USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 569 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 62 ASN : amide:sc= 0.403 K(o=0.81,f=-2!) USER MOD Set 1.2: A 64 SER OG : rot 73:sc= 0.407 USER MOD Single : A 6 MET CE :methyl 158:sc= -0.0264 (180deg=-0.881) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.02) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -4! C(o=-4!,f=-3.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.4) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.63) USER MOD Single : A 71 THR OG1 : rot 47:sc= 0.481 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.890 -2.668 -3.146 1.00 0.00 N ATOM 19 CA ASP A 2 -0.004 -2.419 -4.271 1.00 0.00 C ATOM 20 C ASP A 2 0.772 -2.380 -5.583 1.00 0.00 C ATOM 21 O ASP A 2 0.871 -1.335 -6.227 1.00 0.00 O ATOM 22 CB ASP A 2 -0.757 -1.103 -4.070 1.00 0.00 C ATOM 23 CG ASP A 2 0.164 0.037 -3.682 1.00 0.00 C ATOM 24 OD1 ASP A 2 0.590 0.083 -2.510 1.00 0.00 O ATOM 25 OD2 ASP A 2 0.457 0.885 -4.552 1.00 0.00 O ATOM 0 HA ASP A 2 -0.723 -3.236 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.283 -0.845 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.513 -1.235 -3.296 1.00 0.00 H new ATOM 30 N ARG A 3 1.322 -3.525 -5.974 1.00 0.00 N ATOM 31 CA ARG A 3 2.092 -3.621 -7.209 1.00 0.00 C ATOM 32 C ARG A 3 1.952 -5.007 -7.831 1.00 0.00 C ATOM 33 O ARG A 3 1.937 -6.016 -7.125 1.00 0.00 O ATOM 34 CB ARG A 3 3.567 -3.318 -6.940 1.00 0.00 C ATOM 35 CG ARG A 3 3.822 -1.893 -6.476 1.00 0.00 C ATOM 36 CD ARG A 3 5.309 -1.584 -6.416 1.00 0.00 C ATOM 37 NE ARG A 3 5.579 -0.319 -5.738 1.00 0.00 N ATOM 38 CZ ARG A 3 6.756 0.296 -5.768 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.767 -0.236 -6.441 1.00 0.00 N ATOM 40 NH2 ARG A 3 6.923 1.444 -5.126 1.00 0.00 N ATOM 0 H ARG A 3 1.249 -4.399 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 3 1.699 -2.885 -7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.939 -4.009 -6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.139 -3.503 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.331 -1.195 -7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.379 -1.745 -5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.826 -2.391 -5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.712 -1.546 -7.428 1.00 0.00 H new ATOM 0 HE ARG A 3 4.821 0.117 -5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.641 -1.119 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.670 0.237 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.147 1.856 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.827 1.915 -5.150 1.00 0.00 H new ATOM 54 N ILE A 4 1.848 -5.048 -9.155 1.00 0.00 N ATOM 55 CA ILE A 4 1.710 -6.310 -9.871 1.00 0.00 C ATOM 56 C ILE A 4 2.678 -6.384 -11.046 1.00 0.00 C ATOM 57 O ILE A 4 2.503 -5.699 -12.054 1.00 0.00 O ATOM 58 CB ILE A 4 0.274 -6.508 -10.390 1.00 0.00 C ATOM 59 CG1 ILE A 4 -0.721 -6.481 -9.228 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.164 -7.816 -11.158 1.00 0.00 C ATOM 61 CD1 ILE A 4 -2.165 -6.393 -9.670 1.00 0.00 C ATOM 0 H ILE A 4 1.857 -4.222 -9.753 1.00 0.00 H new ATOM 0 HA ILE A 4 1.944 -7.103 -9.161 1.00 0.00 H new ATOM 0 HB ILE A 4 0.033 -5.689 -11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.588 -7.380 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.494 -5.630 -8.586 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.857 -7.942 -11.518 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.849 -7.799 -12.006 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.421 -8.647 -10.501 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.813 -6.378 -8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.314 -5.480 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.410 -7.257 -10.288 1.00 0.00 H new ATOM 73 N PHE A 5 3.701 -7.222 -10.911 1.00 0.00 N ATOM 74 CA PHE A 5 4.698 -7.388 -11.963 1.00 0.00 C ATOM 75 C PHE A 5 4.229 -8.402 -13.002 1.00 0.00 C ATOM 76 O PHE A 5 3.828 -9.515 -12.661 1.00 0.00 O ATOM 77 CB PHE A 5 6.033 -7.834 -11.363 1.00 0.00 C ATOM 78 CG PHE A 5 6.549 -6.911 -10.296 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.976 -5.632 -10.615 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.607 -7.323 -8.975 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.452 -4.782 -9.635 1.00 0.00 C ATOM 82 CE2 PHE A 5 7.081 -6.476 -7.990 1.00 0.00 C ATOM 83 CZ PHE A 5 7.504 -5.204 -8.321 1.00 0.00 C ATOM 0 H PHE A 5 3.861 -7.797 -10.084 1.00 0.00 H new ATOM 0 HA PHE A 5 4.833 -6.426 -12.457 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.918 -8.833 -10.943 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.774 -7.906 -12.159 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.936 -5.296 -11.641 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.278 -8.317 -8.711 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.783 -3.788 -9.897 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.120 -6.809 -6.963 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.875 -4.540 -7.554 1.00 0.00 H new ATOM 93 N MET A 6 4.284 -8.010 -14.270 1.00 0.00 N ATOM 94 CA MET A 6 3.866 -8.885 -15.359 1.00 0.00 C ATOM 95 C MET A 6 4.693 -8.624 -16.614 1.00 0.00 C ATOM 96 O MET A 6 5.079 -7.488 -16.891 1.00 0.00 O ATOM 97 CB MET A 6 2.380 -8.684 -15.662 1.00 0.00 C ATOM 98 CG MET A 6 1.462 -9.502 -14.770 1.00 0.00 C ATOM 99 SD MET A 6 -0.266 -9.002 -14.907 1.00 0.00 S ATOM 100 CE MET A 6 -1.035 -10.120 -13.737 1.00 0.00 C ATOM 0 H MET A 6 4.614 -7.092 -14.569 1.00 0.00 H new ATOM 0 HA MET A 6 4.029 -9.916 -15.046 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.135 -7.628 -15.551 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.191 -8.947 -16.703 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.553 -10.556 -15.031 1.00 0.00 H new ATOM 0 HG3 MET A 6 1.784 -9.401 -13.734 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.989 -9.706 -13.412 1.00 0.00 H new ATOM 0 HE2 MET A 6 -1.202 -11.086 -14.213 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.382 -10.249 -12.874 1.00 0.00 H new ATOM 110 N THR A 7 4.963 -9.684 -17.371 1.00 0.00 N ATOM 111 CA THR A 7 5.746 -9.569 -18.595 1.00 0.00 C ATOM 112 C THR A 7 4.899 -9.025 -19.740 1.00 0.00 C ATOM 113 O THR A 7 3.720 -8.719 -19.561 1.00 0.00 O ATOM 114 CB THR A 7 6.339 -10.928 -19.011 1.00 0.00 C ATOM 115 OG1 THR A 7 5.287 -11.843 -19.338 1.00 0.00 O ATOM 116 CG2 THR A 7 7.195 -11.510 -17.896 1.00 0.00 C ATOM 0 H THR A 7 4.651 -10.631 -17.157 1.00 0.00 H new ATOM 0 HA THR A 7 6.559 -8.874 -18.386 1.00 0.00 H new ATOM 0 HB THR A 7 6.969 -10.771 -19.887 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.673 -12.704 -19.603 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.603 -12.470 -18.213 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.012 -10.825 -17.670 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.584 -11.652 -17.005 1.00 0.00 H new ATOM 124 N ARG A 8 5.507 -8.908 -20.916 1.00 0.00 N ATOM 125 CA ARG A 8 4.808 -8.400 -22.090 1.00 0.00 C ATOM 126 C ARG A 8 3.510 -9.166 -22.323 1.00 0.00 C ATOM 127 O ARG A 8 2.458 -8.571 -22.560 1.00 0.00 O ATOM 128 CB ARG A 8 5.703 -8.503 -23.326 1.00 0.00 C ATOM 129 CG ARG A 8 7.007 -7.732 -23.201 1.00 0.00 C ATOM 130 CD ARG A 8 7.934 -8.009 -24.374 1.00 0.00 C ATOM 131 NE ARG A 8 9.321 -7.670 -24.068 1.00 0.00 N ATOM 132 CZ ARG A 8 10.307 -7.740 -24.955 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.060 -8.134 -26.197 1.00 0.00 N ATOM 134 NH2 ARG A 8 11.544 -7.414 -24.601 1.00 0.00 N ATOM 0 H ARG A 8 6.482 -9.158 -21.081 1.00 0.00 H new ATOM 0 HA ARG A 8 4.564 -7.353 -21.913 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.928 -9.553 -23.514 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.155 -8.134 -24.193 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.796 -6.664 -23.148 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.505 -8.005 -22.271 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.870 -9.063 -24.646 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.604 -7.436 -25.240 1.00 0.00 H new ATOM 0 HE ARG A 8 9.545 -7.363 -23.121 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.111 -8.384 -26.473 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.819 -8.187 -26.876 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.738 -7.109 -23.647 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.301 -7.468 -25.283 1.00 0.00 H new ATOM 148 N THR A 9 3.590 -10.492 -22.256 1.00 0.00 N ATOM 149 CA THR A 9 2.423 -11.340 -22.462 1.00 0.00 C ATOM 150 C THR A 9 1.460 -11.244 -21.284 1.00 0.00 C ATOM 151 O THR A 9 0.257 -11.061 -21.468 1.00 0.00 O ATOM 152 CB THR A 9 2.827 -12.813 -22.662 1.00 0.00 C ATOM 153 OG1 THR A 9 4.040 -12.889 -23.419 1.00 0.00 O ATOM 154 CG2 THR A 9 1.727 -13.583 -23.377 1.00 0.00 C ATOM 0 H THR A 9 4.452 -11.001 -22.060 1.00 0.00 H new ATOM 0 HA THR A 9 1.927 -10.982 -23.364 1.00 0.00 H new ATOM 0 HB THR A 9 2.983 -13.261 -21.681 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.291 -13.828 -23.