USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 514 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 SER N :NH3+ -169:sc= -0.0258 (180deg=-0.128) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot -49:sc= 0.248 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.862 K(o=-0.86,f=-0.062) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 87:sc= 0.267 USER MOD Single : A 37 TYR OH : rot -131:sc= -0.123 USER MOD Single : A 39 ASN : amide:sc= -0.0634 K(o=-0.063,f=-2.2!) USER MOD Single : A 40 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.42) USER MOD Single : A 43 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.3!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -14! C(o=-14!,f=-21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 31.868 10.157 -6.647 1.00 0.00 N ATOM 2 CA SER A 1 33.085 10.685 -5.965 1.00 0.00 C ATOM 3 C SER A 1 33.004 10.419 -4.459 1.00 0.00 C ATOM 4 O SER A 1 34.005 10.388 -3.770 1.00 0.00 O ATOM 5 CB SER A 1 33.076 12.187 -6.246 1.00 0.00 C ATOM 6 OG SER A 1 33.191 12.403 -7.646 1.00 0.00 O ATOM 0 H1 SER A 1 32.013 10.173 -7.677 1.00 0.00 H new ATOM 0 H2 SER A 1 31.693 9.180 -6.337 1.00 0.00 H new ATOM 0 H3 SER A 1 31.049 10.750 -6.404 1.00 0.00 H new ATOM 0 HA SER A 1 33.998 10.210 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 1 32.155 12.633 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 1 33.900 12.672 -5.723 1.00 0.00 H new ATOM 0 HG SER A 1 33.184 13.366 -7.830 1.00 0.00 H new ATOM 14 N ASP A 2 31.821 10.228 -3.944 1.00 0.00 N ATOM 15 CA ASP A 2 31.678 9.964 -2.483 1.00 0.00 C ATOM 16 C ASP A 2 31.340 8.491 -2.242 1.00 0.00 C ATOM 17 O ASP A 2 30.636 8.149 -1.313 1.00 0.00 O ATOM 18 CB ASP A 2 30.525 10.860 -2.030 1.00 0.00 C ATOM 19 CG ASP A 2 31.082 12.179 -1.492 1.00 0.00 C ATOM 20 OD1 ASP A 2 31.750 12.144 -0.472 1.00 0.00 O ATOM 21 OD2 ASP A 2 30.832 13.201 -2.109 1.00 0.00 O ATOM 0 H ASP A 2 30.947 10.243 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 2 32.596 10.172 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.850 11.052 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 2 29.942 10.358 -1.258 1.00 0.00 H new ATOM 26 N VAL A 3 31.836 7.619 -3.074 1.00 0.00 N ATOM 27 CA VAL A 3 31.544 6.165 -2.894 1.00 0.00 C ATOM 28 C VAL A 3 32.739 5.321 -3.350 1.00 0.00 C ATOM 29 O VAL A 3 33.499 4.829 -2.540 1.00 0.00 O ATOM 30 CB VAL A 3 30.310 5.869 -3.758 1.00 0.00 C ATOM 31 CG1 VAL A 3 29.042 6.126 -2.942 1.00 0.00 C ATOM 32 CG2 VAL A 3 30.307 6.772 -4.991 1.00 0.00 C ATOM 0 H VAL A 3 32.431 7.847 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 3 31.361 5.920 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 3 30.340 4.827 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 3 28.166 5.916 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 3 29.036 5.478 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 3 29.020 7.168 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 3 29.428 6.555 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.283 7.816 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.207 6.590 -5.578 1.00 0.00 H new ATOM 42 N LEU A 4 32.907 5.155 -4.638 1.00 0.00 N ATOM 43 CA LEU A 4 34.051 4.345 -5.165 1.00 0.00 C ATOM 44 C LEU A 4 34.356 3.163 -4.239 1.00 0.00 C ATOM 45 O LEU A 4 35.486 2.733 -4.117 1.00 0.00 O ATOM 46 CB LEU A 4 35.239 5.313 -5.230 1.00 0.00 C ATOM 47 CG LEU A 4 35.722 5.662 -3.820 1.00 0.00 C ATOM 48 CD1 LEU A 4 37.233 5.888 -3.842 1.00 0.00 C ATOM 49 CD2 LEU A 4 35.026 6.939 -3.344 1.00 0.00 C ATOM 0 H LEU A 4 32.296 5.549 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 4 33.827 3.917 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 4 36.052 4.862 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 4 34.947 6.222 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 4 35.485 4.842 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 4 37.578 6.137 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 4 37.732 4.981 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 4 37.468 6.708 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 4 35.370 7.188 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 4 35.264 7.758 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 4 33.947 6.782 -3.330 1.00 0.00 H new ATOM 61 N ASP A 5 33.357 2.635 -3.587 1.00 0.00 N ATOM 62 CA ASP A 5 33.591 1.482 -2.670 1.00 0.00 C ATOM 63 C ASP A 5 32.262 0.805 -2.322 1.00 0.00 C ATOM 64 O ASP A 5 31.828 -0.111 -2.990 1.00 0.00 O ATOM 65 CB ASP A 5 34.226 2.092 -1.420 1.00 0.00 C ATOM 66 CG ASP A 5 34.179 1.078 -0.276 1.00 0.00 C ATOM 67 OD1 ASP A 5 35.062 0.239 -0.218 1.00 0.00 O ATOM 68 OD2 ASP A 5 33.260 1.159 0.523 1.00 0.00 O ATOM 0 H ASP A 5 32.389 2.951 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 5 34.227 0.720 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 35.258 2.376 -1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 5 33.695 3.001 -1.136 1.00 0.00 H new ATOM 73 N ILE A 6 31.614 1.251 -1.280 1.00 0.00 N ATOM 74 CA ILE A 6 30.314 0.634 -0.889 1.00 0.00 C ATOM 75 C ILE A 6 30.393 -0.891 -1.005 1.00 0.00 C ATOM 76 O ILE A 6 29.441 -1.544 -1.385 1.00 0.00 O ATOM 77 CB ILE A 6 29.295 1.194 -1.881 1.00 0.00 C ATOM 78 CG1 ILE A 6 29.501 2.704 -2.025 1.00 0.00 C ATOM 79 CG2 ILE A 6 27.880 0.920 -1.371 1.00 0.00 C ATOM 80 CD1 ILE A 6 29.190 3.391 -0.694 1.00 0.00 C ATOM 0 H ILE A 6 31.928 2.016 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 6 30.046 0.859 0.143 1.00 0.00 H new ATOM 0 HB ILE A 6 29.430 0.713 -2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.528 2.915 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.854 3.097 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.154 1.320 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.732 -0.155 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.743 1.400 -0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.337 4.466 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.156 3.191 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 6 29.856 3.006 0.078 1.00 0.00 H new ATOM 92 N THR A 7 31.520 -1.463 -0.680 1.00 0.00 N ATOM 93 CA THR A 7 31.657 -2.945 -0.773 1.00 0.00 C ATOM 94 C THR A 7 32.437 -3.481 0.432 1.00 0.00 C ATOM 95 O THR A 7 32.777 -4.646 0.495 1.00 0.00 O ATOM 96 CB THR A 7 32.433 -3.192 -2.067 1.00 0.00 C ATOM 97 OG1 THR A 7 31.695 -2.675 -3.165 1.00 0.00 O ATOM 98 CG2 THR A 7 32.650 -4.693 -2.257 1.00 0.00 C ATOM 0 H THR A 7 32.351 -0.969 -0.354 1.00 0.00 H new ATOM 0 HA THR A 7 30.691 -3.449 -0.776 1.00 0.00 H new ATOM 0 HB THR A 7 33.400 -2.693 -2.011 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.954 -1.743 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.203 -4.867 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.217 -5.088 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.685 -5.196 -2.313 1.00 0.00 H new ATOM 106 N ALA A 8 32.723 -2.639 1.387 1.00 0.00 N ATOM 107 CA ALA A 8 33.480 -3.101 2.586 1.00 0.00 C ATOM 108 C ALA A 8 32.624 -4.063 3.414 1.00 0.00 C ATOM 109 O ALA A 8 32.154 -3.727 4.483 1.00 0.00 O ATOM 110 CB ALA A 8 33.779 -1.829 3.380 1.00 0.00 C ATOM 0 H ALA A 8 32.466 -1.652 1.389 1.00 0.00 H new ATOM 0 HA ALA A 8 34.390 -3.637 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 8 34.336 -2.085 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 34.371 -1.149 2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 8 32.843 -1.345 3.658 1.00 0.00 H new ATOM 116 N ASP A 9 32.416 -5.256 2.928 1.00 0.00 N ATOM 117 CA ASP A 9 31.589 -6.237 3.686 1.00 0.00 C ATOM 118 C ASP A 9 32.477 -7.334 4.285 1.00 0.00 C ATOM 119 O ASP A 9 32.505 -8.447 3.799 1.00 0.00 O ATOM 120 CB ASP A 9 30.632 -6.824 2.647 1.00 0.00 C ATOM 