USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 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 38 TYR OH : rot 150:sc= 0.44 USER MOD Set 1.2: A 40 SER OG : rot -151:sc= 2.3 USER MOD Set 2.1: A 35 GLN : amide:sc= -4.68! C(o=-4.7!,f=-6.8!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 1.01 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 170:sc= -1.07 (180deg=-1.53) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 0.107 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -122:sc= 0.0103 USER MOD Single : A 20 THR OG1 : rot -44:sc= 0.00119 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.2!) USER MOD Single : A 31 LYS NZ :NH3+ -124:sc= -0.614 (180deg=-1.78) USER MOD Single : A 33 THR OG1 : rot 157:sc= 0.323 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0413 (180deg=-0.328) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 23:sc= 0.5 USER MOD Single : A 45 HIS : no HE2:sc= -2.19! C(o=-2.2!,f=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -3.76 K(o=-3.8,f=-1.7) USER MOD Single : A 60 CYS SG : rot -51:sc= 0.295 USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.801 USER MOD Single : A 63 ASN : amide:sc= -1.95! K(o=-1.9!,f=-2.5) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.31! C(o=-6.3!,f=-8.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 74 GLN : amide:sc=-0.000684 X(o=-0.00068,f=-0.14) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 140:sc= -0.947 USER MOD Single : A 87 CYS SG : rot -155:sc= -4.83! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= -0.0127 (180deg=-0.192) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.457 -17.764 15.693 1.00 0.00 N ATOM 2 CA GLY A 1 -7.446 -19.215 15.659 1.00 0.00 C ATOM 3 C GLY A 1 -7.243 -19.760 14.260 1.00 0.00 C ATOM 4 O GLY A 1 -6.155 -20.226 13.919 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.599 -17.441 16.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.550 -17.402 15.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.231 -17.409 15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.652 -19.585 16.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.387 -19.592 16.060 1.00 0.00 H new ATOM 8 N SER A 2 -8.293 -19.704 13.446 1.00 0.00 N ATOM 9 CA SER A 2 -8.226 -20.202 12.077 1.00 0.00 C ATOM 10 C SER A 2 -7.142 -19.475 11.287 1.00 0.00 C ATOM 11 O SER A 2 -7.193 -18.257 11.118 1.00 0.00 O ATOM 12 CB SER A 2 -9.579 -20.032 11.384 1.00 0.00 C ATOM 13 OG SER A 2 -10.496 -21.028 11.803 1.00 0.00 O ATOM 0 H SER A 2 -9.200 -19.319 13.711 1.00 0.00 H new ATOM 0 HA SER A 2 -7.975 -21.262 12.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.983 -19.044 11.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.447 -20.086 10.303 1.00 0.00 H new ATOM 0 HG SER A 2 -11.353 -20.896 11.347 1.00 0.00 H new ATOM 19 N SER A 3 -6.161 -20.232 10.806 1.00 0.00 N ATOM 20 CA SER A 3 -5.062 -19.661 10.036 1.00 0.00 C ATOM 21 C SER A 3 -5.046 -20.218 8.616 1.00 0.00 C ATOM 22 O SER A 3 -5.738 -21.187 8.309 1.00 0.00 O ATOM 23 CB SER A 3 -3.726 -19.949 10.724 1.00 0.00 C ATOM 24 OG SER A 3 -3.517 -21.343 10.868 1.00 0.00 O ATOM 0 H SER A 3 -6.105 -21.242 10.936 1.00 0.00 H new ATOM 0 HA SER A 3 -5.210 -18.582 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.913 -19.514 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.708 -19.472 11.704 1.00 0.00 H new ATOM 0 HG SER A 3 -2.656 -21.501 11.309 1.00 0.00 H new ATOM 30 N GLY A 4 -4.249 -19.596 7.752 1.00 0.00 N ATOM 31 CA GLY A 4 -4.156 -20.043 6.374 1.00 0.00 C ATOM 32 C GLY A 4 -2.840 -19.658 5.727 1.00 0.00 C ATOM 33 O GLY A 4 -2.821 -19.073 4.645 1.00 0.00 O ATOM 0 H GLY A 4 -3.666 -18.791 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.272 -21.126 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.978 -19.615 5.800 1.00 0.00 H new ATOM 37 N SER A 5 -1.738 -19.986 6.393 1.00 0.00 N ATOM 38 CA SER A 5 -0.411 -19.666 5.879 1.00 0.00 C ATOM 39 C SER A 5 -0.045 -20.582 4.714 1.00 0.00 C ATOM 40 O SER A 5 0.215 -21.770 4.902 1.00 0.00 O ATOM 41 CB SER A 5 0.634 -19.792 6.989 1.00 0.00 C ATOM 42 OG SER A 5 0.777 -21.140 7.404 1.00 0.00 O ATOM 0 H SER A 5 -1.737 -20.473 7.289 1.00 0.00 H new ATOM 0 HA SER A 5 -0.426 -18.637 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.593 -19.414 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.342 -19.175 7.839 1.00 0.00 H new ATOM 0 HG SER A 5 0.729 -21.730 6.623 1.00 0.00 H new ATOM 48 N SER A 6 -0.026 -20.019 3.510 1.00 0.00 N ATOM 49 CA SER A 6 0.304 -20.784 2.313 1.00 0.00 C ATOM 50 C SER A 6 1.679 -20.391 1.780 1.00 0.00 C ATOM 51 O SER A 6 1.870 -20.244 0.574 1.00 0.00 O ATOM 52 CB SER A 6 -0.757 -20.564 1.233 1.00 0.00 C ATOM 53 OG SER A 6 -0.849 -19.195 0.880 1.00 0.00 O ATOM 0 H SER A 6 -0.235 -19.036 3.338 1.00 0.00 H new ATOM 0 HA SER A 6 0.325 -21.840 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.510 -21.154 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.724 -20.916 1.592 1.00 0.00 H new ATOM 0 HG SER A 6 -1.533 -19.081 0.187 1.00 0.00 H new ATOM 59 N GLY A 7 2.634 -20.222 2.690 1.00 0.00 N ATOM 60 CA GLY A 7 3.978 -19.847 2.293 1.00 0.00 C ATOM 61 C GLY A 7 3.991 -18.912 1.100 1.00 0.00 C ATOM 62 O GLY A 7 4.113 -19.353 -0.043 1.00 0.00 O ATOM 0 H GLY A 7 2.500 -20.338 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.481 -19.367 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.546 -20.745 2.053 1.00 0.00 H new ATOM 66 N LYS A 8 3.864 -17.616 1.365 1.00 0.00 N ATOM 67 CA LYS A 8 3.861 -16.615 0.305 1.00 0.00 C ATOM 68 C LYS A 8 4.806 -15.465 0.640 1.00 0.00 C ATOM 69 O LYS A 8 4.387 -14.443 1.182 1.00 0.00 O ATOM 70 CB LYS A 8 2.445 -16.078 0.087 1.00 0.00 C ATOM 71 CG LYS A 8 1.512 -17.075 -0.579 1.00 0.00 C ATOM 72 CD LYS A 8 1.708 -17.102 -2.085 1.00 0.00 C ATOM 73 CE LYS A 8 0.655 -17.960 -2.769 1.00 0.00 C ATOM 74 NZ LYS A 8 0.913 -18.097 -4.229 1.00 0.00 N ATOM 0 H LYS A 8 3.762 -17.234 2.305 1.00 0.00 H new ATOM 0 HA LYS A 8 4.208 -17.092 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.024 -15.786 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.497 -15.177 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.689 -18.070 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.478 -16.816 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.662 -16.086 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.700 -17.488 -2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.637 -18.948 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.330 -17.519 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.173 -18.689 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.905 -17.156 -4.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.841 -18.542 -4.377 1.00 0.00 H new ATOM 88 N ALA A 9 6.082 -15.640 0.314 1.00 0.00 N ATOM 89 CA ALA A 9 7.085 -14.616 0.577 1.00 0.00 C ATOM 90 C ALA A 9 6.738 -13.312 -0.133 1.00 0.00 C ATOM 91 O ALA A 9 6.789 -12.236 0.464 1.00 0.00 O ATOM 92 CB ALA A 9 8.462 -15.102 0.148 1.00 0.00 C ATOM 0 H ALA A 9 6.446 -16.482 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 9 7.098 -14.423 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.201 -14.327 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.720 -16.003 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.453 -15.325 -0.919 1.00 0.00 H new ATOM 98 N PHE A 10 6.386 -13.415 -1.410 1.00 0.00 N ATOM 99 CA PHE A 10 6.031 -12.243 -2.202 1.00 0.00 C ATOM 100 C PHE A 10 5.312 -11.205 -1.346 1.00 0.00 C ATOM 101 O PHE A 10 5.589 -10.008 -1.436 1.00 0.00 O ATOM 102 CB PHE A 10 5.147 -12.647 -3.383 1.00 0.00 C ATOM 103 CG PHE A 10 5.064 -11.600 -4.456 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.421 -10.396 -4.219 1.00 0.00 C ATOM 105 CD2 PHE A 10 5.629 -11.820 -5.703 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.343 -9.429 -5.205 1.00 0.00 C ATOM 107 CE2 PHE A 10 5.554 -10.857 -6.691 1.00 0.00 C ATOM 108 CZ PHE A 10 4.910 -9.661 -6.443 1.00 0.00 C ATOM 0 H PHE A 10 6.339 -14.298 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 10 6.952 -11.800 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.533 -13.570 -3.816 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.143 -12.862 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.975 -10.210 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.133 -12.754 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.840 -8.494 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.999 -11.040 -7.658 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.850 -8.909 -7.215 1.00 0.00 H new ATOM 118 N LEU A 11 4.386 -11.671 -0.515 1.00 0.00 N ATOM 119 CA LEU A 11 3.624 -10.784 0.358 1.00 0.00 C ATOM 120 C LEU A 11 4.399 -10.483 1.637 1.00 0.00 C ATOM 121 O LEU A 11 4.523 -9.328 2.040 1.00 0.00 O ATOM 122 CB LEU A 11 2.273 -11.413 0.702 1.00 0.00 C ATOM 123 CG LEU A 11 1.150 -11.185 -0.310 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.003 -12.153 -0.062 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.658 -9.746 -0.247 1.00 0.00 C ATOM 0 H LEU A 11 4.145 -12.658 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 11 3.456 -9.847 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.415 -12.487 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.949 -11.025 1.668 1.00 0.00 H new ATOM 0 HG LEU A 11 1.545 -11.369 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.787 -11.976 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.364 -13.177 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.391 -12.001 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.141 -9.603 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.281 -9.534 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.482 -9.070 -0.475 1.00 0.00 H new ATOM 137 N GLU A 12 4.919 -11.531 2.269 1.00 0.00 N ATOM 138 CA GLU A 12 5.682 -11.378 3.501 1.00 0.00 C ATOM 139 C GLU A 12 6.687 -10.236 3.380 1.00 0.00 C ATOM 140 O GLU A 12 6.788 -9.387 4.266 1.00 0.00 O ATOM 141 CB GLU A 12 6.411 -12.679 3.841 1.00 0.00 C ATOM 142 CG GLU A 12 5.478 -13.830 4.177 1.00 0.00 C ATOM 143 CD GLU A 12 4.835 -13.681 5.542 1.00 0.00 C ATOM 144 OE1 GLU A 12 4.061 -12.719 5.730 1.00 0.00 O ATOM 145 OE2 GLU A 12 5.105 -14.524 6.422 1.00 0.00 O ATOM 0 H GLU A 12 4.825 -12.495 1.948 1.00 0.00 H new ATOM 0 HA GLU A 12 4.983 -11.141 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.038 -12.965 2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.076 -12.503 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.699 -13.894 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.035 -14.766 4.142 1.00 0.00 H new ATOM 152 N ASP A 13 7.428 -10.222 2.278 1.00 0.00 N ATOM 153 CA ASP A 13 8.425 -9.185 2.040 1.00 0.00 C ATOM 154 C ASP A 13 7.756 -7.852 1.718 1.00 0.00 C ATOM 155 O ASP A 13 8.125 -6.814 2.267 1.00 0.00 O ATOM 156 CB ASP A 13 9.353 -9.593 0.894 1.00 0.00 C ATOM 157 CG ASP A 13 10.500 -10.468 1.362 1.00 0.00 C ATOM 158 OD1 ASP A 13 10.234 -11.595 1.830 1.00 0.00 O ATOM 159 OD2 ASP A 13 11.663 -10.026 1.258 1.00 0.00 O ATOM 0 H ASP A 13 7.357 -10.917 1.535 1.00 0.00 H new ATOM 0 HA ASP A 13 9.014 -9.066 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.778 -10.127 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.753 -8.698 0.418 1.00 0.00 H new ATOM 164 N MET A 14 6.772 -7.889 0.826 1.00 0.00 N ATOM 165 CA MET A 14 6.052 -6.684 0.432 1.00 0.00 C ATOM 166 C MET A 14 5.617 -5.886 1.657 1.00 0.00 C ATOM 167 O MET A 14 5.590 -4.656 1.632 1.00 0.00 O ATOM 168 CB MET A 14 4.831 -7.047 -0.415 1.00 0.00 C ATOM 169 CG MET A 14 3.869 -5.889 -0.621 1.00 0.00 C ATOM 170 SD MET A 14 2.231 -6.432 -1.144 1.00 0.00 S ATOM 171 CE MET A 14 1.414 -6.615 0.440 1.00 0.00 C ATOM 0 H MET A 14 6.455 -8.740 0.362 1.00 