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.035 -14.621 -23.507 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.813 -13.547 -22.784 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.544 -13.134 -24.353 1.00 0.00 H new ATOM 162 N GLU A 10 1.997 -11.370 -20.074 1.00 0.00 N ATOM 163 CA GLU A 10 1.183 -11.298 -18.867 1.00 0.00 C ATOM 164 C GLU A 10 0.478 -9.948 -18.765 1.00 0.00 C ATOM 165 O GLU A 10 -0.514 -9.806 -18.051 1.00 0.00 O ATOM 166 CB GLU A 10 2.049 -11.528 -17.627 1.00 0.00 C ATOM 167 CG GLU A 10 2.861 -12.811 -17.681 1.00 0.00 C ATOM 168 CD GLU A 10 2.026 -14.043 -17.389 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.256 -14.017 -16.406 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.143 -15.032 -18.142 1.00 0.00 O ATOM 0 H GLU A 10 2.991 -11.522 -19.904 1.00 0.00 H new ATOM 0 HA GLU A 10 0.426 -12.080 -18.923 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.727 -10.683 -17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.408 -11.550 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.313 -12.909 -18.668 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.677 -12.751 -16.961 1.00 0.00 H new ATOM 177 N ALA A 11 1.000 -8.960 -19.484 1.00 0.00 N ATOM 178 CA ALA A 11 0.421 -7.622 -19.477 1.00 0.00 C ATOM 179 C ALA A 11 -1.078 -7.671 -19.751 1.00 0.00 C ATOM 180 O ALA A 11 -1.834 -6.820 -19.281 1.00 0.00 O ATOM 181 CB ALA A 11 1.119 -6.739 -20.501 1.00 0.00 C ATOM 0 H ALA A 11 1.823 -9.061 -20.079 1.00 0.00 H new ATOM 0 HA ALA A 11 0.568 -7.195 -18.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.676 -5.743 -20.485 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.179 -6.669 -20.258 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.002 -7.172 -21.495 1.00 0.00 H new ATOM 187 N LEU A 12 -1.502 -8.671 -20.517 1.00 0.00 N ATOM 188 CA LEU A 12 -2.912 -8.830 -20.855 1.00 0.00 C ATOM 189 C LEU A 12 -3.780 -8.793 -19.602 1.00 0.00 C ATOM 190 O LEU A 12 -4.848 -8.182 -19.593 1.00 0.00 O ATOM 191 CB LEU A 12 -3.132 -10.147 -21.602 1.00 0.00 C ATOM 192 CG LEU A 12 -2.833 -11.423 -20.815 1.00 0.00 C ATOM 193 CD1 LEU A 12 -4.091 -11.934 -20.130 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.251 -12.490 -21.731 1.00 0.00 C ATOM 0 H LEU A 12 -0.890 -9.383 -20.915 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.201 -8.000 -21.500 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.169 -10.184 -21.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.510 -10.142 -22.497 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.095 -11.190 -20.047 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.859 -12.843 -19.575 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.465 -11.175 -19.444 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.851 -12.151 -20.880 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.044 -13.391 -21.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.966 -12.721 -22.521 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.326 -12.123 -22.175 1.00 0.00 H new ATOM 206 N GLU A 13 -3.313 -9.449 -18.544 1.00 0.00 N ATOM 207 CA GLU A 13 -4.047 -9.489 -17.285 1.00 0.00 C ATOM 208 C GLU A 13 -4.306 -8.079 -16.761 1.00 0.00 C ATOM 209 O GLU A 13 -5.391 -7.780 -16.261 1.00 0.00 O ATOM 210 CB GLU A 13 -3.272 -10.298 -16.242 1.00 0.00 C ATOM 211 CG GLU A 13 -3.685 -11.758 -16.176 1.00 0.00 C ATOM 212 CD GLU A 13 -4.810 -12.002 -15.189 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.791 -11.385 -14.104 1.00 0.00 O ATOM 214 OE2 GLU A 13 -5.710 -12.810 -15.502 1.00 0.00 O ATOM 0 H GLU A 13 -2.430 -9.960 -18.534 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.007 -9.972 -17.469 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.207 -10.240 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.416 -9.844 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.998 -12.088 -17.167 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.823 -12.363 -15.896 1.00 0.00 H new ATOM 221 N PHE A 14 -3.302 -7.217 -16.879 1.00 0.00 N ATOM 222 CA PHE A 14 -3.419 -5.839 -16.417 1.00 0.00 C ATOM 223 C PHE A 14 -4.385 -5.050 -17.297 1.00 0.00 C ATOM 224 O PHE A 14 -5.267 -4.349 -16.797 1.00 0.00 O ATOM 225 CB PHE A 14 -2.047 -5.161 -16.412 1.00 0.00 C ATOM 226 CG PHE A 14 -2.110 -3.682 -16.162 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.915 -3.169 -15.158 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.364 -2.803 -16.932 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.975 -1.808 -14.927 1.00 0.00 C ATOM 230 CE2 PHE A 14 -1.420 -1.441 -16.705 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.226 -0.943 -15.700 1.00 0.00 C ATOM 0 H PHE A 14 -2.398 -7.448 -17.291 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.812 -5.856 -15.400 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.424 -5.624 -15.647 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.559 -5.339 -17.370 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.502 -3.840 -14.549 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.732 -3.187 -17.719 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.608 -1.421 -14.142 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.834 -0.767 -17.313 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.270 0.121 -15.519 1.00 0.00 H new ATOM 241 N LEU A 15 -4.213 -5.169 -18.608 1.00 0.00 N ATOM 242 CA LEU A 15 -5.068 -4.468 -19.559 1.00 0.00 C ATOM 243 C LEU A 15 -6.539 -4.782 -19.304 1.00 0.00 C ATOM 244 O LEU A 15 -7.389 -3.891 -19.328 1.00 0.00 O ATOM 245 CB LEU A 15 -4.694 -4.852 -20.992 1.00 0.00 C ATOM 246 CG LEU A 15 -3.233 -4.631 -21.386 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.817 -5.617 -22.467 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.019 -3.200 -21.857 1.00 0.00 C ATOM 0 H LEU A 15 -3.489 -5.745 -19.037 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.916 -3.397 -19.425 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.934 -5.905 -21.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.324 -4.283 -21.676 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.610 -4.801 -20.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.775 -5.445 -22.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.933 -6.635 -22.095 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.445 -5.479 -23.347 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.974 -3.060 -22.133 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.652 -3.003 -22.722 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.277 -2.510 -21.054 1.00 0.00 H new ATOM 260 N LEU A 16 -6.832 -6.054 -19.057 1.00 0.00 N ATOM 261 CA LEU A 16 -8.200 -6.487 -18.794 1.00 0.00 C ATOM 262 C LEU A 16 -8.596 -6.195 -17.350 1.00 0.00 C ATOM 263 O LEU A 16 -9.772 -5.995 -17.045 1.00 0.00 O ATOM 264 CB LEU A 16 -8.348 -7.982 -19.084 1.00 0.00 C ATOM 265 CG LEU A 16 -8.891 -8.348 -20.465 1.00 0.00 C ATOM 266 CD1 LEU A 16 -7.787 -8.275 -21.509 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.515 -9.735 -20.443 1.00 0.00 C ATOM 0 H LEU A 16 -6.141 -6.804 -19.033 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.864 -5.928 -19.453 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.373 -8.453 -18.963 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.007 -8.414 -18.331 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.664 -7.628 -20.732 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.192 -8.539 -22.486 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.386 -7.262 -21.544 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.991 -8.972 -21.246 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.896 -9.978 -21.435 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.762 -10.468 -20.154 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.335 -9.754 -19.725 1.00 0.00 H new ATOM 279 N LYS A 17 -7.606 -6.170 -16.465 1.00 0.00 N ATOM 280 CA LYS A 17 -7.848 -5.899 -15.053 1.00 0.00 C ATOM 281 C LYS A 17 -8.432 -4.503 -14.859 1.00 0.00 C ATOM 282 O LYS A 17 -9.469 -4.338 -14.217 1.00 0.00 O ATOM 283 CB LYS A 17 -6.549 -6.035 -14.256 1.00 0.00 C ATOM 284 CG LYS A 17 -6.663 -5.555 -12.819 1.00 0.00 C ATOM 285 CD LYS A 17 -5.365 -5.763 -12.057 1.00 0.00 C ATOM 286 CE LYS A 17 -5.354 -7.100 -11.332 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.960 -7.001 -9.975 1.00 0.00 N ATOM 0 H LYS A 17 -6.627 -6.334 -16.701 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.569 -6.630 -14.687 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.240 -7.080 -14.