121 CG ASP A 9 31.423 -7.640 1.623 1.00 0.00 C ATOM 122 OD1 ASP A 9 32.016 -7.035 0.744 1.00 0.00 O ATOM 123 OD2 ASP A 9 31.422 -8.855 1.734 1.00 0.00 O ATOM 0 H ASP A 9 32.783 -5.594 2.038 1.00 0.00 H new ATOM 0 HA ASP A 9 31.058 -5.776 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 9 29.891 -7.456 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 9 30.087 -6.024 2.146 1.00 0.00 H new ATOM 128 N PRO A 10 33.175 -6.978 5.330 1.00 0.00 N ATOM 129 CA PRO A 10 34.075 -7.942 6.010 1.00 0.00 C ATOM 130 C PRO A 10 33.258 -8.981 6.783 1.00 0.00 C ATOM 131 O PRO A 10 33.617 -10.139 6.854 1.00 0.00 O ATOM 132 CB PRO A 10 34.883 -7.065 6.963 1.00 0.00 C ATOM 133 CG PRO A 10 34.021 -5.868 7.211 1.00 0.00 C ATOM 134 CD PRO A 10 33.192 -5.658 5.971 1.00 0.00 C ATOM 0 HA PRO A 10 34.704 -8.504 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 10 35.105 -7.591 7.892 1.00 0.00 H new ATOM 0 HB3 PRO A 10 35.838 -6.779 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 10 33.382 -6.026 8.080 1.00 0.00 H new ATOM 0 HG3 PRO A 10 34.632 -4.990 7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 10 32.185 -5.320 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 10 33.632 -4.903 5.319 1.00 0.00 H new ATOM 142 N THR A 11 32.162 -8.575 7.363 1.00 0.00 N ATOM 143 CA THR A 11 31.323 -9.539 8.132 1.00 0.00 C ATOM 144 C THR A 11 30.069 -8.840 8.665 1.00 0.00 C ATOM 145 O THR A 11 29.577 -9.155 9.730 1.00 0.00 O ATOM 146 CB THR A 11 32.210 -10.005 9.287 1.00 0.00 C ATOM 147 OG1 THR A 11 31.613 -11.132 9.915 1.00 0.00 O ATOM 148 CG2 THR A 11 32.365 -8.874 10.305 1.00 0.00 C ATOM 0 H THR A 11 31.811 -7.618 7.338 1.00 0.00 H new ATOM 0 HA THR A 11 30.985 -10.373 7.517 1.00 0.00 H new ATOM 0 HB THR A 11 33.192 -10.280 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 11 30.670 -10.941 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 11 32.998 -9.209 11.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 32.823 -8.011 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 11 31.385 -8.596 10.692 1.00 0.00 H new ATOM 156 N THR A 12 29.549 -7.894 7.931 1.00 0.00 N ATOM 157 CA THR A 12 28.327 -7.176 8.397 1.00 0.00 C ATOM 158 C THR A 12 27.197 -7.339 7.376 1.00 0.00 C ATOM 159 O THR A 12 26.144 -6.747 7.503 1.00 0.00 O ATOM 160 CB THR A 12 28.748 -5.709 8.505 1.00 0.00 C ATOM 161 OG1 THR A 12 29.540 -5.533 9.672 1.00 0.00 O ATOM 162 CG2 THR A 12 27.501 -4.822 8.593 1.00 0.00 C ATOM 0 H THR A 12 29.916 -7.587 7.030 1.00 0.00 H new ATOM 0 HA THR A 12 27.955 -7.563 9.345 1.00 0.00 H new ATOM 0 HB THR A 12 29.327 -5.430 7.625 1.00 0.00 H new ATOM 0 HG1 THR A 12 29.813 -4.595 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.802 -3.777 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.893 -4.959 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.920 -5.098 9.473 1.00 0.00 H new ATOM 170 N ALA A 13 27.408 -8.137 6.366 1.00 0.00 N ATOM 171 CA ALA A 13 26.345 -8.338 5.339 1.00 0.00 C ATOM 172 C ALA A 13 25.691 -6.999 4.983 1.00 0.00 C ATOM 173 O ALA A 13 24.501 -6.825 5.155 1.00 0.00 O ATOM 174 CB ALA A 13 25.331 -9.273 5.997 1.00 0.00 C ATOM 0 H ALA A 13 28.270 -8.659 6.207 1.00 0.00 H new ATOM 0 HA ALA A 13 26.740 -8.753 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.514 -9.470 5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.819 -10.212 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.936 -8.805 6.898 1.00 0.00 H new ATOM 180 N PRO A 14 26.497 -6.097 4.494 1.00 0.00 N ATOM 181 CA PRO A 14 25.994 -4.755 4.104 1.00 0.00 C ATOM 182 C PRO A 14 25.143 -4.858 2.835 1.00 0.00 C ATOM 183 O PRO A 14 24.085 -4.267 2.736 1.00 0.00 O ATOM 184 CB PRO A 14 27.275 -3.958 3.836 1.00 0.00 C ATOM 185 CG PRO A 14 28.300 -4.991 3.491 1.00 0.00 C ATOM 186 CD PRO A 14 27.938 -6.236 4.259 1.00 0.00 C ATOM 0 HA PRO A 14 25.361 -4.294 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 14 27.137 -3.249 3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 14 27.573 -3.381 4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.306 -5.186 2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 14 29.300 -4.648 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.165 -7.137 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.491 -6.303 5.196 1.00 0.00 H new ATOM 194 N GLN A 15 25.595 -5.604 1.864 1.00 0.00 N ATOM 195 CA GLN A 15 24.810 -5.744 0.604 1.00 0.00 C ATOM 196 C GLN A 15 23.347 -6.059 0.925 1.00 0.00 C ATOM 197 O GLN A 15 22.438 -5.466 0.376 1.00 0.00 O ATOM 198 CB GLN A 15 25.460 -6.911 -0.140 1.00 0.00 C ATOM 199 CG GLN A 15 25.225 -6.753 -1.643 1.00 0.00 C ATOM 200 CD GLN A 15 26.499 -7.129 -2.402 1.00 0.00 C ATOM 201 OE1 GLN A 15 26.695 -8.276 -2.753 1.00 0.00 O ATOM 202 NE2 GLN A 15 27.381 -6.205 -2.671 1.00 0.00 N ATOM 0 H GLN A 15 26.473 -6.122 1.888 1.00 0.00 H new ATOM 0 HA GLN A 15 24.814 -4.830 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 15 26.529 -6.940 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 15 25.041 -7.856 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 15 24.399 -7.389 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 15 24.943 -5.725 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 15 27.217 -5.242 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 15 28.234 -6.446 -3.176 1.00 0.00 H new ATOM 211 N THR A 16 23.111 -6.988 1.811 1.00 0.00 N ATOM 212 CA THR A 16 21.706 -7.338 2.165 1.00 0.00 C ATOM 213 C THR A 16 21.030 -6.154 2.863 1.00 0.00 C ATOM 214 O THR A 16 19.829 -5.984 2.793 1.00 0.00 O ATOM 215 CB THR A 16 21.820 -8.538 3.111 1.00 0.00 C ATOM 216 OG1 THR A 16 22.078 -9.711 2.352 1.00 0.00 O ATOM 217 CG2 THR A 16 20.513 -8.711 3.887 1.00 0.00 C ATOM 0 H THR A 16 23.829 -7.519 2.304 1.00 0.00 H new ATOM 0 HA THR A 16 21.102 -7.574 1.289 1.00 0.00 H new ATOM 0 HB THR A 16 22.635 -8.368 3.814 1.00 0.00 H new ATOM 0 HG1 THR A 16 22.153 -10.480 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 16 20.599 -9.565 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.313 -7.811 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 16 19.694 -8.880 3.188 1.00 0.00 H new ATOM 225 N GLU A 17 21.792 -5.331 3.533 1.00 0.00 N ATOM 226 CA GLU A 17 21.193 -4.163 4.228 1.00 0.00 C ATOM 227 C GLU A 17 20.511 -3.243 3.213 1.00 0.00 C ATOM 228 O GLU A 17 19.387 -2.820 3.399 1.00 0.00 O ATOM 229 CB GLU A 17 22.371 -3.450 4.893 1.00 0.00 C ATOM 230 CG GLU A 17 22.165 -3.428 6.409 1.00 0.00 C ATOM 231 CD GLU A 17 21.821 -4.836 6.898 1.00 0.00 C ATOM 232 OE1 GLU A 17 22.737 -5.624 7.068 1.00 0.00 O ATOM 233 OE2 GLU A 17 20.646 -5.103 7.094 1.00 0.00 O ATOM 0 H GLU A 17 22.804 -5.420 3.627 1.00 0.00 H new ATOM 0 HA GLU A 17 20.434 -4.456 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.303 -3.960 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.456 -2.432 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.068 -3.070 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.364 -2.736 6.668 1.00 0.00 H new ATOM 240 N ARG A 18 21.184 -2.932 2.139 1.00 0.00 N ATOM 241 CA ARG A 18 20.576 -2.042 1.109 1.00 0.00 C ATOM 242 C ARG A 18 19.430 -2.767 0.399 1.00 0.00 C ATOM 243 O ARG A 18 18.381 -2.204 0.159 1.00 0.00 O ATOM 244 CB ARG A 18 21.710 -1.736 0.129 1.00 0.00 C ATOM 245 CG ARG A 18 21.127 -1.159 -1.163 1.00 0.00 C ATOM 246 CD ARG A 18 22.096 -0.126 -1.743 1.00 0.00 C ATOM 247 NE ARG A 18 21.930 -0.231 -3.219 1.00 0.00 N ATOM 248 CZ ARG A 18 20.769 0.008 -3.764 1.00 0.00 C ATOM 249 NH1 ARG A 18 20.171 1.148 -3.554 1.00 0.00 N ATOM 250 NH2 ARG A 18 20.205 -0.894 -4.520 1.00 0.00 N ATOM 0 H ARG A 18 22.128 -3.256 1.930 1.00 0.00 H new ATOM 0 HA ARG A 18 20.158 -1.133 1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 18 22.408 -1.027 