0.00 H new ATOM 0 HA MET A 14 6.726 -6.066 -0.162 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.167 -7.407 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.299 -7.870 0.063 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.781 -5.325 0.308 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.279 -5.210 -1.369 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.347 -6.773 0.283 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.833 -7.471 0.969 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.564 -5.713 1.033 1.00 0.00 H new ATOM 181 N LYS A 15 5.276 -6.594 2.728 1.00 0.00 N ATOM 182 CA LYS A 15 4.843 -5.953 3.964 1.00 0.00 C ATOM 183 C LYS A 15 6.017 -5.284 4.671 1.00 0.00 C ATOM 184 O LYS A 15 6.093 -4.057 4.747 1.00 0.00 O ATOM 185 CB LYS A 15 4.192 -6.979 4.894 1.00 0.00 C ATOM 186 CG LYS A 15 3.020 -7.712 4.265 1.00 0.00 C ATOM 187 CD LYS A 15 2.832 -9.091 4.876 1.00 0.00 C ATOM 188 CE LYS A 15 2.313 -9.002 6.303 1.00 0.00 C ATOM 189 NZ LYS A 15 2.190 -10.346 6.933 1.00 0.00 N ATOM 0 H LYS A 15 5.291 -7.613 2.765 1.00 0.00 H new ATOM 0 HA LYS A 15 4.111 -5.187 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.943 -7.707 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.851 -6.473 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.110 -7.127 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.183 -7.808 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.134 -9.667 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.781 -9.627 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.986 -8.383 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.341 -8.509 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.453 -10.284 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.208 -10.679 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.823 -11.015 6.450 1.00 0.00 H new ATOM 203 N LYS A 16 6.933 -6.097 5.186 1.00 0.00 N ATOM 204 CA LYS A 16 8.106 -5.585 5.884 1.00 0.00 C ATOM 205 C LYS A 16 8.665 -4.354 5.178 1.00 0.00 C ATOM 206 O LYS A 16 9.311 -3.509 5.800 1.00 0.00 O ATOM 207 CB LYS A 16 9.185 -6.667 5.974 1.00 0.00 C ATOM 208 CG LYS A 16 10.148 -6.665 4.800 1.00 0.00 C ATOM 209 CD LYS A 16 10.777 -8.033 4.593 1.00 0.00 C ATOM 210 CE LYS A 16 11.888 -8.294 5.598 1.00 0.00 C ATOM 211 NZ LYS A 16 12.697 -9.490 5.233 1.00 0.00 N ATOM 0 H LYS A 16 6.885 -7.115 5.133 1.00 0.00 H new ATOM 0 HA LYS A 16 7.802 -5.299 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.749 -6.529 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.704 -7.643 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.619 -6.366 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.930 -5.926 4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.012 -8.804 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.177 -8.101 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.537 -7.420 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.456 -8.437 6.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.444 -9.634 5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.083 -10.328 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.131 -9.344 4.299 1.00 0.00 H new ATOM 225 N TYR A 17 8.412 -4.257 3.878 1.00 0.00 N ATOM 226 CA TYR A 17 8.890 -3.129 3.087 1.00 0.00 C ATOM 227 C TYR A 17 7.878 -1.987 3.099 1.00 0.00 C ATOM 228 O TYR A 17 8.130 -0.925 3.667 1.00 0.00 O ATOM 229 CB TYR A 17 9.165 -3.568 1.648 1.00 0.00 C ATOM 230 CG TYR A 17 9.353 -2.414 0.689 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.595 -1.811 0.532 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.289 -1.926 -0.060 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.772 -0.756 -0.343 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.457 -0.873 -0.938 1.00 0.00 C ATOM 235 CZ TYR A 17 9.700 -0.291 -1.076 1.00 0.00 C ATOM 236 OH TYR A 17 9.870 0.759 -1.948 1.00 0.00 O ATOM 0 H TYR A 17 7.878 -4.946 3.349 1.00 0.00 H new ATOM 0 HA TYR A 17 9.818 -2.772 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.058 -4.192 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.337 -4.187 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.437 -2.173 1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.314 -2.378 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.744 -0.298 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.619 -0.507 -1.513 1.00 0.00 H new ATOM 0 HH TYR A 17 9.259 1.487 -1.707 1.00 0.00 H new ATOM 246 N ALA A 18 6.732 -2.215 2.466 1.00 0.00 N ATOM 247 CA ALA A 18 5.680 -1.208 2.405 1.00 0.00 C ATOM 248 C ALA A 18 5.516 -0.503 3.747 1.00 0.00 C ATOM 249 O ALA A 18 5.098 0.653 3.804 1.00 0.00 O ATOM 250 CB ALA A 18 4.365 -1.844 1.977 1.00 0.00 C ATOM 0 H ALA A 18 6.509 -3.088 1.988 1.00 0.00 H new ATOM 0 HA ALA A 18 5.968 -0.462 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.588 -1.081 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.483 -2.296 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.081 -2.612 2.697 1.00 0.00 H new ATOM 256 N GLU A 19 5.848 -1.207 4.825 1.00 0.00 N ATOM 257 CA GLU A 19 5.736 -0.647 6.167 1.00 0.00 C ATOM 258 C GLU A 19 6.858 0.351 6.435 1.00 0.00 C ATOM 259 O GLU A 19 6.626 1.558 6.516 1.00 0.00 O ATOM 260 CB GLU A 19 5.769 -1.763 7.213 1.00 0.00 C ATOM 261 CG GLU A 19 5.176 -1.360 8.553 1.00 0.00 C ATOM 262 CD GLU A 19 5.457 -2.374 9.644 1.00 0.00 C ATOM 263 OE1 GLU A 19 6.555 -2.318 10.237 1.00 0.00 O ATOM 264 OE2 GLU A 19 4.579 -3.222 9.907 1.00 0.00 O ATOM 0 H GLU A 19 6.196 -2.165 4.795 1.00 0.00 H new ATOM 0 HA GLU A 19 4.783 -0.122 6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.224 -2.625 6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.801 -2.079 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.581 -0.392 8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.098 -1.236 8.447 1.00 0.00 H new ATOM 271 N THR A 20 8.077 -0.161 6.573 1.00 0.00 N ATOM 272 CA THR A 20 9.236 0.684 6.835 1.00 0.00 C ATOM 273 C THR A 20 9.430 1.710 5.724 1.00 0.00 C ATOM 274 O THR A 20 10.228 2.638 5.855 1.00 0.00 O ATOM 275 CB THR A 20 10.521 -0.153 6.975 1.00 0.00 C ATOM 276 OG1 THR A 20 11.478 0.549 7.777 1.00 0.00 O ATOM 277 CG2 THR A 20 11.121 -0.456 5.610 1.00 0.00 C ATOM 0 H THR A 20 8.287 -1.157 6.508 1.00 0.00 H new ATOM 0 HA THR A 20 9.044 1.202 7.775 1.00 0.00 H new ATOM 0 HB THR A 20 10.264 -1.095 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.505 1.490 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.028 -1.048 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.401 -1.015 5.012 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.364 0.478 5.104 1.00 0.00 H new ATOM 285 N PHE A 21 8.694 1.538 4.631 1.00 0.00 N ATOM 286 CA PHE A 21 8.786 2.449 3.496 1.00 0.00 C ATOM 287 C PHE A 21 7.735 3.551 3.598 1.00 0.00 C ATOM 288 O PHE A 21 7.992 4.704 3.247 1.00 0.00 O ATOM 289 CB PHE A 21 8.612 1.683 2.183 1.00 0.00 C ATOM 290 CG PHE A 21 8.288 2.565 1.012 1.00 0.00 C ATOM 291 CD1 PHE A 21 8.924 3.786 0.851 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.348 2.175 0.072 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.627 4.600 -0.225 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.047 2.985 -1.007 1.00 0.00 C ATOM 295 CZ PHE A 21 7.688 4.199 -1.156 1.00 0.00 C ATOM 0 H PHE A 21 8.027 0.776 4.507 1.00 0.00 H new ATOM 0 HA PHE A 21 9.774 2.909 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.528 1.131 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.817 0.947 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.660 4.104 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.844 1.226 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.129 5.550 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.312 2.669 -1.732 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.456 4.834 -1.998 1.00 0.00 H new ATOM 305 N LEU A 22 6.551 3.189 4.079 1.00 0.00 N ATOM 306 CA LEU A 22 5.460 4.146 4.227 1.00 0.00 C ATOM 307 C LEU A 22 5.383 4.666 5.659 1.00 0.00 C ATOM 308 O LEU A 22 4.525 5.486 5.985 1.00 0.00 O ATOM 309 CB LEU A 22 4.131 3.499 3.835 1.00 0.00 C ATOM 310 CG LEU A 22 4.013 3.035 2.382 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.868 2.046 2.229 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.818 4.227 1.456 1.00 0.00 C ATOM 0 H LEU A 22 6.322 2.240 4.373 1.00 0.00 H new ATOM 0 HA LEU A 22 5.656 4.989 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.962 2.640 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.330 4.211 4.034 1.00 0.00 H new ATOM 0 HG LEU A 22 4.940 2.532 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.799 1.727 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.049 1.178 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.933 2.523 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.736 3.878 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.907 4.758 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.671 4.900 1.544 1.00 0.00 H new ATOM 324 N GLU A 23 6.286 4.186 6.507 1.00 0.00 N ATOM 325 CA GLU A 23 6.320 4.604 7.904 1.00 0.00 C ATOM 326 C GLU A 23 6.191 6.120 8.021 1.00 0.00 C ATOM 327 O GLU A 23 5.292 6.643 8.679 1.00 0.00 O ATOM 328 CB GLU A 23 7.617 4.139 8.568 1.00 0.00 C ATOM 329 CG GLU A 23 7.495 2.796 9.268 1.00 0.00 C ATOM 330 CD GLU A 23 8.689 2.487 10.150 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.826 2.801 9.741 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.486 1.930 11.249 1.00 0.00 O ATOM 0 H GLU A 23 7.004 3.508 6.252 1.00 0.00 H new ATOM 0 HA GLU A 23 5.474 4.144 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.400 4.075 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.934 4.889 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.589 2.787 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.387 2.010 8.521 1.00 0.00 H new ATOM 339 N PRO A 24 7.113 6.844 7.368 1.00 0.00 N ATOM 340 CA PRO A 24 7.125 8.310 7.383 1.00 0.00 C ATOM 341 C PRO A 24 5.960 8.907 6.601 1.00 0.00 C ATOM 342 O PRO A 24 5.748 10.119 6.615 1.00 0.00 O ATOM 343 CB PRO A 24 8.455 8.660 6.712 1.00 0.00 C ATOM 344 CG PRO A 24 8.763 7.488 5.846 1.00 0.00 C ATOM 345 CD PRO A 24 8.214 6.287 6.564 1.00 0.00 C ATOM 0 HA PRO A 24 7.023 8.709 8.392 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.374 9.575 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.240 8.824 7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.305 7.598 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.837 7.391 5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.858 5.529 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.970 5.813 7.191 1.00 0.00 H new ATOM 353 N TRP A 25 5.208 8.049 5.921 1.00 0.00 N ATOM 354 CA TRP A 25 4.064 8.493 5.133 1.00 0.00 C ATOM 355 C TRP A 25 2.754 8.128 5.823 1.00 0.00 C ATOM 356 O TRP A 25 1.707 8.709 5.536 1.00 0.00 O ATOM 357 CB TRP A 25 4.109 7.872 3.736 1.00 0.00 C ATOM 358 CG TRP A 25 4.840 8.715 2.735 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.344 9.784 2.046 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.198 8.556 2.311 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.312 10.300 1.218 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.459 9.565 1.363 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.220 7.662 2.641 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.698 9.701 0.743 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.449 7.798 2.024 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.680 8.812 1.084 1.00 0.00 C ATOM 0 H TRP A 25 5.370 7.042 5.899 1.00 0.00 H new ATOM 0 HA TRP A 25 4.116 9.578 5.042 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.588 6.895 3.796 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.090 7.707 3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.339 10.168 2.138 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.195 11.100 0.596 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.052 6.879 3.