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.764 -5.469 -14.758 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.927 -4.498 -12.808 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.470 -6.091 -12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.524 -5.716 -12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.231 -4.956 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.901 -7.837 -11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.328 -7.458 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.933 -7.933 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.423 -6.317 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.947 -6.684 -10.058 1.00 0.00 H new ATOM 301 N ALA A 18 -7.760 -3.503 -15.419 1.00 0.00 N ATOM 302 CA ALA A 18 -8.215 -2.122 -15.311 1.00 0.00 C ATOM 303 C ALA A 18 -9.562 -1.932 -15.999 1.00 0.00 C ATOM 304 O ALA A 18 -10.417 -1.187 -15.519 1.00 0.00 O ATOM 305 CB ALA A 18 -7.180 -1.177 -15.902 1.00 0.00 C ATOM 0 H ALA A 18 -6.899 -3.623 -15.952 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.341 -1.889 -14.254 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.533 -0.150 -15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.239 -1.284 -15.362 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.025 -1.419 -16.953 1.00 0.00 H new ATOM 311 N HIS A 19 -9.746 -2.610 -17.128 1.00 0.00 N ATOM 312 CA HIS A 19 -10.990 -2.515 -17.883 1.00 0.00 C ATOM 313 C HIS A 19 -12.182 -2.915 -17.018 1.00 0.00 C ATOM 314 O HIS A 19 -13.195 -2.218 -16.981 1.00 0.00 O ATOM 315 CB HIS A 19 -10.926 -3.404 -19.126 1.00 0.00 C ATOM 316 CG HIS A 19 -11.865 -2.980 -20.213 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.296 -3.832 -21.208 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.456 -1.788 -20.458 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.112 -3.181 -22.019 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.226 -1.938 -21.585 1.00 0.00 N ATOM 0 H HIS A 19 -9.049 -3.231 -17.540 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.120 -1.478 -18.193 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.908 -3.399 -19.514 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.153 -4.431 -18.840 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.343 -0.886 -19.875 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.602 -3.594 -22.888 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.794 -1.209 -22.017 1.00 0.00 H new ATOM 328 N GLN A 20 -12.053 -4.043 -16.326 1.00 0.00 N ATOM 329 CA GLN A 20 -13.120 -4.535 -15.463 1.00 0.00 C ATOM 330 C GLN A 20 -13.570 -3.457 -14.484 1.00 0.00 C ATOM 331 O GLN A 20 -14.744 -3.386 -14.117 1.00 0.00 O ATOM 332 CB GLN A 20 -12.655 -5.775 -14.697 1.00 0.00 C ATOM 333 CG GLN A 20 -12.790 -7.066 -15.488 1.00 0.00 C ATOM 334 CD GLN A 20 -12.554 -8.299 -14.638 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.611 -8.351 -13.848 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.412 -9.300 -14.796 1.00 0.00 N ATOM 0 H GLN A 20 -11.221 -4.633 -16.346 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.968 -4.803 -16.094 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.612 -5.643 -14.408 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.232 -5.861 -13.777 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.787 -7.117 -15.926 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.079 -7.057 -16.314 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.179 -9.214 -15.462 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.304 -10.155 -14.251 1.00 0.00 H new ATOM 345 N THR A 21 -12.629 -2.617 -14.062 1.00 0.00 N ATOM 346 CA THR A 21 -12.928 -1.543 -13.124 1.00 0.00 C ATOM 347 C THR A 21 -13.455 -0.310 -13.849 1.00 0.00 C ATOM 348 O THR A 21 -14.252 0.451 -13.301 1.00 0.00 O ATOM 349 CB THR A 21 -11.684 -1.150 -12.305 1.00 0.00 C ATOM 350 OG1 THR A 21 -10.903 -2.314 -12.011 1.00 0.00 O ATOM 351 CG2 THR A 21 -12.085 -0.462 -11.008 1.00 0.00 C ATOM 0 H THR A 21 -11.653 -2.661 -14.356 1.00 0.00 H new ATOM 0 HA THR A 21 -13.696 -1.919 -12.448 1.00 0.00 H new ATOM 0 HB THR A 21 -11.090 -0.455 -12.899 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.113 -2.055 -11.492 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.190 -0.194 -10.447 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.655 0.439 -11.235 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.698 -1.138 -10.412 1.00 0.00 H new ATOM 359 N ALA A 22 -13.005 -0.119 -15.085 1.00 0.00 N ATOM 360 CA ALA A 22 -13.434 1.021 -15.886 1.00 0.00 C ATOM 361 C ALA A 22 -14.882 0.862 -16.336 1.00 0.00 C ATOM 362 O ALA A 22 -15.613 1.843 -16.470 1.00 0.00 O ATOM 363 CB ALA A 22 -12.521 1.192 -17.091 1.00 0.00 C ATOM 0 H ALA A 22 -12.344 -0.739 -15.553 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.370 1.915 -15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.853 2.047 -17.680 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.499 1.360 -16.752 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.557 0.292 -17.705 1.00 0.00 H new ATOM 369 N VAL A 23 -15.292 -0.382 -16.568 1.00 0.00 N ATOM 370 CA VAL A 23 -16.653 -0.669 -17.003 1.00 0.00 C ATOM 371 C VAL A 23 -17.657 -0.385 -15.891 1.00 0.00 C ATOM 372 O VAL A 23 -18.719 0.190 -16.131 1.00 0.00 O ATOM 373 CB VAL A 23 -16.802 -2.136 -17.450 1.00 0.00 C ATOM 374 CG1 VAL A 23 -18.224 -2.411 -17.915 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.801 -2.461 -18.549 1.00 0.00 C ATOM 0 H VAL A 23 -14.701 -1.206 -16.462 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.858 -0.015 -17.851 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.593 -2.781 -16.597 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.310 -3.452 -18.227 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.918 -2.219 -17.097 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.464 -1.760 -18.755 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.920 -3.501 -18.853 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.977 -1.810 -19.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.788 -2.305 -18.177 1.00 0.00 H new ATOM 385 N ASP A 24 -17.314 -0.791 -14.674 1.00 0.00 N ATOM 386 CA ASP A 24 -18.184 -0.578 -13.523 1.00 0.00 C ATOM 387 C ASP A 24 -17.979 0.815 -12.937 1.00 0.00 C ATOM 388 O ASP A 24 -18.846 1.340 -12.237 1.00 0.00 O ATOM 389 CB ASP A 24 -17.919 -1.639 -12.453 1.00 0.00 C ATOM 390 CG ASP A 24 -18.830 -1.489 -11.251 1.00 0.00 C ATOM 391 OD1 ASP A 24 -20.063 -1.444 -11.443 1.00 0.00 O ATOM 392 OD2 ASP A 24 -18.310 -1.417 -10.118 1.00 0.00 O ATOM 0 H ASP A 24 -16.439 -1.270 -14.459 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.217 -0.662 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -18.055 -2.630 -12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.880 -1.572 -12.129 1.00 0.00 H new ATOM 397 N LYS A 25 -16.827 1.410 -13.226 1.00 0.00 N ATOM 398 CA LYS A 25 -16.507 2.743 -12.729 1.00 0.00 C ATOM 399 C LYS A 25 -17.600 3.739 -13.100 1.00 0.00 C ATOM 400 O LYS A 25 -17.958 4.607 -12.304 1.00 0.00 O ATOM 401 CB LYS A 25 -15.163 3.210 -13.292 1.00 0.00 C ATOM 402 CG LYS A 25 -14.030 3.164 -12.281 1.00 0.00 C ATOM 403 CD LYS A 25 -14.115 4.318 -11.296 1.00 0.00 C ATOM 404 CE LYS A 25 -13.793 5.646 -11.963 1.00 0.00 C ATOM 405 NZ LYS A 25 -13.454 6.700 -10.967 1.00 0.00 N ATOM 0 H LYS A 25 -16.098 0.990 -13.803 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.441 2.692 -11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.901 2.587 -14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.268 4.230 -13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.063 2.219 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.074 3.199 -12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -15.116 4.359 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.422 4.146 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.957 5.514 -12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.647 5.970 -12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.241 7.590 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.261 6.845 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.623 6.403 -10.416 1.00 0.00 H new ATOM 419 N ILE A 26 -18.127 3.607 -14.313 1.00 0.00 N ATOM 420 CA ILE A 26 -19.181 4.495 -14.788 1.00 0.00 C ATOM 421 C ILE A 26 -20.488 4.245 -14.042 1.00 0.00 C ATOM 422 O ILE A 26 -21.357 5.113 -13.982 1.00 0.00 O ATOM 423 CB ILE A 26 -19.425 4.323 -16.299 1.00 0.00 C ATOM 424 CG1 ILE A 26 -19.734 2.860 -16.624 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.216 4.803 -17.088 1.00 0.00 C ATOM 426 CD1 ILE A 26 -21.069 2.662 -17.306 1.00 0.00 C ATOM 0 H ILE A 26 -17.841 2.894 -14.984 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.845 5.514 -14.597 1.00 0.00 H new ATOM 0 HB ILE A 26 -20.285 4.929 -16.585 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -18.946 2.464 -17.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.717 2.280 -15.701 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.403 4.675 -18.