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 18 22.273 -2.644 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.954 -1.957 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.161 -0.695 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.861 0.878 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 18 23.123 -0.337 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 18 22.724 -0.490 -3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.611 1.854 -2.963 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.263 1.334 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.672 -1.786 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.297 -0.707 -4.946 1.00 0.00 H new ATOM 264 N MET A 19 19.622 -4.013 0.063 1.00 0.00 N ATOM 265 CA MET A 19 18.540 -4.771 -0.629 1.00 0.00 C ATOM 266 C MET A 19 17.288 -4.813 0.248 1.00 0.00 C ATOM 267 O MET A 19 16.181 -4.655 -0.227 1.00 0.00 O ATOM 268 CB MET A 19 19.105 -6.177 -0.831 1.00 0.00 C ATOM 269 CG MET A 19 19.051 -6.540 -2.316 1.00 0.00 C ATOM 270 SD MET A 19 20.253 -5.538 -3.226 1.00 0.00 S ATOM 271 CE MET A 19 19.103 -4.860 -4.449 1.00 0.00 C ATOM 0 H MET A 19 20.479 -4.538 0.237 1.00 0.00 H new ATOM 0 HA MET A 19 18.251 -4.312 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 19 20.133 -6.222 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.532 -6.898 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 19 19.269 -7.600 -2.451 1.00 0.00 H new ATOM 0 HG3 MET A 19 18.048 -6.368 -2.707 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.642 -4.199 -5.128 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.653 -5.675 -5.017 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.320 -4.297 -3.940 1.00 0.00 H new ATOM 281 N MET A 20 17.453 -5.017 1.527 1.00 0.00 N ATOM 282 CA MET A 20 16.267 -5.057 2.428 1.00 0.00 C ATOM 283 C MET A 20 15.578 -3.692 2.422 1.00 0.00 C ATOM 284 O MET A 20 14.375 -3.591 2.288 1.00 0.00 O ATOM 285 CB MET A 20 16.828 -5.372 3.815 1.00 0.00 C ATOM 286 CG MET A 20 16.601 -6.851 4.133 1.00 0.00 C ATOM 287 SD MET A 20 17.270 -7.225 5.773 1.00 0.00 S ATOM 288 CE MET A 20 16.917 -8.999 5.764 1.00 0.00 C ATOM 0 H MET A 20 18.354 -5.157 1.985 1.00 0.00 H new ATOM 0 HA MET A 20 15.529 -5.797 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 20 17.893 -5.141 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 20 16.342 -4.749 4.566 1.00 0.00 H new ATOM 0 HG2 MET A 20 15.536 -7.081 4.102 1.00 0.00 H new ATOM 0 HG3 MET A 20 17.084 -7.474 3.381 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.254 -9.442 6.701 1.00 0.00 H new ATOM 0 HE2 MET A 20 15.844 -9.156 5.654 1.00 0.00 H new ATOM 0 HE3 MET A 20 17.440 -9.470 4.931 1.00 0.00 H new ATOM 298 N ARG A 21 16.338 -2.641 2.562 1.00 0.00 N ATOM 299 CA ARG A 21 15.738 -1.282 2.559 1.00 0.00 C ATOM 300 C ARG A 21 14.904 -1.079 1.291 1.00 0.00 C ATOM 301 O ARG A 21 13.874 -0.435 1.310 1.00 0.00 O ATOM 302 CB ARG A 21 16.928 -0.323 2.580 1.00 0.00 C ATOM 303 CG ARG A 21 16.420 1.120 2.619 1.00 0.00 C ATOM 304 CD ARG A 21 17.351 2.012 1.795 1.00 0.00 C ATOM 305 NE ARG A 21 18.700 1.817 2.395 1.00 0.00 N ATOM 306 CZ ARG A 21 19.411 2.852 2.752 1.00 0.00 C ATOM 307 NH1 ARG A 21 19.866 3.674 1.847 1.00 0.00 N ATOM 308 NH2 ARG A 21 19.667 3.064 4.014 1.00 0.00 N ATOM 0 H ARG A 21 17.351 -2.667 2.678 1.00 0.00 H new ATOM 0 HA ARG A 21 15.072 -1.120 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 21 17.554 -0.523 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.549 -0.478 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.406 1.170 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.378 1.474 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.342 1.727 0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.044 3.057 1.845 1.00 0.00 H new ATOM 0 HE ARG A 21 19.068 0.875 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.666 3.508 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.422 4.483 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.312 2.421 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.223 3.873 4.293 1.00 0.00 H new ATOM 322 N ILE A 22 15.342 -1.626 0.188 1.00 0.00 N ATOM 323 CA ILE A 22 14.574 -1.465 -1.079 1.00 0.00 C ATOM 324 C ILE A 22 13.250 -2.229 -0.995 1.00 0.00 C ATOM 325 O ILE A 22 12.194 -1.693 -1.269 1.00 0.00 O ATOM 326 CB ILE A 22 15.470 -2.061 -2.165 1.00 0.00 C ATOM 327 CG1 ILE A 22 16.722 -1.195 -2.323 1.00 0.00 C ATOM 328 CG2 ILE A 22 14.708 -2.102 -3.491 1.00 0.00 C ATOM 329 CD1 ILE A 22 16.315 0.275 -2.441 1.00 0.00 C ATOM 0 H ILE A 22 16.197 -2.176 0.111 1.00 0.00 H new ATOM 0 HA ILE A 22 14.327 -0.423 -1.282 1.00 0.00 H new ATOM 0 HB ILE A 22 15.760 -3.073 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.383 -1.333 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.279 -1.501 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.347 -2.527 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.816 -2.718 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.418 -1.091 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.207 0.892 -2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 22 15.671 0.406 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 22 15.776 0.577 -1.543 1.00 0.00 H new ATOM 341 N ASN A 23 13.298 -3.478 -0.619 1.00 0.00 N ATOM 342 CA ASN A 23 12.042 -4.275 -0.517 1.00 0.00 C ATOM 343 C ASN A 23 11.047 -3.577 0.413 1.00 0.00 C ATOM 344 O ASN A 23 9.847 -3.700 0.261 1.00 0.00 O ATOM 345 CB ASN A 23 12.472 -5.620 0.070 1.00 0.00 C ATOM 346 CG ASN A 23 12.687 -6.626 -1.062 1.00 0.00 C ATOM 347 OD1 ASN A 23 11.741 -7.190 -1.576 1.00 0.00 O ATOM 348 ND2 ASN A 23 13.899 -6.877 -1.474 1.00 0.00 N ATOM 0 H ASN A 23 14.152 -3.981 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 23 11.547 -4.391 -1.481 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.391 -5.501 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.711 -5.988 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.053 -7.547 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.693 -6.403 -1.042 1.00 0.00 H new ATOM 355 N TRP A 24 11.535 -2.843 1.376 1.00 0.00 N ATOM 356 CA TRP A 24 10.616 -2.137 2.314 1.00 0.00 C ATOM 357 C TRP A 24 9.989 -0.923 1.624 1.00 0.00 C ATOM 358 O TRP A 24 8.805 -0.674 1.737 1.00 0.00 O ATOM 359 CB TRP A 24 11.502 -1.694 3.479 1.00 0.00 C ATOM 360 CG TRP A 24 10.931 -2.205 4.762 1.00 0.00 C ATOM 361 CD1 TRP A 24 10.278 -3.381 4.908 1.00 0.00 C ATOM 362 CD2 TRP A 24 10.949 -1.580 6.079 1.00 0.00 C ATOM 363 NE1 TRP A 24 9.895 -3.517 6.231 1.00 0.00 N ATOM 364 CE2 TRP A 24 10.285 -2.433 6.991 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.472 -0.368 6.564 1.00 0.00 C ATOM 366 CZ2 TRP A 24 10.145 -2.096 8.338 1.00 0.00 C ATOM 367 CZ3 TRP A 24 11.332 -0.025 7.919 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.670 -0.888 8.804 1.00 0.00 C ATOM 0 H TRP A 24 12.529 -2.702 1.554 1.00 0.00 H new ATOM 0 HA TRP A 24 9.795 -2.773 2.646 1.00 0.00 H new ATOM 0 HB2 TRP A 24 12.515 -2.072 3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.569 -0.606 3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.087 -4.096 4.121 1.00 0.00 H new ATOM 0 HE1 TRP A 24 9.386 -4.321 6.600 1.00 0.00 H new ATOM 0 HE3 TRP A 24 11.984 0.303 5.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.634 -2.764 9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 11.736 0.909 8.281 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.566 -0.619 9.845 1.00 0.00 H new ATOM 379 N LYS A 25 10.775 -0.167 0.907 1.00 0.00 N ATOM 380 CA LYS A 25 10.224 1.029 0.209 1.00 0.00 C ATOM 381 C LYS A 25 9.137 0.606 -0.784 1.00 0.00 C ATOM 382 O LYS A 25 8.120 1.255 -0.919 1.00 0.00 O ATOM 383 CB LYS A 25 11.415 1.643 -0.528 1.00 0.00 C ATOM 384 CG LYS A 25 10.912 2.659 -1.555 1.00 0.00 C ATOM 385 CD LYS A 25 11.705 3.960 -1.417 1.00 0.00 C ATOM 386 CE LYS A 25 12.422 4.264 -2.735 1.00 0.00 C ATOM 387 NZ LYS A 25 12.395 5.748 -2.853 1.00 0.00 N ATOM 0 H LYS A 25 11.774 -0.326 0.775 1.00 0.00 H new ATOM 0 HA LYS A 25 9.766 1.736 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.084 2.129 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.990 0.862 -1.