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.878 10.481 0.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.245 7.111 2.270 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.652 8.893 0.620 1.00 0.00 H new ATOM 377 N PHE A 26 2.818 7.162 6.734 1.00 0.00 N ATOM 378 CA PHE A 26 1.636 6.720 7.464 1.00 0.00 C ATOM 379 C PHE A 26 1.897 6.714 8.968 1.00 0.00 C ATOM 380 O PHE A 26 1.062 7.158 9.756 1.00 0.00 O ATOM 381 CB PHE A 26 1.218 5.323 7.001 1.00 0.00 C ATOM 382 CG PHE A 26 0.488 5.319 5.689 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.535 6.222 5.448 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.824 4.413 4.696 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.209 6.222 4.241 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.154 4.408 3.488 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.864 5.313 3.260 1.00 0.00 C ATOM 0 H PHE A 26 3.676 6.671 6.984 1.00 0.00 H new ATOM 0 HA PHE A 26 0.827 7.421 7.256 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.106 4.697 6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.582 4.872 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.809 6.934 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.619 3.703 4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.004 6.932 4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.426 3.697 2.722 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.389 5.310 2.316 1.00 0.00 H new ATOM 397 N LYS A 27 3.061 6.206 9.358 1.00 0.00 N ATOM 398 CA LYS A 27 3.434 6.141 10.766 1.00 0.00 C ATOM 399 C LYS A 27 3.856 7.513 11.281 1.00 0.00 C ATOM 400 O LYS A 27 4.609 8.229 10.621 1.00 0.00 O ATOM 401 CB LYS A 27 4.571 5.137 10.968 1.00 0.00 C ATOM 402 CG LYS A 27 4.736 4.686 12.409 1.00 0.00 C ATOM 403 CD LYS A 27 6.020 3.897 12.603 1.00 0.00 C ATOM 404 CE LYS A 27 6.538 4.018 14.028 1.00 0.00 C ATOM 405 NZ LYS A 27 5.658 3.311 15.000 1.00 0.00 N ATOM 0 H LYS A 27 3.763 5.833 8.718 1.00 0.00 H new ATOM 0 HA LYS A 27 2.562 5.812 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.389 4.264 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.505 5.585 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.740 5.556 13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.883 4.072 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.843 2.848 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.778 4.257 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.546 3.606 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.608 5.071 14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.045 3.417 15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.703 3.720 14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.611 2.301 14.755 1.00 0.00 H new ATOM 419 N ALA A 28 3.368 7.873 12.463 1.00 0.00 N ATOM 420 CA ALA A 28 3.698 9.158 13.068 1.00 0.00 C ATOM 421 C ALA A 28 5.176 9.486 12.887 1.00 0.00 C ATOM 422 O ALA A 28 6.009 8.606 12.667 1.00 0.00 O ATOM 423 CB ALA A 28 3.332 9.156 14.545 1.00 0.00 C ATOM 0 H ALA A 28 2.742 7.293 13.021 1.00 0.00 H new ATOM 0 HA ALA A 28 3.117 9.930 12.563 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.584 10.122 14.984 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.263 8.976 14.655 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.887 8.369 15.056 1.00 0.00 H new ATOM 429 N PRO A 29 5.511 10.781 12.981 1.00 0.00 N ATOM 430 CA PRO A 29 4.528 11.836 13.242 1.00 0.00 C ATOM 431 C PRO A 29 3.593 12.063 12.059 1.00 0.00 C ATOM 432 O PRO A 29 2.675 12.879 12.129 1.00 0.00 O ATOM 433 CB PRO A 29 5.393 13.075 13.485 1.00 0.00 C ATOM 434 CG PRO A 29 6.661 12.801 12.753 1.00 0.00 C ATOM 435 CD PRO A 29 6.876 11.315 12.839 1.00 0.00 C ATOM 0 HA PRO A 29 3.874 11.586 14.077 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.907 13.976 13.112 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.575 13.228 14.549 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.590 13.126 11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.495 13.342 13.200 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.368 10.928 11.947 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.503 11.048 13.690 1.00 0.00 H new ATOM 443 N ASN A 30 3.833 11.335 10.973 1.00 0.00 N ATOM 444 CA ASN A 30 3.011 11.457 9.774 1.00 0.00 C ATOM 445 C ASN A 30 1.704 10.685 9.929 1.00 0.00 C ATOM 446 O ASN A 30 1.647 9.673 10.627 1.00 0.00 O ATOM 447 CB ASN A 30 3.777 10.945 8.552 1.00 0.00 C ATOM 448 CG ASN A 30 4.682 12.003 7.953 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.453 12.473 6.838 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.718 12.383 8.691 1.00 0.00 N ATOM 0 H ASN A 30 4.589 10.655 10.898 1.00 0.00 H new ATOM 0 HA ASN A 30 2.774 12.511 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.374 10.079 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.067 10.608 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.362 13.091 8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.870 11.967 9.610 1.00 0.00 H new ATOM 457 N LYS A 31 0.656 11.171 9.273 1.00 0.00 N ATOM 458 CA LYS A 31 -0.651 10.527 9.335 1.00 0.00 C ATOM 459 C LYS A 31 -1.634 11.198 8.380 1.00 0.00 C ATOM 460 O LYS A 31 -1.383 12.297 7.887 1.00 0.00 O ATOM 461 CB LYS A 31 -1.199 10.575 10.763 1.00 0.00 C ATOM 462 CG LYS A 31 -1.083 11.942 11.414 1.00 0.00 C ATOM 463 CD LYS A 31 -2.120 12.129 12.508 1.00 0.00 C ATOM 464 CE LYS A 31 -3.464 12.552 11.936 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.467 12.810 13.007 1.00 0.00 N ATOM 0 H LYS A 31 0.686 12.009 8.692 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.530 9.487 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.247 10.275 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.666 9.845 11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.084 12.062 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.207 12.718 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.236 11.198 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.772 12.881 13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.336 13.452 11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.836 11.774 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.307 12.218 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.053 12.580 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.742 13.813 12.991 1.00 0.00 H new ATOM 479 N GLY A 32 -2.754 10.529 8.125 1.00 0.00 N ATOM 480 CA GLY A 32 -3.758 11.077 7.231 1.00 0.00 C ATOM 481 C GLY A 32 -4.508 10.000 6.472 1.00 0.00 C ATOM 482 O GLY A 32 -4.639 8.872 6.946 1.00 0.00 O ATOM 0 H GLY A 32 -2.984 9.618 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.467 11.672 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.279 11.751 6.521 1.00 0.00 H new ATOM 486 N THR A 33 -5.004 10.349 5.289 1.00 0.00 N ATOM 487 CA THR A 33 -5.747 9.405 4.463 1.00 0.00 C ATOM 488 C THR A 33 -4.918 8.948 3.269 1.00 0.00 C ATOM 489 O THR A 33 -3.848 9.493 2.997 1.00 0.00 O ATOM 490 CB THR A 33 -7.064 10.021 3.954 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.809 11.296 3.354 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.062 10.180 5.091 1.00 0.00 C ATOM 0 H THR A 33 -4.905 11.279 4.881 1.00 0.00 H new ATOM 0 HA THR A 33 -5.976 8.545 5.093 1.00 0.00 H new ATOM 0 HB THR A 33 -7.490 9.349 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.531 11.513 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.984 10.617 4.707 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.276 9.204 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.642 10.833 5.855 1.00 0.00 H new ATOM 500 N PHE A 34 -5.419 7.944 2.557 1.00 0.00 N ATOM 501 CA PHE A 34 -4.724 7.412 1.390 1.00 0.00 C ATOM 502 C PHE A 34 -5.633 6.483 0.592 1.00 0.00 C ATOM 503 O PHE A 34 -6.674 6.047 1.081 1.00 0.00 O ATOM 504 CB PHE A 34 -3.461 6.663 1.820 1.00 0.00 C ATOM 505 CG PHE A 34 -3.725 5.559 2.803 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.087 5.847 4.109 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.610 4.231 2.422 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.331 4.834 5.017 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.853 3.213 3.325 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.213 3.515 4.624 1.00 0.00 C ATOM 0 H PHE A 34 -6.304 7.482 2.768 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.442 8.250 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.978 6.245 0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.760 7.372 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.180 6.877 4.422 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.327 3.989 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.613 5.073 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.761 2.182 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.402 2.721 5.331 1.00 0.00 H new ATOM 520 N GLN A 35 -5.231 6.186 -0.640 1.00 0.00 N ATOM 521 CA GLN A 35 -6.010 5.310 -1.507 1.00 0.00 C ATOM 522 C GLN A 35 -5.107 4.314 -2.228 1.00 0.00 C ATOM 523 O GLN A 35 -4.248 4.702 -3.020 1.00 0.00 O ATOM 524 CB GLN A 35 -6.796 6.136 -2.528 1.00 0.00 C ATOM 525 CG GLN A 35 -5.939 7.127 -3.298 1.00 0.00 C ATOM 526 CD GLN A 35 -6.701 7.814 -4.414 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.698 9.041 -4.519 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.360 7.025 -5.255 1.00 0.00 N ATOM 0 H GLN A 35 -4.371 6.539 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.710 4.753 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.279 5.461 -3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.588 6.678 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.553 7.879 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.078 6.607 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.335 6.013 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.891 7.431 -6.025 1.00 0.00 H new ATOM 537 N ILE A 36 -5.308 3.031 -1.947 1.00 0.00 N ATOM 538 CA ILE A 36 -4.512 1.980 -2.569 1.00 0.00 C ATOM 539 C ILE A 36 -5.123 1.541 -3.895 1.00 0.00 C ATOM 540 O ILE A 36 -6.344 1.529 -4.056 1.00 0.00 O ATOM 541 CB ILE A 36 -4.379 0.754 -1.646 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.653 1.137 -0.355 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.643 -0.369 -2.361 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.706 0.063 0.709 1.00 0.00 C ATOM 0 H ILE A 36 -6.015 2.694 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.521 2.398 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.378 0.401 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.611 1.358 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.092 2.052 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.557 -1.229 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.197 -0.656 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.647 -0.028 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.171 0.403 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.745 -0.142 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.240 -0.847 0.331 1.00 0.00 H new ATOM 556 N VAL A 37 -4.266 1.177 -4.844 1.00 0.00 N ATOM 557 CA VAL A 37 -4.720 0.733 -6.156 1.00 0.00 C ATOM 558 C VAL A 37 -3.834 -0.384 -6.696 1.00 0.00 C ATOM 559 O VAL A 37 -2.612 -0.246 -6.758 1.00 0.00 O ATOM 560 CB VAL A 37 -4.736 1.895 -7.167 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.100 1.390 -8.555 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.701 2.981 -6.716 1.00 0.00 C ATOM 0 H VAL A 37 -3.253 