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.037 5.857 -16.875 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.340 4.221 -16.801 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -21.221 1.601 -17.506 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -21.866 3.027 -16.658 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.083 3.214 -18.246 1.00 0.00 H new ATOM 438 N GLY A 27 -20.619 3.051 -13.472 1.00 0.00 N ATOM 439 CA GLY A 27 -21.821 2.707 -12.736 1.00 0.00 C ATOM 440 C GLY A 27 -22.691 1.712 -13.478 1.00 0.00 C ATOM 441 O GLY A 27 -23.918 1.760 -13.386 1.00 0.00 O ATOM 0 H GLY A 27 -19.913 2.315 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.544 2.291 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.395 3.613 -12.541 1.00 0.00 H new ATOM 445 N HIS A 28 -22.055 0.808 -14.217 1.00 0.00 N ATOM 446 CA HIS A 28 -22.780 -0.202 -14.979 1.00 0.00 C ATOM 447 C HIS A 28 -22.823 -1.526 -14.222 1.00 0.00 C ATOM 448 O HIS A 28 -21.984 -1.808 -13.367 1.00 0.00 O ATOM 449 CB HIS A 28 -22.127 -0.405 -16.347 1.00 0.00 C ATOM 450 CG HIS A 28 -22.959 0.095 -17.488 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.898 -0.442 -18.756 1.00 0.00 N ATOM 452 CD2 HIS A 28 -23.877 1.089 -17.545 1.00 0.00 C ATOM 453 CE1 HIS A 28 -23.741 0.200 -19.545 1.00 0.00 C ATOM 454 NE2 HIS A 28 -24.348 1.134 -18.834 1.00 0.00 N ATOM 0 H HIS A 28 -21.040 0.755 -14.304 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.802 0.149 -15.121 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.164 0.105 -16.360 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.928 -1.467 -16.491 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.182 1.727 -16.729 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.906 -0.004 -20.593 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.052 1.783 -19.186 1.00 0.00 H new ATOM 462 N PRO A 29 -23.825 -2.359 -14.542 1.00 0.00 N ATOM 463 CA PRO A 29 -24.002 -3.667 -13.904 1.00 0.00 C ATOM 464 C PRO A 29 -22.917 -4.660 -14.307 1.00 0.00 C ATOM 465 O PRO A 29 -21.933 -4.292 -14.948 1.00 0.00 O ATOM 466 CB PRO A 29 -25.368 -4.130 -14.416 1.00 0.00 C ATOM 467 CG PRO A 29 -25.548 -3.416 -15.712 1.00 0.00 C ATOM 468 CD PRO A 29 -24.862 -2.088 -15.552 1.00 0.00 C ATOM 0 HA PRO A 29 -23.939 -3.602 -12.818 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -25.394 -5.211 -14.553 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.161 -3.878 -13.712 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.112 -3.984 -16.534 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.605 -3.284 -15.941 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.428 -1.744 -16.491 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -25.555 -1.315 -15.219 1.00 0.00 H new ATOM 476 N SER A 30 -23.104 -5.920 -13.927 1.00 0.00 N ATOM 477 CA SER A 30 -22.140 -6.966 -14.246 1.00 0.00 C ATOM 478 C SER A 30 -22.802 -8.095 -15.029 1.00 0.00 C ATOM 479 O SER A 30 -22.311 -9.224 -15.048 1.00 0.00 O ATOM 480 CB SER A 30 -21.512 -7.518 -12.965 1.00 0.00 C ATOM 481 OG SER A 30 -22.485 -8.149 -12.151 1.00 0.00 O ATOM 0 H SER A 30 -23.915 -6.241 -13.398 1.00 0.00 H new ATOM 0 HA SER A 30 -21.358 -6.528 -14.866 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.728 -8.231 -13.219 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.039 -6.708 -12.410 1.00 0.00 H new ATOM 0 HG SER A 30 -22.058 -8.495 -11.339 1.00 0.00 H new ATOM 487 N HIS A 31 -23.922 -7.783 -15.674 1.00 0.00 N ATOM 488 CA HIS A 31 -24.653 -8.770 -16.459 1.00 0.00 C ATOM 489 C HIS A 31 -23.747 -9.408 -17.509 1.00 0.00 C ATOM 490 O HIS A 31 -22.639 -8.933 -17.760 1.00 0.00 O ATOM 491 CB HIS A 31 -25.860 -8.122 -17.137 1.00 0.00 C ATOM 492 CG HIS A 31 -26.960 -9.089 -17.453 1.00 0.00 C ATOM 493 ND1 HIS A 31 -27.462 -9.985 -16.533 1.00 0.00 N ATOM 494 CD2 HIS A 31 -27.656 -9.295 -18.595 1.00 0.00 C ATOM 495 CE1 HIS A 31 -28.418 -10.702 -17.096 1.00 0.00 C ATOM 496 NE2 HIS A 31 -28.556 -10.302 -18.348 1.00 0.00 N ATOM 0 H HIS A 31 -24.343 -6.854 -15.668 1.00 0.00 H new ATOM 0 HA HIS A 31 -25.002 -9.550 -15.782 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -26.252 -7.337 -16.490 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -25.534 -7.641 -18.059 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -27.527 -8.766 -19.528 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -28.989 -11.482 -16.615 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -29.223 -10.680 -19.021 1.00 0.00 H new ATOM 504 N LYS A 32 -24.226 -10.486 -18.120 1.00 0.00 N ATOM 505 CA LYS A 32 -23.461 -11.189 -19.143 1.00 0.00 C ATOM 506 C LYS A 32 -23.027 -10.234 -20.251 1.00 0.00 C ATOM 507 O LYS A 32 -23.662 -9.205 -20.479 1.00 0.00 O ATOM 508 CB LYS A 32 -24.291 -12.330 -19.736 1.00 0.00 C ATOM 509 CG LYS A 32 -24.213 -13.619 -18.935 1.00 0.00 C ATOM 510 CD LYS A 32 -22.982 -14.430 -19.304 1.00 0.00 C ATOM 511 CE LYS A 32 -22.540 -15.325 -18.156 1.00 0.00 C ATOM 512 NZ LYS A 32 -21.772 -16.506 -18.638 1.00 0.00 N ATOM 0 H LYS A 32 -25.141 -10.892 -17.924 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.569 -11.602 -18.673 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -25.332 -12.015 -19.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -23.952 -12.523 -20.754 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -24.191 -13.386 -17.870 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -25.109 -14.214 -19.113 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -23.197 -15.041 -20.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -22.169 -13.757 -19.576 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -21.925 -14.750 -17.463 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.415 -15.663 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.489 -17.091 -17.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.367 -17.069 -19.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.923 -16.184 -19.146 1.00 0.00 H new ATOM 526 N GLN A 33 -21.942 -10.583 -20.935 1.00 0.00 N ATOM 527 CA GLN A 33 -21.425 -9.756 -22.019 1.00 0.00 C ATOM 528 C GLN A 33 -22.517 -9.450 -23.039 1.00 0.00 C ATOM 529 O GLN A 33 -23.507 -10.176 -23.142 1.00 0.00 O ATOM 530 CB GLN A 33 -20.251 -10.455 -22.706 1.00 0.00 C ATOM 531 CG GLN A 33 -18.936 -10.316 -21.955 1.00 0.00 C ATOM 532 CD GLN A 33 -17.782 -10.993 -22.668 1.00 0.00 C ATOM 533 OE1 GLN A 33 -17.836 -11.229 -23.875 1.00 0.00 O ATOM 534 NE2 GLN A 33 -16.729 -11.309 -21.923 1.00 0.00 N ATOM 0 H GLN A 33 -21.405 -11.432 -20.758 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.079 -8.815 -21.591 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.485 -11.514 -22.819 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.132 -10.046 -23.709 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.707 -9.258 -21.824 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.044 -10.745 -20.959 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.727 -11.095 -20.926 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.922 -11.766 -22.348 1.00 0.00 H new ATOM 543 N THR A 34 -22.331 -8.370 -23.792 1.00 0.00 N ATOM 544 CA THR A 34 -23.301 -7.967 -24.802 1.00 0.00 C ATOM 545 C THR A 34 -22.692 -8.017 -26.199 1.00 0.00 C ATOM 546 O THR A 34 -21.473 -7.996 -26.372 1.00 0.00 O ATOM 547 CB THR A 34 -23.831 -6.545 -24.537 1.00 0.00 C ATOM 548 OG1 THR A 34 -22.824 -5.760 -23.889 1.00 0.00 O ATOM 549 CG2 THR A 34 -25.082 -6.587 -23.672 1.00 0.00 C ATOM 0 H THR A 34 -21.517 -7.759 -23.721 1.00 0.00 H new ATOM 0 HA THR A 34 -24.130 -8.672 -24.743 1.00 0.00 H new ATOM 0 HB THR A 34 -24.085 -6.091 -25.495 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.168 -4.857 -23.726 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.438 -5.572 -23.498 1.00 0.00 H new ATOM 0 HG22 THR A 34 -25.857 -7.161 -24.180 1.00 0.00 H new ATOM 0 HG23 THR A 34 -24.849 -7.058 -22.717 1.00 0.00 H new ATOM 557 N PRO A 35 -23.558 -8.084 -27.221 1.00 0.00 N ATOM 558 CA PRO A 35 -23.128 -8.137 -28.621 1.00 0.00 C ATOM 559 C PRO A 35 -22.523 -6.819 -29.092 1.00 0.00 C ATOM 560 O PRO A 35 -21.692 -6.795 -30.000 1.00 0.00 O ATOM 561 CB PRO A 35 -24.424 -8.432 -29.380 1.00 0.00 C ATOM 562 CG PRO A 35 -25.506 -7.910 -28.498 1.00 0.00 C ATOM 563 CD PRO A 35 -25.024 -8.113 -27.088 1.00 0.00 C ATOM 0 HA PRO A 35 -22.347 -8.881 -28.779 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.434 -7.940 -30.353 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.542 -9.500 -29.562 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.697 -6.856 -28.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.441 -8.442 -28.671 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.383 -7.327 -26.424 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.372 -9.061 -26.677 1.00 0.00 H new ATOM 571 N ALA A 36 -22.945 -5.723 -28.469 1.00 0.00 N ATOM 572 CA ALA A 36 -22.443 -4.402 -28.823 1.00 0.00 C ATOM 573 C ALA A 36 -20.936 -4.312 -28.609 1.00 0.00 C ATOM 574 O ALA A 36 -20.263 -3.474 -29.210 1.00 0.00 O ATOM 575 CB ALA A 36 -23.158 -3.331 -28.012 1.00 0.00 C ATOM 0 H ALA A 36 -23.634 -5.725 -27.716 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.644 -4.236 -29.881 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.773 -2.349 -28.287 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.228 -3.372 -28.218 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.986 -3.504 -26.950 1.00 0.00 H new ATOM 581 N ASP A 37 -20.412 -5.179 -27.750 1.00 0.00 N ATOM 582 CA ASP A 37 -18.984 -5.197 -27.457 1.00 0.00 C ATOM 583 C ASP A 37 -18.170 -5.397 -28.732 1.00 0.00 C ATOM 584 O ASP A 37 -17.000 -5.018 -28.800 1.00 0.00 O ATOM 585 CB ASP A 37 -18.661 -6.306 -26.453 1.00 0.00 C ATOM 586 CG ASP A 37 -17.308 -6.116 -25.797 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.234 -5.380 -24.790 1.00 0.00 O ATOM 588 OD2 ASP A 37 -16.323 -6.705 -26.288 1.00 0.00 O ATOM 0 H ASP A 37 -20.955 -5.879 -27.244 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.716 -4.234 -27.022 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.434 -6.333 -25.