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.023 2.258 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.850 2.850 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.036 4.780 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.430 3.872 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.445 3.887 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.917 3.792 -3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.869 6.035 -3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.409 6.077 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.889 6.170 -2.041 1.00 0.00 H new ATOM 401 N LYS A 26 9.345 -0.480 -1.478 1.00 0.00 N ATOM 402 CA LYS A 26 8.324 -0.944 -2.459 1.00 0.00 C ATOM 403 C LYS A 26 7.069 -1.427 -1.727 1.00 0.00 C ATOM 404 O LYS A 26 5.983 -0.923 -1.936 1.00 0.00 O ATOM 405 CB LYS A 26 8.989 -2.101 -3.205 1.00 0.00 C ATOM 406 CG LYS A 26 8.094 -2.543 -4.365 1.00 0.00 C ATOM 407 CD LYS A 26 8.675 -2.027 -5.683 1.00 0.00 C ATOM 408 CE LYS A 26 9.189 -3.207 -6.512 1.00 0.00 C ATOM 409 NZ LYS A 26 10.605 -2.867 -6.825 1.00 0.00 N ATOM 0 H LYS A 26 10.177 -1.065 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 26 8.010 -0.150 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.964 -1.792 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.160 -2.936 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.021 -3.630 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.084 -2.159 -4.226 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.913 -1.482 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.487 -1.327 -5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.121 -4.141 -5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.603 -3.336 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.028 -3.629 -7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.638 -1.977 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.140 -2.757 -5.940 1.00 0.00 H new ATOM 423 N TRP A 27 7.211 -2.402 -0.871 1.00 0.00 N ATOM 424 CA TRP A 27 6.029 -2.919 -0.126 1.00 0.00 C ATOM 425 C TRP A 27 5.150 -1.759 0.349 1.00 0.00 C ATOM 426 O TRP A 27 3.945 -1.777 0.193 1.00 0.00 O ATOM 427 CB TRP A 27 6.614 -3.672 1.070 1.00 0.00 C ATOM 428 CG TRP A 27 5.507 -4.314 1.843 1.00 0.00 C ATOM 429 CD1 TRP A 27 5.281 -4.140 3.165 1.00 0.00 C ATOM 430 CD2 TRP A 27 4.475 -5.226 1.368 1.00 0.00 C ATOM 431 NE1 TRP A 27 4.176 -4.887 3.532 1.00 0.00 N ATOM 432 CE2 TRP A 27 3.644 -5.574 2.459 1.00 0.00 C ATOM 433 CE3 TRP A 27 4.182 -5.780 0.108 1.00 0.00 C ATOM 434 CZ2 TRP A 27 2.561 -6.441 2.306 1.00 0.00 C ATOM 435 CZ3 TRP A 27 3.092 -6.652 -0.049 1.00 0.00 C ATOM 436 CH2 TRP A 27 2.284 -6.982 1.048 1.00 0.00 C ATOM 0 H TRP A 27 8.095 -2.863 -0.656 1.00 0.00 H new ATOM 0 HA TRP A 27 5.400 -3.559 -0.745 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.320 -4.429 0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.169 -2.986 1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.867 -3.519 3.826 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.800 -4.926 4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.799 -5.533 -0.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.941 -6.692 3.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.875 -7.071 -1.021 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.448 -7.654 0.921 1.00 0.00 H new ATOM 447 N TRP A 28 5.742 -0.750 0.927 1.00 0.00 N ATOM 448 CA TRP A 28 4.937 0.408 1.412 1.00 0.00 C ATOM 449 C TRP A 28 4.315 1.154 0.228 1.00 0.00 C ATOM 450 O TRP A 28 3.187 1.600 0.288 1.00 0.00 O ATOM 451 CB TRP A 28 5.929 1.307 2.150 1.00 0.00 C ATOM 452 CG TRP A 28 5.386 1.643 3.502 1.00 0.00 C ATOM 453 CD1 TRP A 28 5.217 2.897 3.982 1.00 0.00 C ATOM 454 CD2 TRP A 28 4.939 0.739 4.553 1.00 0.00 C ATOM 455 NE1 TRP A 28 4.695 2.820 5.260 1.00 0.00 N ATOM 456 CE2 TRP A 28 4.506 1.511 5.657 1.00 0.00 C ATOM 457 CE3 TRP A 28 4.867 -0.662 4.655 1.00 0.00 C ATOM 458 CZ2 TRP A 28 4.019 0.914 6.821 1.00 0.00 C ATOM 459 CZ3 TRP A 28 4.378 -1.266 5.825 1.00 0.00 C ATOM 460 CH2 TRP A 28 3.955 -0.479 6.906 1.00 0.00 C ATOM 0 H TRP A 28 6.747 -0.677 1.085 1.00 0.00 H new ATOM 0 HA TRP A 28 4.116 0.095 2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.890 0.803 2.247 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.104 2.219 1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.452 3.809 3.453 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.476 3.631 5.839 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.190 -1.277 3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.694 1.525 7.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.327 -2.343 5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.580 -0.949 7.803 1.00 0.00 H new ATOM 471 N GLN A 29 5.039 1.291 -0.850 1.00 0.00 N ATOM 472 CA GLN A 29 4.480 2.006 -2.033 1.00 0.00 C ATOM 473 C GLN A 29 3.154 1.368 -2.449 1.00 0.00 C ATOM 474 O GLN A 29 2.119 2.006 -2.450 1.00 0.00 O ATOM 475 CB GLN A 29 5.528 1.836 -3.134 1.00 0.00 C ATOM 476 CG GLN A 29 6.594 2.925 -2.997 1.00 0.00 C ATOM 477 CD GLN A 29 7.069 3.352 -4.387 1.00 0.00 C ATOM 478 OE1 GLN A 29 7.538 4.458 -4.569 1.00 0.00 O ATOM 479 NE2 GLN A 29 6.968 2.515 -5.384 1.00 0.00 N ATOM 0 H GLN A 29 5.990 0.940 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 29 4.279 3.057 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.989 0.851 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.055 1.897 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.187 3.782 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.435 2.554 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.574 1.586 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.283 2.790 -6.315 1.00 0.00 H new ATOM 488 N VAL A 30 3.174 0.111 -2.796 1.00 0.00 N ATOM 489 CA VAL A 30 1.912 -0.569 -3.204 1.00 0.00 C ATOM 490 C VAL A 30 0.910 -0.539 -2.049 1.00 0.00 C ATOM 491 O VAL A 30 -0.288 -0.529 -2.251 1.00 0.00 O ATOM 492 CB VAL A 30 2.321 -2.007 -3.525 1.00 0.00 C ATOM 493 CG1 VAL A 30 1.074 -2.836 -3.835 1.00 0.00 C ATOM 494 CG2 VAL A 30 3.251 -2.013 -4.740 1.00 0.00 C ATOM 0 H VAL A 30 4.009 -0.475 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 30 1.434 -0.086 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 30 2.839 -2.437 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.366 -3.861 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.410 -2.832 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.555 -2.407 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.543 -3.038 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.733 -1.583 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.141 -1.423 -4.520 1.00 0.00 H new ATOM 504 N PHE A 31 1.395 -0.521 -0.837 1.00 0.00 N ATOM 505 CA PHE A 31 0.476 -0.487 0.337 1.00 0.00 C ATOM 506 C PHE A 31 -0.285 0.842 0.369 1.00 0.00 C ATOM 507 O PHE A 31 -1.495 0.873 0.472 1.00 0.00 O ATOM 508 CB PHE A 31 1.395 -0.609 1.559 1.00 0.00 C ATOM 509 CG PHE A 31 0.564 -0.573 2.819 1.00 0.00 C ATOM 510 CD1 PHE A 31 -0.651 -1.265 2.877 1.00 0.00 C ATOM 511 CD2 PHE A 31 1.009 0.156 3.928 1.00 0.00 C ATOM 512 CE1 PHE A 31 -1.422 -1.228 4.045 1.00 0.00 C ATOM 513 CE2 PHE A 31 0.238 0.193 5.096 1.00 0.00 C ATOM 514 CZ PHE A 31 -0.977 -0.499 5.155 1.00 0.00 C ATOM 0 H PHE A 31 