1.181 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.735 0.357 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.736 2.326 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.106 2.225 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.366 0.651 -8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.089 0.932 -8.528 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.699 3.794 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.706 2.566 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.390 3.363 -5.743 1.00 0.00 H new ATOM 572 N TYR A 38 -4.458 -1.490 -7.086 1.00 0.00 N ATOM 573 CA TYR A 38 -3.726 -2.632 -7.619 1.00 0.00 C ATOM 574 C TYR A 38 -3.560 -2.516 -9.131 1.00 0.00 C ATOM 575 O TYR A 38 -4.519 -2.674 -9.887 1.00 0.00 O ATOM 576 CB TYR A 38 -4.449 -3.935 -7.273 1.00 0.00 C ATOM 577 CG TYR A 38 -3.841 -5.157 -7.923 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.638 -5.683 -7.469 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.470 -5.785 -8.991 1.00 0.00 C ATOM 580 CE1 TYR A 38 -2.078 -6.799 -8.061 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.918 -6.902 -9.588 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.722 -7.405 -9.119 1.00 0.00 C ATOM 583 OH TYR A 38 -2.169 -8.518 -9.711 1.00 0.00 O ATOM 0 H TYR A 38 -5.469 -1.620 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.736 -2.641 -7.163 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.442 -4.068 -6.191 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.492 -3.853 -7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.132 -5.212 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.406 -5.393 -9.361 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.141 -7.194 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.420 -7.379 -10.417 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.883 -9.088 -10.066 1.00 0.00 H new ATOM 593 N LYS A 39 -2.336 -2.239 -9.566 1.00 0.00 N ATOM 594 CA LYS A 39 -2.041 -2.102 -10.987 1.00 0.00 C ATOM 595 C LYS A 39 -1.117 -3.219 -11.461 1.00 0.00 C ATOM 596 O LYS A 39 0.075 -3.224 -11.154 1.00 0.00 O ATOM 597 CB LYS A 39 -1.399 -0.742 -11.268 1.00 0.00 C ATOM 598 CG LYS A 39 -2.149 0.424 -10.647 1.00 0.00 C ATOM 599 CD LYS A 39 -1.746 1.746 -11.278 1.00 0.00 C ATOM 600 CE LYS A 39 -2.460 1.973 -12.602 1.00 0.00 C ATOM 601 NZ LYS A 39 -3.920 2.202 -12.411 1.00 0.00 N ATOM 0 H LYS A 39 -1.531 -2.105 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.980 -2.173 -11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.376 -0.747 -10.891 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.341 -0.593 -12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.222 0.274 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.951 0.456 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.978 2.562 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.668 1.760 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.021 2.832 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.309 1.109 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.306 2.692 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.402 1.288 -12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.072 2.786 -11.564 1.00 0.00 H new ATOM 615 N SER A 40 -1.674 -4.165 -12.211 1.00 0.00 N ATOM 616 CA SER A 40 -0.900 -5.288 -12.725 1.00 0.00 C ATOM 617 C SER A 40 -1.299 -5.611 -14.162 1.00 0.00 C ATOM 618 O SER A 40 -2.433 -5.365 -14.573 1.00 0.00 O ATOM 619 CB SER A 40 -1.099 -6.520 -11.840 1.00 0.00 C ATOM 620 OG SER A 40 -2.392 -7.073 -12.018 1.00 0.00 O ATOM 0 H SER A 40 -2.659 -4.176 -12.476 1.00 0.00 H new ATOM 0 HA SER A 40 0.153 -5.007 -12.713 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.344 -7.269 -12.079 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.958 -6.247 -10.794 1.00 0.00 H new ATOM 0 HG SER A 40 -2.676 -7.513 -11.190 1.00 0.00 H new ATOM 626 N ARG A 41 -0.358 -6.164 -14.921 1.00 0.00 N ATOM 627 CA ARG A 41 -0.610 -6.519 -16.312 1.00 0.00 C ATOM 628 C ARG A 41 -1.853 -7.395 -16.432 1.00 0.00 C ATOM 629 O ARG A 41 -2.258 -8.051 -15.473 1.00 0.00 O ATOM 630 CB ARG A 41 0.599 -7.248 -16.901 1.00 0.00 C ATOM 631 CG ARG A 41 0.739 -7.079 -18.405 1.00 0.00 C ATOM 632 CD ARG A 41 1.873 -7.928 -18.958 1.00 0.00 C ATOM 633 NE ARG A 41 1.897 -7.925 -20.419 1.00 0.00 N ATOM 634 CZ ARG A 41 0.978 -8.520 -21.170 1.00 0.00 C ATOM 635 NH1 ARG A 41 -0.033 -9.163 -20.602 1.00 0.00 N ATOM 636 NH2 ARG A 41 1.068 -8.473 -22.493 1.00 0.00 N ATOM 0 H ARG A 41 0.585 -6.376 -14.596 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.779 -5.599 -16.871 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.504 -6.882 -16.417 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.521 -8.310 -16.669 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.196 -7.357 -18.892 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.921 -6.030 -18.639 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.824 -7.554 -18.579 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.768 -8.952 -18.599 1.00 0.00 H new ATOM 0 HE ARG A 41 2.662 -7.439 -20.888 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.106 -9.201 -19.585 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.737 -9.619 -21.182 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.844 -7.979 -22.934 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.361 -8.931 -23.069 1.00 0.00 H new ATOM 650 N ASN A 42 -2.455 -7.400 -17.618 1.00 0.00 N ATOM 651 CA ASN A 42 -3.653 -8.195 -17.863 1.00 0.00 C ATOM 652 C ASN A 42 -3.552 -9.556 -17.183 1.00 0.00 C ATOM 653 O ASN A 42 -4.447 -9.958 -16.440 1.00 0.00 O ATOM 654 CB ASN A 42 -3.869 -8.379 -19.367 1.00 0.00 C ATOM 655 CG ASN A 42 -4.579 -7.196 -19.998 1.00 0.00 C ATOM 656 OD1 ASN A 42 -5.764 -6.969 -19.756 1.00 0.00 O ATOM 657 ND2 ASN A 42 -3.855 -6.438 -20.813 1.00 0.00 N ATOM 0 H ASN A 42 -2.133 -6.863 -18.423 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.505 -7.661 -17.442 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.905 -8.523 -19.855 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.452 -9.284 -19.540 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.279 -5.629 -21.268 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.875 -6.664 -20.984 1.00 0.00 H new ATOM 664 N ASN A 43 -2.455 -10.261 -17.442 1.00 0.00 N ATOM 665 CA ASN A 43 -2.237 -11.578 -16.854 1.00 0.00 C ATOM 666 C ASN A 43 -1.827 -11.459 -15.389 1.00 0.00 C ATOM 667 O ASN A 43 -0.662 -11.213 -15.078 1.00 0.00 O ATOM 668 CB ASN A 43 -1.162 -12.337 -17.636 1.00 0.00 C ATOM 669 CG ASN A 43 -1.727 -13.058 -18.844 1.00 0.00 C ATOM 670 OD1 ASN A 43 -1.700 -12.538 -19.960 1.00 0.00 O ATOM 671 ND2 ASN A 43 -2.244 -14.261 -18.627 1.00 0.00 N ATOM 0 H ASN A 43 -1.704 -9.943 -18.054 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.175 -12.132 -16.907 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.391 -11.638 -17.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.680 -13.060 -16.978 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.640 -14.793 -19.402 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.245 -14.653 -17.685 1.00 0.00 H new ATOM 678 N SER A 44 -2.793 -11.636 -14.494 1.00 0.00 N ATOM 679 CA SER A 44 -2.534 -11.545 -13.061 1.00 0.00 C ATOM 680 C SER A 44 -2.097 -12.895 -12.502 1.00 0.00 C ATOM 681 O SER A 44 -2.796 -13.898 -12.651 1.00 0.00 O ATOM 682 CB SER A 44 -3.783 -11.056 -12.326 1.00 0.00 C ATOM 683 OG SER A 44 -4.830 -12.007 -12.410 1.00 0.00 O ATOM 0 H SER A 44 -3.762 -11.843 -14.735 1.00 0.00 H new ATOM 0 HA SER A 44 -1.727 -10.829 -12.907 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.542 -10.867 -11.280 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.113 -10.109 -12.753 1.00 0.00 H new ATOM 0 HG SER A 44 -4.452 -12.895 -12.579 1.00 0.00 H new ATOM 689 N HIS A 45 -0.935 -12.913 -11.857 1.00 0.00 N ATOM 690 CA HIS A 45 -0.403 -14.140 -11.274 1.00 0.00 C ATOM 691 C HIS A 45 -0.647 -14.176 -9.768 1.00 0.00 C ATOM 692 O HIS A 45 -1.114 -15.178 -9.228 1.00 0.00 O ATOM 693 CB HIS A 45 1.093 -14.260 -11.563 1.00 0.00 C ATOM 694 CG HIS A 45 1.858 -13.001 -11.294 1.00 0.00 C ATOM 695 ND1 HIS A 45 2.787 -12.886 -10.281 1.00 0.00 N ATOM 696 CD2 HIS A 45 1.830 -11.798 -11.915 1.00 0.00 C ATOM 697 CE1 HIS A 45 3.295 -11.667 -10.289 1.00 0.00 C ATOM 698 NE2 HIS A 45 2.731 -10.987 -11.271 1.00 0.00 N ATOM 0 H HIS A 45 -0.344 -12.092 -11.725 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.922 -14.984 -11.729 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.508 -15.064 -10.956 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.231 -14.544 -12.606 1.00 0.00 H new ATOM 0 HD1 HIS A 45 3.042 -13.627 -9.628 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.214 -11.527 -12.760 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.044 -11.290 -9.608 1.00 0.00 H new ATOM 706 N VAL A 46 -0.326 -13.075 -9.095 1.00 0.00 N ATOM 707 CA VAL A 46 -0.510 -12.980 -7.652 1.00 0.00 C ATOM 708 C VAL A 46 -1.863 -12.366 -7.310 1.00 0.00 C ATOM 709 O VAL A 46 -2.433 -11.616 -8.101 1.00 0.00 O ATOM 710 CB VAL A 46 0.603 -12.141 -6.998 1.00 0.00 C ATOM 711 CG1 VAL A 46 0.691 -10.769 -7.650 1.00 0.00 C ATOM 712 CG2 VAL A 46 0.365 -12.014 -5.501 1.00 0.00 C ATOM 0 H VAL A 46 0.063 -12.237 -9.527 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.466 -13.996 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 46 1.554 -12.651 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.483 -10.190 -7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.912 -10.884 -8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.259 -10.248 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.161 -11.418 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.594 -11.527 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.357 -13.006 -5.048 1.00 0.00 H new ATOM 722 N ASN A 47 -2.371 -12.689 -6.125 1.00 0.00 N ATOM 723 CA ASN A 47 -3.657 -12.168 -5.677 1.00 0.00 C ATOM 724 C ASN A 47 -3.709 -10.650 -5.819 1.00 0.00 C ATOM 725 O ASN A 47 -2.681 -9.976 -5.763 1.00 0.00 O ATOM 726 CB ASN A 47 -3.913 -12.564 -4.221 1.00 0.00 C ATOM 727 CG ASN A 47 -2.629 -12.689 -3.423 1.00 0.00 C ATOM 728 OD1 ASN A 47 -2.296 -13.766 -2.927 1.00 0.00 O ATOM 729 ND2 ASN A 47 -1.903 -11.586 -3.294 1.00 0.00 N ATOM 0 H ASN A 47 -1.912 -13.309 -5.458 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.434 -12.601 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.558 -11.820 -3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -4.449 -13.513 -4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.030 -11.609 -2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.218 -10.715 -3.722 1.00 0.00 H new ATOM 736 N ARG A 48 -4.914 -10.119 -6.003 1.00 0.00 N ATOM 737 CA ARG A 48 -5.100 -8.681 -6.154 1.00 0.00 C ATOM 738 C ARG A 48 -5.668 -8.069 -4.877 1.00 0.00 C ATOM 739 O ARG A 48 -5.218 -7.015 -4.430 1.00 0.00 O ATOM 740 CB ARG A 48 -6.031 -8.387 -7.331 1.00 0.00 C ATOM 741 CG ARG A 48 -6.629 -6.990 -7.300 1.00 0.00 C ATOM 742 CD ARG A 48 -7.323 -6.651 -8.610 1.00 0.00 C ATOM 743 NE ARG A 48 -8.619 -7.314 -8.731 1.00 0.00 N ATOM 744 CZ ARG A 48 -9.263 -7.465 -9.882 1.00 0.00 C ATOM 745 NH1 ARG A 48 -8.734 -7.003 -11.007 1.00 0.00 N ATOM 746 NH2 ARG A 48 -10.439 -8.080 -9.911 1.00 0.00 N ATOM 0 H ARG A 48 -5.775 -10.663 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.126 -8.232 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.478 -8.516 -8.262 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.839 -9.119 -7.336 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.343 -6.917 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.843 -6.261 -7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.460 -5.572 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.686 -6.945 -9.444 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.053 -7.681 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.830 -6.530 -10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.231 -7.120 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.849 -8.437 -9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.933 -8.195 -10.796 1.00 0.00 H new ATOM 760 N GLU A 49 -6.658 -8.739 -4.296 1.00 0.00 N ATOM 761 CA GLU A 49 -7.288 -8.260 -3.071 1.00 0.00 C ATOM 762 C GLU A 49 -6.321 -8.344 -1.893 1.00 0.00 C ATOM 763 O GLU A 49 -6.069 -7.350 -1.213 1.00 0.00 O ATOM 764 CB GLU A 49 -8.549 -9.072 -2.768 1.00 0.00 C ATOM 765 CG GLU A 49 -9.809 -8.494 -3.390 1.00 0.00 C ATOM 766 CD GLU A 49 -10.944 -9.499 -3.449 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.765 -10.559 -4.084 1.00 0.00 O ATOM 768 OE2 GLU A 49 -12.010 -9.225 -2.860 1.00 0.00 O ATOM 0 H GLU A 49 -7.041 -9.614 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.564 -7.216 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.410 -10.091 -3.129 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.682 -9.132 -1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.128 -7.625 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.585 -8.145 -4.398 1.00 0.00 H new ATOM 775 N GLU A 50 -5.783 -9.537 -1.660 1.00 0.00 N ATOM 776 CA GLU A 50 -4.845 -9.750 -0.564 1.00 0.00 C ATOM 777 C GLU A 50 -3.831 -8.613 -0.487 1.00 0.00 C ATOM 778 O GLU A 50 -3.542 -8.096 0.592 1.00 0.00 O ATOM 779 CB GLU A 50 -4.119 -11.086 -0.738 1.00 0.00 C ATOM 780 CG GLU A 50 -5.016 -12.297 -0.543 1.00 0.00 C ATOM 781 CD GLU A 50 -5.421 -12.496 0.905 1.00 0.00 C ATOM 782 OE1 GLU A 50 -6.405 -11.861 1.338 1.00 0.00 O ATOM 783 OE2 GLU A 50 -4.754 -13.287 1.603 1.00 0.00 O ATOM 0 H GLU A 50 -5.980 -10.370 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.412 -9.771 0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.682 -11.125 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.294 -11.137 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.911 -12.184 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.499 -13.189 -0.898 1.00 0.00 H new ATOM 790 N VAL A 51 -3.293 -8.229 -1.640 1.00 0.00 N ATOM 791 CA VAL A 51 -2.311 -7.153 -1.705 1.00 0.00 C ATOM 792 C VAL A 51 -2.900 -5.840 -1.200 1.00 0.00 C ATOM 793 O VAL A 51 -2.399 -5.252 -0.241 1.00 0.00 O ATOM 794 CB VAL A 51 -1.793 -6.952 -3.141 1.00 0.00 C ATOM 795 CG1 VAL A 51 -1.027 -5.642 -3.254 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.922 -8.126 -3.562 1.00 0.00 C ATOM 0 H VAL A 51 -3.521 -8.647 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.479 -7.445 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.649 -6.904 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.669 -5.517 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.685 -4.812 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.178 -5.657 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.564 -7.967 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.070 -8.208 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.506 -9.045 -3.522 1.00 0.00 H new ATOM 806 N ILE A 52 -3.966 -5.388 -1.851 1.00 0.00 N ATOM 807 CA ILE A 52 -4.624 -4.145 -1.467 1.00 0.00 C ATOM 808 C ILE A 52 -5.067 -4.186 -0.008 1.00 0.00 C ATOM 809 O ILE A 52 -4.521 -3.476 0.837 1.00 0.00 O ATOM 810 CB ILE A 52 -5.849 -3.859 -2.355 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.423 -3.715 -3.818 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.566 -2.604 -1.881 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.580 -3.766 -4.792 1.00 0.00 C ATOM 0 H ILE A 52 -4.392 -5.863 -2.646 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.894 -3.347 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.539 -4.699 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.895 -2.770 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.717 -4.509 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.430 -2.415 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.898 -2.741 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.885 -1.755 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.204 -3.658 -5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.095 -4.722 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.275 -2.955 -4.574 1.00 0.00 H new ATOM 825 N ARG A 53 -6.059 -5.022 0.281 1.00 0.00 N ATOM 826 CA ARG A 53 -6.575 -5.156 1.638 1.00 0.00 C ATOM 827 C ARG A 53 -5.437 -5.153 2.655 1.00 0.00 C ATOM 828 O ARG A 53 -5.367 -4.279 3.518 1.00 0.00 O ATOM 829 CB ARG A 53 -7.389 -6.445 1.772 1.00 0.00 C ATOM 830 CG ARG A 53 -8.863 -6.270 1.449 1.00 0.00 C ATOM 831 CD ARG A 53 -9.062 -5.506 0.149 1.00 0.00 C ATOM 832 NE ARG A 53 -10.467 -5.456 -0.248 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.906 -4.802 -1.317 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.054 -4.146 -2.093 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.199 -4.804 -1.613 1.00 0.00 N ATOM 0 H ARG A 53 -6.521 -5.617 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.222 -4.303 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.968 -7.201 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.291 -6.823 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.339 -7.248 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.354 -5.738 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.681 -4.491 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.479 -5.978 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.148 -5.951 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.059 -4.143 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.394 -3.644 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.857 -5.308 -1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.535 -4.301 -2.434 1.00 0.00 H new ATOM 849 N GLU A 54 -4.549 -6.136 2.546 1.00 0.00 N ATOM 850 CA GLU A 54 -3.416 -6.246 3.457 1.00 0.00 C ATOM 851 C GLU A 54 -2.689 -4.911 3.585 1.00 0.00 C ATOM 852 O GLU A 54 -2.653 -4.311 4.660 1.00 0.00 O ATOM 853 CB GLU A 54 -2.445 -7.323 2.970 1.00 0.00 C ATOM 854 CG GLU A 54 -1.196 -7.450 3.827 1.00 0.00 C ATOM 855 CD GLU A 54 -1.423 -8.292 5.067 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.644 -9.513 4.922 1.00 0.00 O ATOM 857 OE2 GLU A 54 -1.380 -7.732 6.182 1.00 0.00 O ATOM 0 H GLU A 54 -4.592 -6.867 1.836 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.798 -6.528 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.961 -8.283 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.151 -7.098 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.396 -7.892 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.861 -6.456 4.124 1.00 0.00 H new ATOM 864 N LEU A 55 -2.111 -4.451 2.481 1.00 0.00 N ATOM 865 CA LEU A 55 -1.384 -3.186 2.468 1.00 0.00 C ATOM 866 C LEU A 55 -2.075 -2.151 3.350 1.00 0.00 C ATOM 867 O LEU A 55 -1.421 -1.396 4.068 1.00 0.00 O ATOM 868 CB LEU A 55 -1.266 -2.657 1.037 1.00 0.00 C ATOM 869 CG LEU A 55 -0.107 -3.213 0.209 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.415 -3.109 -1.277 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.185 -2.480 0.541 1.00 0.00 C ATOM 0 H LEU A 55 -2.131 -4.935 1.583 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.385 -3.366 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.197 -2.873 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.169 -1.572 1.079 1.00 0.00 H new ATOM 0 HG LEU A 55 0.022 -4.266 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.421 -3.509 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.316 -3.679 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.571 -2.064 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.999 -2.889 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.069 -1.419 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.414 -2.607 1.599 1.00 0.00 H new ATOM 883 N ALA A 56 -3.403 -2.124 3.291 1.00 0.00 N ATOM 884 CA ALA A 56 -4.183 -1.185 4.087 1.00 0.00 C ATOM 885 C ALA A 56 -4.159 -1.565 5.564 1.00 0.00 C ATOM 886 O ALA A 56 -3.931 -0.721 6.429 1.00 0.00 O ATOM 887 CB ALA A 56 -5.616 -1.125 3.579 1.00 0.00 C ATOM 0 H ALA A 56 -3.960 -2.741 2.700 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.731 -0.198 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.187 -0.420 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.620 -0.799 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.069 -2.114 3.651 1.00 0.00 H new ATOM 893 N GLY A 57 -4.398 -2.843 5.845 1.00 0.00 N ATOM 894 CA GLY A 57 -4.400 -3.312 7.219 1.00 0.00 C ATOM 895 C GLY A 57 -3.121 -2.963 7.953 1.00 0.00 C ATOM 896 O GLY A 57 -3.107 -2.871 9.181 1.00 0.00 O ATOM 0 H GLY A 57 -4.590 -3.561 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.248 -2.877 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.538 -4.393 7.230 1.00 0.00 H new ATOM 900 N ILE A 58 -2.043 -2.768 7.200 1.00 0.00 N ATOM 901 CA ILE A 58 -0.753 -2.428 7.787 1.00 0.00 C ATOM 902 C ILE A 58 -0.645 -0.928 8.044 1.00 0.00 C ATOM 903 O ILE A 58 -0.195 -0.500 9.107 1.00 0.00 O ATOM 904 CB ILE A 58 0.412 -2.867 6.881 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.342 -4.373 6.619 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.744 -2.495 7.514 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.449 -4.882 5.722 1.00 0.00 C ATOM 0 H ILE A 58 -2.038 -2.840 6.183 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.687 -2.963 8.734 1.00 0.00 H new ATOM 0 HB ILE A 58 0.328 -2.347 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.385 -4.902 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.620 -4.610 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.558 -2.812 6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.791 -1.415 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.839 -2.991 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.337 -5.957 5.580 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.394 -4.380 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.415 -4.676 6.183 1.00 0.00 H new ATOM 919 N VAL A 59 -1.062 -0.134 7.064 1.00 0.00 N ATOM 920 CA VAL A 59 -1.014 1.318 7.184 1.00 0.00 C ATOM 921 C VAL A 59 -1.610 1.780 8.509 1.00 0.00 C ATOM 922 O VAL A 59 -0.972 2.513 9.266 1.00 0.00 O ATOM 923 CB VAL A 59 -1.769 2.002 6.029 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.815 3.508 6.237 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.124 1.660 4.694 1.00 0.00 C ATOM 0 H VAL A 59 -1.437 -0.472 6.178 1.00 0.00 H new ATOM 0 HA VAL A 59 0.037 1.604 7.142 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.793 1.630 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.352 3.973 5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.326 3.730 7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.799 3.901 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.670 2.152 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.089 2.002 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.150 0.581 4.543 1.00 0.00 H new ATOM 935 N CYS A 60 -2.835 1.346 8.784 1.00 0.00 N ATOM 936 CA CYS A 60 -3.518 1.715 10.019 1.00 0.00 C ATOM 937 C CYS A 60 -2.721 1.261 11.237 1.00 0.00 C ATOM 938 O CYS A 60 -2.654 1.963 12.247 1.00 0.00 O ATOM 939 CB CYS A 60 -4.919 1.102 10.054 1.00 0.00 C ATOM 940 SG CYS A 60 -6.142 2.000 9.069 1.00 0.00 S ATOM 0 H CYS A 60 -3.376 0.738 8.169 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.604 2.801 10.047 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.863 0.074 9.696 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.260 1.061 11.088 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.115 