -3.124 1.00 0.00 H new ATOM 1316 N ILE B 56 1.163 1.069 -5.380 1.00 0.00 N ATOM 1317 CA ILE B 56 2.003 -0.079 -5.710 1.00 0.00 C ATOM 1318 C ILE B 56 2.598 0.081 -7.108 1.00 0.00 C ATOM 1319 O ILE B 56 3.782 -0.178 -7.324 1.00 0.00 O ATOM 1320 CB ILE B 56 1.163 -1.360 -5.647 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.752 -1.624 -4.194 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.980 -2.547 -6.168 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.295 -2.740 -4.144 1.00 0.00 C ATOM 0 H ILE B 56 0.175 0.848 -5.256 1.00 0.00 H new ATOM 0 HA ILE B 56 2.819 -0.141 -4.990 1.00 0.00 H new ATOM 0 HB ILE B 56 0.274 -1.238 -6.266 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.625 -1.906 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.348 -0.714 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.376 -3.453 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.274 -2.361 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.872 -2.672 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.583 -2.923 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.173 -2.441 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.124 -3.651 -4.570 1.00 0.00 H new ATOM 1335 N ASP B 57 1.763 0.503 -8.051 1.00 0.00 N ATOM 1336 CA ASP B 57 2.208 0.692 -9.429 1.00 0.00 C ATOM 1337 C ASP B 57 3.292 1.764 -9.508 1.00 0.00 C ATOM 1338 O ASP B 57 4.341 1.559 -10.123 1.00 0.00 O ATOM 1339 CB ASP B 57 1.015 1.094 -10.298 1.00 0.00 C ATOM 1340 CG ASP B 57 1.463 1.334 -11.736 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.963 0.403 -12.346 1.00 0.00 O ATOM 1342 OD2 ASP B 57 1.296 2.446 -12.210 1.00 0.00 O ATOM 0 H ASP B 57 0.780 0.720 -7.889 1.00 0.00 H new ATOM 0 HA ASP B 57 2.628 -0.246 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.258 0.311 -10.272 1.00 0.00 H new ATOM 0 HB3 ASP B 57 0.554 1.997 -9.898 1.00 0.00 H new ATOM 1347 N ALA B 58 3.033 2.908 -8.883 1.00 0.00 N ATOM 1348 CA ALA B 58 3.992 4.004 -8.889 1.00 0.00 C ATOM 1349 C ALA B 58 5.259 3.617 -8.128 1.00 0.00 C ATOM 1350 O ALA B 58 6.370 3.944 -8.548 1.00 0.00 O ATOM 1351 CB ALA B 58 3.363 5.244 -8.256 1.00 0.00 C ATOM 0 H ALA B 58 2.173 3.099 -8.369 1.00 0.00 H new ATOM 0 HA ALA B 58 4.263 4.223 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.084 6.061 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA B 58 2.480 5.535 -8.825 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.076 5.022 -7.228 1.00 0.00 H new ATOM 1357 N ALA B 59 5.087 2.913 -7.012 1.00 0.00 N ATOM 1358 CA ALA B 59 6.226 2.483 -6.208 1.00 0.00 C ATOM 1359 C ALA B 59 7.110 1.543 -7.017 1.00 0.00 C ATOM 1360 O ALA B 59 8.338 1.618 -6.956 1.00 0.00 O ATOM 1361 CB ALA B 59 5.727 1.772 -4.946 1.00 0.00 C ATOM 0 H ALA B 59 4.178 2.630 -6.647 1.00 0.00 H new ATOM 0 HA ALA B 59 6.810 3.357 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.580 1.452 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.111 2.456 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.135 0.902 -5.229 1.00 0.00 H new ATOM 1367 N ARG B 60 6.475 0.661 -7.779 1.00 0.00 N ATOM 1368 CA ARG B 60 7.199 -0.288 -8.606 1.00 0.00 C ATOM 1369 C ARG B 60 8.032 0.438 -9.658 1.00 0.00 C ATOM 1370 O ARG B 60 9.192 0.094 -9.886 1.00 0.00 O ATOM 1371 CB ARG B 60 6.209 -1.222 -9.299 1.00 0.00 C ATOM 1372 CG ARG B 60 6.954 -2.438 -9.886 1.00 0.00 C ATOM 1373 CD ARG B 60 7.031 -3.545 -8.833 1.00 0.00 C ATOM 1374 NE ARG B 60 5.684 -3.995 -8.527 1.00 0.00 N ATOM 1375 CZ ARG B 60 5.392 -4.610 -7.384 1.00 0.00 C ATOM 1376 NH1 ARG B 60 6.334 -4.890 -6.516 1.00 0.00 N ATOM 1377 NH2 ARG B 60 4.153 -4.939 -7.133 1.00 0.00 N ATOM 0 H ARG B 60 5.460 0.585 -7.839 1.00 0.00 H new ATOM 0 HA ARG B 60 7.868 -0.865 -7.967 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.453 -1.556 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.686 -0.688 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.437 -2.801 -10.774 1.00 0.00 H new ATOM 0 HG3 ARG B 60 7.957 -2.148 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.632 -4.376 -9.202 1.00 0.00 H new ATOM 0 HD3 ARG B 60 7.519 -3.175 -7.931 1.00 0.00 H new ATOM 0 HE ARG B 60 4.941 -3.835 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG B 60 7.302 -4.636 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG B 60 6.099 -5.362 -5.643 1.00 0.00 H new ATOM 0 HH21 ARG B 60 3.421 -4.724 -7.810 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.917 -5.411 -6.260 1.00 0.00 H new ATOM 1391 N GLN B 61 7.433 1.441 -10.298 1.00 0.00 N ATOM 1392 CA GLN B 61 8.139 2.202 -11.324 1.00 0.00 C ATOM 1393 C GLN B 61 9.331 2.924 -10.704 1.00 0.00 C ATOM 1394 O GLN B 61 10.420 2.953 -11.277 1.00 0.00 O ATOM 1395 CB GLN B 61 7.190 3.223 -11.963 1.00 0.00 C ATOM 1396 CG GLN B 61 7.918 3.975 -13.079 1.00 0.00 C ATOM 1397 CD GLN B 61 6.941 4.878 -13.830 1.00 0.00 C ATOM 1398 OE1 GLN B 61 5.726 4.697 -13.733 1.00 0.00 O ATOM 1399 NE2 GLN B 61 7.404 5.848 -14.577 1.00 0.00 N ATOM 0 H GLN B 61 6.474 1.742 -10.127 1.00 0.00 H new ATOM 0 HA GLN B 61 8.495 1.516 -12.093 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.312 2.717 -12.365 1.00 0.00 H new ATOM 0 HB3 GLN B 61 6.835 3.926 -11.209 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.727 4.572 -12.658 1.00 0.00 H new ATOM 0 HG3 GLN B 61 8.373 3.265 -13.770 1.00 0.00 H new ATOM 0 HE21 GLN B 61 8.410 5.996 -14.655 1.00 0.00 H new ATOM 0 HE22 GLN B 61 6.759 6.456 -15.081 1.00 0.00 H new ATOM 1408 N ALA B 62 9.114 3.497 -9.523 1.00 0.00 N ATOM 1409 CA ALA B 62 10.175 4.212 -8.823 1.00 0.00 C ATOM 1410 C ALA B 62 11.292 3.253 -8.422 1.00 0.00 C ATOM 1411 O ALA B 62 12.471 3.552 -8.597 1.00 0.00 O ATOM 1412 CB ALA B 62 9.604 4.889 -7.575 1.00 0.00 C ATOM 0 H ALA B 62 8.219 3.480 -9.034 1.00 0.00 H new ATOM 0 HA ALA B 62 10.587 4.968 -9.492 1.00 0.00 H new ATOM 0 HB1 ALA B 62 10.399 5.422 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA B 62 8.825 5.594 -7.867 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.180 4.134 -6.913 1.00 0.00 H new ATOM 1418 N LYS B 63 10.906 2.095 -7.891 1.00 0.00 N ATOM 1419 CA LYS B 63 11.880 1.090 -7.478 1.00 0.00 C ATOM 1420 C LYS B 63 12.663 0.583 -8.683 1.00 0.00 C ATOM 1421 O LYS B 63 13.881 0.410 -8.615 1.00 0.00 O ATOM 1422 CB LYS B 63 11.163 -0.083 -6.796 1.00 0.00 C ATOM 1423 CG LYS B 63 12.193 -1.101 -6.297 1.00 0.00 C ATOM 1424 CD LYS B 63 11.475 -2.231 -5.556 1.00 0.00 C ATOM 1425 CE LYS B 63 12.508 -3.239 -5.044 1.00 0.00 C ATOM 1426 NZ LYS B 63 13.145 -3.922 -6.204 1.00 0.00 N ATOM 0 H LYS B 63 9.933 1.831 -7.738 1.00 0.00 H new ATOM 0 HA LYS B 63 12.575 1.547 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.564 0.281 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.477 -0.559 -7.497 1.00 0.00 H new ATOM 0 HG2 LYS B 63 12.758 -1.504 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS B 63 12.909 -0.615 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS B 63 10.900 -1.827 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS B 63 10.767 -2.725 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.264 -2.730 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS B 63 12.028 -3.971 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.592 -4.805 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.422 -4.139 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 13.867 -3.299 -6.620 1.00 0.00 H new ATOM 1440 N LEU B 64 11.957 0.335 -9.780 1.00 0.00 N ATOM 1441 CA LEU B 64 12.598 -0.166 -10.987 1.00 0.00 C ATOM 1442 C LEU B 64 13.619 0.839 -11.522 1.00 0.00 C