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -18.683 -7.270 -26.961 1.00 0.00 H new ATOM 593 N HIS A 38 -18.797 -5.995 -29.740 1.00 0.00 N ATOM 594 CA HIS A 38 -18.131 -6.245 -31.014 1.00 0.00 C ATOM 595 C HIS A 38 -17.489 -4.970 -31.551 1.00 0.00 C ATOM 596 O HIS A 38 -16.281 -4.920 -31.780 1.00 0.00 O ATOM 597 CB HIS A 38 -19.126 -6.799 -32.034 1.00 0.00 C ATOM 598 CG HIS A 38 -18.475 -7.496 -33.189 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.548 -8.859 -33.383 1.00 0.00 N ATOM 600 CD2 HIS A 38 -17.736 -7.010 -34.214 1.00 0.00 C ATOM 601 CE1 HIS A 38 -17.882 -9.182 -34.477 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.380 -8.078 -35.000 1.00 0.00 N ATOM 0 H HIS A 38 -19.765 -6.315 -29.700 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.346 -6.983 -30.847 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.798 -7.495 -31.532 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.739 -5.981 -32.413 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.475 -5.976 -34.382 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.767 -10.179 -34.876 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -16.819 -8.027 -35.850 1.00 0.00 H new ATOM 610 N ALA A 39 -18.307 -3.941 -31.752 1.00 0.00 N ATOM 611 CA ALA A 39 -17.819 -2.666 -32.261 1.00 0.00 C ATOM 612 C ALA A 39 -16.705 -2.112 -31.379 1.00 0.00 C ATOM 613 O ALA A 39 -15.812 -1.413 -31.856 1.00 0.00 O ATOM 614 CB ALA A 39 -18.962 -1.666 -32.361 1.00 0.00 C ATOM 0 H ALA A 39 -19.310 -3.966 -31.570 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.408 -2.834 -33.257 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.583 -0.718 -32.743 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.724 -2.051 -33.038 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.398 -1.512 -31.374 1.00 0.00 H new ATOM 620 N ALA A 40 -16.765 -2.429 -30.089 1.00 0.00 N ATOM 621 CA ALA A 40 -15.760 -1.964 -29.141 1.00 0.00 C ATOM 622 C ALA A 40 -14.414 -2.632 -29.396 1.00 0.00 C ATOM 623 O ALA A 40 -13.364 -2.080 -29.066 1.00 0.00 O ATOM 624 CB ALA A 40 -16.220 -2.226 -27.715 1.00 0.00 C ATOM 0 H ALA A 40 -17.499 -3.006 -29.677 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.634 -0.890 -29.279 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.460 -1.874 -27.017 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.155 -1.696 -27.531 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.375 -3.296 -27.573 1.00 0.00 H new ATOM 630 N ILE A 41 -14.451 -3.823 -29.985 1.00 0.00 N ATOM 631 CA ILE A 41 -13.233 -4.565 -30.285 1.00 0.00 C ATOM 632 C ILE A 41 -12.281 -3.737 -31.140 1.00 0.00 C ATOM 633 O ILE A 41 -11.070 -3.953 -31.124 1.00 0.00 O ATOM 634 CB ILE A 41 -13.544 -5.886 -31.013 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.472 -6.756 -30.164 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.256 -6.630 -31.333 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.937 -8.011 -30.869 1.00 0.00 C ATOM 0 H ILE A 41 -15.312 -4.294 -30.264 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.757 -4.789 -29.331 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.051 -5.657 -31.950 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.955 -7.035 -29.246 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.343 -6.168 -29.874 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.492 -7.562 -31.847 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.628 -6.011 -31.973 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.724 -6.851 -30.408 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.591 -8.579 -30.207 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.482 -7.740 -31.773 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.073 -8.620 -31.135 1.00 0.00 H new ATOM 649 N GLU A 42 -12.838 -2.787 -31.886 1.00 0.00 N ATOM 650 CA GLU A 42 -12.037 -1.926 -32.748 1.00 0.00 C ATOM 651 C GLU A 42 -10.891 -1.289 -31.967 1.00 0.00 C ATOM 652 O GLU A 42 -9.801 -1.084 -32.500 1.00 0.00 O ATOM 653 CB GLU A 42 -12.911 -0.836 -33.371 1.00 0.00 C ATOM 654 CG GLU A 42 -13.418 0.186 -32.367 1.00 0.00 C ATOM 655 CD GLU A 42 -14.645 0.928 -32.859 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.220 0.510 -33.886 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.031 1.927 -32.217 1.00 0.00 O ATOM 0 H GLU A 42 -13.839 -2.595 -31.910 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.615 -2.542 -33.542 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.340 -0.321 -34.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.764 -1.303 -33.863 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.654 -0.317 -31.430 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.626 0.903 -32.153 1.00 0.00 H new ATOM 664 N ALA A 43 -11.146 -0.979 -30.700 1.00 0.00 N ATOM 665 CA ALA A 43 -10.137 -0.367 -29.845 1.00 0.00 C ATOM 666 C ALA A 43 -9.215 -1.422 -29.242 1.00 0.00 C ATOM 667 O ALA A 43 -8.032 -1.169 -29.012 1.00 0.00 O ATOM 668 CB ALA A 43 -10.801 0.447 -28.744 1.00 0.00 C ATOM 0 H ALA A 43 -12.043 -1.142 -30.243 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.531 0.299 -30.460 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.035 0.898 -28.113 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.413 1.231 -29.190 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.431 -0.205 -28.139 1.00 0.00 H new ATOM 674 N LEU A 44 -9.764 -2.605 -28.988 1.00 0.00 N ATOM 675 CA LEU A 44 -8.991 -3.699 -28.411 1.00 0.00 C ATOM 676 C LEU A 44 -7.777 -4.024 -29.276 1.00 0.00 C ATOM 677 O LEU A 44 -6.783 -4.564 -28.791 1.00 0.00 O ATOM 678 CB LEU A 44 -9.868 -4.943 -28.256 1.00 0.00 C ATOM 679 CG LEU A 44 -11.067 -4.805 -27.317 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.783 -6.139 -27.167 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.624 -4.281 -25.959 1.00 0.00 C ATOM 0 H LEU A 44 -10.741 -2.831 -29.173 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.640 -3.384 -27.428 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.235 -5.230 -29.242 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.243 -5.761 -27.898 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.763 -4.088 -27.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.633 -6.022 -26.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.135 -6.475 -28.143 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.095 -6.877 -26.755 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.490 -4.189 -25.304 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.907 -4.974 -25.518 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.156 -3.304 -26.081 1.00 0.00 H new ATOM 693 N ASP A 45 -7.865 -3.688 -30.558 1.00 0.00 N ATOM 694 CA ASP A 45 -6.773 -3.941 -31.491 1.00 0.00 C ATOM 695 C ASP A 45 -5.587 -3.026 -31.200 1.00 0.00 C ATOM 696 O ASP A 45 -4.448 -3.342 -31.542 1.00 0.00 O ATOM 697 CB ASP A 45 -7.246 -3.740 -32.931 1.00 0.00 C ATOM 698 CG ASP A 45 -6.174 -4.082 -33.947 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.566 -5.166 -33.826 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.943 -3.265 -34.862 1.00 0.00 O ATOM 0 H ASP A 45 -8.681 -3.240 -30.975 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.452 -4.975 -31.364 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.124 -4.360 -33.111 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.554 -2.703 -33.068 1.00 0.00 H new ATOM 705 N ARG A 46 -5.864 -1.890 -30.568 1.00 0.00 N ATOM 706 CA ARG A 46 -4.821 -0.928 -30.233 1.00 0.00 C ATOM 707 C ARG A 46 -3.907 -1.475 -29.142 1.00 0.00 C ATOM 708 O ARG A 46 -2.701 -1.627 -29.345 1.00 0.00 O ATOM 709 CB ARG A 46 -5.444 0.393 -29.777 1.00 0.00 C ATOM 710 CG ARG A 46 -4.565 1.605 -30.043 1.00 0.00 C ATOM 711 CD ARG A 46 -3.581 1.839 -28.907 1.00 0.00 C ATOM 712 NE ARG A 46 -2.927 3.140 -29.010 1.00 0.00 N ATOM 713 CZ ARG A 46 -2.019 3.436 -29.934 1.00 0.00 C ATOM 714 NH1 ARG A 46 -1.661 2.527 -30.830 1.00 0.00 N ATOM 715 NH2 ARG A 46 -1.468 4.643 -29.962 1.00 0.00 N ATOM 0 H ARG A 46 -6.802 -1.613 -30.278 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.224 -0.751 -31.128 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.399 0.529 -30.285 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.656 0.336 -28.709 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.019 1.462 -30.975 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.190 2.488 -30.172 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.105 1.771 -27.954 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.827 1.052 -28.913 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.181 3.862 -28.335 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.083 1.598 -30.811 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.964 2.756 -31.538 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.741 5.345 -29.274 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.771 4.869 -30.672 1.00 0.00 H new ATOM 729 N LEU A 47 -4.487 -1.769 -27.984 1.00 0.00 N ATOM 730 CA LEU A 47 -3.724 -2.300 -26.859 1.00 0.00 C ATOM 731 C LEU A 47 -2.941 -3.543 -27.270 1.00 0.00 C ATOM 732 O LEU A 47 -1.825 -3.770 -26.799 1.00 0.00 O ATOM 733 CB LEU A 47 -4.659 -2.634 -25.696 1.00 0.00 C ATOM 734 CG LEU A 47 -5.443 -3.941 -25.819 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.658 -5.094 -25.211 1.00 0.00 C ATOM 736 CD2 LEU A 47 -6.805 -3.811 -25.153 1.00 0.00 C ATOM 0 H LEU A 47 -5.483 -1.649 -27.799 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.015 -1.536 -26.540 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.068 -2.673 -24.781 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.371 -1.816 -25.582 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.597 -4.151 -26.877 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.232 -6.016 -25.308 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.707 -5.202 -25.733 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.472 -4.891 -24.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.349 -4.751 -25.250 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.673 -3.576 -24.097 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.371 -3.013 -25.634 1.00 0.00 H new ATOM 748 N LEU A 48 -3.530 -4.342 -28.152 1.00 0.00 N ATOM 749 CA LEU A 48 -2.887 -5.561 -28.629 1.00 0.00 C ATOM 750 C LEU A 48 -1.705 -5.234 -29.537 1.00 0.00 C ATOM 751 O LEU A 48 -0.621 -5.801 -29.391 1.00 0.00 O ATOM 752 CB LEU A 48 -3.895 -6.434 -29.379 1.00 0.00 C ATOM 753 CG LEU A 48 -5.074 -6.954 -28.557 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.234 -7.331 -29.467 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.650 -8.145 -27.710 1.00 0.00 C ATOM 0 H LEU A 48 -4.452 -4.168 -28.552 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.516 -6.109 -27.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.288 -5.861 -30.219 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.364 -7.289 -29.797 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.406 -6.159 -27.890 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.064 -7.699 -28.864 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.555 -6.454 -30.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.915 -8.110 -30.159 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.502 -8.502 -27.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.292 -8.944 -28.359 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.852 -7.843 -27.032 1.00 0.00 H new ATOM 767 N LEU A 49 -1.921 -4.316 -30.472 1.00 0.00 N ATOM 768 CA LEU A 49 -0.873 -3.911 -31.403 1.00 0.00 C ATOM 769 C LEU A 49 0.323 -3.330 -30.657 1.00 0.00 C ATOM 770 O LEU A 49 1.471 -3.526 -31.055 1.00 0.00 O ATOM 771 CB LEU A 49 -1.417 -2.884 -32.398 1.00 0.00 C ATOM 772 CG LEU A 49 -0.392 -2.258 -33.344 1.00 0.00 C ATOM 773 CD1 LEU A 49 0.132 -3.295 -34.325 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.002 -1.079 -34.087 1.00 0.00 C ATOM 0 H LEU A 49 -2.812 -3.838 -30.606 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.543 -4.796 -31.948 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.190 -3.364 -32.998 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.900 -2.084 -31.837 1.00 0.00 H new ATOM 0 HG LEU A 49 0.446 -1.893 -32.750 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.860 -2.831 -34.990 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.608 -4.108 -33.776 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.696 -3.691 -34.913 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.258 -0.646 -34.756 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.859 -1.419 -34.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.327 -0.326 -33.370 1.00 0.00 H new ATOM 786 N ASP A 50 0.047 -2.615 -29.571 1.00 0.00 N ATOM 787 CA ASP A 50 1.100 -2.008 -28.767 1.00 0.00 C ATOM 788 C ASP A 50 1.856 -3.068 -27.972 1.00 0.00 C ATOM 789 O ASP A 50 3.070 -3.219 -28.116 1.00 0.00 O ATOM 790 CB ASP A 50 0.509 -0.965 -27.817 1.00 0.00 C ATOM 791 CG ASP A 50 0.249 0.361 -28.503 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.375 0.357 -29.584 1.00 0.00 O ATOM 793 OD2 ASP A 50 0.669 1.404 -27.958 1.00 0.00 O ATOM 0 H ASP A 50 -0.898 -2.442 -29.228 1.00 0.00 H new ATOM 0 HA ASP A 50 1.801 -1.517 -29.442 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.424 -1.344 -27.401 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.192 -0.811 -26.981 1.00 0.00 H new ATOM 798 N VAL A 51 1.131 -3.800 -27.132 1.00 0.00 N ATOM 799 CA VAL A 51 1.733 -4.846 -26.314 1.00 0.00 C ATOM 800 C VAL A 51 2.452 -5.875 -27.179 1.00 0.00 C ATOM 801 O VAL A 51 3.397 -6.525 -26.733 1.00 0.00 O ATOM 802 CB VAL A 51 0.676 -5.563 -25.453 1.00 0.00 C ATOM 803 CG1 VAL A 51 -0.096 -4.561 -24.610 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.267 -6.371 -26.332 1.00 0.00 C ATOM 0 H VAL A 51 0.126 -3.688 -27.000 1.00 0.00 H new ATOM 0 HA VAL A 51 2.455 -4.359 -25.659 1.00 0.00 H new ATOM 0 HB VAL A 51 1.187 -6.250 -24.779 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.838 -5.086 -24.009 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.593 -4.030 -23.953 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.598 -3.847 -25.263 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.007 -6.871 -25.708 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.772 -5.705 -27.032 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.302 -7.116 -26.887 1.00 0.00 H new ATOM 814 N ARG A 52 1.998 -6.018 -28.420 1.00 0.00 N ATOM 815 CA ARG A 52 2.597 -6.968 -29.349 1.00 0.00 C ATOM 816 C ARG A 52 3.797 -6.350 -30.061 1.00 0.00 C ATOM 817 O ARG A 52 4.780 -7.032 -30.346 1.00 0.00 O ATOM 818 CB ARG A 52 1.563 -7.431 -30.377 1.00 0.00 C ATOM 819 CG ARG A 52 2.094 -8.470 -31.350 1.00 0.00 C ATOM 820 CD ARG A 52 0.964 -9.195 -32.063 1.00 0.00 C ATOM 821 NE ARG A 52 0.451 -8.431 -33.197 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.342 -8.944 -34.131 1.00 0.00 C ATOM 823 NH1 ARG A 52 -0.712 -10.215 -34.065 1.00 0.00 N ATOM 824 NH2 ARG A 52 -0.767 -8.184 -35.132 1.00 0.00 N ATOM 0 H ARG A 52 1.217 -5.487 -28.805 1.00 0.00 H new ATOM 0 HA ARG A 52 2.940 -7.830 -28.776 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.701 -7.844 -29.852 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.210 -6.566 -30.939 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.738 -7.986 -32.085 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.709 -9.192 -30.813 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.319 -10.165 -32.411 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.154 -9.385 -31.359 1.00 0.00 H new ATOM 0 HE ARG A 52 0.716 -7.449 -33.276 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.388 -10.801 -33.296 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.321 -10.607 -34.783 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.485 -7.205 -35.185 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.376 -8.578 -35.849 1.00 0.00 H new ATOM 838 N ALA A 53 3.707 -5.055 -30.345 1.00 0.00 N ATOM 839 CA ALA A 53 4.785 -4.345 -31.022 1.00 0.00 C ATOM 840 C ALA A 53 5.736 -3.704 -30.017 1.00 0.00 C ATOM 841 O ALA A 53 6.514 -2.815 -30.364 1.00 0.00 O ATOM 842 CB ALA A 53 4.216 -3.291 -31.959 1.00 0.00 C ATOM 0 H ALA A 53 2.899 -4.476 -30.117 1.00 0.00 H new ATOM 0 HA ALA A 53 5.351 -5.069 -31.608 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.032 -2.769 -32.458 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.583 -3.771 -32.705 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.624 -2.577 -31.387 1.00 0.00 H new ATOM 848 N ARG A 54 5.667 -4.159 -28.770 1.00 0.00 N ATOM 849 CA ARG A 54 6.521 -3.628 -27.714 1.00 0.00 C ATOM 850 C ARG A 54 6.435 -2.106 -27.660 1.00 0.00 C ATOM 851 O ARG A 54 7.454 -1.415 -27.694 1.00 0.00 O ATOM 852 CB ARG A 54 7.971 -4.060 -27.936 1.00 0.00 C ATOM 853 CG ARG A 54 8.163 -5.568 -27.948 1.00 0.00 C ATOM 854 CD ARG A 54 9.336 -5.975 -28.826 1.00 0.00 C ATOM 855 NE ARG A 54 10.616 -5.576 -28.248 1.00 0.00 N ATOM 856 CZ ARG A 54 11.779 -5.709 -28.876 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.822 -6.227 -30.096 1.00 0.00 N ATOM 858 NH2 ARG A 54 12.902 -5.323 -28.284 1.00 0.00 N ATOM 0 H ARG A 54 5.029 -4.894 -28.466 1.00 0.00 H new ATOM 0 HA ARG A 54 6.172 -4.029 -26.762 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.322 -3.650 -28.