USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= -0.0995 (180deg=-0.256) USER MOD Single : A 6 MET CE :methyl -170:sc= -0.776 (180deg=-1.08) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0447) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 20 GLN : amide:sc=-0.00482 K(o=-0.0048,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 69:sc= 0.69 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.108 (180deg=-0.462) USER MOD Single : A 28 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.986 K(o=-0.99,f=-2.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.811 K(o=-0.81,f=-2.3!) USER MOD Single : A 71 THR OG1 : rot -65:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.895 0.140 -4.038 1.00 0.00 N ATOM 2 CA MET A 1 0.230 -0.222 -3.183 1.00 0.00 C ATOM 3 C MET A 1 0.799 -1.580 -3.580 1.00 0.00 C ATOM 4 O MET A 1 2.014 -1.744 -3.698 1.00 0.00 O ATOM 5 CB MET A 1 -0.205 -0.248 -1.716 1.00 0.00 C ATOM 6 CG MET A 1 0.952 -0.399 -0.742 1.00 0.00 C ATOM 7 SD MET A 1 1.752 1.172 -0.365 1.00 0.00 S ATOM 8 CE MET A 1 2.649 0.747 1.125 1.00 0.00 C ATOM 0 H1 MET A 1 -0.681 1.028 -4.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.060 -0.615 -4.734 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.747 0.266 -3.455 1.00 0.00 H new ATOM 0 HA MET A 1 1.008 0.530 -3.311 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.743 0.672 -1.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.904 -1.071 -1.567 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.588 -0.848 0.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.688 -1.085 -1.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.196 1.620 1.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.947 0.421 1.892 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.351 -0.059 0.910 1.00 0.00 H new ATOM 18 N ASP A 2 -0.084 -2.550 -3.785 1.00 0.00 N ATOM 19 CA ASP A 2 0.331 -3.894 -4.170 1.00 0.00 C ATOM 20 C ASP A 2 1.048 -3.877 -5.517 1.00 0.00 C ATOM 21 O ASP A 2 0.412 -3.916 -6.570 1.00 0.00 O ATOM 22 CB ASP A 2 -0.880 -4.826 -4.235 1.00 0.00 C ATOM 23 CG ASP A 2 -0.494 -6.287 -4.106 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.182 -6.911 -5.142 1.00 0.00 O ATOM 25 OD2 ASP A 2 -0.504 -6.805 -2.970 1.00 0.00 O ATOM 0 H ASP A 2 -1.093 -2.431 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 2 1.024 -4.264 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.578 -4.566 -3.439 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.402 -4.673 -5.180 1.00 0.00 H new ATOM 30 N ARG A 3 2.375 -3.816 -5.474 1.00 0.00 N ATOM 31 CA ARG A 3 3.178 -3.790 -6.690 1.00 0.00 C ATOM 32 C ARG A 3 3.036 -5.098 -7.463 1.00 0.00 C ATOM 33 O ARG A 3 3.077 -6.182 -6.880 1.00 0.00 O ATOM 34 CB ARG A 3 4.649 -3.543 -6.351 1.00 0.00 C ATOM 35 CG ARG A 3 5.587 -3.732 -7.532 1.00 0.00 C ATOM 36 CD ARG A 3 6.775 -2.785 -7.456 1.00 0.00 C ATOM 37 NE ARG A 3 7.911 -3.270 -8.236 1.00 0.00 N ATOM 38 CZ ARG A 3 9.134 -2.759 -8.149 1.00 0.00 C ATOM 39 NH1 ARG A 3 9.378 -1.753 -7.319 1.00 0.00 N ATOM 40 NH2 ARG A 3 10.116 -3.254 -8.891 1.00 0.00 N ATOM 0 H ARG A 3 2.916 -3.784 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 3 2.815 -2.976 -7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.759 -2.528 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.947 -4.219 -5.550 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.942 -4.762 -7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.043 -3.562 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.479 -1.801 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.075 -2.663 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 3 7.757 -4.043 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.626 -1.371 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.318 -1.362 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.932 -4.028 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.055 -2.861 -8.823 1.00 0.00 H new ATOM 54 N ILE A 4 2.870 -4.989 -8.777 1.00 0.00 N ATOM 55 CA ILE A 4 2.722 -6.162 -9.628 1.00 0.00 C ATOM 56 C ILE A 4 3.569 -6.035 -10.890 1.00 0.00 C ATOM 57 O ILE A 4 3.256 -5.247 -11.783 1.00 0.00 O ATOM 58 CB ILE A 4 1.252 -6.386 -10.029 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.390 -6.612 -8.786 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.137 -7.567 -10.982 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.072 -6.840 -9.098 1.00 0.00 C ATOM 0 H ILE A 4 2.835 -4.100 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 4 3.065 -7.018 -9.048 1.00 0.00 H new ATOM 0 HB ILE A 4 0.891 -5.494 -10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.775 -7.472 -8.238 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.482 -5.748 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.092 -7.713 -11.256 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.724 -7.369 -11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.513 -8.466 -10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.623 -6.993 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.473 -5.970 -9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.176 -7.721 -9.731 1.00 0.00 H new ATOM 73 N PHE A 5 4.640 -6.818 -10.959 1.00 0.00 N ATOM 74 CA PHE A 5 5.532 -6.794 -12.112 1.00 0.00 C ATOM 75 C PHE A 5 5.035 -7.738 -13.203 1.00 0.00 C ATOM 76 O PHE A 5 4.727 -8.900 -12.940 1.00 0.00 O ATOM 77 CB PHE A 5 6.952 -7.182 -11.695 1.00 0.00 C ATOM 78 CG PHE A 5 7.079 -8.615 -11.264 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.840 -8.981 -9.949 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.438 -9.597 -12.173 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.957 -10.299 -9.549 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.557 -10.917 -11.780 1.00 0.00 C ATOM 83 CZ PHE A 5 7.315 -11.268 -10.466 1.00 0.00 C ATOM 0 H PHE A 5 4.911 -7.477 -10.230 1.00 0.00 H new ATOM 0 HA PHE A 5 5.543 -5.779 -12.510 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.630 -7.000 -12.529 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.272 -6.535 -10.878 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.559 -8.228 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.627 -9.328 -13.202 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.769 -10.571 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.839 -11.672 -12.499 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.406 -12.299 -10.156 1.00 0.00 H new ATOM 93 N MET A 6 4.958 -7.229 -14.429 1.00 0.00 N ATOM 94 CA MET A 6 4.499 -8.026 -15.560 1.00 0.00 C ATOM 95 C MET A 6 5.353 -7.759 -16.796 1.00 0.00 C ATOM 96 O MET A 6 5.807 -6.636 -17.018 1.00 0.00 O ATOM 97 CB MET A 6 3.031 -7.721 -15.864 1.00 0.00 C ATOM 98 CG MET A 6 2.071 -8.784 -15.355 1.00 0.00 C ATOM 99 SD MET A 6 0.705 -8.089 -14.405 1.00 0.00 S ATOM 100 CE MET A 6 0.257 -9.489 -13.381 1.00 0.00 C ATOM 0 H MET A 6 5.208 -6.268 -14.664 1.00 0.00 H new ATOM 0 HA MET A 6 4.596 -9.079 -15.294 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.768 -6.762 -15.418 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.906 -7.616 -16.942 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.672 -9.343 -16.201 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.617 -9.493 -14.733 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.681 -9.278 -12.867 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.137 -10.374 -14.006 1.00 0.00 H new ATOM 0 HE3 MET A 6 1.042 -9.668 -12.646 1.00 0.00 H new ATOM 110 N THR A 7 5.568 -8.797 -17.597 1.00 0.00 N ATOM 111 CA THR A 7 6.368 -8.675 -18.809 1.00 0.00 C ATOM 112 C THR A 7 5.519 -8.197 -19.982 1.00 0.00 C ATOM 113 O THR A 7 4.327 -7.932 -19.830 1.00 0.00 O ATOM 114 CB THR A 7 7.032 -10.014 -19.182 1.00 0.00 C ATOM 115 OG1 THR A 7 6.029 -10.988 -19.491 1.00 0.00 O ATOM 116 CG2 THR A 7 7.905 -10.520 -18.044 1.00 0.00 C ATOM 0 H THR A 7 5.199 -9.733 -17.428 1.00 0.00 H new ATOM 0 HA THR A 7 7.145 -7.939 -18.602 1.00 0.00 H new ATOM 0 HB THR A 7 7.662 -9.852 -20.057 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.459 -11.836 -19.