ATOM 1443 O LEU B 64 14.728 0.465 -11.903 1.00 0.00 O ATOM 1444 CB LEU B 64 11.534 -0.450 -12.061 1.00 0.00 C ATOM 1445 CG LEU B 64 12.191 -0.959 -13.357 1.00 0.00 C ATOM 1446 CD1 LEU B 64 12.988 -2.245 -13.076 1.00 0.00 C ATOM 1447 CD2 LEU B 64 11.102 -1.251 -14.396 1.00 0.00 C ATOM 0 H LEU B 64 10.949 0.472 -9.858 1.00 0.00 H new ATOM 0 HA LEU B 64 13.123 -1.089 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.826 -1.191 -11.691 1.00 0.00 H new ATOM 0 HB3 LEU B 64 10.967 0.458 -12.267 1.00 0.00 H new ATOM 0 HG LEU B 64 12.870 -0.196 -13.737 1.00 0.00 H new ATOM 0 HD11 LEU B 64 13.449 -2.597 -13.999 1.00 0.00 H new ATOM 0 HD12 LEU B 64 13.764 -2.038 -12.339 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.317 -3.012 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU B 64 11.564 -1.612 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU B 64 10.424 -2.011 -14.008 1.00 0.00 H new ATOM 0 HD23 LEU B 64 10.544 -0.338 -14.604 1.00 0.00 H new ATOM 1459 N MET B 65 13.233 2.112 -11.555 1.00 0.00 N ATOM 1460 CA MET B 65 14.121 3.157 -12.054 1.00 0.00 C ATOM 1461 C MET B 65 15.313 3.358 -11.117 1.00 0.00 C ATOM 1462 O MET B 65 16.433 3.588 -11.569 1.00 0.00 O ATOM 1463 CB MET B 65 13.347 4.468 -12.203 1.00 0.00 C ATOM 1464 CG MET B 65 12.377 4.356 -13.383 1.00 0.00 C ATOM 1465 SD MET B 65 11.409 5.879 -13.509 1.00 0.00 S ATOM 1466 CE MET B 65 12.778 6.995 -13.910 1.00 0.00 C ATOM 0 H MET B 65 12.319 2.442 -11.245 1.00 0.00 H new ATOM 0 HA MET B 65 14.502 2.848 -13.027 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.798 4.685 -11.287 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.039 5.295 -12.364 1.00 0.00 H new ATOM 0 HG2 MET B 65 12.929 4.185 -14.307 1.00 0.00 H new ATOM 0 HG3 MET B 65 11.715 3.501 -13.244 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.450 7.721 -14.654 1.00 0.00 H new ATOM 0 HE2 MET B 65 13.097 7.518 -13.008 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.612 6.418 -14.310 1.00 0.00 H new ATOM 1476 N GLY B 66 15.063 3.256 -9.814 1.00 0.00 N ATOM 1477 CA GLY B 66 16.124 3.414 -8.821 1.00 0.00 C ATOM 1478 C GLY B 66 16.426 4.888 -8.534 1.00 0.00 C ATOM 1479 O GLY B 66 17.399 5.204 -7.848 1.00 0.00 O ATOM 0 H GLY B 66 14.141 3.066 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY B 66 15.832 2.917 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.029 2.921 -9.176 1.00 0.00 H new ATOM 1483 N SER B 67 15.599 5.786 -9.058 1.00 0.00 N ATOM 1484 CA SER B 67 15.800 7.215 -8.840 1.00 0.00 C ATOM 1485 C SER B 67 17.204 7.628 -9.277 1.00 0.00 C ATOM 1486 O SER B 67 17.957 8.232 -8.511 1.00 0.00 O ATOM 1487 CB SER B 67 15.593 7.557 -7.363 1.00 0.00 C ATOM 1488 OG SER B 67 16.163 8.830 -7.089 1.00 0.00 O ATOM 0 H SER B 67 14.789 5.553 -9.632 1.00 0.00 H new ATOM 0 HA SER B 67 15.071 7.762 -9.438 1.00 0.00 H new ATOM 0 HB2 SER B 67 14.529 7.564 -7.126 1.00 0.00 H new ATOM 0 HB3 SER B 67 16.055 6.796 -6.734 1.00 0.00 H new ATOM 0 HG SER B 67 17.132 8.793 -7.233 1.00 0.00 H new ATOM 1494 N ALA B 68 17.550 7.295 -10.517 1.00 0.00 N ATOM 1495 CA ALA B 68 18.862 7.629 -11.057 1.00 0.00 C ATOM 1496 C ALA B 68 18.915 9.089 -11.490 1.00 0.00 C ATOM 1497 O ALA B 68 18.101 9.858 -11.008 1.00 0.00 O ATOM 1498 CB ALA B 68 19.165 6.726 -12.253 1.00 0.00 C ATOM 1499 OXT ALA B 68 19.771 9.416 -12.296 1.00 0.00 O ATOM 0 H ALA B 68 16.941 6.795 -11.165 1.00 0.00 H new ATOM 0 HA ALA B 68 19.609 7.474 -10.278 1.00 0.00 H new ATOM 0 HB1 ALA B 68 20.146 6.975 -12.658 1.00 0.00 H new ATOM 0 HB2 ALA B 68 19.158 5.684 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA B 68 18.407 6.874 -13.022 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.897 2.348 11.141 1.00 0.00 CA HETATM 1507 CA CA A 102 -2.231 -2.055 12.704 1.00 0.00 CA