2.389 -0.528 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.270 -1.281 0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.961 -1.539 1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.120 0.205 1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.994 -1.827 2.021 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.947 0.690 3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.360 -1.762 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.581 0.756 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.571 -0.471 6.056 1.00 0.00 H new ATOM 524 N TYR A 32 0.415 1.940 0.283 1.00 0.00 N ATOM 525 CA TYR A 32 -0.269 3.265 0.309 1.00 0.00 C ATOM 526 C TYR A 32 -1.268 3.368 -0.846 1.00 0.00 C ATOM 527 O TYR A 32 -2.363 3.869 -0.689 1.00 0.00 O ATOM 528 CB TYR A 32 0.852 4.291 0.143 1.00 0.00 C ATOM 529 CG TYR A 32 0.334 5.664 0.498 1.00 0.00 C ATOM 530 CD1 TYR A 32 -0.376 5.859 1.689 1.00 0.00 C ATOM 531 CD2 TYR A 32 0.563 6.743 -0.364 1.00 0.00 C ATOM 532 CE1 TYR A 32 -0.856 7.132 2.018 1.00 0.00 C ATOM 533 CE2 TYR A 32 0.083 8.017 -0.035 1.00 0.00 C ATOM 534 CZ TYR A 32 -0.627 8.211 1.156 1.00 0.00 C ATOM 535 OH TYR A 32 -1.100 9.466 1.481 1.00 0.00 O ATOM 0 H TYR A 32 1.431 1.977 0.196 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.832 3.422 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.695 4.032 0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.218 4.283 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.553 5.027 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.110 6.593 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.403 7.282 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.260 8.849 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.854 10.101 0.776 1.00 0.00 H new ATOM 545 N THR A 33 -0.898 2.899 -2.007 1.00 0.00 N ATOM 546 CA THR A 33 -1.828 2.972 -3.170 1.00 0.00 C ATOM 547 C THR A 33 -3.020 2.035 -2.956 1.00 0.00 C ATOM 548 O THR A 33 -4.161 2.419 -3.120 1.00 0.00 O ATOM 549 CB THR A 33 -0.997 2.518 -4.371 1.00 0.00 C ATOM 550 OG1 THR A 33 0.384 2.653 -4.067 1.00 0.00 O ATOM 551 CG2 THR A 33 -1.340 3.380 -5.587 1.00 0.00 C ATOM 0 H THR A 33 0.007 2.469 -2.200 1.00 0.00 H new ATOM 0 HA THR A 33 -2.234 3.974 -3.311 1.00 0.00 H new ATOM 0 HB THR A 33 -1.220 1.475 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.702 1.840 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.747 3.055 -6.442 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.400 3.276 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.118 4.424 -5.367 1.00 0.00 H new ATOM 559 N VAL A 34 -2.765 0.808 -2.592 1.00 0.00 N ATOM 560 CA VAL A 34 -3.885 -0.151 -2.369 1.00 0.00 C ATOM 561 C VAL A 34 -4.793 0.349 -1.242 1.00 0.00 C ATOM 562 O VAL A 34 -5.998 0.417 -1.387 1.00 0.00 O ATOM 563 CB VAL A 34 -3.208 -1.462 -1.972 1.00 0.00 C ATOM 564 CG1 VAL A 34 -4.262 -2.448 -1.470 1.00 0.00 C ATOM 565 CG2 VAL A 34 -2.493 -2.055 -3.188 1.00 0.00 C ATOM 0 H VAL A 34 -1.831 0.428 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.513 -0.268 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.483 -1.272 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.779 -3.383 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.772 -2.026 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.987 -2.639 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.010 -2.990 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.218 -2.246 -3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.741 -1.352 -3.547 1.00 0.00 H new ATOM 575 N VAL A 35 -4.226 0.698 -0.120 1.00 0.00 N ATOM 576 CA VAL A 35 -5.059 1.193 1.013 1.00 0.00 C ATOM 577 C VAL A 35 -5.842 2.437 0.585 1.00 0.00 C ATOM 578 O VAL A 35 -6.970 2.640 0.988 1.00 0.00 O ATOM 579 CB VAL A 35 -4.063 1.538 2.120 1.00 0.00 C ATOM 580 CG1 VAL A 35 -4.822 1.883 3.402 1.00 0.00 C ATOM 581 CG2 VAL A 35 -3.153 0.336 2.378 1.00 0.00 C ATOM 0 H VAL A 35 -3.223 0.662 0.061 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.790 0.455 1.343 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.461 2.393 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.111 2.129 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.473 2.738 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.424 1.028 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.442 0.581 3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.757 -0.518 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.611 0.088 1.466 1.00 0.00 H new ATOM 591 N ASP A 36 -5.254 3.269 -0.230 1.00 0.00 N ATOM 592 CA ASP A 36 -5.969 4.496 -0.683 1.00 0.00 C ATOM 593 C ASP A 36 -7.216 4.108 -1.481 1.00 0.00 C ATOM 594 O ASP A 36 -8.290 4.637 -1.269 1.00 0.00 O ATOM 595 CB ASP A 36 -4.968 5.234 -1.574 1.00 0.00 C ATOM 596 CG ASP A 36 -4.016 6.053 -0.701 1.00 0.00 C ATOM 597 OD1 ASP A 36 -3.620 5.553 0.340 1.00 0.00 O ATOM 598 OD2 ASP A 36 -3.698 7.165 -1.088 1.00 0.00 O ATOM 0 H ASP A 36 -4.311 3.153 -0.601 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.301 5.115 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.404 4.520 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.496 5.888 -2.268 1.00 0.00 H new ATOM 603 N TYR A 37 -7.083 3.185 -2.394 1.00 0.00 N ATOM 604 CA TYR A 37 -8.263 2.761 -3.200 1.00 0.00 C ATOM 605 C TYR A 37 -9.357 2.219 -2.276 1.00 0.00 C ATOM 606 O TYR A 37 -10.527 2.499 -2.452 1.00 0.00 O ATOM 607 CB TYR A 37 -7.739 1.657 -4.119 1.00 0.00 C ATOM 608 CG TYR A 37 -8.902 0.903 -4.717 1.00 0.00 C ATOM 609 CD1 TYR A 37 -9.877 1.588 -5.452 1.00 0.00 C ATOM 610 CD2 TYR A 37 -9.005 -0.482 -4.537 1.00 0.00 C ATOM 611 CE1 TYR A 37 -10.955 0.888 -6.007 1.00 0.00 C ATOM 612 CE2 TYR A 37 -10.084 -1.181 -5.091 1.00 0.00 C ATOM 613 CZ TYR A 37 -11.059 -0.496 -5.826 1.00 0.00 C ATOM 614 OH TYR A 37 -12.122 -1.186 -6.373 1.00 0.00 O ATOM 0 H TYR A 37 -6.210 2.707 -2.616 1.00 0.00 H new ATOM 0 HA TYR A 37 -8.700 3.584 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.127 2.089 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.100 0.975 -3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.798 2.656 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.252 -1.011 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.707 1.416 -6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.164 -2.249 -4.951 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.523 -1.764 -5.690 1.00 0.00 H new ATOM 624 N VAL A 38 -8.985 1.448 -1.291 1.00 0.00 N ATOM 625 CA VAL A 38 -10.003 0.892 -0.355 1.00 0.00 C ATOM 626 C VAL A 38 -10.659 2.023 0.440 1.00 0.00 C ATOM 627 O VAL A 38 -11.860 2.052 0.620 1.00 0.00 O ATOM 628 CB VAL A 38 -9.222 -0.037 0.575 1.00 0.00 C ATOM 629 CG1 VAL A 38 -10.161 -0.593 1.647 1.00 0.00 C ATOM 630 CG2 VAL A 38 -8.635 -1.194 -0.237 1.00 0.00 C ATOM 0 H VAL A 38 -8.021 1.179 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.802 0.365 -0.877 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.415 0.520 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.605 -1.255 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.581 0.230 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.967 -1.150 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.078 -1.857 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.442 -1.751 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.966 -0.799 -1.002 1.00 0.00 H new ATOM 640 N ASN A 39 -9.880 2.958 0.914 1.00 0.00 N ATOM 641 CA ASN A 39 -10.464 4.087 1.692 1.00 0.00 C ATOM 642 C ASN A 39 -11.452 4.863 0.821 1.00 0.00 C ATOM 643 O ASN A 39 -12.466 5.346 1.288 1.00 0.00 O ATOM 644 CB ASN A 39 -9.273 4.967 2.072 1.00 0.00 C ATOM 645 CG ASN A 39 -9.674 5.906 3.210 1.00 0.00 C ATOM 646 OD1 ASN A 39 -10.788 5.854 3.693 1.00 