USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 44 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 47 TYR OH : rot 90:sc= -0.244 USER MOD Set 1.3: A 90 SER OG : rot 35:sc= 0.277 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.105 USER MOD Single : A 3 SER OG : rot 28:sc= 0.0303 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -136:sc= -4.53! (180deg=-8.38!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 22 CYS SG : rot 16:sc= 0.0287 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 160:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.04 K(o=-1,f=-2!) USER MOD Single : A 39 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1) USER MOD Single : A 63 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-5.1!) USER MOD Single : A 65 ASN : amide:sc= -2.81 K(o=-2.8,f=-4.4!) USER MOD Single : A 69 SER OG : rot 91:sc= 1.17 USER MOD Single : A 71 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.067) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.043) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.45 K(o=-0.45,f=-4!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 34:sc= 0.709 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.256 13.135 -10.206 1.00 0.00 N ATOM 2 CA GLY A 1 11.539 13.740 -9.901 1.00 0.00 C ATOM 3 C GLY A 1 12.564 12.723 -9.440 1.00 0.00 C ATOM 4 O GLY A 1 13.447 12.331 -10.203 1.00 0.00 O ATOM 0 H1 GLY A 1 9.590 13.871 -10.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.375 12.433 -10.964 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.882 12.666 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.914 14.254 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.406 14.495 -9.126 1.00 0.00 H new ATOM 8 N SER A 2 12.449 12.295 -8.187 1.00 0.00 N ATOM 9 CA SER A 2 13.377 11.322 -7.622 1.00 0.00 C ATOM 10 C SER A 2 12.671 10.420 -6.615 1.00 0.00 C ATOM 11 O SER A 2 12.058 10.897 -5.660 1.00 0.00 O ATOM 12 CB SER A 2 14.551 12.035 -6.950 1.00 0.00 C ATOM 13 OG SER A 2 15.554 12.367 -7.895 1.00 0.00 O ATOM 0 H SER A 2 11.722 12.607 -7.543 1.00 0.00 H new ATOM 0 HA SER A 2 13.755 10.703 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.197 12.941 -6.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.974 11.395 -6.175 1.00 0.00 H new ATOM 0 HG SER A 2 15.149 12.460 -8.783 1.00 0.00 H new ATOM 19 N SER A 3 12.763 9.112 -6.835 1.00 0.00 N ATOM 20 CA SER A 3 12.130 8.141 -5.949 1.00 0.00 C ATOM 21 C SER A 3 12.561 8.365 -4.503 1.00 0.00 C ATOM 22 O SER A 3 13.749 8.487 -4.209 1.00 0.00 O ATOM 23 CB SER A 3 12.482 6.717 -6.384 1.00 0.00 C ATOM 24 OG SER A 3 13.880 6.570 -6.565 1.00 0.00 O ATOM 0 H SER A 3 13.270 8.700 -7.619 1.00 0.00 H new ATOM 0 HA SER A 3 11.050 8.276 -6.013 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.133 6.007 -5.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.965 6.479 -7.313 1.00 0.00 H new ATOM 0 HG SER A 3 14.353 7.206 -5.989 1.00 0.00 H new ATOM 30 N GLY A 4 11.584 8.416 -3.602 1.00 0.00 N ATOM 31 CA GLY A 4 11.881 8.625 -2.197 1.00 0.00 C ATOM 32 C GLY A 4 11.102 9.783 -1.605 1.00 0.00 C ATOM 33 O GLY A 4 10.196 9.582 -0.797 1.00 0.00 O ATOM 0 H GLY A 4 10.593 8.316 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.652 7.716 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.948 8.811 -2.078 1.00 0.00 H new ATOM 37 N SER A 5 11.456 10.999 -2.008 1.00 0.00 N ATOM 38 CA SER A 5 10.787 12.195 -1.508 1.00 0.00 C ATOM 39 C SER A 5 9.470 12.427 -2.242 1.00 0.00 C ATOM 40 O SER A 5 8.411 12.526 -1.623 1.00 0.00 O ATOM 41 CB SER A 5 11.694 13.416 -1.666 1.00 0.00 C ATOM 42 OG SER A 5 12.714 13.425 -0.682 1.00 0.00 O ATOM 0 H SER A 5 12.202 11.182 -2.679 1.00 0.00 H new ATOM 0 HA SER A 5 10.572 12.046 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.143 13.413 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.100 14.327 -1.587 1.00 0.00 H new ATOM 0 HG SER A 5 13.281 14.215 -0.806 1.00 0.00 H new ATOM 48 N SER A 6 9.545 12.514 -3.566 1.00 0.00 N ATOM 49 CA SER A 6 8.360 12.738 -4.386 1.00 0.00 C ATOM 50 C SER A 6 7.299 11.677 -4.110 1.00 0.00 C ATOM 51 O SER A 6 7.522 10.488 -4.333 1.00 0.00 O ATOM 52 CB SER A 6 8.732 12.731 -5.870 1.00 0.00 C ATOM 53 OG SER A 6 7.598 12.987 -6.681 1.00 0.00 O ATOM 0 H SER A 6 10.414 12.433 -4.094 1.00 0.00 H new ATOM 0 HA SER A 6 7.948 13.713 -4.