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.363 -11.467 -18.330 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.685 -9.789 -17.831 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.293 -10.668 -17.154 1.00 0.00 H new ATOM 124 N ARG A 8 6.141 -8.091 -21.152 1.00 0.00 N ATOM 125 CA ARG A 8 5.442 -7.645 -22.351 1.00 0.00 C ATOM 126 C ARG A 8 4.155 -8.438 -22.557 1.00 0.00 C ATOM 127 O ARG A 8 3.075 -7.864 -22.697 1.00 0.00 O ATOM 128 CB ARG A 8 6.345 -7.791 -23.577 1.00 0.00 C ATOM 129 CG ARG A 8 7.572 -6.894 -23.541 1.00 0.00 C ATOM 130 CD ARG A 8 8.504 -7.177 -24.708 1.00 0.00 C ATOM 131 NE ARG A 8 9.767 -6.453 -24.589 1.00 0.00 N ATOM 132 CZ ARG A 8 10.740 -6.519 -25.491 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.596 -7.271 -26.573 1.00 0.00 N ATOM 134 NH2 ARG A 8 11.860 -5.830 -25.311 1.00 0.00 N ATOM 0 H ARG A 8 7.127 -8.308 -21.295 1.00 0.00 H new ATOM 0 HA ARG A 8 5.184 -6.594 -22.221 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.667 -8.829 -23.659 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.766 -7.565 -24.473 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.261 -5.850 -23.567 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.106 -7.044 -22.603 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.704 -8.247 -24.761 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.013 -6.898 -25.640 1.00 0.00 H new ATOM 0 HE ARG A 8 9.910 -5.864 -23.768 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.736 -7.801 -26.715 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.345 -7.320 -27.264 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.974 -5.250 -24.480 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.607 -5.881 -26.004 1.00 0.00 H new ATOM 148 N THR A 9 4.278 -9.761 -22.574 1.00 0.00 N ATOM 149 CA THR A 9 3.125 -10.633 -22.764 1.00 0.00 C ATOM 150 C THR A 9 2.208 -10.606 -21.546 1.00 0.00 C ATOM 151 O THR A 9 0.987 -10.531 -21.680 1.00 0.00 O ATOM 152 CB THR A 9 3.559 -12.087 -23.033 1.00 0.00 C ATOM 153 OG1 THR A 9 4.392 -12.142 -24.196 1.00 0.00 O ATOM 154 CG2 THR A 9 2.347 -12.985 -23.227 1.00 0.00 C ATOM 0 H THR A 9 5.164 -10.253 -22.459 1.00 0.00 H new ATOM 0 HA THR A 9 2.583 -10.256 -23.632 1.00 0.00 H new ATOM 0 HB THR A 9 4.120 -12.442 -22.169 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.665 -13.069 -24.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.677 -14.006 -23.416 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.730 -12.963 -22.328 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.763 -12.630 -24.076 1.00 0.00 H new ATOM 162 N GLU A 10 2.805 -10.666 -20.360 1.00 0.00 N ATOM 163 CA GLU A 10 2.040 -10.648 -19.119 1.00 0.00 C ATOM 164 C GLU A 10 1.239 -9.355 -18.992 1.00 0.00 C ATOM 165 O GLU A 10 0.280 -9.279 -18.225 1.00 0.00 O ATOM 166 CB GLU A 10 2.973 -10.803 -17.916 1.00 0.00 C ATOM 167 CG GLU A 10 2.430 -11.729 -16.840 1.00 0.00 C ATOM 168 CD GLU A 10 2.575 -13.194 -17.204 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.467 -13.519 -18.405 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.795 -14.014 -16.289 1.00 0.00 O ATOM 0 H GLU A 10 3.815 -10.727 -20.232 1.00 0.00 H new ATOM 0 HA GLU A 10 1.343 -11.486 -19.140 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.935 -11.184 -18.260 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.156 -9.821 -17.480 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.953 -11.538 -15.903 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.377 -11.503 -16.669 1.00 0.00 H new ATOM 177 N ALA A 11 1.642 -8.340 -19.749 1.00 0.00 N ATOM 178 CA ALA A 11 0.963 -7.050 -19.723 1.00 0.00 C ATOM 179 C ALA A 11 -0.545 -7.221 -19.873 1.00 0.00 C ATOM 180 O ALA A 11 -1.325 -6.415 -19.364 1.00 0.00 O ATOM 181 CB ALA A 11 1.505 -6.146 -20.820 1.00 0.00 C ATOM 0 H ALA A 11 2.436 -8.386 -20.388 1.00 0.00 H new ATOM 0 HA ALA A 11 1.156 -6.585 -18.756 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.989 -5.186 -20.789 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.573 -5.989 -20.668 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.342 -6.614 -21.791 1.00 0.00 H new ATOM 187 N LEU A 12 -0.949 -8.275 -20.574 1.00 0.00 N ATOM 188 CA LEU A 12 -2.365 -8.552 -20.791 1.00 0.00 C ATOM 189 C LEU A 12 -3.136 -8.515 -19.475 1.00 0.00 C ATOM 190 O LEU A 12 -4.235 -7.967 -19.404 1.00 0.00 O ATOM 191 CB LEU A 12 -2.542 -9.916 -21.460 1.00 0.00 C ATOM 192 CG LEU A 12 -2.052 -11.124 -20.661 1.00 0.00 C ATOM 193 CD1 LEU A 12 -3.190 -11.724 -19.850 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.448 -12.168 -21.589 1.00 0.00 C ATOM 0 H LEU A 12 -0.317 -8.951 -21.002 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.764 -7.778 -21.446 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.600 -10.056 -21.680 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.018 -9.901 -22.415 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.278 -10.789 -19.971 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.823 -12.583 -19.288 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.578 -10.976 -19.158 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.986 -12.044 -20.522 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.105 -13.021 -21.003 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.201 -12.499 -22.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.605 -11.733 -22.126 1.00 0.00 H new ATOM 206 N GLU A 13 -2.549 -9.100 -18.435 1.00 0.00 N ATOM 207 CA GLU A 13 -3.181 -9.132 -17.121 1.00 0.00 C ATOM 208 C GLU A 13 -3.327 -7.723 -16.553 1.00 0.00 C ATOM 209 O GLU A 13 -4.304 -7.415 -15.871 1.00 0.00 O ATOM 210 CB GLU A 13 -2.365 -10.000 -16.160 1.00 0.00 C ATOM 211 CG GLU A 13 -3.029 -10.199 -14.808 1.00 0.00 C ATOM 212 CD GLU A 13 -2.484 -11.401 -14.062 1.00 0.00 C ATOM 213 OE1 GLU A 13 -1.685 -12.155 -14.657 1.00 0.00 O ATOM 214 OE2 GLU A 13 -2.857 -11.589 -12.885 1.00 0.00 O ATOM 0 H GLU A 13 -1.638 -9.557 -18.477 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.175 -9.564 -17.234 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.195 -10.974 -16.619 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.387 -9.542 -16.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.886 -9.304 -14.202 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.103 -10.320 -14.949 1.00 0.00 H new ATOM 221 N PHE A 14 -2.347 -6.872 -16.839 1.00 0.00 N ATOM 222 CA PHE A 14 -2.365 -5.496 -16.355 1.00 0.00 C ATOM 223 C PHE A 14 -3.490 -4.703 -17.014 1.00 0.00 C ATOM 224 O PHE A 14 -4.361 -4.159 -16.334 1.00 0.00 O ATOM 225 CB PHE A 14 -1.020 -4.820 -16.630 1.00 0.00 C ATOM 226 CG PHE A 14 -1.046 -3.331 -16.431 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.707 -2.776 -15.348 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.409 -2.488 -17.327 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.734 -1.406 -15.163 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.432 -1.118 -17.147 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.094 -0.576 -16.063 1.00 0.00 C ATOM 0 H PHE A 14 -1.531 -7.110 -17.403 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.541 -5.517 -15.279 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.264 -5.253 -15.975 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.716 -5.037 -17.654 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.207 -3.420 -14.640 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.112 -2.906 -18.176 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.255 -0.985 -14.316 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.067 -0.472 -17.854 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.111 0.494 -15.919 1.00 0.00 H new ATOM 241 N LEU A 15 -3.464 -4.641 -18.340 1.00 0.00 N ATOM 242 CA LEU A 15 -4.481 -3.914 -19.092 1.00 0.00 C ATOM 243 C LEU A 15 -5.873 -4.460 -18.793 1.00 0.00 C ATOM 244 O LEU A 15 -6.846 -3.707 -18.727 1.00 0.00 O ATOM 245 CB LEU A 15 -4.196 -4.005 -20.593 1.00 0.00 C ATOM 246 CG LEU A 15 -3.941 -5.408 -21.143 1.00 0.00 C ATOM 247 CD1 LEU A 15 -5.248 -6.065 -21.559 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.973 -5.353 -22.316 1.00 0.00 C ATOM 0 H LEU A 15 -2.750 -5.085 -18.917 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.447 -2.869 -18.785 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.041 -3.574 -21.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.327 -3.386 -20.816 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.491 -6.010 -20.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.046 -7.063 -21.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.909 -6.139 -20.695 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.727 -5.464 -22.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.803 -6.361 -22.695 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.395 -4.734 -23.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.026 -4.925 -21.987 1.00 0.00 H new ATOM 260 N LEU A 16 -5.962 -5.773 -18.612 1.00 0.00 N ATOM 261 CA LEU A 16 -7.235 -6.421 -18.317 1.00 0.00 C ATOM 262 C LEU A 16 -7.647 -6.178 -16.868 1.00 0.00 C ATOM 263 O LEU A 16 -8.835 -6.134 -16.548 1.00 0.00 O ATOM 264 CB LEU A 16 -7.141 -7.923 -18.587 1.00 0.00 C ATOM 265 CG LEU A 16 -8.396 -8.741 -18.281 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.540 -8.324 -19.191 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.112 -10.229 -18.425 1.00 0.00 C ATOM 0 H LEU A 16 -5.167 -6.410 -18.664 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.994 -5.988 -18.969 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.885 -8.068 -19.