0.00 O ATOM 647 ND2 ASN A 39 -8.807 6.770 3.663 1.00 0.00 N ATOM 0 H ASN A 39 -8.867 2.988 0.796 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.011 3.747 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.432 4.346 2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -8.944 5.545 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.065 7.401 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.872 6.814 3.258 1.00 0.00 H new ATOM 654 N GLN A 40 -11.164 4.982 -0.445 1.00 0.00 N ATOM 655 CA GLN A 40 -12.084 5.723 -1.355 1.00 0.00 C ATOM 656 C GLN A 40 -13.416 4.978 -1.473 1.00 0.00 C ATOM 657 O GLN A 40 -14.476 5.558 -1.348 1.00 0.00 O ATOM 658 CB GLN A 40 -11.366 5.756 -2.704 1.00 0.00 C ATOM 659 CG GLN A 40 -10.335 6.887 -2.706 1.00 0.00 C ATOM 660 CD GLN A 40 -11.051 8.231 -2.553 1.00 0.00 C ATOM 661 OE1 GLN A 40 -10.736 9.003 -1.670 1.00 0.00 O ATOM 662 NE2 GLN A 40 -12.009 8.544 -3.382 1.00 0.00 N ATOM 0 H GLN A 40 -10.330 4.598 -0.890 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.310 6.725 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.874 4.801 -2.890 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.087 5.905 -3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.624 6.747 -1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.764 6.871 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.274 7.896 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.493 9.437 -3.288 1.00 0.00 H new ATOM 671 N ILE A 41 -13.370 3.694 -1.710 1.00 0.00 N ATOM 672 CA ILE A 41 -14.636 2.916 -1.831 1.00 0.00 C ATOM 673 C ILE A 41 -15.408 2.967 -0.512 1.00 0.00 C ATOM 674 O ILE A 41 -16.562 3.344 -0.472 1.00 0.00 O ATOM 675 CB ILE A 41 -14.195 1.486 -2.143 1.00 0.00 C ATOM 676 CG1 ILE A 41 -13.381 1.475 -3.439 1.00 0.00 C ATOM 677 CG2 ILE A 41 -15.428 0.596 -2.309 1.00 0.00 C ATOM 678 CD1 ILE A 41 -12.936 0.045 -3.750 1.00 0.00 C ATOM 0 H ILE A 41 -12.513 3.152 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.296 3.313 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.582 1.109 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.980 1.867 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.511 2.124 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -15.113 -0.424 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -16.009 0.603 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -16.041 0.973 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.356 0.037 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.321 -0.331 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.813 -0.592 -3.867 1.00 0.00 H new ATOM 690 N ILE A 42 -14.778 2.599 0.569 1.00 0.00 N ATOM 691 CA ILE A 42 -15.478 2.637 1.884 1.00 0.00 C ATOM 692 C ILE A 42 -16.186 3.982 2.049 1.00 0.00 C ATOM 693 O ILE A 42 -17.398 4.064 2.058 1.00 0.00 O ATOM 694 CB ILE A 42 -14.370 2.481 2.930 1.00 0.00 C ATOM 695 CG1 ILE A 42 -13.942 1.013 3.007 1.00 0.00 C ATOM 696 CG2 ILE A 42 -14.889 2.933 4.298 1.00 0.00 C ATOM 697 CD1 ILE A 42 -13.079 0.787 4.252 1.00 0.00 C ATOM 0 H ILE A 42 -13.811 2.274 0.599 1.00 0.00 H new ATOM 0 HA ILE A 42 -16.234 1.858 1.979 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.515 3.095 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -14.821 0.370 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.383 0.741 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -14.100 2.822 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.192 3.979 4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.745 2.321 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.778 -0.259 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.192 1.418 4.199 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.652 1.041 5.143 1.00 0.00 H new ATOM 709 N GLN A 43 -15.433 5.038 2.176 1.00 0.00 N ATOM 710 CA GLN A 43 -16.055 6.382 2.336 1.00 0.00 C ATOM 711 C GLN A 43 -17.187 6.563 1.321 1.00 0.00 C ATOM 712 O GLN A 43 -18.175 7.216 1.590 1.00 0.00 O ATOM 713 CB GLN A 43 -14.926 7.377 2.065 1.00 0.00 C ATOM 714 CG GLN A 43 -15.469 8.804 2.159 1.00 0.00 C ATOM 715 CD GLN A 43 -14.367 9.796 1.781 1.00 0.00 C ATOM 716 OE1 GLN A 43 -13.480 9.473 1.016 1.00 0.00 O ATOM 717 NE2 GLN A 43 -14.386 10.998 2.288 1.00 0.00 N ATOM 0 H GLN A 43 -14.413 5.029 2.176 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.490 6.521 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.121 7.235 2.786 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.503 7.202 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.324 8.923 1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.822 9.004 3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.131 11.269 2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.656 11.667 2.042 1.00 0.00 H new ATOM 726 N LEU A 44 -17.051 5.989 0.156 1.00 0.00 N ATOM 727 CA LEU A 44 -18.122 6.130 -0.872 1.00 0.00 C ATOM 728 C LEU A 44 -19.340 5.287 -0.483 1.00 0.00 C ATOM 729 O LEU A 44 -20.462 5.607 -0.821 1.00 0.00 O ATOM 730 CB LEU A 44 -17.500 5.608 -2.167 1.00 0.00 C ATOM 731 CG LEU A 44 -17.431 6.740 -3.193 1.00 0.00 C ATOM 732 CD1 LEU A 44 -17.063 6.166 -4.563 1.00 0.00 C ATOM 733 CD2 LEU A 44 -18.793 7.432 -3.281 1.00 0.00 C ATOM 0 H LEU A 44 -16.247 5.430 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 44 -18.466 7.159 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.501 5.219 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -18.093 4.782 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.674 7.462 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.014 6.973 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.093 5.672 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.819 5.444 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -18.745 8.239 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.549 6.709 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -19.057 7.841 -2.306 1.00 0.00 H new ATOM 745 N MET A 45 -19.126 4.213 0.227 1.00 0.00 N ATOM 746 CA MET A 45 -20.270 3.350 0.639 1.00 0.00 C ATOM 747 C MET A 45 -21.156 4.091 1.644 1.00 0.00 C ATOM 748 O MET A 45 -22.350 4.218 1.459 1.00 0.00 O ATOM 749 CB MET A 45 -19.626 2.126 1.291 1.00 0.00 C ATOM 750 CG MET A 45 -20.406 0.870 0.899 1.00 0.00 C ATOM 751 SD MET A 45 -20.246 -0.371 2.207 1.00 0.00 S ATOM 752 CE MET A 45 -20.838 -1.788 1.250 1.00 0.00 C ATOM 0 H MET A 45 -18.208 3.896 0.540 1.00 0.00 H new ATOM 0 HA MET A 45 -20.906 3.076 -0.203 1.00 0.00 H new ATOM 0 HB2 MET A 45 -18.587 2.036 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.619 2.239 2.375 1.00 0.00 H new ATOM 0 HG2 MET A 45 -21.456 1.115 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 45 -20.027 0.473 -0.043 1.00 0.00 H new ATOM 0 HE1 MET A 45 -20.823 -2.681 1.875 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.857 -1.599 0.912 1.00 0.00 H new ATOM 0 HE3 MET A 45 -20.191 -1.939 0.386 1.00 0.00 H new ATOM 762 N SER A 46 -20.579 4.581 2.707 1.00 0.00 N ATOM 763 CA SER A 46 -21.388 5.314 3.724 1.00 0.00 C ATOM 764 C SER A 46 -22.083 6.517 3.081 1.00 0.00 C ATOM 765 O SER A 46 -23.209 6.840 3.401 1.00 0.00 O ATOM 766 CB SER A 46 -20.379 5.775 4.774 1.00 0.00 C ATOM 767 OG SER A 46 -20.011 4.670 5.589 1.00 0.00 O ATOM 0 H SER A 46 -19.583 4.506 2.916 1.00 0.00 H new ATOM 0 HA SER A 46 -22.171 4.691 4.157 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.497 6.193 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.811 6.566 5.387 1.00 0.00 H new ATOM 0 HG SER A 46 -19.362 4.962 6.263 1.00 0.00 H new ATOM 773 N LYS A 47 -21.419 7.184 2.176 1.00 0.00 N ATOM 774 CA LYS A 47 -22.041 8.366 1.513 1.00 0.00 C ATOM 775 C LYS A 47 -23.386 7.978 0.892 1.00 0.00 C ATOM 776 O LYS A 47 -23.469 7.650 -0.275 1.00 0.00 O ATOM 