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.497 13.484 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.163 11.766 -6.136 1.00 0.00 H new ATOM 0 HG SER A 6 7.862 12.979 -7.625 1.00 0.00 H new ATOM 59 N GLY A 7 6.143 12.117 -3.623 1.00 0.00 N ATOM 60 CA GLY A 7 5.064 11.193 -3.325 1.00 0.00 C ATOM 61 C GLY A 7 4.590 11.301 -1.889 1.00 0.00 C ATOM 62 O GLY A 7 5.359 11.666 -1.000 1.00 0.00 O ATOM 0 H GLY A 7 5.934 13.096 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.227 11.387 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.398 10.174 -3.519 1.00 0.00 H new ATOM 66 N MET A 8 3.319 10.984 -1.662 1.00 0.00 N ATOM 67 CA MET A 8 2.744 11.047 -0.323 1.00 0.00 C ATOM 68 C MET A 8 3.123 9.814 0.490 1.00 0.00 C ATOM 69 O MET A 8 3.819 8.926 0.000 1.00 0.00 O ATOM 70 CB MET A 8 1.221 11.171 -0.405 1.00 0.00 C ATOM 71 CG MET A 8 0.751 12.376 -1.203 1.00 0.00 C ATOM 72 SD MET A 8 0.754 12.075 -2.981 1.00 0.00 S ATOM 73 CE MET A 8 -0.998 12.174 -3.344 1.00 0.00 C ATOM 0 H MET A 8 2.669 10.681 -2.387 1.00 0.00 H new ATOM 0 HA MET A 8 3.147 11.927 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.815 10.266 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.815 11.233 0.605 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.256 12.647 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.395 13.227 -0.981 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.278 11.360 -4.012 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.567 12.095 -2.417 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.217 13.128 -3.823 1.00 0.00 H new ATOM 83 N GLU A 9 2.660 9.766 1.735 1.00 0.00 N ATOM 84 CA GLU A 9 2.952 8.642 2.616 1.00 0.00 C ATOM 85 C GLU A 9 1.677 8.118 3.271 1.00 0.00 C ATOM 86 O GLU A 9 0.773 8.887 3.599 1.00 0.00 O ATOM 87 CB GLU A 9 3.958 9.056 3.692 1.00 0.00 C ATOM 88 CG GLU A 9 5.364 9.275 3.158 1.00 0.00 C ATOM 89 CD GLU A 9 6.389 9.437 4.264 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.267 10.402 5.048 1.00 0.00 O ATOM 91 OE2 GLU A 9 7.312 8.600 4.345 1.00 0.00 O ATOM 0 H GLU A 9 2.081 10.493 2.156 1.00 0.00 H new ATOM 0 HA GLU A 9 3.384 7.844 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.612 9.974 4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.987 8.288 4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.645 8.431 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.374 10.162 2.525 1.00 0.00 H new ATOM 98 N LEU A 10 1.612 6.804 3.458 1.00 0.00 N ATOM 99 CA LEU A 10 0.448 6.176 4.074 1.00 0.00 C ATOM 100 C LEU A 10 0.825 5.501 5.389 1.00 0.00 C ATOM 101 O LEU A 10 1.974 5.106 5.589 1.00 0.00 O ATOM 102 CB LEU A 10 -0.167 5.151 3.119 1.00 0.00 C ATOM 103 CG LEU A 10 -1.676 4.937 3.246 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.426 6.221 2.926 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.133 3.809 2.333 1.00 0.00 C ATOM 0 H LEU A 10 2.351 6.153 3.192 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.286 6.954 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.051 5.460 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.330 4.194 3.276 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.899 4.657 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.498 6.050 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.120 7.004 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.198 6.531 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.209 3.671 