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.317 -8.326 -17.999 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.690 -8.546 -17.250 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.425 -8.917 -18.959 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.761 -7.268 -19.037 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.256 -8.488 -20.231 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.017 -10.795 -18.203 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.792 -10.441 -19.445 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.324 -10.518 -17.730 1.00 0.00 H new ATOM 279 N LYS A 17 -6.657 -6.019 -15.996 1.00 0.00 N ATOM 280 CA LYS A 17 -6.915 -5.777 -14.582 1.00 0.00 C ATOM 281 C LYS A 17 -7.514 -4.391 -14.367 1.00 0.00 C ATOM 282 O LYS A 17 -8.583 -4.251 -13.773 1.00 0.00 O ATOM 283 CB LYS A 17 -5.622 -5.916 -13.776 1.00 0.00 C ATOM 284 CG LYS A 17 -5.750 -5.451 -12.335 1.00 0.00 C ATOM 285 CD LYS A 17 -4.598 -5.956 -11.482 1.00 0.00 C ATOM 286 CE LYS A 17 -4.747 -7.436 -11.164 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.798 -7.680 -10.138 1.00 0.00 N ATOM 0 H LYS A 17 -5.668 -6.053 -16.244 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.633 -6.521 -14.237 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.308 -6.960 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.835 -5.342 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.777 -4.362 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.694 -5.805 -11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.656 -5.788 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.554 -5.386 -10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.996 -7.980 -12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.794 -7.829 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.754 -8.671 -9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.640 -7.053 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.734 -7.487 -10.547 1.00 0.00 H new ATOM 301 N ALA A 18 -6.819 -3.369 -14.855 1.00 0.00 N ATOM 302 CA ALA A 18 -7.284 -1.994 -14.720 1.00 0.00 C ATOM 303 C ALA A 18 -8.680 -1.826 -15.311 1.00 0.00 C ATOM 304 O ALA A 18 -9.545 -1.185 -14.714 1.00 0.00 O ATOM 305 CB ALA A 18 -6.307 -1.038 -15.388 1.00 0.00 C ATOM 0 H ALA A 18 -5.931 -3.467 -15.348 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.337 -1.757 -13.657 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.667 -0.015 -15.279 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.328 -1.130 -14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.225 -1.283 -16.447 1.00 0.00 H new ATOM 311 N HIS A 19 -8.892 -2.405 -16.488 1.00 0.00 N ATOM 312 CA HIS A 19 -10.184 -2.319 -17.161 1.00 0.00 C ATOM 313 C HIS A 19 -11.289 -2.910 -16.291 1.00 0.00 C ATOM 314 O HIS A 19 -12.376 -2.343 -16.182 1.00 0.00 O ATOM 315 CB HIS A 19 -10.133 -3.046 -18.505 1.00 0.00 C ATOM 316 CG HIS A 19 -11.279 -2.715 -19.409 1.00 0.00 C ATOM 317 ND1 HIS A 19 -11.468 -1.463 -19.957 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.299 -3.480 -19.863 1.00 0.00 C ATOM 319 CE1 HIS A 19 -12.556 -1.473 -20.707 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.078 -2.685 -20.667 1.00 0.00 N ATOM 0 H HIS A 19 -8.187 -2.939 -16.996 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.406 -1.266 -17.335 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.199 -2.796 -19.009 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.120 -4.121 -18.327 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.469 -4.522 -19.635 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.951 -0.633 -21.259 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.923 -2.983 -21.154 1.00 0.00 H new ATOM 328 N GLN A 20 -11.004 -4.053 -15.676 1.00 0.00 N ATOM 329 CA GLN A 20 -11.975 -4.721 -14.817 1.00 0.00 C ATOM 330 C GLN A 20 -12.309 -3.863 -13.601 1.00 0.00 C ATOM 331 O GLN A 20 -13.405 -3.950 -13.047 1.00 0.00 O ATOM 332 CB GLN A 20 -11.438 -6.080 -14.365 1.00 0.00 C ATOM 333 CG GLN A 20 -11.645 -7.187 -15.386 1.00 0.00 C ATOM 334 CD GLN A 20 -13.038 -7.781 -15.329 1.00 0.00 C ATOM 335 OE1 GLN A 20 -14.016 -7.141 -15.717 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.137 -9.013 -14.842 1.00 0.00 N ATOM 0 H GLN A 20 -10.109 -4.536 -15.756 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.888 -4.872 -15.393 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.373 -5.988 -14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.926 -6.362 -13.432 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.463 -6.792 -16.386 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.911 -7.975 -15.216 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.301 -9.507 -14.532 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.049 -9.464 -14.778 1.00 0.00 H new ATOM 345 N THR A 21 -11.355 -3.032 -13.190 1.00 0.00 N ATOM 346 CA THR A 21 -11.547 -2.159 -12.039 1.00 0.00 C ATOM 347 C THR A 21 -12.258 -0.871 -12.438 1.00 0.00 C ATOM 348 O THR A 21 -13.054 -0.329 -11.673 1.00 0.00 O ATOM 349 CB THR A 21 -10.204 -1.805 -11.373 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.359 -2.961 -11.328 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.422 -1.275 -9.964 1.00 0.00 C ATOM 0 H THR A 21 -10.442 -2.946 -13.637 1.00 0.00 H new ATOM 0 HA THR A 21 -12.165 -2.706 -11.327 1.00 0.00 H new ATOM 0 HB THR A 21 -9.723 -1.027 -11.967 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.074 -3.193 -12.236 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.460 -1.032 -9.514 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.041 -0.379 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.922 -2.034 -9.363 1.00 0.00 H new ATOM 359 N ALA A 22 -11.965 -0.388 -13.641 1.00 0.00 N ATOM 360 CA ALA A 22 -12.579 0.836 -14.142 1.00 0.00 C ATOM 361 C ALA A 22 -14.053 0.617 -14.466 1.00 0.00 C ATOM 362 O ALA A 22 -14.915 1.379 -14.027 1.00 0.00 O ATOM 363 CB ALA A 22 -11.835 1.334 -15.373 1.00 0.00 C ATOM 0 H ALA A 22 -11.307 -0.825 -14.286 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.514 1.593 -13.360 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.304 2.248 -15.737 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.796 1.538 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.871 0.573 -16.153 1.00 0.00 H new ATOM 369 N VAL A 23 -14.337 -0.428 -15.237 1.00 0.00 N ATOM 370 CA VAL A 23 -15.707 -0.746 -15.619 1.00 0.00 C ATOM 371 C VAL A 23 -16.591 -0.933 -14.391 1.00 0.00 C ATOM 372 O VAL A 23 -17.776 -0.600 -14.410 1.00 0.00 O ATOM 373 CB VAL A 23 -15.767 -2.022 -16.480 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.196 -2.300 -16.924 1.00 0.00 C ATOM 375 CG2 VAL A 23 -14.842 -1.898 -17.681 1.00 0.00 C ATOM 0 H VAL A 23 -13.636 -1.069 -15.609 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.076 0.096 -16.204 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.429 -2.864 -15.875 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.219 -3.205 -17.531 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.830 -2.435 -16.047 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.564 -1.459 -17.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.897 -2.808 -18.278 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.147 -1.046 -18.289 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.818 -1.751 -17.338 1.00 0.00 H new ATOM 385 N ASP A 24 -16.006 -1.468 -13.324 1.00 0.00 N ATOM 386 CA ASP A 24 -16.740 -1.698 -12.085 1.00 0.00 C ATOM 387 C ASP A 24 -16.777 -0.433 -11.233 1.00 0.00 C ATOM 388 O ASP A 24 -17.720 -0.211 -10.473 1.00 0.00 O ATOM 389 CB ASP A 24 -16.102 -2.842 -11.295 1.00 0.00 C ATOM 390 CG ASP A 24 -16.754 -3.044 -9.941 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.740 -3.807 -9.865 1.00 0.00 O ATOM 392 OD2 ASP A 24 -16.279 -2.439 -8.958 1.00 0.00 O ATOM 0 H ASP A 24 -15.026 -1.750 -13.293 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.763 -1.971 -12.342 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.176 -3.764 -11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.040 -2.637 -11.157 1.00 0.00 H new ATOM 397 N LYS A 25 -15.745 0.393 -11.364 1.00 0.00 N ATOM 398 CA LYS A 25 -15.659 1.636 -10.607 1.00 0.00 C ATOM 399 C LYS A 25 -16.818 2.565 -10.951 1.00 0.00 C ATOM 400 O LYS A 25 -17.309 3.304 -10.097 1.00 0.00 O ATOM 401 CB LYS A 25 -14.328 2.338 -10.889 1.00 0.00 C ATOM 402 CG LYS A 25 -14.214 3.707 -10.242 1.00 0.00 C ATOM 403 CD LYS A 25 -12.765 4.078 -9.974 1.00 0.00 C ATOM 404 CE LYS A 25 -12.002 4.317 -11.268 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.626 5.392 -12.089 1.00 0.00 N ATOM 0 H LYS A 25 -14.956 0.224 -11.988 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.716 1.390 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.512 1.708 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.203 2.443 -11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.668 4.456 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.772 3.716 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.726 4.975 -9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.283 3.281 -9.408 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.972 4.588 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.967 3.393 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.956 5.702 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.489 5.027 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.869 6.198 -11.479 1.00 0.00 H new ATOM 419 N ILE A 26 -17.253 2.521 -12.206 1.00 0.00 N ATOM 420 CA ILE A 26 -18.357 3.357 -12.662 1.00 0.00 C ATOM 421 C ILE A 26 -19.694 2.826 -12.155 1.00 0.00 C ATOM 422 O ILE A 26 -20.666 3.571 -12.042 1.00 0.00 O ATOM 423 CB ILE A 26 -18.401 3.443 -14.199 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.060 3.940 -14.742 1.00 0.00 C ATOM 425 CG2 ILE A 26 -19.532 4.357 -14.646 1.00 0.00 C ATOM 426 CD1 ILE A 26 -16.950 3.857 -16.249 1.00 0.00 C ATOM 0 H ILE A 26 -16.858 1.915 -12.925 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.187 4.354 -12.256 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.586 2.446 -14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.912 4.974 -14.