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.594 -3.629 -27.152 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.329 -5.923 -26.931 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.254 -6.048 -28.309 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.324 -7.055 -28.969 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.226 -5.522 -29.811 1.00 0.00 H new ATOM 0 HE ARG A 54 10.617 -5.173 -27.311 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.961 -6.524 -30.554 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.716 -6.328 -30.576 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.873 -4.924 -27.346 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.794 -5.426 -28.767 1.00 0.00 H new ATOM 872 N ARG A 55 5.213 -1.589 -27.577 1.00 0.00 N ATOM 873 CA ARG A 55 4.995 -0.149 -27.520 1.00 0.00 C ATOM 874 C ARG A 55 4.317 0.247 -26.211 1.00 0.00 C ATOM 875 O ARG A 55 3.629 1.265 -26.139 1.00 0.00 O ATOM 876 CB ARG A 55 4.143 0.306 -28.706 1.00 0.00 C ATOM 877 CG ARG A 55 4.945 0.547 -29.975 1.00 0.00 C ATOM 878 CD ARG A 55 4.180 1.416 -30.961 1.00 0.00 C ATOM 879 NE ARG A 55 5.048 1.949 -32.008 1.00 0.00 N ATOM 880 CZ ARG A 55 5.921 2.930 -31.810 1.00 0.00 C ATOM 881 NH1 ARG A 55 6.042 3.482 -30.610 1.00 0.00 N ATOM 882 NH2 ARG A 55 6.675 3.361 -32.813 1.00 0.00 N ATOM 0 H ARG A 55 4.359 -2.146 -27.548 1.00 0.00 H new ATOM 0 HA ARG A 55 5.967 0.343 -27.569 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.381 -0.447 -28.905 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.621 1.224 -28.436 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.891 1.027 -29.723 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.186 -0.408 -30.441 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.381 0.831 -31.416 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.708 2.240 -30.427 1.00 0.00 H new ATOM 0 HE ARG A 55 4.980 1.546 -32.942 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.464 3.153 -29.837 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.713 4.235 -30.460 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.584 2.939 -33.737 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.345 4.115 -32.660 1.00 0.00 H new ATOM 896 N VAL A 56 4.515 -0.567 -25.178 1.00 0.00 N ATOM 897 CA VAL A 56 3.923 -0.302 -23.872 1.00 0.00 C ATOM 898 C VAL A 56 4.997 -0.189 -22.796 1.00 0.00 C ATOM 899 O VAL A 56 6.058 -0.805 -22.896 1.00 0.00 O ATOM 900 CB VAL A 56 2.925 -1.405 -23.474 1.00 0.00 C ATOM 901 CG1 VAL A 56 3.651 -2.720 -23.235 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.137 -0.990 -22.241 1.00 0.00 C ATOM 0 H VAL A 56 5.081 -1.415 -25.221 1.00 0.00 H new ATOM 0 HA VAL A 56 3.391 0.646 -23.951 1.00 0.00 H new ATOM 0 HB VAL A 56 2.222 -1.549 -24.295 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.930 -3.488 -22.955 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.167 -3.022 -24.147 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.377 -2.594 -22.432 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.436 -1.781 -21.974 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.823 -0.817 -21.412 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.586 -0.074 -22.453 1.00 0.00 H new ATOM 912 N ASP A 57 4.713 0.601 -21.766 1.00 0.00 N ATOM 913 CA ASP A 57 5.654 0.794 -20.669 1.00 0.00 C ATOM 914 C ASP A 57 4.935 0.757 -19.324 1.00 0.00 C ATOM 915 O ASP A 57 3.714 0.613 -19.267 1.00 0.00 O ATOM 916 CB ASP A 57 6.392 2.124 -20.829 1.00 0.00 C ATOM 917 CG ASP A 57 7.791 2.083 -20.246 1.00 0.00 C ATOM 918 OD1 ASP A 57 8.441 1.020 -20.335 1.00 0.00 O ATOM 919 OD2 ASP A 57 8.237 3.115 -19.703 1.00 0.00 O ATOM 0 H ASP A 57 3.839 1.118 -21.668 1.00 0.00 H new ATOM 0 HA ASP A 57 6.378 -0.020 -20.697 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.450 2.379 -21.887 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.821 2.914 -20.341 1.00 0.00 H new ATOM 924 N GLN A 58 5.700 0.885 -18.245 1.00 0.00 N ATOM 925 CA GLN A 58 5.136 0.864 -16.901 1.00 0.00 C ATOM 926 C GLN A 58 4.860 2.280 -16.404 1.00 0.00 C ATOM 927 O GLN A 58 5.631 3.203 -16.669 1.00 0.00 O ATOM 928 CB GLN A 58 6.084 0.148 -15.938 1.00 0.00 C ATOM 929 CG GLN A 58 7.336 0.946 -15.612 1.00 0.00 C ATOM 930 CD GLN A 58 8.218 0.256 -14.589 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.447 0.776 -13.497 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.719 -0.924 -14.939 1.00 0.00 N ATOM 0 H GLN A 58 6.713 1.004 -18.275 1.00 0.00 H new ATOM 0 HA GLN A 58 4.191 0.322 -16.939 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.551 -0.071 -15.013 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.375 -0.808 -16.372 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.906 1.110 -16.526 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.049 1.928 -15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.503 -1.318 -15.855 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.319 -1.435 -14.292 1.00 0.00 H new ATOM 941 N PHE A 59 3.757 2.444 -15.682 1.00 0.00 N ATOM 942 CA PHE A 59 3.379 3.748 -15.149 1.00 0.00 C ATOM 943 C PHE A 59 2.316 3.604 -14.063 1.00 0.00 C ATOM 944 O PHE A 59 1.576 2.621 -14.032 1.00 0.00 O ATOM 945 CB PHE A 59 2.859 4.650 -16.270 1.00 0.00 C ATOM 946 CG PHE A 59 3.093 6.112 -16.020 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.186 6.856 -15.283 1.00 0.00 C ATOM 948 CD2 PHE A 59 4.219 6.743 -16.523 1.00 0.00 C ATOM 949 CE1 PHE A 59 2.398 8.202 -15.050 1.00 0.00 C ATOM 950 CE2 PHE A 59 4.437 8.088 -16.294 1.00 0.00 C ATOM 951 CZ PHE A 59 3.525 8.819 -15.557 1.00 0.00 C ATOM 0 H PHE A 59 3.109 1.691 -15.452 1.00 0.00 H new ATOM 0 HA PHE A 59 4.266 4.203 -14.708 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.341 4.368 -17.206 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.790 4.478 -16.398 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.303 6.379 -14.886 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.935 6.177 -17.101 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.684 8.770 -14.473 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.320 8.568 -16.691 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.693 9.871 -15.378 1.00 0.00 H new ATOM 961 N GLN A 60 2.249 4.591 -13.175 1.00 0.00 N ATOM 962 CA GLN A 60 1.279 4.574 -12.087 1.00 0.00 C ATOM 963 C GLN A 60 0.850 5.990 -11.718 1.00 0.00 C ATOM 964 O GLN A 60 1.682 6.891 -11.607 1.00 0.00 O ATOM 965 CB GLN A 60 1.867 3.870 -10.862 1.00 0.00 C ATOM 966 CG GLN A 60 3.185 4.465 -10.394 1.00 0.00 C ATOM 967 CD GLN A 60 3.783 3.709 -9.224 1.00 0.00 C ATOM 968 OE1 GLN A 60 4.824 3.065 -9.352 1.00 0.00 O ATOM 969 NE2 GLN A 60 3.125 3.784 -8.072 1.00 0.00 N ATOM 0 H GLN A 60 2.855 5.412 -13.188 1.00 0.00 H new ATOM 0 HA GLN A 60 0.400 4.025 -12.426 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.146 3.917 -10.046 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.016 2.816 -11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.894 4.465 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.029 5.505 -10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.265 4.329 -8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.480 3.296 -7.249 1.00 0.00 H new ATOM 978 N ILE A 61 -0.451 6.178 -11.529 1.00 0.00 N ATOM 979 CA ILE A 61 -0.990 7.485 -11.171 1.00 0.00 C ATOM 980 C ILE A 61 -0.938 7.707 -9.664 1.00 0.00 C ATOM 981 O ILE A 61 -0.877 8.843 -9.195 1.00 0.00 O ATOM 982 CB ILE A 61 -2.444 7.646 -11.653 1.00 0.00 C ATOM 983 CG1 ILE A 61 -3.316 6.518 -11.096 1.00 0.00 C ATOM 984 CG2 ILE A 61 -2.499 7.664 -13.173 1.00 0.00 C ATOM 985 CD1 ILE A 61 -4.796 6.731 -11.323 1.00 0.00 C ATOM 0 H ILE A 61 -1.152 5.442 -11.618 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.367 8.230 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.831 8.596 -11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.017 5.577 -11.558 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.131 6.421 -10.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.533 7.778 -13.