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.897 4.060 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.621 2.887 2.609 1.00 0.00 H new ATOM 117 N LYS A 11 -0.150 5.370 6.282 1.00 0.00 N ATOM 118 CA LYS A 11 0.077 4.740 7.577 1.00 0.00 C ATOM 119 C LYS A 11 -0.722 3.447 7.700 1.00 0.00 C ATOM 120 O LYS A 11 -1.938 3.472 7.891 1.00 0.00 O ATOM 121 CB LYS A 11 -0.306 5.698 8.707 1.00 0.00 C ATOM 122 CG LYS A 11 0.649 6.869 8.861 1.00 0.00 C ATOM 123 CD LYS A 11 1.788 6.540 9.811 1.00 0.00 C ATOM 124 CE LYS A 11 2.473 7.799 10.318 1.00 0.00 C ATOM 125 NZ LYS A 11 3.634 7.484 11.196 1.00 0.00 N ATOM 0 H LYS A 11 -1.106 5.692 6.132 1.00 0.00 H new ATOM 0 HA LYS A 11 1.137 4.500 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.310 6.080 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.343 5.144 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.054 7.140 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.104 7.737 9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.405 5.968 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.516 5.908 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.810 8.395 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.755 8.406 10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.074 8.369 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.309 6.937 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.331 6.926 10.663 1.00 0.00 H new ATOM 139 N VAL A 12 -0.030 2.316 7.591 1.00 0.00 N ATOM 140 CA VAL A 12 -0.675 1.013 7.692 1.00 0.00 C ATOM 141 C VAL A 12 0.029 0.130 8.716 1.00 0.00 C ATOM 142 O VAL A 12 1.166 0.397 9.104 1.00 0.00 O ATOM 143 CB VAL A 12 -0.695 0.289 6.333 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.089 1.249 5.222 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.659 -0.344 6.048 1.00 0.00 C ATOM 0 H VAL A 12 0.977 2.277 7.433 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.701 1.192 8.014 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.441 -0.505 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.098 0.719 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.082 1.650 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.370 2.067 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.628 -0.852 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.425 0.431 6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.895 -1.065 6.830 1.00 0.00 H new ATOM 155 N TRP A 13 -0.654 -0.923 9.150 1.00 0.00 N ATOM 156 CA TRP A 13 -0.093 -1.847 10.130 1.00 0.00 C ATOM 157 C TRP A 13 0.056 -3.244 9.537 1.00 0.00 C ATOM 158 O TRP A 13 -0.932 -3.947 9.322 1.00 0.00 O ATOM 159 CB TRP A 13 -0.978 -1.900 11.376 1.00 0.00 C ATOM 160 CG TRP A 13 -0.973 -0.624 12.162 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.649 0.525 11.864 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.257 -0.367 13.375 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.396 1.481 12.818 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.546 0.958 13.756 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.599 -1.127 14.177 1.00 0.00 C ATOM 166 CZ2 TRP A 13 -0.008 1.536 14.903 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.132 -0.552 15.314 1.00 0.00 C ATOM 168 CH2 TRP A 13 0.827 0.769 15.669 1.00 0.00 C ATOM 0 H TRP A 13 -1.597 -1.159 8.839 1.00 0.00 H new ATOM 0 HA TRP A 13 0.896 -1.484 10.411 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.001 -2.130 11.077 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.642 -2.715 12.017 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.289 0.662 11.005 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.779 2.426 12.826 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.839 -2.146 13.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.242 2.554 15.