3.260 9.387 1.00 0.00 H new ATOM 946 N THR A 61 -2.117 0.080 11.137 1.00 0.00 N ATOM 947 CA THR A 61 -1.327 -0.469 12.231 1.00 0.00 C ATOM 948 C THR A 61 -0.298 0.540 12.728 1.00 0.00 C ATOM 949 O THR A 61 -0.079 0.677 13.932 1.00 0.00 O ATOM 950 CB THR A 61 -0.600 -1.759 11.806 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.531 -2.675 11.219 1.00 0.00 O ATOM 952 CG2 THR A 61 0.081 -2.415 12.999 1.00 0.00 C ATOM 0 H THR A 61 -2.161 -0.514 10.309 1.00 0.00 H new ATOM 0 HA THR A 61 -2.023 -0.701 13.037 1.00 0.00 H new ATOM 0 HB THR A 61 0.162 -1.496 11.072 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.820 -2.334 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.588 -3.324 12.674 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.810 -1.726 13.426 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.666 -2.665 13.752 1.00 0.00 H new ATOM 960 N LEU A 62 0.329 1.246 11.794 1.00 0.00 N ATOM 961 CA LEU A 62 1.335 2.245 12.137 1.00 0.00 C ATOM 962 C LEU A 62 0.737 3.343 13.010 1.00 0.00 C ATOM 963 O LEU A 62 1.065 3.460 14.190 1.00 0.00 O ATOM 964 CB LEU A 62 1.931 2.855 10.867 1.00 0.00 C ATOM 965 CG LEU A 62 2.539 1.869 9.869 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.573 2.473 8.474 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.937 1.460 10.310 1.00 0.00 C ATOM 0 H LEU A 62 0.159 1.145 10.793 1.00 0.00 H new ATOM 0 HA LEU A 62 2.126 1.749 12.700 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.150 3.420 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.702 3.568 11.158 1.00 0.00 H new ATOM 0 HG LEU A 62 1.913 0.977 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.009 1.757 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.558 2.715 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.176 3.381 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.355 0.758 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.573 2.343 10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.885 0.985 11.290 1.00 0.00 H new ATOM 979 N ASN A 63 -0.145 4.146 12.422 1.00 0.00 N ATOM 980 CA ASN A 63 -0.791 5.234 13.146 1.00 0.00 C ATOM 981 C ASN A 63 -2.309 5.100 13.088 1.00 0.00 C ATOM 982 O ASN A 63 -2.900 5.081 12.008 1.00 0.00 O ATOM 983 CB ASN A 63 -0.364 6.584 12.568 1.00 0.00 C ATOM 984 CG ASN A 63 -0.378 7.689 13.607 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.076 7.597 14.617 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.394 8.741 13.362 1.00 0.00 N ATOM 0 H ASN A 63 -0.428 4.063 11.446 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.479 5.179 14.189 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.638 6.496 12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.030 6.852 11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.425 9.516 14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.956 8.774 12.511 1.00 0.00 H new ATOM 993 N SER A 64 -2.936 5.008 14.257 1.00 0.00 N ATOM 994 CA SER A 64 -4.385 4.873 14.339 1.00 0.00 C ATOM 995 C SER A 64 -5.080 6.054 13.667 1.00 0.00 C ATOM 996 O SER A 64 -6.256 5.976 13.313 1.00 0.00 O ATOM 997 CB SER A 64 -4.827 4.771 15.800 1.00 0.00 C ATOM 998 OG SER A 64 -4.497 3.505 16.345 1.00 0.00 O ATOM 0 H SER A 64 -2.462 5.025 15.160 1.00 0.00 H new ATOM 0 HA SER A 64 -4.670 3.960 13.816 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.349 5.558 16.384 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.903 4.931 15.870 1.00 0.00 H new ATOM 0 HG SER A 64 -4.788 3.465 17.280 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.342 7.147 13.495 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.887 8.344 12.867 1.00 0.00 C ATOM 1006 C GLU A 65 -5.047 8.145 11.363 1.00 0.00 C ATOM 1007 O GLU A 65 -5.835 8.833 10.715 1.00 0.00 O ATOM 1008 CB GLU A 65 -3.982 9.547 13.139 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.813 9.860 14.617 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.139 9.962 15.346 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.054 10.631 14.824 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.260 9.372 16.440 1.00 0.00 O ATOM 0 H GLU A 65 -3.366 7.227 13.782 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.870 8.533 13.298 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.001 9.360 12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.394 10.422 12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.206 9.084 15.082 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.269 10.798 14.726 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.293 7.198 10.814 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.350 6.908 9.385 1.00 0.00 C ATOM 1021 C ASN A 66 -5.646 6.187 9.028 1.00 0.00 C ATOM 1022 O ASN A 66 -6.120 5.331 9.775 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.148 6.058 8.968 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.853 6.543 9.590 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.659 7.742 9.791 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.958 5.611 9.896 1.00 0.00 N ATOM 0 H ASN A 66 -3.636 6.619 11.336 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.322 7.855 8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.321 5.022 9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.055 6.074 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.067 5.877 10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.161 4.629 9.712 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.214 6.538 7.879 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.455 5.924 7.420 1.00 0.00 C ATOM 1035 C LYS A 67 -7.480 5.822 5.898 1.00 0.00 C ATOM 1036 O LYS A 67 -7.302 6.817 5.196 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.659 6.733 7.907 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.861 5.876 8.268 1.00 0.00 C ATOM 1039 CD LYS A 67 -11.165 6.618 8.031 1.00 0.00 C ATOM 1040 CE LYS A 67 -11.526 7.504 9.214 1.00 0.00 C ATOM 1041 NZ LYS A 67 -12.690 8.383 8.914 1.00 0.00 N ATOM 0 H LYS A 67 -5.835 7.244 7.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.509 4.918 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.365 7.318 8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.948 7.442 7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.849 4.962 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.796 5.578 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.080 7.228 7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.966 5.900 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.755 6.880 10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.667 8.118 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.904 8.971 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.463 8.996 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.517 7.797 8.682 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.703 4.612 5.395 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.754 4.380 3.956 1.00 0.00 C ATOM 1057 C VAL A 68 -9.057 4.902 3.361 1.00 0.00 C ATOM 1058 O VAL A 68 -10.140 4.417 3.691 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.614 2.883 3.624 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.625 2.064 4.412 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.778 2.652 2.129 1.00 0.00 C ATOM 0 H VAL A 68 -7.851 3.777 5.962 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.916 4.922 3.518 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.615 2.557 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.511 1.009 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.456 2.206 5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.634 2.389 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.676 1.589 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.764 2.994 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.012 3.208 1.589 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.945 5.893 2.483 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.114 6.480 1.840 1.00 0.00 C ATOM 1073 C ASP A 69 -9.926 6.550 0.328 1.00 0.00 C ATOM 1074 O ASP A 69 -8.809 6.727 -0.161 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.381 7.879 2.399 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.852 8.245 2.366 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.487 8.057 1.308 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.368 8.718 3.401 1.00 0.00 O ATOM 0 H ASP A 69 -8.056 6.306 2.201 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.972 5.842 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.019 7.932 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.814 8.611 1.824 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.023 6.409 -0.407 1.00 0.00 N ATOM 1084 CA LEU A 70 -10.979 6.455 -1.864 1.00 0.00 C ATOM 1085 C LEU A 70 -11.736 7.668 -2.394 1.00 0.00 C ATOM 1086 O LEU A 70 -11.878 7.845 -3.605 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.570 5.173 -2.453 1.00 0.00 C ATOM 1088 CG LEU A 70 -10.988 3.861 -1.925 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -11.788 2.675 -2.443 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.524 3.731 -2.319 1.00 0.00 C ATOM 0 H LEU A 70 -11.954 6.262 -0.018 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.936 6.540 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.644 5.172 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.435 5.198 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.052 3.869 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.359 1.750 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.823 2.761 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.756 2.663 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.126 2.792 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.437 3.745 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.959 4.563 -1.899 1.00 0.00 H new ATOM 1102 N THR A 71 -12.220 8.503 -1.480 1.00 0.00 N ATOM 1103 CA THR A 71 -12.962 9.700 -1.854 1.00 0.00 C ATOM 1104 C THR A 71 -12.100 10.949 -1.710 1.00 0.00 C ATOM 1105 O THR A 71 -11.950 11.723 -2.654 1.00 0.00 O ATOM 1106 CB THR A 71 -14.232 9.865 -0.998 1.00 0.00 C ATOM 1107 OG1 THR A 71 -14.918 8.612 -0.893 1.00 0.00 O ATOM 1108 CG2 THR A 71 -15.160 10.908 -1.602 1.00 0.00 C ATOM 0 H THR A 71 -12.111 8.372 -0.474 1.00 0.00 H new ATOM 0 HA THR A 71 -13.250 9.579 -2.898 1.00 0.00 H new ATOM 0 HB THR A 71 -13.933 10.200 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.723 8.725 -0.346 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.050 11.007 -0.980 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.645 11.867 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.451 10.598 -2.606 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.534 11.138 -0.522 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.686 12.294 -0.254 1.00 0.00 C ATOM 1118 C ASN A 72 -9.338 11.859 0.313 1.00 0.00 C ATOM 1119 O ASN A 72 -8.908 12.313 1.374 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.380 13.246 0.721 1.00 0.00 C ATOM 1121 CG ASN A 72 -12.256 14.262 0.014 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.879 15.423 -0.141 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -13.434 13.827 -0.420 1.00 0.00 N ATOM 0 H ASN A 72 -11.647 10.506 0.270 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.513 12.814 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.988 12.668 1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.628 13.768 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.066 14.465 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.706 12.855 -0.270 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.654 10.960 -0.409 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.345 