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.257 3.355 -14.294 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -19.550 4.408 -15.735 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -20.482 3.963 -14.285 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -19.375 5.356 -14.239 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -15.974 4.226 -16.563 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.066 2.820 -16.566 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.731 4.465 -16.705 1.00 0.00 H new ATOM 438 N GLY A 27 -19.733 1.533 -11.848 1.00 0.00 N ATOM 439 CA GLY A 27 -20.955 0.925 -11.355 1.00 0.00 C ATOM 440 C GLY A 27 -21.848 0.427 -12.474 1.00 0.00 C ATOM 441 O GLY A 27 -23.070 0.383 -12.331 1.00 0.00 O ATOM 0 H GLY A 27 -18.941 0.896 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.703 0.093 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.502 1.652 -10.754 1.00 0.00 H new ATOM 445 N HIS A 28 -21.237 0.050 -13.593 1.00 0.00 N ATOM 446 CA HIS A 28 -21.985 -0.447 -14.742 1.00 0.00 C ATOM 447 C HIS A 28 -22.911 -1.588 -14.335 1.00 0.00 C ATOM 448 O HIS A 28 -22.698 -2.264 -13.328 1.00 0.00 O ATOM 449 CB HIS A 28 -21.026 -0.918 -15.836 1.00 0.00 C ATOM 450 CG HIS A 28 -20.650 0.159 -16.807 1.00 0.00 C ATOM 451 ND1 HIS A 28 -20.608 1.495 -16.470 1.00 0.00 N ATOM 452 CD2 HIS A 28 -20.295 0.090 -18.112 1.00 0.00 C ATOM 453 CE1 HIS A 28 -20.246 2.202 -17.526 1.00 0.00 C ATOM 454 NE2 HIS A 28 -20.049 1.373 -18.535 1.00 0.00 N ATOM 0 H HIS A 28 -20.226 0.079 -13.728 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.593 0.370 -15.130 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.121 -1.309 -15.371 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.486 -1.743 -16.381 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -20.219 -0.807 -18.709 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -20.131 3.275 -17.558 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.761 1.642 -19.476 1.00 0.00 H new ATOM 462 N PRO A 29 -23.965 -1.810 -15.135 1.00 0.00 N ATOM 463 CA PRO A 29 -24.945 -2.869 -14.877 1.00 0.00 C ATOM 464 C PRO A 29 -24.363 -4.262 -15.094 1.00 0.00 C ATOM 465 O PRO A 29 -23.167 -4.414 -15.338 1.00 0.00 O ATOM 466 CB PRO A 29 -26.050 -2.586 -15.898 1.00 0.00 C ATOM 467 CG PRO A 29 -25.367 -1.855 -17.002 1.00 0.00 C ATOM 468 CD PRO A 29 -24.281 -1.043 -16.352 1.00 0.00 C ATOM 0 HA PRO A 29 -25.290 -2.863 -13.843 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.504 -3.510 -16.256 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.849 -1.987 -15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.951 -2.550 -17.731 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.067 -1.213 -17.537 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.411 -0.942 -17.001 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.620 -0.035 -16.115 1.00 0.00 H new ATOM 476 N SER A 30 -25.218 -5.276 -15.004 1.00 0.00 N ATOM 477 CA SER A 30 -24.788 -6.657 -15.188 1.00 0.00 C ATOM 478 C SER A 30 -25.618 -7.346 -16.267 1.00 0.00 C ATOM 479 O SER A 30 -25.712 -8.573 -16.305 1.00 0.00 O ATOM 480 CB SER A 30 -24.902 -7.428 -13.871 1.00 0.00 C ATOM 481 OG SER A 30 -26.256 -7.562 -13.474 1.00 0.00 O ATOM 0 H SER A 30 -26.212 -5.167 -14.805 1.00 0.00 H new ATOM 0 HA SER A 30 -23.746 -6.648 -15.507 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.453 -8.415 -13.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.341 -6.910 -13.093 1.00 0.00 H new ATOM 0 HG SER A 30 -26.302 -8.060 -12.631 1.00 0.00 H new ATOM 487 N HIS A 31 -26.218 -6.547 -17.143 1.00 0.00 N ATOM 488 CA HIS A 31 -27.040 -7.078 -18.224 1.00 0.00 C ATOM 489 C HIS A 31 -26.222 -7.996 -19.128 1.00 0.00 C ATOM 490 O HIS A 31 -24.993 -7.937 -19.141 1.00 0.00 O ATOM 491 CB HIS A 31 -27.640 -5.937 -19.046 1.00 0.00 C ATOM 492 CG HIS A 31 -28.740 -6.373 -19.963 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.956 -6.841 -19.511 1.00 0.00 N ATOM 494 CD2 HIS A 31 -28.804 -6.409 -21.315 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.720 -7.147 -20.545 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.044 -6.894 -21.651 1.00 0.00 N ATOM 0 H HIS A 31 -26.150 -5.529 -17.125 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.848 -7.659 -17.780 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -28.024 -5.175 -18.368 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.850 -5.471 -19.635 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -28.025 -6.112 -22.001 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.726 -7.537 -20.494 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.387 -7.036 -22.601 1.00 0.00 H new ATOM 504 N LYS A 32 -26.913 -8.845 -19.882 1.00 0.00 N ATOM 505 CA LYS A 32 -26.252 -9.776 -20.789 1.00 0.00 C ATOM 506 C LYS A 32 -25.362 -9.031 -21.779 1.00 0.00 C ATOM 507 O LYS A 32 -25.604 -7.864 -22.087 1.00 0.00 O ATOM 508 CB LYS A 32 -27.291 -10.607 -21.545 1.00 0.00 C ATOM 509 CG LYS A 32 -28.019 -11.613 -20.670 1.00 0.00 C ATOM 510 CD LYS A 32 -27.108 -12.759 -20.262 1.00 0.00 C ATOM 511 CE LYS A 32 -27.146 -13.890 -21.278 1.00 0.00 C ATOM 512 NZ LYS A 32 -26.044 -14.868 -21.061 1.00 0.00 N ATOM 0 H LYS A 32 -27.931 -8.907 -19.883 1.00 0.00 H new ATOM 0 HA LYS A 32 -25.626 -10.442 -20.195 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -28.021 -9.936 -21.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -26.797 -11.137 -22.360 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -28.399 -11.114 -19.779 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -28.882 -12.006 -21.207 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -26.086 -12.394 -20.160 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -27.411 -13.136 -19.285 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -28.105 -14.404 -21.214 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -27.072 -13.477 -22.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -26.105 -15.623 -21.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -25.128 -14.383 -21.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.129 -15.281 -20.110 1.00 0.00 H new ATOM 526 N GLN A 33 -24.335 -9.714 -22.274 1.00 0.00 N ATOM 527 CA GLN A 33 -23.411 -9.116 -23.230 1.00 0.00 C ATOM 528 C GLN A 33 -24.163 -8.535 -24.423 1.00 0.00 C ATOM 529 O GLN A 33 -24.861 -9.252 -25.141 1.00 0.00 O ATOM 530 CB GLN A 33 -22.396 -10.156 -23.709 1.00 0.00 C ATOM 531 CG GLN A 33 -21.679 -10.872 -22.577 1.00 0.00 C ATOM 532 CD GLN A 33 -20.299 -11.359 -22.976 1.00 0.00 C ATOM 533 OE1 GLN A 33 -20.154 -12.154 -23.905 1.00 0.00 O ATOM 534 NE2 GLN A 33 -19.278 -10.883 -22.274 1.00 0.00 N ATOM 0 H GLN A 33 -24.122 -10.681 -22.029 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.882 -8.306 -22.728 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.908 -10.893 -24.328 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.657 -9.666 -24.343 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -21.590 -10.198 -21.725 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -22.280 -11.721 -22.251 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.445 -10.226 -21.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.326 -11.174 -22.496 1.00 0.00 H new ATOM 543 N THR A 34 -24.016 -7.229 -24.630 1.00 0.00 N ATOM 544 CA THR A 34 -24.682 -6.551 -25.735 1.00 0.00 C ATOM 545 C THR A 34 -23.938 -6.777 -27.046 1.00 0.00 C ATOM 546 O THR A 34 -22.756 -7.120 -27.067 1.00 0.00 O ATOM 547 CB THR A 34 -24.796 -5.037 -25.477 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.687 -4.588 -24.690 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.098 -4.707 -24.761 1.00 0.00 C ATOM 0 H THR A 34 -23.442 -6.621 -24.047 1.00 0.00 H new ATOM 0 HA THR A 34 -25.683 -6.976 -25.810 1.00 0.00 H new ATOM 0 HB THR A 34 -24.788 -4.526 -26.440 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.767 -3.624 -24.532 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.157 -3.632 -24.589 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.941 -5.023 -25.375 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.130 -5.229 -23.805 1.00 0.00 H new ATOM 557 N PRO A 35 -24.645 -6.579 -28.169 1.00 0.00 N ATOM 558 CA PRO A 35 -24.071 -6.754 -29.507 1.00 0.00 C ATOM 559 C PRO A 35 -23.048 -5.675 -29.844 1.00 0.00 C ATOM 560 O PRO A 35 -22.191 -5.867 -30.707 1.00 0.00 O ATOM 561 CB PRO A 35 -25.286 -6.647 -30.431 1.00 0.00 C ATOM 562 CG PRO A 35 -26.271 -5.829 -29.669 1.00 0.00 C ATOM 563 CD PRO A 35 -26.058 -6.169 -28.220 1.00 0.00 C ATOM 0 HA PRO A 35 -23.531 -7.696 -29.599 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.024 -6.172 -31.376 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.689 -7.631 -30.670 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.116 -4.765 -29.847 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.291 -6.058 -29.978 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.251 -5.313 -27.574 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.721 -6.970 -27.894 1.00 0.00 H new ATOM 571 N ALA A 36 -23.143 -4.541 -29.159 1.00 0.00 N ATOM 572 CA ALA A 36 -22.223 -3.433 -29.384 1.00 0.00 C ATOM 573 C ALA A 36 -20.788 -3.836 -29.063 1.00 0.00 C ATOM 574 O ALA A 36 -19.838 -3.260 -29.594 1.00 0.00 O ATOM 575 CB ALA A 36 -22.634 -2.228 -28.551 1.00 0.00 C ATOM 0 H ALA A 36 -23.848 -4.365 -28.443 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.269 -3.164 -30.439 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.938 -1.408 -28.729 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.640 -1.917 -28.832 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.619 -2.494 -27.494 1.00 0.00 H new ATOM 581 N ASP A 37 -20.638 -4.827 -28.192 1.00 0.00 N ATOM 582 CA ASP A 37 -19.318 -5.307 -27.800 1.00 0.00 C ATOM 583 C ASP A 37 -18.491 -5.685 -29.025 1.00 0.00 C ATOM 584 O ASP A 37 -17.262 -5.612 -29.004 1.00 0.00 O ATOM 585 CB ASP A 37 -19.446 -6.511 -26.866 1.00 0.00 C ATOM 586 CG ASP A 37 -18.125 -7.225 -26.655 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.362 -6.809 -25.759 1.00 0.00 O ATOM 588 OD2 ASP A 37 -17.855 -8.200 -27.387 1.00 0.00 O ATOM 0 H ASP A 37 -21.414 -5.314 -27.744 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.808 -4.501 -27.273 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.834 -6.180 -25.903 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.172 -7.211 -27.279 1.00 0.00 H new ATOM 593 N HIS A 38 -19.174 -6.088 -30.092 1.00 0.00 N ATOM 594 CA HIS A 38 -18.502 -6.477 -31.327 1.00 0.00 C ATOM 595 C HIS A 38 -17.572 -5.370 -31.812 1.00 0.00 C ATOM 596 O HIS A 38 -16.496 -5.639 -32.346 1.00 0.00 O ATOM 597 CB HIS A 38 -19.531 -6.806 -32.410 1.00 0.00 C ATOM 598 CG HIS A 38 -18.955 -7.545 -33.578 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.719 -8.903 -33.567 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.569 -7.108 -34.800 1.00 0.00 C ATOM 601 CE1 HIS A 38 -18.211 -9.269 -34.731 1.00 0.00 C ATOM 602 NE2 HIS A 38 -18.111 -8.198 -35.497 1.00 0.00 N ATOM 0 H HIS A 38 -20.191 -6.154 -30.126 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.904 -7.365 -31.122 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.330 -7.403 -31.971 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.983 -5.879 -32.764 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.613 -6.091 -35.160 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.926 -10.273 -35.008 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.752 -8.183 -36.452 1.00 0.00 H new ATOM 610 N ALA A 39 -17.994 -4.124 -31.622 1.00 0.00 N ATOM 611 CA ALA A 39 -17.197 -2.976 -32.039 1.00 0.00 C ATOM 612 C ALA A 39 -16.112 -2.660 -31.015 1.00 0.00 C ATOM 613 O ALA A 39 -15.052 -2.140 -31.361 1.00 0.00 O ATOM 614 CB ALA A 39 -18.091 -1.764 -32.254 1.00 0.00 C ATOM 0 H ALA A 39 -18.882 -3.884 -31.182 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.709 -3.226 -32.981 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.483 -0.914 -32.565 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.826 -1.987 -33.027 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.605 -1.521 -31.324 1.00 0.00 H new ATOM 620 N ALA A 40 -16.385 -2.977 -29.754 1.00 0.00 N ATOM 621 CA ALA A 40 -15.431 -2.728 -28.680 1.00 0.00 C ATOM 622 C ALA A 40 -14.089 -3.390 -28.974 1.00 0.00 C ATOM 623 O ALA A 40 -13.047 -2.943 -28.492 1.00 0.00 O ATOM 624 CB ALA A 40 -15.987 -3.224 -27.354 1.00 0.00 C ATOM 0 H ALA A 40 -17.259 -3.407 -29.451 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.269 -1.652 -28.613 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.264 -3.031 -26.561 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.917 -2.701 -27.131 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.179 -4.295 -27.418 1.00 0.00 H new ATOM 630 N ILE A 41 -14.121 -4.457 -29.765 1.00 0.00 N ATOM 631 CA ILE A 41 -12.907 -5.179 -30.122 1.00 0.00 C ATOM 632 C ILE A 41 -11.877 -4.247 -30.751 1.00 0.00 C ATOM 633 O ILE A 41 -10.675 -4.504 -30.692 1.00 0.00 O ATOM 634 CB ILE A 41 -13.204 -6.331 -31.100 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.223 -7.296 -30.491 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.921 -7.065 -31.461 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.768 -7.911 -29.186 1.00 0.00 C ATOM 0 H ILE A 41 -14.975 -4.840 -30.171 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.503 -5.592 -29.198 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.628 -5.912 -32.013 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -15.160 -6.765 -30.326 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.430 -8.092 -31.206 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.148 -7.876 -32.153 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.225 -6.371 -31.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.470 -7.475 -30.557 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.540 -8.584 -28.812 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.847 -8.470 -29.349 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.589 -7.122 -28.455 1.00 0.00 H new ATOM 649 N GLU A 42 -12.357 -3.162 -31.351 1.00 0.00 N ATOM 650 CA GLU A 42 -11.477 -2.190 -31.990 1.00 0.00 C ATOM 651 C GLU A 42 -10.565 -1.525 -30.963 1.00 0.00 C ATOM 652 O GLU A 42 -9.448 -1.119 -31.281 1.00 0.00 O ATOM 653 CB GLU A 42 -12.300 -1.128 -32.722 1.00 0.00 C ATOM 654 CG GLU A 42 -12.968 -0.129 -31.793 1.00 0.00 C ATOM 655 CD GLU A 42 -14.191 0.518 -32.414 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.835 -0.127 -33.267 1.00 0.00 O ATOM 657 OE2 GLU A 42 -14.503 1.670 -32.046 1.00 0.00 O ATOM 0 H GLU A 42 -13.350 -2.934 -31.408 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.856 -2.719 -32.713 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.651 -0.591 -33.414 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.065 -1.622 -33.321 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.257 -0.633 -30.871 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.250 0.645 -31.522 1.00 0.00 H new ATOM 664 N ALA A 43 -11.052 -1.416 -29.731 1.00 0.00 N ATOM 665 CA ALA A 43 -10.281 -0.802 -28.657 1.00 0.00 C ATOM 666 C ALA A 43 -9.180 -1.736 -28.168 1.00 0.00 C ATOM 667 O ALA A 43 -7.998 -1.388 -28.194 1.00 0.00 O ATOM 668 CB ALA A 43 -11.197 -0.413 -27.506 1.00 0.00 C ATOM 0 H ALA A 43 -11.976 -1.745 -29.452 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.808 0.098 -29.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.608 0.044 -26.711 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.944 0.298 -27.860 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.696 -1.302 -27.122 1.00 0.00 H new ATOM 674 N LEU A 44 -9.573 -2.923 -27.720 1.00 0.00 N ATOM 675 CA LEU A 44 -8.619 -3.908 -27.224 1.00 0.00 C ATOM 676 C LEU A 44 -7.637 -4.316 -28.318 1.00 0.00 C ATOM 677 O LEU A 44 -6.464 -4.574 -28.049 1.00 0.00 O ATOM 678 CB LEU A 44 -9.356 -5.142 -26.699 1.00 0.00 C ATOM 679 CG LEU A 44 -10.248 -5.869 -27.705 1.00 0.00 C ATOM 680 CD1 LEU A 44 -9.446 -6.905 -28.478 1.00 0.00 C ATOM 681 CD2 LEU A 44 -11.426 -6.524 -26.998 1.00 0.00 C ATOM 0 H LEU A 44 -10.546 -3.227 -27.690 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.057 -3.453 -26.408 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.617 -5.849 -26.322 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.970 -4.840 -25.851 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.636 -5.137 -28.413 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.097 -7.413 -29.189 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.636 -6.411 -29.015 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.029 -7.634 -27.784 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.050 -7.037 -27.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.057 -7.244 -26.267 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.015 -5.761 -26.490 1.00 0.00 H new ATOM 693 N ASP A 45 -8.125 -4.369 -29.553 1.00 0.00 N ATOM 694 CA ASP A 45 -7.290 -4.741 -30.689 1.00 0.00 C ATOM 695 C ASP A 45 -6.024 -3.892 -30.734 1.00 0.00 C ATOM 696 O ASP A 45 -4.911 -4.415 -30.669 1.00 0.00 O ATOM 697 CB ASP A 45 -8.070 -4.586 -31.995 1.00 0.00 C ATOM 698 CG ASP A 45 -7.200 -4.796 -33.218 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.860 -5.962 -33.512 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.859 -3.796 -33.883 1.00 0.00 O ATOM 0 H ASP A 45 -9.094 -4.159 -29.792 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.001 -5.785 -30.569 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.892 -5.301 -32.011 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.513 -3.591 -32.034 1.00 0.00 H new ATOM 705 N ARG A 46 -6.201 -2.580 -30.847 1.00 0.00 N ATOM 706 CA ARG A 46 -5.073 -1.658 -30.904 1.00 0.00 C ATOM 707 C ARG A 46 -4.145 -1.860 -29.709 1.00 0.00 C ATOM 708 O ARG A 46 -2.923 -1.786 -29.839 1.00 0.00 O ATOM 709 CB ARG A 46 -5.569 -0.212 -30.939 1.00 0.00 C ATOM 710 CG ARG A 46 -4.450 0.815 -31.008 1.00 0.00 C ATOM 711 CD ARG A 46 -4.929 2.119 -31.627 1.00 0.00 C ATOM 712 NE ARG A 46 -5.340 1.947 -33.017 1.00 0.00 N ATOM 713 CZ ARG A 46 -5.697 2.953 -33.808 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.691 4.196 -33.348 1.00 0.00 N ATOM 715 NH2 ARG A 46 -6.059 2.716 -35.063 1.00 0.00 N ATOM 0 H ARG A 46 -7.115 -2.131 -30.901 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.513 -1.865 -31.816 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.223 -0.082 -31.801 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.171 -0.022 -30.050 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.067 1.006 -30.005 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.623 0.415 -31.594 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.766 2.509 -31.047 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.131 2.860 -31.574 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.354 1.003 -33.402 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.412 4.382 -32.385 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.965 4.967 -33.957 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.063 1.761 -35.421 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.333 3.489 -35.669 1.00 0.00 H new ATOM 729 N LEU A 47 -4.734 -2.116 -28.546 1.00 0.00 N ATOM 730 CA LEU A 47 -3.962 -2.329 -27.327 1.00 0.00 C ATOM 731 C LEU A 47 -3.083 -3.570 -27.449 1.00 0.00 C ATOM 732 O LEU A 47 -1.869 -3.505 -27.254 1.00 0.00 O ATOM 733 CB LEU A 47 -4.897 -2.468 -26.125 1.00 0.00 C ATOM 734 CG LEU A 47 -4.276 -3.056 -24.857 1.00 0.00 C ATOM 735 CD1 LEU A 47 -3.009 -2.302 -24.484 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.276 -3.023 -23.710 1.00 0.00 C ATOM 0 H LEU A 47 -5.744 -2.181 -28.422 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.317 -1.463 -27.179 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.298 -1.483 -25.886 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.741 -3.094 -26.416 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.011 -4.095 -25.053 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.581 -2.734 -23.579 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.288 -2.377 -25.298 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.248 -1.253 -24.307 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.818 -3.445 -22.816 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.571 -1.992 -23.514 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.156 -3.608 -23.977 1.00 0.00 H new ATOM 748 N LEU A 48 -3.704 -4.698 -27.775 1.00 0.00 N ATOM 749 CA LEU A 48 -2.978 -5.955 -27.926 1.00 0.00 C ATOM 750 C LEU A 48 -1.822 -5.801 -28.908 1.00 0.00 C ATOM 751 O LEU A 48 -0.674 -6.114 -28.587 1.00 0.00 O ATOM 752 CB LEU A 48 -3.924 -7.058 -28.402 1.00 0.00 C ATOM 753 CG LEU A 48 -5.077 -7.407 -27.461 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.103 -8.276 -28.172 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.555 -8.107 -26.215 1.00 0.00 C ATOM 0 H LEU A 48 -4.708 -4.769 -27.940 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.570 -6.230 -26.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.344 -6.759 -29.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.338 -7.961 -28.577 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.565 -6.481 -27.156 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.916 -8.514 -27.486 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.500 -7.739 -29.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.629 -9.199 -28.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.389 -8.348 -25.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.042 -9.025 -26.501 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.859 -7.450 -25.693 1.00 0.00 H new ATOM 767 N LEU A 49 -2.130 -5.316 -30.106 1.00 0.00 N ATOM 768 CA LEU A 49 -1.116 -5.118 -31.135 1.00 0.00 C ATOM 769 C LEU A 49 0.030 -4.256 -30.613 1.00 0.00 C ATOM 770 O LEU A 49 1.201 -4.607 -30.761 1.00 0.00 O ATOM 771 CB LEU A 49 -1.736 -4.466 -32.372 1.00 0.00 C ATOM 772 CG LEU A 49 -0.758 -4.027 -33.462 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.147 -5.239 -34.149 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.456 -3.133 -34.477 1.00 0.00 C ATOM 0 H LEU A 49 -3.074 -5.053 -30.388 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.717 -6.095 -31.408 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.446 -5.167 -32.810 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.306 -3.594 -32.051 1.00 0.00 H new ATOM 0 HG LEU A 49 0.044 -3.455 -32.995 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.547 -4.908 -34.922 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.388 -5.842 -33.415 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.937 -5.837 -34.603 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.744 -2.830 -35.245 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.278 -3.680 -34.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.846 -2.248 -33.975 1.00 0.00 H new ATOM 786 N ASP A 50 -0.316 -3.130 -30.000 1.00 0.00 N ATOM 787 CA ASP A 50 0.683 -2.219 -29.452 1.00 0.00 C ATOM 788 C ASP A 50 1.647 -2.961 -28.531 1.00 0.00 C ATOM 789 O ASP A 50 2.860 -2.935 -28.735 1.00 0.00 O ATOM 790 CB ASP A 50 0.003 -1.081 -28.690 1.00 0.00 C ATOM 791 CG ASP A 50 -0.275 0.121 -29.571 1.00 0.00 C ATOM 792 OD1 ASP A 50 0.560 0.416 -30.451 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.327 0.767 -29.379 1.00 0.00 O ATOM 0 H ASP A 50 -1.281 -2.826 -29.870 1.00 0.00 H new ATOM 0 HA ASP A 50 1.252 -1.800 -30.282 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.934 -1.441 -28.265 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.635 -0.778 -27.856 1.00 0.00 H new ATOM 798 N VAL A 51 1.098 -3.620 -27.516 1.00 0.00 N ATOM 799 CA VAL A 51 1.909 -4.369 -26.563 1.00 0.00 C ATOM 800 C VAL A 51 2.756 -5.421 -27.270 1.00 0.00 C ATOM 801 O VAL A 51 3.889 -5.692 -26.871 1.00 0.00 O ATOM 802 CB VAL A 51 1.033 -5.060 -25.501 1.00 0.00 C ATOM 803 CG1 VAL A 51 1.894 -5.859 -24.536 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.192 -4.034 -24.756 1.00 0.00 C ATOM 0 H VAL A 51 0.095 -3.651 -27.332 1.00 0.00 H new ATOM 0 HA VAL A 51 2.564 -3.650 -26.071 1.00 0.00 H new ATOM 0 HB VAL A 51 0.358 -5.752 -26.005 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.258 -6.340 -23.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.448 -6.620 -25.087 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.595 -5.191 -24.035 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.421 -4.539 -24.009 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.847 -3.316 -24.262 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.453 -3.511 -25.462 1.00 0.00 H new ATOM 814 N ARG A 52 2.199 -6.012 -28.323 1.00 0.00 N ATOM 815 CA ARG A 52 2.904 -7.035 -29.085 1.00 0.00 C ATOM 816 C ARG A 52 4.018 -6.418 -29.925 1.00 0.00 C ATOM 817 O ARG A 52 5.005 -7.079 -30.248 1.00 0.00 O ATOM 818 CB ARG A 52 1.927 -7.789 -29.990 1.00 0.00 C ATOM 819 CG ARG A 52 2.523 -9.036 -30.623 1.00 0.00 C ATOM 820 CD ARG A 52 1.441 -10.025 -31.030 1.00 0.00 C ATOM 821 NE ARG A 52 0.491 -9.440 -31.972 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.314 -10.159 -32.747 1.00 0.00 C ATOM 823 NH1 ARG A 52 -0.283 -11.483 -32.692 1.00 0.00 N ATOM 824 NH2 ARG A 52 -1.152 -9.553 -33.578 1.00 0.00 N ATOM 0 H ARG A 52 1.263 -5.800 -28.667 1.00 0.00 H new ATOM 0 HA ARG A 52 3.351 -7.735 -28.379 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.049 -8.071 -29.408 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.585 -7.119 -30.779 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.110 -8.756 -31.498 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.206 -9.512 -29.919 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.904 -10.903 -31.480 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.908 -10.365 -30.142 1.00 0.00 H new ATOM 0 HE ARG A 52 0.443 -8.423 -32.039 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.360 -11.952 -32.054 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.902 -12.033 -33.288 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.179 -8.534 -33.622 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.770 -10.106 -34.173 1.00 0.00 H new ATOM 838 N ALA A 53 3.853 -5.146 -30.275 1.00 0.00 N ATOM 839 CA ALA A 53 4.845 -4.439 -31.075 1.00 0.00 C ATOM 840 C ALA A 53 5.806 -3.654 -30.189 1.00 0.00 C ATOM 841 O ALA A 53 6.397 -2.664 -30.623 1.00 0.00 O ATOM 842 CB ALA A 53 4.159 -3.511 -32.066 1.00 0.00 C ATOM 0 H ALA A 53 3.041 -4.585 -30.017 1.00 0.00 H new ATOM 0 HA ALA A 53 5.424 -5.178 -31.628 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.912 -2.989 -32.657 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.519 -4.094 -32.728 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.554 -2.783 -31.525 1.00 0.00 H new ATOM 848 N ARG A 54 5.957 -4.100 -28.947 1.00 0.00 N ATOM 849 CA ARG A 54 6.846 -3.437 -28.000 1.00 0.00 C ATOM 850 C ARG A 54 6.410 -1.994 -27.765 1.00 0.00 C ATOM 851 O ARG A 54 7.236 -1.081 -27.744 1.00 0.00 O ATOM 852 CB ARG A 54 8.287 -3.469 -28.511 1.00 0.00 C ATOM 853 CG ARG A 54 8.793 -4.869 -28.820 1.00 0.00 C ATOM 854 CD ARG A 54 10.213 -4.841 -29.361 1.00 0.00 C ATOM 855 NE ARG A 54 11.124 -4.124 -28.472 1.00 0.00 N ATOM 856 CZ ARG A 54 12.417 -3.955 -28.726 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.948 -4.447 -29.836 1.00 0.00 N ATOM 858 