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.795 -1.130 15.940 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.259 1.190 16.565 1.00 0.00 H new ATOM 179 N VAL A 14 1.297 -3.642 9.276 1.00 0.00 N ATOM 180 CA VAL A 14 1.575 -4.957 8.709 1.00 0.00 C ATOM 181 C VAL A 14 2.189 -5.885 9.751 1.00 0.00 C ATOM 182 O VAL A 14 3.365 -5.760 10.093 1.00 0.00 O ATOM 183 CB VAL A 14 2.526 -4.858 7.502 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.671 -6.212 6.824 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.029 -3.810 6.517 1.00 0.00 C ATOM 0 H VAL A 14 2.126 -3.073 9.448 1.00 0.00 H new ATOM 0 HA VAL A 14 0.621 -5.367 8.378 1.00 0.00 H new ATOM 0 HB VAL A 14 3.509 -4.550 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.347 -6.122 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.075 -6.933 7.534 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.695 -6.552 6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.713 -3.753 5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.035 -4.085 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.982 -2.840 7.011 1.00 0.00 H new ATOM 195 N ASP A 15 1.385 -6.817 10.251 1.00 0.00 N ATOM 196 CA ASP A 15 1.849 -7.770 11.253 1.00 0.00 C ATOM 197 C ASP A 15 2.125 -7.070 12.581 1.00 0.00 C ATOM 198 O ASP A 15 3.107 -7.369 13.259 1.00 0.00 O ATOM 199 CB ASP A 15 3.112 -8.481 10.765 1.00 0.00 C ATOM 200 CG ASP A 15 3.419 -9.731 11.567 1.00 0.00 C ATOM 201 OD1 ASP A 15 2.573 -10.649 11.580 1.00 0.00 O ATOM 202 OD2 ASP A 15 4.504 -9.790 12.182 1.00 0.00 O ATOM 0 H ASP A 15 0.409 -6.933 9.979 1.00 0.00 H new ATOM 0 HA ASP A 15 1.063 -8.509 11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.993 -8.747 9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.958 -7.796 10.827 1.00 0.00 H new ATOM 207 N GLY A 16 1.252 -6.136 12.945 1.00 0.00 N ATOM 208 CA GLY A 16 1.420 -5.408 14.189 1.00 0.00 C ATOM 209 C GLY A 16 2.602 -4.460 14.150 1.00 0.00 C ATOM 210 O GLY A 16 3.154 -4.102 15.191 1.00 0.00 O ATOM 0 H GLY A 16 0.431 -5.870 12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.512 -4.843 14.402 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.553 -6.117 15.006 1.00 0.00 H new ATOM 214 N VAL A 17 2.994 -4.053 12.947 1.00 0.00 N ATOM 215 CA VAL A 17 4.119 -3.141 12.777 1.00 0.00 C ATOM 216 C VAL A 17 3.785 -2.036 11.782 1.00 0.00 C ATOM 217 O VAL A 17 3.179 -2.287 10.741 1.00 0.00 O ATOM 218 CB VAL A 17 5.377 -3.887 12.295 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.525 -2.913 12.078 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.767 -4.970 13.289 1.00 0.00 C ATOM 0 H VAL A 17 2.549 -4.341 12.075 1.00 0.00 H new ATOM 0 HA VAL A 17 4.319 -2.699 13.753 1.00 0.00 H new ATOM 0 HB VAL A 17 5.152 -4.365 11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.405 -3.458 11.738 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.241 -2.177 11.326 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.753 -2.405 13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.658 -5.487 12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.974 -4.517 14.258 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.949 -5.683 13.389 1.00 0.00 H new ATOM 230 N GLN A 18 4.185 -0.811 12.110 1.00 0.00 N ATOM 231 CA GLN A 18 3.927 0.334 11.245 1.00 0.00 C ATOM 232 C GLN A 18 4.778 0.263 9.981 1.00 0.00 C ATOM 233 O GLN A 18 5.989 0.050 10.047 1.00 0.00 O ATOM 234 CB GLN A 18 4.210 1.638 11.992 1.00 0.00 C ATOM 235 CG GLN A 18 3.829 2.883 11.207 1.00 0.00 C ATOM 236 CD GLN A 18 2.345 3.184 11.275 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.606 2.937 10.322 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.900 3.721 12.405 1.00 0.00 N ATOM 0 H GLN A 18 4.689 -0.587 12.968 1.00 0.00 H new ATOM 0 HA GLN A 18 2.876 0.310 10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.664 1.632 12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.271 1.684 12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.387 3.736 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.123 2.755 10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.548 3.909 13.