777 CB LYS A 47 -21.048 8.778 0.426 1.00 0.00 C ATOM 778 CG LYS A 47 -19.777 9.332 1.074 1.00 0.00 C ATOM 779 CD LYS A 47 -19.993 10.800 1.448 1.00 0.00 C ATOM 780 CE LYS A 47 -19.044 11.679 0.631 1.00 0.00 C ATOM 781 NZ LYS A 47 -19.923 12.413 -0.321 1.00 0.00 N ATOM 0 H LYS A 47 -20.473 6.961 1.867 1.00 0.00 H new ATOM 0 HA LYS A 47 -22.238 9.177 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.804 7.921 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -21.495 9.531 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.527 8.752 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.936 9.241 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.027 11.087 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.814 10.945 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.494 12.368 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.305 11.077 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.344 13.038 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.429 11.732 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.611 12.983 0.211 1.00 0.00 H new ATOM 795 N ARG A 48 -24.440 8.014 1.661 1.00 0.00 N ATOM 796 CA ARG A 48 -25.778 7.648 1.112 1.00 0.00 C ATOM 797 C ARG A 48 -25.659 6.397 0.235 1.00 0.00 C ATOM 798 O ARG A 48 -24.926 5.479 0.544 1.00 0.00 O ATOM 799 CB ARG A 48 -26.215 8.853 0.269 1.00 0.00 C ATOM 800 CG ARG A 48 -25.834 10.166 0.968 1.00 0.00 C ATOM 801 CD ARG A 48 -24.833 10.932 0.100 1.00 0.00 C ATOM 802 NE ARG A 48 -25.633 12.008 -0.549 1.00 0.00 N ATOM 803 CZ ARG A 48 -25.567 13.231 -0.100 1.00 0.00 C ATOM 804 NH1 ARG A 48 -26.312 13.597 0.907 1.00 0.00 N ATOM 805 NH2 ARG A 48 -24.757 14.088 -0.658 1.00 0.00 N ATOM 0 H ARG A 48 -24.433 8.281 2.645 1.00 0.00 H new ATOM 0 HA ARG A 48 -26.498 7.424 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -25.744 8.807 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -27.292 8.820 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -26.724 10.772 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -25.400 9.958 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -24.026 11.349 0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -24.373 10.279 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 48 -26.232 11.788 -1.345 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -26.946 12.927 1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -26.261 14.553 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.175 13.802 -1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.705 15.044 -0.307 1.00 0.00 H new ATOM 819 N SER A 49 -26.374 6.353 -0.857 1.00 0.00 N ATOM 820 CA SER A 49 -26.301 5.161 -1.750 1.00 0.00 C ATOM 821 C SER A 49 -26.894 3.937 -1.048 1.00 0.00 C ATOM 822 O SER A 49 -26.357 2.849 -1.115 1.00 0.00 O ATOM 823 CB SER A 49 -24.811 4.955 -2.019 1.00 0.00 C ATOM 824 OG SER A 49 -24.645 4.288 -3.263 1.00 0.00 O ATOM 0 H SER A 49 -27.005 7.091 -1.169 1.00 0.00 H new ATOM 0 HA SER A 49 -26.865 5.302 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 49 -24.297 5.916 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 49 -24.363 4.369 -1.217 1.00 0.00 H new ATOM 0 HG SER A 49 -23.690 4.156 -3.439 1.00 0.00 H new ATOM 830 N ARG A 50 -27.999 4.106 -0.374 1.00 0.00 N ATOM 831 CA ARG A 50 -28.626 2.952 0.332 1.00 0.00 C ATOM 832 C ARG A 50 -30.145 3.132 0.395 1.00 0.00 C ATOM 833 O ARG A 50 -30.893 2.184 0.271 1.00 0.00 O ATOM 834 CB ARG A 50 -28.024 2.971 1.738 1.00 0.00 C ATOM 835 CG ARG A 50 -26.631 2.340 1.705 1.00 0.00 C ATOM 836 CD ARG A 50 -25.980 2.468 3.084 1.00 0.00 C ATOM 837 NE ARG A 50 -24.736 1.653 2.998 1.00 0.00 N ATOM 838 CZ ARG A 50 -23.882 1.660 3.985 1.00 0.00 C ATOM 839 NH1 ARG A 50 -24.111 0.943 5.051 1.00 0.00 N ATOM 840 NH2 ARG A 50 -22.800 2.385 3.907 1.00 0.00 N ATOM 0 H ARG A 50 -28.495 4.993 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 50 -28.440 2.006 -0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -27.962 3.996 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -28.667 2.424 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -26.702 1.290 1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.015 2.833 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.755 3.508 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -26.641 2.099 3.869 1.00 0.00 H new ATOM 0 HE ARG A 50 -24.552 1.090 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.957 0.377 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.444 0.948 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.621 2.947 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -22.133 2.390 4.679 1.00 0.00 H new ATOM 854 N SER A 51 -30.607 4.339 0.584 1.00 0.00 N ATOM 855 CA SER A 51 -32.080 4.569 0.648 1.00 0.00 C ATOM 856 C SER A 51 -32.781 3.740 -0.430 1.00 0.00 C ATOM 857 O SER A 51 -33.912 3.320 -0.273 1.00 0.00 O ATOM 858 CB SER A 51 -32.261 6.063 0.380 1.00 0.00 C ATOM 859 OG SER A 51 -31.554 6.417 -0.802 1.00 0.00 O ATOM 0 H SER A 51 -30.031 5.173 0.697 1.00 0.00 H new ATOM 0 HA SER A 51 -32.507 4.276 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 51 -33.319 6.299 0.269 1.00 0.00 H new ATOM 0 HB3 SER A 51 -31.892 6.643 1.226 1.00 0.00 H new ATOM 0 HG SER A 51 -31.669 7.374 -0.978 1.00 0.00 H new ATOM 865 N LEU A 52 -32.109 3.493 -1.521 1.00 0.00 N ATOM 866 CA LEU A 52 -32.724 2.684 -2.609 1.00 0.00 C ATOM 867 C LEU A 52 -32.742 1.205 -2.216 1.00 0.00 C ATOM 868 O LEU A 52 -33.655 0.476 -2.551 1.00 0.00 O ATOM 869 CB LEU A 52 -31.826 2.906 -3.826 1.00 0.00 C ATOM 870 CG LEU A 52 -32.492 2.312 -5.068 1.00 0.00 C ATOM 871 CD1 LEU A 52 -32.465 0.785 -4.982 1.00 0.00 C ATOM 872 CD2 LEU A 52 -33.944 2.791 -5.145 1.00 0.00 C ATOM 0 H LEU A 52 -31.160 3.817 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 52 -33.756 2.974 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -31.648 3.972 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -30.854 2.440 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 52 -31.953 2.635 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -32.940 0.362 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -31.432 0.442 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -33.004 0.461 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -34.420 2.368 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -34.482 2.467 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -33.965 3.879 -5.206 1.00 0.00 H new ATOM 884 N ASN A 53 -31.745 0.754 -1.501 1.00 0.00 N ATOM 885 CA ASN A 53 -31.725 -0.679 -1.089 1.00 0.00 C ATOM 886 C ASN A 53 -32.719 -0.894 0.054 1.00 0.00 C ATOM 887 O ASN A 53 -33.134 -2.001 0.332 1.00 0.00 O ATOM 888 CB ASN A 53 -30.279 -0.966 -0.636 1.00 0.00 C ATOM 889 CG ASN A 53 -29.947 -0.173 0.631 1.00 0.00 C ATOM 890 OD1 ASN A 53 -30.818 0.158 1.408 1.00 0.00 O ATOM 891 ND2 ASN A 53 -28.704 0.139 0.880 1.00 0.00 N ATOM 0 H ASN A 53 -30.950 1.311 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 53 -32.015 -1.350 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -30.156 -2.032 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -29.583 -0.700 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.468 0.659 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.969 -0.137 0.229 1.00 0.00 H new ATOM 898 N SER A 54 -33.115 0.165 0.706 1.00 0.00 N ATOM 899 CA SER A 54 -34.095 0.032 1.818 1.00 0.00 C ATOM 900 C SER A 54 -35.507 -0.033 1.238 1.00 0.00 C ATOM 901 O SER A 54 -36.315 -0.853 1.629 1.00 0.00 O ATOM 902 CB SER A 54 -33.916 1.293 2.662 1.00 0.00 C ATOM 903 OG SER A 54 -34.744 1.209 3.814 1.00 0.00 O ATOM 0 H SER A 54 -32.801 1.117 0.516 1.00 0.00 H new ATOM 0 HA SER A 54 -33.942 -0.869 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 -32.872 1.402 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 54 -34.175 2.176 2.077 1.00 0.00 H new ATOM 0 HG SER A 54 -34.630 2.016 4.358 1.00 0.00 H new ATOM 909 N ALA A 55 -35.805 0.820 0.296 1.00 0.00 N ATOM 910 CA ALA A 55 -37.159 0.800 -0.322 1.00 0.00 C ATOM 911 C ALA A 55 -37.336 -0.486 -1.133 1.00 0.00 C ATOM 912 O ALA A 55 -38.413 -1.044 -1.205 1.00 0.00 O ATOM 913 CB ALA A 55 -37.198 2.024 -1.237 1.00 0.00 C ATOM 0 H ALA A 55 -35.170 1.528 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 55 -37.958 0.827 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -38.168 2.079 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -37.041 2.926 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -36.413 1.942 -1.989 1.00 0.00 H new ATOM 919 N ALA A 56 -36.282 -0.964 -1.740 1.00 0.00 N ATOM 920 CA ALA A 56 -36.390 -2.216 -2.541 1.00 0.00 C ATOM 921 C ALA A 56 -36.544 -3.420 -1.609 1.00 0.00 C ATOM 922 O ALA A 56 -37.489 -4.177 -1.708 1.00 0.00 O ATOM 923 CB ALA A 56 -35.078 -2.304 -3.321 1.00 0.00 C ATOM 0 H ALA A 56 -35.354 -0.542 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 56 -37.255 -2.212 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -35.081 -3.203 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -34.975 -1.427 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -34.242 -2.345 -2.623 1.00 0.00 H new ATOM 929 N PHE A 57 -35.625 -3.600 -0.699 1.00 0.00 N ATOM 930 CA PHE A 57 -35.727 -4.753 0.240 1.00 0.00 C ATOM 931 C PHE A 57 -37.065 -4.703 0.981 1.00 0.00 C ATOM 932 O PHE A 57 -37.600 -5.716 1.387 1.00 0.00 O ATOM 933 CB PHE A 57 -34.564 -4.578 1.218 1.00 0.00 C ATOM 934 CG PHE A 57 -33.410 -5.451 0.789 1.00 0.00 C ATOM 935 CD1 PHE A 57 -33.569 -6.841 0.725 1.00 0.00 C ATOM 936 CD2 PHE A 57 -32.179 -4.872 0.456 1.00 0.00 C ATOM 937 CE1 PHE A 57 -32.498 -7.651 0.328 1.00 0.00 C ATOM 938 CE2 PHE A 57 -31.109 -5.682 0.058 1.00 0.00 C ATOM 939 CZ PHE A 57 -31.268 -7.071 -0.006 1.00 0.00 C ATOM 0 H PHE A 57 -34.811 -3.000 -0.566 1.00 0.00 H new ATOM 0 HA PHE A 57 -35.679 -5.713 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -34.253 -3.534 1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -34.880 -4.844 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -34.518 -7.288 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -32.055 -3.800 0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -32.621 -8.723 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -30.160 -5.235 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 57 -30.442 -7.696 -0.313 1.00 0.00 H new ATOM 949 N TYR A 58 -37.610 -3.530 1.158 1.00 0.00 N ATOM 950 CA TYR A 58 -38.915 -3.413 1.869 1.00 0.00 C ATOM 951 C TYR A 58 -40.071 -3.514 0.870 1.00 0.00 C ATOM 952 O TYR A 58 -41.204 -3.752 1.238 1.00 0.00 O ATOM 953 CB TYR A 58 -38.888 -2.030 2.521 1.00 0.00 C ATOM 954 CG TYR A 58 -40.249 -1.719 3.097 1.00 0.00 C ATOM 955 CD1 TYR A 58 -40.645 -2.300 4.308 1.00 0.00 C ATOM 956 CD2 TYR A 58 -41.113 -0.849 2.422 1.00 0.00 C ATOM 957 CE1 TYR A 58 -41.907 -2.011 4.843 1.00 0.00 C ATOM 958 CE2 TYR A 58 -42.374 -0.560 2.957 1.00 0.00 C ATOM 959 CZ TYR A 58 -42.771 -1.141 4.167 1.00 0.00 C ATOM 960 OH TYR A 58 -44.014 -0.857 4.694 1.00 0.00 O ATOM 0 H TYR A 58 -37.208 -2.648 0.841 1.00 0.00 H new ATOM 0 HA TYR A 58 -39.059 -4.206 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -38.133 -2.001 3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -38.611 -1.275 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -39.978 -2.971 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -40.807 -0.401 1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -42.213 -2.459 5.777 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -43.041 0.111 2.436 1.00 0.00 H new ATOM 0 HH TYR A 58 -44.486 -0.236 4.101 1.00 0.00 H new ATOM 970 N TYR A 59 -39.793 -3.336 -0.394 1.00 0.00 N ATOM 971 CA TYR A 59 -40.877 -3.424 -1.415 1.00 0.00 C ATOM 972 C TYR A 59 -40.470 -4.387 -2.534 1.00 0.00 C ATOM 973 O TYR A 59 -40.474 -4.039 -3.698 1.00 0.00 O ATOM 974 CB TYR A 59 -41.030 -2.003 -1.961 1.00 0.00 C ATOM 975 CG TYR A 59 -42.037 -2.002 -3.086 1.00 0.00 C ATOM 976 CD1 TYR A 59 -43.398 -2.176 -2.808 1.00 0.00 C ATOM 977 CD2 TYR A 59 -41.609 -1.827 -4.408 1.00 0.00 C ATOM 978 CE1 TYR A 59 -44.331 -2.175 -3.851 1.00 0.00 C ATOM 979 CE2 TYR A 59 -42.543 -1.826 -5.451 1.00 0.00 C ATOM 980 CZ TYR A 59 -43.904 -2.000 -5.173 1.00 0.00 C ATOM 981 OH TYR A 59 -44.824 -1.998 -6.201 1.00 0.00 O ATOM 0 H TYR A 59 -38.864 -3.134 -0.763 1.00 0.00 H new ATOM 0 HA TYR A 59 -41.810 -3.799 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -41.355 -1.330 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -40.069 -1.634 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -43.728 -2.311 -1.789 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -40.559 -1.693 -4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -45.381 -2.309 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -42.213 -1.691 -6.471 1.00 0.00 H new ATOM 0 HH TYR A 59 -44.361 -1.864 -7.054 1.00 0.00 H new ATOM 991 N ARG A 60 -40.119 -5.596 -2.190 1.00 0.00 N ATOM 992 CA ARG A 60 -39.713 -6.580 -3.234 1.00 0.00 C ATOM 993 C ARG A 60 -40.819 -6.726 -4.283 1.00 0.00 C ATOM 994 O ARG A 60 -41.987 -6.555 -3.995 1.00 0.00 O ATOM 995 CB ARG A 60 -39.512 -7.894 -2.479 1.00 0.00 C ATOM 996 CG ARG A 60 -38.233 -7.813 -1.643 1.00 0.00 C ATOM 997 CD ARG A 60 -37.811 -9.221 -1.217 1.00 0.00 C ATOM 998 NE ARG A 60 -38.913 -9.703 -0.339 1.00 0.00 N ATOM 999 CZ ARG A 60 -39.293 -8.987 0.683 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -38.417 -8.292 1.356 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -40.551 -8.965 1.033 1.00 0.00 N ATOM 0 H ARG A 60 -40.096 -5.945 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 60 -38.812 -6.272 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -40.369 -8.090 -1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -39.447 -8.724 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -37.437 -7.343 -2.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -38.399 -7.190 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -37.681 -9.873 -2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -36.860 -9.204 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 60 -39.371 -10.593 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -37.434 -8.308 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -38.715 -7.732 2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -41.236 -9.508 0.507 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -40.848 -8.405 1.832 1.00 0.00 H new ATOM 1015 N VAL A 61 -40.460 -7.042 -5.497 1.00 0.00 N ATOM 1016 CA VAL A 61 -41.492 -7.198 -6.562 1.00 0.00 C ATOM 1017 C VAL A 61 -41.285 -8.528 -7.297 1.00 0.00 C ATOM 1018 O VAL A 61 -40.216 -8.714 -7.856 1.00 0.00 O ATOM 1019 CB VAL A 61 -41.270 -6.000 -7.499 1.00 0.00 C ATOM 1020 CG1 VAL A 61 -41.717 -6.335 -8.930 1.00 0.00 C ATOM 1021 CG2 VAL A 61 -42.077 -4.805 -6.987 1.00 0.00 C ATOM 1022 OXT VAL A 61 -42.198 -9.337 -7.286 1.00 0.00 O ATOM 0 H VAL A 61 -39.498 -7.199 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 61 -42.509 -7.216 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 61 -40.207 -5.761 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -41.550 -5.472 -9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -41.141 -7.183 -9.302 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -42.777 -6.588 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -41.923 -3.952 -7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -43.136 -5.063 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -41.747 -4.548 -5.980 1.00 0.00 H new TER 1032 VAL A 61