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.906 8.498 -13.549 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.097 6.729 -13.563 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.353 5.893 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.109 7.655 -10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.994 6.798 -12.393 1.00 0.00 H new ATOM 997 N ASN A 62 -0.961 6.613 -8.909 1.00 0.00 N ATOM 998 CA ASN A 62 -0.915 6.688 -7.453 1.00 0.00 C ATOM 999 C ASN A 62 -0.745 5.301 -6.842 1.00 0.00 C ATOM 1000 O ASN A 62 -0.731 4.296 -7.552 1.00 0.00 O ATOM 1001 CB ASN A 62 -2.190 7.342 -6.915 1.00 0.00 C ATOM 1002 CG ASN A 62 -1.952 8.089 -5.616 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -2.079 7.523 -4.530 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -1.607 9.367 -5.723 1.00 0.00 N ATOM 0 H ASN A 62 -1.011 5.665 -9.281 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.056 7.297 -7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.584 8.032 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.949 6.576 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.435 9.921 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.514 9.795 -6.644 1.00 0.00 H new ATOM 1011 N ALA A 63 -0.617 5.254 -5.520 1.00 0.00 N ATOM 1012 CA ALA A 63 -0.450 3.991 -4.812 1.00 0.00 C ATOM 1013 C ALA A 63 -1.523 3.815 -3.743 1.00 0.00 C ATOM 1014 O ALA A 63 -1.215 3.578 -2.575 1.00 0.00 O ATOM 1015 CB ALA A 63 0.936 3.913 -4.190 1.00 0.00 C ATOM 0 H ALA A 63 -0.626 6.077 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.557 3.182 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.046 2.964 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.691 3.984 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.066 4.735 -3.486 1.00 0.00 H new ATOM 1021 N SER A 64 -2.783 3.933 -4.149 1.00 0.00 N ATOM 1022 CA SER A 64 -3.901 3.792 -3.224 1.00 0.00 C ATOM 1023 C SER A 64 -4.661 2.495 -3.485 1.00 0.00 C ATOM 1024 O SER A 64 -5.288 1.939 -2.585 1.00 0.00 O ATOM 1025 CB SER A 64 -4.849 4.986 -3.350 1.00 0.00 C ATOM 1026 OG SER A 64 -4.222 6.182 -2.918 1.00 0.00 O ATOM 0 H SER A 64 -3.055 4.126 -5.113 1.00 0.00 H new ATOM 0 HA SER A 64 -3.500 3.761 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.169 5.093 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.746 4.807 -2.757 1.00 0.00 H new ATOM 0 HG SER A 64 -3.564 6.466 -3.586 1.00 0.00 H new ATOM 1032 N ALA A 65 -4.600 2.020 -4.725 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.280 0.788 -5.105 1.00 0.00 C ATOM 1034 C ALA A 65 -4.313 -0.195 -5.755 1.00 0.00 C ATOM 1035 O ALA A 65 -3.141 0.118 -5.963 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.436 1.093 -6.046 1.00 0.00 C ATOM 0 H ALA A 65 -4.087 2.470 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.674 0.325 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.935 0.164 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.146 1.753 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.056 1.581 -6.943 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.810 -1.386 -6.072 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.990 -2.415 -6.698 1.00 0.00 C ATOM 1044 C ALA A 66 -3.338 -1.895 -7.975 1.00 0.00 C ATOM 1045 O ALA A 66 -3.980 -1.812 -9.021 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.828 -3.649 -6.997 1.00 0.00 C ATOM 0 H ALA A 66 -5.778 -1.662 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.198 -2.687 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.202 -4.409 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.243 -4.041 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.640 -3.382 -7.673 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.059 -1.545 -7.880 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.321 -1.032 -9.028 1.00 0.00 C ATOM 1054 C GLN A 67 -0.682 -2.170 -9.818 1.00 0.00 C ATOM 1055 O GLN A 67 -0.602 -3.302 -9.339 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.245 -0.046 -8.570 1.00 0.00 C ATOM 1057 CG GLN A 67 0.038 1.057 -9.577 1.00 0.00 C ATOM 1058 CD GLN A 67 -1.207 1.832 -9.959 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -1.937 2.321 -9.097 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -1.458 1.947 -11.258 1.00 0.00 N ATOM 0 H GLN A 67 -1.513 -1.607 -7.021 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.025 -0.514 -9.679 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.555 0.405 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.677 -0.593 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.775 1.744 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.479 0.621 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.826 1.526 -11.939 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.283 2.457 -11.575 1.00 0.00 H new ATOM 1069 N ILE A 68 -0.229 -1.862 -11.028 1.00 0.00 N ATOM 1070 CA ILE A 68 0.403 -2.859 -11.883 1.00 0.00 C ATOM 1071 C ILE A 68 1.623 -2.281 -12.592 1.00 0.00 C ATOM 1072 O ILE A 68 1.553 -1.211 -13.197 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.580 -3.401 -12.938 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.805 -4.014 -12.256 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.108 -4.427 -13.825 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.897 -3.010 -11.959 1.00 0.00 C ATOM 0 H ILE A 68 -0.288 -0.930 -11.439 1.00 0.00 H new ATOM 0 HA ILE A 68 0.716 -3.678 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.912 -2.573 -13.564 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.209 -4.801 -12.893 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.494 -4.486 -11.324 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.599 -4.801 -14.565 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.952 -3.961 -14.333 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.465 -5.256 -13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.734 -3.515 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.509 -2.236 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.236 -2.555 -12.890 1.00 0.00 H new ATOM 1088 N ILE A 69 2.740 -2.997 -12.514 1.00 0.00 N ATOM 1089 CA ILE A 69 3.975 -2.556 -13.151 1.00 0.00 C ATOM 1090 C ILE A 69 4.441 -3.560 -14.200 1.00 0.00 C ATOM 1091 O ILE A 69 4.381 -4.771 -13.987 1.00 0.00 O ATOM 1092 CB ILE A 69 5.099 -2.352 -12.118 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.676 -1.321 -11.069 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.382 -1.916 -12.810 1.00 0.00 C ATOM 1095 CD1 ILE A 69 3.908 -1.917 -9.911 1.00 0.00 C ATOM 0 H ILE A 69 2.815 -3.884 -12.016 1.00 0.00 H new ATOM 0 HA ILE A 69 3.758 -1.603 -13.634 1.00 0.00 H new ATOM 0 HB ILE A 69 5.286 -3.300 -11.614 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.565 -0.820 -10.685 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.062 -0.559 -11.548 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.167 -1.776 -12.067 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.689 -2.682 -13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.210 -0.978 -13.337 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.641 -1.129 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.001 -2.394 -10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.527 -2.659 -9.407 1.00 0.00 H new ATOM 1107 N VAL A 70 4.906 -3.048 -15.335 1.00 0.00 N ATOM 1108 CA VAL A 70 5.385 -3.899 -16.418 1.00 0.00 C ATOM 1109 C VAL A 70 6.886 -4.140 -16.304 1.00 0.00 C ATOM 1110 O VAL A 70 7.665 -3.204 -16.119 1.00 0.00 O ATOM 1111 CB VAL A 70 5.079 -3.281 -17.795 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.614 -4.168 -18.909 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.584 -3.052 -17.956 1.00 0.00 C ATOM 0 H VAL A 70 4.961 -2.048 -15.529 1.00 0.00 H new ATOM 0 HA VAL A 70 4.859 -4.850 -16.330 1.00 0.00 H new ATOM 0 HB VAL A 70 5.580 -2.315 -17.860 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.388 -3.715 -19.875 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.693 -4.276 -18.802 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.144 -5.150 -18.850 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.386 -2.615 -18.935 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.059 -4.003 -17.871 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.234 -2.373 -17.178 1.00 0.00 H new ATOM 1123 N THR A 71 7.287 -5.403 -16.415 1.00 0.00 N ATOM 1124 CA THR A 71 8.695 -5.769 -16.324 1.00 0.00 C ATOM 1125 C THR A 71 9.379 -5.667 -17.683 1.00 0.00 C ATOM 1126 O THR A 71 9.638 -6.679 -18.335 1.00 0.00 O ATOM 1127 CB THR A 71 8.870 -7.199 -15.779 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.136 -8.124 -16.589 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.394 -7.290 -14.337 1.00 0.00 C ATOM 0 H THR A 71 6.656 -6.190 -16.568 1.00 0.00 H new ATOM 0 HA THR A 71 9.160 -5.066 -15.633 1.00 0.00 H new ATOM 0 HB THR A 71 9.930 -7.450 -15.811 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.318 -7.946 -17.535 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.527 -8.309 -13.973 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.974 -6.605 -13.718 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.339 -7.021 -14.284 1.00 0.00 H new ATOM 1137 N ASP A 72 9.668 -4.441 -18.104 1.00 0.00 N ATOM 1138 CA ASP A 72 10.324 -4.208 -19.386 1.00 0.00 C ATOM 1139 C ASP A 72 11.835 -4.091 -19.210 1.00 0.00 C ATOM 1140 O ASP A 72 12.552 -3.725 -20.143 1.00 0.00 O ATOM 1141 CB ASP A 72 9.775 -2.940 -20.041 1.00 0.00 C ATOM 1142 CG ASP A 72 10.142 -2.841 -21.508 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.528 -3.874 -22.095 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.043 -1.730 -22.070 1.00 0.00 O ATOM 0 H ASP A 72 9.459 -3.593 -17.577 1.00 0.00 H new ATOM 0 HA ASP A 72 10.116 -5.061 -20.033 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.690 -2.922 -19.939 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.159 -2.067 -19.514 1.00 0.00 H new