NH2 ARG A 54 13.181 -3.290 -27.868 1.00 0.00 N ATOM 0 H ARG A 54 5.476 -4.918 -28.572 1.00 0.00 H new ATOM 0 HA ARG A 54 6.792 -3.974 -27.053 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.358 -2.859 -29.412 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.938 -3.013 -27.765 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.759 -5.477 -27.916 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.134 -5.343 -29.548 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.569 -5.862 -29.498 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.217 -4.368 -30.343 1.00 0.00 H new ATOM 0 HE ARG A 54 10.747 -3.732 -27.609 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.364 -4.957 -30.498 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.941 -4.315 -30.028 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.775 -2.909 -27.013 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.174 -3.160 -28.063 1.00 0.00 H new ATOM 872 N ARG A 55 5.108 -1.795 -27.589 1.00 0.00 N ATOM 873 CA ARG A 55 4.562 -0.463 -27.357 1.00 0.00 C ATOM 874 C ARG A 55 3.941 -0.364 -25.967 1.00 0.00 C ATOM 875 O ARG A 55 3.044 0.445 -25.732 1.00 0.00 O ATOM 876 CB ARG A 55 3.515 -0.126 -28.420 1.00 0.00 C ATOM 877 CG ARG A 55 3.955 -0.461 -29.836 1.00 0.00 C ATOM 878 CD ARG A 55 5.113 0.417 -30.283 1.00 0.00 C ATOM 879 NE ARG A 55 4.652 1.672 -30.871 1.00 0.00 N ATOM 880 CZ ARG A 55 4.093 1.760 -32.073 1.00 0.00 C ATOM 881 NH1 ARG A 55 3.926 0.671 -32.810 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.699 2.938 -32.539 1.00 0.00 N ATOM 0 H ARG A 55 4.411 -2.540 -27.603 1.00 0.00 H new ATOM 0 HA ARG A 55 5.380 0.254 -27.422 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.596 -0.667 -28.197 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.281 0.937 -28.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.251 -1.509 -29.888 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.115 -0.333 -30.519 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.756 0.631 -29.430 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.718 -0.124 -31.011 1.00 0.00 H new ATOM 0 HE ARG A 55 4.766 2.528 -30.329 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.227 -0.236 -32.455 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.497 0.740 -33.733 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.825 3.778 -31.974 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.270 3.004 -33.462 1.00 0.00 H new ATOM 896 N VAL A 56 4.425 -1.194 -25.048 1.00 0.00 N ATOM 897 CA VAL A 56 3.919 -1.200 -23.681 1.00 0.00 C ATOM 898 C VAL A 56 4.914 -0.555 -22.723 1.00 0.00 C ATOM 899 O VAL A 56 6.122 -0.577 -22.959 1.00 0.00 O ATOM 900 CB VAL A 56 3.615 -2.632 -23.201 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.900 -3.434 -23.068 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.857 -2.602 -21.882 1.00 0.00 C ATOM 0 H VAL A 56 5.167 -1.871 -25.226 1.00 0.00 H new ATOM 0 HA VAL A 56 2.995 -0.622 -23.684 1.00 0.00 H new ATOM 0 HB VAL A 56 2.985 -3.120 -23.945 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.666 -4.443 -22.728 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.399 -3.484 -24.036 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.557 -2.951 -22.345 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.651 -3.622 -21.558 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.460 -2.096 -21.128 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.917 -2.066 -22.015 1.00 0.00 H new ATOM 912 N ASP A 57 4.399 0.018 -21.641 1.00 0.00 N ATOM 913 CA ASP A 57 5.243 0.668 -20.645 1.00 0.00 C ATOM 914 C ASP A 57 4.629 0.554 -19.253 1.00 0.00 C ATOM 915 O ASP A 57 3.559 -0.030 -19.084 1.00 0.00 O ATOM 916 CB ASP A 57 5.452 2.140 -21.005 1.00 0.00 C ATOM 917 CG ASP A 57 5.862 2.330 -22.452 1.00 0.00 C ATOM 918 OD1 ASP A 57 4.970 2.334 -23.326 1.00 0.00 O ATOM 919 OD2 ASP A 57 7.075 2.475 -22.710 1.00 0.00 O ATOM 0 H ASP A 57 3.401 0.046 -21.431 1.00 0.00 H new ATOM 0 HA ASP A 57 6.209 0.163 -20.638 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.531 2.691 -20.816 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.217 2.565 -20.355 1.00 0.00 H new ATOM 924 N GLN A 58 5.314 1.114 -18.262 1.00 0.00 N ATOM 925 CA GLN A 58 4.835 1.073 -16.885 1.00 0.00 C ATOM 926 C GLN A 58 4.050 2.334 -16.543 1.00 0.00 C ATOM 927 O GLN A 58 4.316 3.409 -17.083 1.00 0.00 O ATOM 928 CB GLN A 58 6.010 0.912 -15.919 1.00 0.00 C ATOM 929 CG GLN A 58 6.835 2.178 -15.748 1.00 0.00 C ATOM 930 CD GLN A 58 6.334 3.052 -14.615 1.00 0.00 C ATOM 931 OE1 GLN A 58 5.788 2.557 -13.629 1.00 0.00 O ATOM 932 NE2 GLN A 58 6.519 4.360 -14.749 1.00 0.00 N ATOM 0 H GLN A 58 6.202 1.601 -18.386 1.00 0.00 H new ATOM 0 HA GLN A 58 4.170 0.215 -16.784 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.630 0.602 -14.946 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.658 0.112 -16.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.874 1.907 -15.561 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.816 2.748 -16.677 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.976 4.728 -15.583 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.204 4.997 -14.018 1.00 0.00 H new ATOM 941 N PHE A 59 3.080 2.197 -15.645 1.00 0.00 N ATOM 942 CA PHE A 59 2.254 3.326 -15.233 1.00 0.00 C ATOM 943 C PHE A 59 1.345 2.938 -14.070 1.00 0.00 C ATOM 944 O PHE A 59 0.783 1.844 -14.048 1.00 0.00 O ATOM 945 CB PHE A 59 1.413 3.826 -16.409 1.00 0.00 C ATOM 946 CG PHE A 59 0.978 5.257 -16.269 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.902 6.286 -16.348 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.355 5.573 -16.059 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.505 7.604 -16.219 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.758 6.888 -15.929 1.00 0.00 C ATOM 951 CZ PHE A 59 0.173 7.905 -16.011 1.00 0.00 C ATOM 0 H PHE A 59 2.847 1.315 -15.189 1.00 0.00 H new ATOM 0 HA PHE A 59 2.915 4.127 -14.903 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.988 3.718 -17.329 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.530 3.194 -16.509 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.944 6.056 -16.512 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.087 4.782 -15.996 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.235 8.397 -16.281 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.800 7.120 -15.763 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.140 8.934 -15.913 1.00 0.00 H new ATOM 961 N GLN A 60 1.207 3.844 -13.108 1.00 0.00 N ATOM 962 CA GLN A 60 0.367 3.597 -11.941 1.00 0.00 C ATOM 963 C GLN A 60 -1.085 3.964 -12.229 1.00 0.00 C ATOM 964 O GLN A 60 -1.362 4.929 -12.942 1.00 0.00 O ATOM 965 CB GLN A 60 0.878 4.394 -10.740 1.00 0.00 C ATOM 966 CG GLN A 60 0.809 5.900 -10.934 1.00 0.00 C ATOM 967 CD GLN A 60 1.040 6.666 -9.647 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.068 7.323 -9.478 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.083 6.585 -8.730 1.00 0.00 N ATOM 0 H GLN A 60 1.665 4.755 -13.113 1.00 0.00 H new ATOM 0 HA GLN A 60 0.415 2.533 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.295 4.123 -9.860 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.911 4.109 -10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.554 6.202 -11.670 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.167 6.166 -11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.752 6.029 -8.912 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.183 7.079 -7.843 1.00 0.00 H new ATOM 978 N ILE A 61 -2.008 3.188 -11.670 1.00 0.00 N ATOM 979 CA ILE A 61 -3.432 3.433 -11.866 1.00 0.00 C ATOM 980 C ILE A 61 -3.959 4.448 -10.858 1.00 0.00 C ATOM 981 O ILE A 61 -4.541 5.465 -11.233 1.00 0.00 O ATOM 982 CB ILE A 61 -4.248 2.133 -11.744 1.00 0.00 C ATOM 983 CG1 ILE A 61 -3.633 1.034 -12.614 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.697 2.378 -12.137 1.00 0.00 C ATOM 985 CD1 ILE A 61 -3.673 1.343 -14.094 1.00 0.00 C ATOM 0 H ILE A 61 -1.795 2.385 -11.078 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.548 3.832 -12.874 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.224 1.804 -10.705 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.597 0.879 -12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.162 0.099 -12.