10.445 0.002 1.00 0.00 C ATOM 1132 C PRO A 73 -6.250 11.502 -0.097 1.00 0.00 C ATOM 1133 O PRO A 73 -6.232 12.304 -1.029 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.082 9.309 -0.990 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.884 9.666 -2.195 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.107 10.376 -1.683 1.00 0.00 C ATOM 0 HA PRO A 73 -7.341 10.128 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.022 9.230 -1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.389 8.347 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.314 10.307 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.158 8.775 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.447 11.143 -2.379 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.939 9.688 -1.536 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.338 11.495 0.871 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.240 12.454 0.892 1.00 0.00 C ATOM 1146 C GLN A 74 -2.994 11.869 0.235 1.00 0.00 C ATOM 1147 O GLN A 74 -2.171 12.600 -0.317 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.926 12.870 2.330 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.718 14.078 2.801 1.00 0.00 C ATOM 1150 CD GLN A 74 -3.993 14.870 3.871 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -2.848 15.283 3.686 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.658 15.088 5.000 1.00 0.00 N ATOM 0 H GLN A 74 -5.338 10.836 1.650 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.548 13.333 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -4.130 12.031 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.861 13.090 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.923 14.727 1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.681 13.747 3.189 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.606 14.728 5.111 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.221 15.616 5.755 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.863 10.549 0.298 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.716 9.867 -0.289 1.00 0.00 C ATOM 1163 C TYR A 75 -2.162 8.670 -1.123 1.00 0.00 C ATOM 1164 O TYR A 75 -2.805 7.749 -0.617 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.753 9.408 0.808 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.307 10.522 1.727 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.736 11.369 1.371 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.930 10.730 2.952 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.146 12.387 2.209 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.527 11.747 3.795 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.512 12.573 3.419 1.00 0.00 C ATOM 1172 OH TYR A 75 0.918 13.588 4.255 1.00 0.00 O ATOM 0 H TYR A 75 -3.536 9.930 0.749 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.202 10.571 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.235 8.630 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.125 8.958 0.344 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.234 11.229 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.743 10.085 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.960 13.035 1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.022 11.895 4.743 1.00 0.00 H new ATOM 0 HH TYR A 75 0.368 13.583 5.066 1.00 0.00 H new ATOM 1182 N THR A 76 -1.815 8.688 -2.406 1.00 0.00 N ATOM 1183 CA THR A 76 -2.179 7.606 -3.312 1.00 0.00 C ATOM 1184 C THR A 76 -1.061 6.576 -3.415 1.00 0.00 C ATOM 1185 O THR A 76 -0.022 6.830 -4.025 1.00 0.00 O ATOM 1186 CB THR A 76 -2.503 8.138 -4.721 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.578 9.082 -4.653 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.879 6.999 -5.656 1.00 0.00 C ATOM 0 H THR A 76 -1.282 9.441 -2.841 1.00 0.00 H new ATOM 0 HA THR A 76 -3.069 7.132 -2.897 1.00 0.00 H new ATOM 0 HB THR A 76 -1.613 8.630 -5.114 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.777 9.417 -5.552 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.104 7.399 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.047 6.298 -5.728 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.756 6.482 -5.266 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.279 5.410 -2.815 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.290 4.339 -2.841 1.00 0.00 C ATOM 1198 C VAL A 77 -0.660 3.274 -3.867 1.00 0.00 C ATOM 1199 O VAL A 77 -1.510 2.420 -3.613 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.145 3.676 -1.459 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.882 4.417 -0.616 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.489 3.622 -0.750 1.00 0.00 C ATOM 0 H VAL A 77 -2.132 5.183 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 77 0.661 4.793 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 77 0.206 2.654 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.971 3.934 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.848 4.398 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.564 5.451 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.367 3.150 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.872 4.634 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.193 3.043 -1.348 1.00 0.00 H new ATOM 1212 N VAL A 78 -0.015 3.329 -5.028 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.275 2.368 -6.094 1.00 0.00 C ATOM 1214 C VAL A 78 0.781 1.268 -6.111 1.00 0.00 C ATOM 1215 O VAL A 78 1.958 1.519 -5.854 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.309 3.054 -7.472 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.320 4.190 -7.479 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.076 3.559 -7.849 1.00 0.00 C ATOM 0 H VAL A 78 0.692 4.029 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.251 1.927 -5.892 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.619 2.320 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.330 4.663 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.312 3.796 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.045 4.927 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.034 4.041 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.416 4.278 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.771 2.720 -7.888 1.00 0.00 H new ATOM 1228 N VAL A 79 0.351 0.048 -6.415 1.00 0.00 N ATOM 1229 CA VAL A 79 1.259 -1.091 -6.468 1.00 0.00 C ATOM 1230 C VAL A 79 1.372 -1.640 -7.886 1.00 0.00 C ATOM 1231 O VAL A 79 0.486 -2.351 -8.358 1.00 0.00 O ATOM 1232 CB VAL A 79 0.798 -2.221 -5.527 1.00 0.00 C ATOM 1233 CG1 VAL A 79 0.844 -1.762 -4.078 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.600 -2.688 -5.902 1.00 0.00 C ATOM 0 H VAL A 79 -0.621 -0.177 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 79 2.235 -0.732 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 79 1.481 -3.064 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.515 -2.573 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.864 -1.480 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.186 -0.903 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.910 -3.486 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.296 -1.853 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.597 -3.060 -6.927 1.00 0.00 H new ATOM 1244 N GLU A 80 2.468 -1.304 -8.559 1.00 0.00 N ATOM 1245 CA GLU A 80 2.695 -1.764 -9.924 1.00 0.00 C ATOM 1246 C GLU A 80 3.608 -2.987 -9.942 1.00 0.00 C ATOM 1247 O GLU A 80 4.508 -3.115 -9.111 1.00 0.00 O ATOM 1248 CB GLU A 80 3.310 -0.644 -10.767 1.00 0.00 C ATOM 1249 CG GLU A 80 3.261 -0.910 -12.262 1.00 0.00 C ATOM 1250 CD GLU A 80 3.409 0.354 -13.085 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.111 1.281 -12.629 1.00 0.00 O ATOM 1252 OE2 GLU A 80 2.823 0.417 -14.186 1.00 0.00 O ATOM 0 H GLU A 80 3.211 -0.716 -8.182 1.00 0.00 H new ATOM 0 HA GLU A 80 1.732 -2.044 -10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.786 0.288 -10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.348 -0.502 -10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.055 -1.608 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.316 -1.392 -12.511 1.00 0.00 H new ATOM 1259 N ILE A 81 3.368 -3.883 -10.893 1.00 0.00 N ATOM 1260 CA ILE A 81 4.167 -5.095 -11.019 1.00 0.00 C ATOM 1261 C ILE A 81 4.996 -5.076 -12.299 1.00 0.00 C ATOM 1262 O ILE A 81 4.468 -5.266 -13.395 1.00 0.00 O ATOM 1263 CB ILE A 81 3.282 -6.356 -11.013 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.346 -6.342 -9.802 1.00 0.00 C ATOM 1265 CG2 ILE A 81 4.146 -7.609 -11.007 1.00 0.00 C ATOM 1266 CD1 ILE A 81 3.073 -6.334 -8.476 1.00 0.00 C ATOM 0 H ILE A 81 2.627 -3.792 -11.588 1.00 0.00 H new ATOM 0 HA ILE A 81 4.834 -5.125 -10.157 1.00 0.00 H new ATOM 0 HB ILE A 81 2.675 -6.361 -11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.703 -5.464 -9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.696 -7.216 -9.845 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.507 -8.492 -11.003 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.776 -7.621 -11.897 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.775 -7.613 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.347 -6.324 -7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.695 -7.226 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.702 -5.446 -8.411 1.00 0.00 H new ATOM 1278 N ILE A 82 6.297 -4.848 -12.151 1.00 0.00 N ATOM 1279 CA ILE A 82 7.199 -4.807 -13.295 1.00 0.00 C ATOM 1280 C ILE A 82 8.195 -5.961 -13.251 1.00 0.00 C ATOM 1281 O ILE A 82 9.162 -5.933 -12.490 1.00 0.00 O ATOM 1282 CB ILE A 82 7.974 -3.478 -13.354 1.00 0.00 C ATOM 1283 CG1 ILE A 82 7.034 -2.302 -13.083 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.653 -3.320 -14.706 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.748 -2.082 -11.614 1.00 0.00 C ATOM 0 H ILE A 82 6.749 -4.689 -11.251 1.00 0.00 H new ATOM 0 HA ILE A 82 6.580 -4.897 -14.188 1.00 0.00 H new ATOM 0 HB ILE A 82 8.744 -3.489 -12.582 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.471 -1.395 -13.499 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.093 -2.472 -13.606 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.197 -2.376 -14.732 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.349 -4.144 -14.862 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.900 -3.327 -15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.075 -1.232 -11.498 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.281 -2.974 -11.197 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.681 -1.881 -11.088 1.00 0.00 H new ATOM 1297 N LYS A 83 7.952 -6.977 -14.073 1.00 0.00 N ATOM 1298 CA LYS A 83 8.828 -8.141 -14.131 1.00 0.00 C ATOM 1299 C LYS A 83 8.765 -8.935 -12.831 1.00 0.00 C ATOM 1300 O LYS A 83 9.761 -9.514 -12.397 1.00 0.00 O ATOM 1301 CB LYS A 83 10.270 -7.706 -14.407 1.00 0.00 C ATOM 1302 CG LYS A 83 10.414 -6.815 -15.628 1.00 0.00 C ATOM 1303 CD LYS A 83 11.824 -6.864 -16.191 1.00 0.00 C ATOM 1304 CE LYS A 83 12.737 -5.866 -15.495 1.00 0.00 C ATOM 1305 NZ LYS A 83 12.693 -4.527 -16.145 1.00 0.00 N ATOM 0 H LYS A 83 7.155 -7.017 -14.708 1.00 0.00 H new ATOM 0 HA LYS A 83 8.486 -8.782 -14.944 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.654 -7.177 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.889 -8.593 -14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.704 -7.128 -16.394 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.163 -5.788 -15.362 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.228 -7.870 -16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.798 -6.651 -17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.443 -5.772 -14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.760 -6.241 -15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.328 -3.876 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.998 -4.612 -17.