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.261 1.450 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.130 3.132 -11.479 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.740 2.728 -13.168 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.221 0.522 -14.650 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.708 1.469 -14.412 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.119 2.261 -14.289 1.00 0.00 H new ATOM 997 N ASN A 62 -3.749 4.165 -9.576 1.00 0.00 N ATOM 998 CA ASN A 62 -4.202 5.054 -8.513 1.00 0.00 C ATOM 999 C ASN A 62 -3.477 4.752 -7.205 1.00 0.00 C ATOM 1000 O ASN A 62 -2.632 3.859 -7.144 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.713 4.918 -8.315 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.503 5.803 -9.260 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -7.073 5.329 -10.242 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -6.538 7.098 -8.966 1.00 0.00 N ATOM 0 H ASN A 62 -3.268 3.327 -9.249 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.972 6.078 -8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.004 3.879 -8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.966 5.173 -7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.053 7.743 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.050 7.447 -8.141 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.815 5.502 -6.161 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.198 5.313 -4.854 1.00 0.00 C ATOM 1013 C ALA A 63 -4.054 4.413 -3.968 1.00 0.00 C ATOM 1014 O ALA A 63 -3.548 3.766 -3.052 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.970 6.657 -4.179 1.00 0.00 C ATOM 0 H ALA A 63 -4.512 6.246 -6.195 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.235 4.824 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.509 6.501 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.313 7.268 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.925 7.167 -4.051 1.00 0.00 H new ATOM 1021 N SER A 64 -5.353 4.378 -4.248 1.00 0.00 N ATOM 1022 CA SER A 64 -6.280 3.561 -3.473 1.00 0.00 C ATOM 1023 C SER A 64 -6.313 2.129 -4.001 1.00 0.00 C ATOM 1024 O SER A 64 -6.493 1.180 -3.240 1.00 0.00 O ATOM 1025 CB SER A 64 -7.684 4.165 -3.516 1.00 0.00 C ATOM 1026 OG SER A 64 -8.611 3.353 -2.816 1.00 0.00 O ATOM 0 H SER A 64 -5.787 4.906 -5.005 1.00 0.00 H new ATOM 0 HA SER A 64 -5.933 3.541 -2.440 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.667 5.163 -3.078 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.004 4.277 -4.552 1.00 0.00 H new ATOM 0 HG SER A 64 -9.501 3.762 -2.857 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.140 1.984 -5.311 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.148 0.670 -5.941 1.00 0.00 C ATOM 1034 C ALA A 65 -4.732 0.126 -6.095 1.00 0.00 C ATOM 1035 O ALA A 65 -3.760 0.880 -6.057 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.839 0.739 -7.295 1.00 0.00 C ATOM 0 H ALA A 65 -5.993 2.760 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.702 -0.012 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.838 -0.249 -7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.867 1.076 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.308 1.439 -7.939 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.623 -1.187 -6.269 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.326 -1.831 -6.429 1.00 0.00 C ATOM 1044 C ALA A 66 -2.507 -1.152 -7.522 1.00 0.00 C ATOM 1045 O ALA A 66 -3.050 -0.722 -8.539 1.00 0.00 O ATOM 1046 CB ALA A 66 -3.506 -3.309 -6.744 1.00 0.00 C ATOM 0 H ALA A 66 -5.418 -1.825 -6.303 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.782 -1.734 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.529 -3.778 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.045 -3.792 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.073 -3.418 -7.668 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.199 -1.059 -7.304 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.307 -0.430 -8.270 1.00 0.00 C ATOM 1054 C GLN A 67 0.403 -1.480 -9.119 1.00 0.00 C ATOM 1055 O GLN A 67 1.009 -2.413 -8.592 1.00 0.00 O ATOM 1056 CB GLN A 67 0.724 0.443 -7.552 1.00 0.00 C ATOM 1057 CG GLN A 67 1.330 1.521 -8.436 1.00 0.00 C ATOM 1058 CD GLN A 67 1.763 2.744 -7.652 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.296 2.978 -6.537 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.660 3.532 -8.232 1.00 0.00 N ATOM 0 H GLN A 67 -0.734 -1.411 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.909 0.197 -8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.251 0.915 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.522 -0.193 -7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.190 1.110 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.602 1.817 -9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.020 3.300 -9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.989 4.370 -7.752 1.00 0.00 H new ATOM 1069 N ILE A 68 0.322 -1.322 -10.436 1.00 0.00 N ATOM 1070 CA ILE A 68 0.956 -2.256 -11.358 1.00 0.00 C ATOM 1071 C ILE A 68 2.190 -1.636 -12.006 1.00 0.00 C ATOM 1072 O ILE A 68 2.271 -0.418 -12.170 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.018 -2.707 -12.462 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.373 -3.078 -11.856 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.563 -3.883 -13.233 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.287 -4.155 -10.797 1.00 0.00 C ATOM 0 H ILE A 68 -0.177 -0.556 -10.888 1.00 0.00 H new ATOM 0 HA ILE A 68 1.254 -3.125 -10.771 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.165 -1.880 -13.156 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.823 -2.186 -11.420 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.038 -3.414 -12.652 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.137 -4.190 -14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.507 -3.587 -13.691 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.736 -4.715 -12.551 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.284 -4.367 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.866 -5.061 -11.233 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.648 -3.814 -9.982 1.00 0.00 H new ATOM 1088 N ILE A 69 3.146 -2.482 -12.374 1.00 0.00 N ATOM 1089 CA ILE A 69 4.374 -2.017 -13.007 1.00 0.00 C ATOM 1090 C ILE A 69 4.843 -2.994 -14.079 1.00 0.00 C ATOM 1091 O ILE A 69 4.704 -4.209 -13.932 1.00 0.00 O ATOM 1092 CB ILE A 69 5.501 -1.824 -11.975 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.079 -0.811 -10.909 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.780 -1.373 -12.666 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.313 -1.428 -9.759 1.00 0.00 C ATOM 0 H ILE A 69 3.094 -3.492 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 69 4.147 -1.056 -13.469 1.00 0.00 H new ATOM 0 HB ILE A 69 5.693 -2.779 -11.485 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.968 -0.315 -10.519 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.463 -0.041 -11.374 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.567 -1.241 -11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.087 -2.127 -13.391 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.603 -0.428 -13.179 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.046 -0.652 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.406 -1.900 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.934 -2.177 -9.269 1.00 0.00 H new ATOM 1107 N VAL A 70 5.402 -2.456 -15.159 1.00 0.00 N ATOM 1108 CA VAL A 70 5.895 -3.280 -16.256 1.00 0.00 C ATOM 1109 C VAL A 70 7.414 -3.200 -16.364 1.00 0.00 C ATOM 1110 O VAL A 70 7.961 -2.221 -16.874 1.00 0.00 O ATOM 1111 CB VAL A 70 5.273 -2.857 -17.600 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.812 -3.717 -18.732 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.755 -2.940 -17.533 1.00 0.00 C ATOM 0 H VAL A 70 5.525 -1.453 -15.297 1.00 0.00 H new ATOM 0 HA VAL A 70 5.603 -4.307 -16.036 1.00 0.00 H new ATOM 0 HB VAL A 70 5.550 -1.822 -17.799 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.361 -3.403 -19.674 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.894 -3.603 -18.792 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.567 -4.762 -18.543 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.331 -2.638 -18.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.456 -3.964 -17.311 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.389 -2.277 -16.749 1.00 0.00 H new ATOM 1123 N THR A 71 8.092 -4.236 -15.881 1.00 0.00 N ATOM 1124 CA THR A 71 9.548 -4.283 -15.922 1.00 0.00 C ATOM 1125 C THR A 71 10.036 -5.356 -16.888 1.00 0.00 C ATOM 1126 O THR A 71 10.474 -6.429 -16.470 1.00 0.00 O ATOM 1127 CB THR A 71 10.141 -4.556 -14.527 1.00 0.00 C ATOM 1128 OG1 THR A 71 11.541 -4.838 -14.636 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.434 -5.725 -13.858 1.00 0.00 C ATOM 0 H THR A 71 7.656 -5.054 -15.457 1.00 0.00 H new ATOM 0 HA THR A 71 9.886 -3.306 -16.267 1.00 0.00 H new ATOM 0 HB THR A 71 9.997 -3.666 -13.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.669 -5.674 -15.131 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.870 -5.899 -12.874 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.374 -5.495 -13.750 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.551 -6.619 -14.470 1.00 0.00 H new ATOM 1137 N ASP A 72 9.959 -5.061 -18.181 1.00 0.00 N ATOM 1138 CA ASP A 72 10.395 -6.001 -19.207 1.00 0.00 C ATOM 1139 C ASP A 72 9.572 -7.284 -19.155 1.00 0.00 C ATOM 1140 O ASP A 72 9.815 -8.221 -19.916 1.00 0.00 O ATOM 1141 CB ASP A 72 11.880 -6.325 -19.034 1.00 0.00 C ATOM 1142 CG ASP A 72 12.741 -5.079 -18.972 1.00 0.00 C ATOM 1143 OD1 ASP A 72 12.239 -3.992 -19.325 1.00 0.00 O ATOM 1144 OD2 ASP A 72 13.918 -5.191 -18.569 1.00 0.00 O ATOM 0 H ASP A 72 9.599 -4.178 -18.544 1.00 0.00 H new ATOM 0 HA ASP A 72 10.244 -5.534 -20.180 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.018 -6.905 -18.121 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.211 -6.951 -19.862 1.00 0.00 H new TER 1149 ASP A 72