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.722 -4.157 -16.113 1.00 0.00 H new ATOM 1319 N ALA A 84 7.589 -8.959 -12.214 1.00 0.00 N ATOM 1320 CA ALA A 84 7.396 -9.685 -10.965 1.00 0.00 C ATOM 1321 C ALA A 84 8.083 -8.974 -9.804 1.00 0.00 C ATOM 1322 O ALA A 84 8.732 -9.608 -8.972 1.00 0.00 O ATOM 1323 CB ALA A 84 7.916 -11.109 -11.096 1.00 0.00 C ATOM 0 H ALA A 84 6.755 -8.484 -12.559 1.00 0.00 H new ATOM 0 HA ALA A 84 6.327 -9.718 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.765 -11.639 -10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.376 -11.622 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.979 -11.088 -11.334 1.00 0.00 H new ATOM 1329 N VAL A 85 7.938 -7.654 -9.755 1.00 0.00 N ATOM 1330 CA VAL A 85 8.545 -6.856 -8.696 1.00 0.00 C ATOM 1331 C VAL A 85 7.545 -5.865 -8.113 1.00 0.00 C ATOM 1332 O VAL A 85 7.001 -5.022 -8.828 1.00 0.00 O ATOM 1333 CB VAL A 85 9.775 -6.085 -9.210 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.346 -4.840 -9.970 1.00 0.00 C ATOM 1335 CG2 VAL A 85 10.697 -5.723 -8.054 1.00 0.00 C ATOM 0 H VAL A 85 7.405 -7.114 -10.437 1.00 0.00 H new ATOM 0 HA VAL A 85 8.860 -7.550 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 85 10.325 -6.729 -9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.229 -4.308 -10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.729 -5.128 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.773 -4.190 -9.309 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.561 -5.179 -8.435 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.159 -5.098 -7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.032 -6.633 -7.557 1.00 0.00 H new ATOM 1345 N CYS A 86 7.306 -5.971 -6.810 1.00 0.00 N ATOM 1346 CA CYS A 86 6.370 -5.083 -6.130 1.00 0.00 C ATOM 1347 C CYS A 86 6.878 -3.645 -6.141 1.00 0.00 C ATOM 1348 O CYS A 86 7.842 -3.311 -5.450 1.00 0.00 O ATOM 1349 CB CYS A 86 6.150 -5.548 -4.689 1.00 0.00 C ATOM 1350 SG CYS A 86 4.533 -5.108 -4.011 1.00 0.00 S ATOM 0 H CYS A 86 7.747 -6.663 -6.204 1.00 0.00 H new ATOM 0 HA CYS A 86 5.421 -5.117 -6.665 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.268 -6.631 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.927 -5.117 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 86 4.075 -6.098 -3.304 1.00 0.00 H new ATOM 1356 N CYS A 87 6.226 -2.799 -6.930 1.00 0.00 N ATOM 1357 CA CYS A 87 6.613 -1.396 -7.033 1.00 0.00 C ATOM 1358 C CYS A 87 5.553 -0.492 -6.413 1.00 0.00 C ATOM 1359 O CYS A 87 4.445 -0.368 -6.936 1.00 0.00 O ATOM 1360 CB CYS A 87 6.834 -1.013 -8.497 1.00 0.00 C ATOM 1361 SG CYS A 87 8.504 -1.349 -9.104 1.00 0.00 S ATOM 0 H CYS A 87 5.427 -3.060 -7.508 1.00 0.00 H new ATOM 0 HA CYS A 87 7.545 -1.261 -6.484 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.118 -1.555 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.621 0.049 -8.620 1.00 0.00 H new ATOM 0 HG CYS A 87 8.770 -0.560 -10.103 1.00 0.00 H new ATOM 1367 N LEU A 88 5.899 0.136 -5.295 1.00 0.00 N ATOM 1368 CA LEU A 88 4.977 1.028 -4.601 1.00 0.00 C ATOM 1369 C LEU A 88 5.296 2.488 -4.909 1.00 0.00 C ATOM 1370 O LEU A 88 6.376 2.979 -4.582 1.00 0.00 O ATOM 1371 CB LEU A 88 5.041 0.787 -3.092 1.00 0.00 C ATOM 1372 CG LEU A 88 4.273 -0.429 -2.573 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.096 -1.696 -2.750 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.893 -0.237 -1.112 1.00 0.00 C ATOM 0 H LEU A 88 6.812 0.044 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 88 3.968 0.814 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.087 0.680 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.661 1.675 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 88 3.357 -0.531 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.533 -2.551 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.316 -1.842 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.029 -1.604 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.347 -1.112 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.796 -0.108 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.263 0.647 -1.013 1.00 0.00 H new ATOM 1386 N SER A 89 4.348 3.176 -5.537 1.00 0.00 N ATOM 1387 CA SER A 89 4.529 4.579 -5.890 1.00 0.00 C ATOM 1388 C SER A 89 3.575 5.466 -5.096 1.00 0.00 C ATOM 1389 O SER A 89 2.356 5.335 -5.200 1.00 0.00 O ATOM 1390 CB SER A 89 4.304 4.783 -7.390 1.00 0.00 C ATOM 1391 OG SER A 89 4.515 6.135 -7.758 1.00 0.00 O ATOM 0 H SER A 89 3.447 2.785 -5.812 1.00 0.00 H new ATOM 0 HA SER A 89 5.552 4.861 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.980 4.140 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.289 4.486 -7.652 1.00 0.00 H new ATOM 0 HG SER A 89 4.367 6.239 -8.721 1.00 0.00 H new ATOM 1397 N VAL A 90 4.140 6.370 -4.302 1.00 0.00 N ATOM 1398 CA VAL A 90 3.342 7.280 -3.490 1.00 0.00 C ATOM 1399 C VAL A 90 3.198 8.638 -4.167 1.00 0.00 C ATOM 1400 O VAL A 90 4.162 9.179 -4.710 1.00 0.00 O ATOM 1401 CB VAL A 90 3.962 7.478 -2.094 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.038 8.304 -1.211 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.266 6.134 -1.451 1.00 0.00 C ATOM 0 H VAL A 90 5.148 6.491 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 90 2.357 6.825 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 90 4.900 8.022 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.493 8.433 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.876 9.281 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.083 7.791 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.704 6.293 -0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.344 5.562 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.969 5.583 -2.075 1.00 0.00 H new ATOM 1413 N VAL A 91 1.987 9.186 -4.133 1.00 0.00 N ATOM 1414 CA VAL A 91 1.716 10.482 -4.742 1.00 0.00 C ATOM 1415 C VAL A 91 0.893 11.366 -3.811 1.00 0.00 C ATOM 1416 O VAL A 91 -0.190 10.982 -3.369 1.00 0.00 O ATOM 1417 CB VAL A 91 0.969 10.329 -6.080 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.684 11.692 -6.692 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.769 9.461 -7.040 1.00 0.00 C ATOM 0 H VAL A 91 1.178 8.751 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 91 2.682 10.953 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 91 0.015 9.837 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.156 11.563 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.068 12.276 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.624 12.215 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.227 9.363 -7.980 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.738 9.923 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.916 8.474 -6.602 1.00 0.00 H new ATOM 1429 N LYS A 92 1.414 12.552 -3.517 1.00 0.00 N ATOM 1430 CA LYS A 92 0.728 13.493 -2.640 1.00 0.00 C ATOM 1431 C LYS A 92 -0.133 14.461 -3.446 1.00 0.00 C ATOM 1432 O LYS A 92 0.382 15.374 -4.091 1.00 0.00 O ATOM 1433 CB LYS A 92 1.743 14.274 -1.802 1.00 0.00 C ATOM 1434 CG LYS A 92 1.133 14.961 -0.592 1.00 0.00 C ATOM 1435 CD LYS A 92 2.150 15.831 0.127 1.00 0.00 C ATOM 1436 CE LYS A 92 2.306 17.183 -0.552 1.00 0.00 C ATOM 1437 NZ LYS A 92 1.112 18.048 -0.347 1.00 0.00 N ATOM 0 H LYS A 92 2.310 12.885 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 92 0.078 12.923 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.525 13.593 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.222 15.024 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.288 15.573 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.744 14.210 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.840 15.976 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.113 15.322 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.190 17.686 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.469 17.036 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.357 19.035 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.345 17.736 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.798 17.978 0.642 1.00 0.00 H new ATOM 1451 N SER A 93 -1.445 14.254 -3.404 1.00 0.00 N ATOM 1452 CA SER A 93 -2.377 15.107 -4.133 1.00 0.00 C ATOM 1453 C SER A 93 -3.262 15.891 -3.170 1.00 0.00 C ATOM 1454 O SER A 93 -3.301 17.120 -3.205 1.00 0.00 O ATOM 1455 CB SER A 93 -3.244 14.265 -5.071 1.00 0.00 C ATOM 1456 OG SER A 93 -4.088 15.086 -5.859 1.00 0.00 O ATOM 0 H SER A 93 -1.887 13.503 -2.873 1.00 0.00 H new ATOM 0 HA SER A 93 -1.797 15.816 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.606 13.665 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.848 13.571 -4.487 1.00 0.00 H new ATOM 0 HG SER A 93 -4.631 14.524 -6.451 1.00 0.00 H new ATOM 1462 N GLY A 94 -3.974 15.170 -2.309 1.00 0.00 N ATOM 1463 CA GLY A 94 -4.851 15.814 -1.348 1.00 0.00 C ATOM 1464 C GLY A 94 -6.205 16.155 -1.936 1.00 0.00 C ATOM 1465 O GLY A 94 -6.718 15.460 -2.814 1.00 0.00 O ATOM 0 H GLY A 94 -3.959 14.151 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.987 15.158 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.377 16.725 -0.982 1.00 0.00 H new ATOM 1469 N PRO A 95 -6.808 17.249 -1.448 1.00 0.00 N ATOM 1470 CA PRO A 95 -8.120 17.705 -1.916 1.00 0.00 C ATOM 1471 C PRO A 95 -8.071 18.248 -3.340 1.00 0.00 C ATOM 1472 O PRO A 95 -9.102 18.592 -3.919 1.00 0.00 O ATOM 1473 CB PRO A 95 -8.481 18.819 -0.930 1.00 0.00 C ATOM 1474 CG PRO A 95 -7.170 19.318 -0.427 1.00 0.00 C ATOM 1475 CD PRO A 95 -6.256 18.125 -0.401 1.00 0.00 C ATOM 0 HA PRO A 95 -8.847 16.893 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.046 19.613 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.100 18.442 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.774 20.099 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.273 19.752 0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.224 18.405 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.259 17.637 0.574 1.00 0.00 H new ATOM 1483 N SER A 96 -6.867 18.323 -3.899 1.00 0.00 N ATOM 1484 CA SER A 96 -6.684 18.828 -5.254 1.00 0.00 C ATOM 1485 C SER A 96 -7.170 20.270 -5.367 1.00 0.00 C ATOM 1486 O SER A 96 -7.821 20.642 -6.343 1.00 0.00 O ATOM 1487 CB SER A 96 -7.433 17.946 -6.255 1.00 0.00 C ATOM 1488 OG SER A 96 -6.782 17.939 -7.515 1.00 0.00 O ATOM 0 H SER A 96 -6.004 18.040 -3.434 1.00 0.00 H new ATOM 0 HA SER A 96 -5.619 18.803 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.498 16.928 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.454 18.309 -6.372 1.00 0.00 H new ATOM 0 HG SER A 96 -7.279 17.367 -8.137 1.00 0.00 H new ATOM 1494 N SER A 97 -6.847 21.077 -4.361 1.00 0.00 N ATOM 1495 CA SER A 97 -7.253 22.477 -4.345 1.00 0.00 C ATOM 1496 C SER A 97 -6.079 23.379 -3.974 1.00 0.00 C ATOM 1497 O SER A 97 -5.030 22.904 -3.541 1.00 0.00 O ATOM 1498 CB SER A 97 -8.402 22.685 -3.356 1.00 0.00 C ATOM 1499 OG SER A 97 -9.655 22.439 -3.971 1.00 0.00 O ATOM 0 H SER A 97 -6.306 20.785 -3.547 1.00 0.00 H new ATOM 0 HA SER A 97 -7.591 22.743 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.276 22.020 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.376 23.705 -2.972 1.00 0.00 H new ATOM 0 HG SER A 97 -10.373 22.577 -3.318 1.00 0.00 H new ATOM 1505 N GLY A 98 -6.265 24.684 -4.149 1.00 0.00 N ATOM 1506 CA GLY A 98 -5.214 25.632 -3.829 1.00 0.00 C ATOM 1507 C GLY A 98 -4.002 25.478 -4.726 1.00 0.00 C ATOM 1508 O GLY A 98 -4.072 25.742 -5.927 1.00 0.00 O ATOM 0 H GLY A 98 -7.124 25.101 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.603 26.646 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.913 25.499 -2.790 1.00 0.00 H new TER 1512 GLY A 98