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.910 3.945 12.508 1.00 0.00 H new ATOM 247 N ARG A 19 4.136 0.442 8.831 1.00 0.00 N ATOM 248 CA ARG A 19 4.834 0.397 7.552 1.00 0.00 C ATOM 249 C ARG A 19 4.422 1.569 6.666 1.00 0.00 C ATOM 250 O ARG A 19 3.270 1.664 6.242 1.00 0.00 O ATOM 251 CB ARG A 19 4.545 -0.924 6.835 1.00 0.00 C ATOM 252 CG ARG A 19 5.167 -2.133 7.514 1.00 0.00 C ATOM 253 CD ARG A 19 6.687 -2.070 7.480 1.00 0.00 C ATOM 254 NE ARG A 19 7.297 -3.259 8.069 1.00 0.00 N ATOM 255 CZ ARG A 19 8.597 -3.373 8.315 1.00 0.00 C ATOM 256 NH1 ARG A 19 9.420 -2.375 8.025 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.077 -4.487 8.853 1.00 0.00 N ATOM 0 H ARG A 19 3.134 0.619 8.759 1.00 0.00 H new ATOM 0 HA ARG A 19 5.904 0.470 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.466 -1.067 6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.916 -0.861 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.827 -2.186 8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.828 -3.044 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.022 -1.964 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.025 -1.185 8.018 1.00 0.00 H new ATOM 0 HE ARG A 19 6.691 -4.045 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.055 -1.517 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.418 -2.465 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.447 -5.257 9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.076 -4.573 9.041 1.00 0.00 H new ATOM 271 N ILE A 20 5.370 2.458 6.391 1.00 0.00 N ATOM 272 CA ILE A 20 5.105 3.623 5.556 1.00 0.00 C ATOM 273 C ILE A 20 5.352 3.312 4.084 1.00 0.00 C ATOM 274 O ILE A 20 6.278 2.576 3.741 1.00 0.00 O ATOM 275 CB ILE A 20 5.979 4.822 5.969 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.847 5.085 7.470 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.591 6.059 5.173 1.00 0.00 C ATOM 278 CD1 ILE A 20 4.429 5.380 7.910 1.00 0.00 C ATOM 0 H ILE A 20 6.328 2.394 6.734 1.00 0.00 H new ATOM 0 HA ILE A 20 4.056 3.882 5.699 1.00 0.00 H new ATOM 0 HB ILE A 20 7.020 4.585 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.215 4.217 8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.485 5.926 7.741 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.217 6.898 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.732 5.866 4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.545 6.300 5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.411 5.556 8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.064 6.266 7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.790 4.530 7.671 1.00 0.00 H new ATOM 290 N VAL A 21 4.519 3.878 3.217 1.00 0.00 N ATOM 291 CA VAL A 21 4.648 3.663 1.780 1.00 0.00 C ATOM 292 C VAL A 21 5.013 4.958 1.062 1.00 0.00 C ATOM 293 O VAL A 21 4.274 5.941 1.119 1.00 0.00 O ATOM 294 CB VAL A 21 3.346 3.104 1.177 1.00 0.00 C ATOM 295 CG1 VAL A 21 3.484 2.936 -0.328 1.00 0.00 C ATOM 296 CG2 VAL A 21 2.977 1.784 1.838 1.00 0.00 C ATOM 0 H VAL A 21 3.747 4.489 3.484 1.00 0.00 H new ATOM 0 HA VAL A 21 5.447 2.935 1.639 1.00 0.00 H new ATOM 0 HB VAL A 21 2.543 3.816 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.554 2.540 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.698 3.903 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.299 2.245 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.054 1.403 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.778 1.062 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.833 1.940 2.907 1.00 0.00 H new ATOM 306 N CYS A 22 6.157 4.951 0.387 1.00 0.00 N ATOM 307 CA CYS A 22 6.621 6.125 -0.343 1.00 0.00 C ATOM 308 C CYS A 22 6.486 5.918 -1.848 1.00 0.00 C ATOM 309 O CYS A 22 6.588 4.796 -2.342 1.00 0.00 O ATOM 310 CB CYS A 22 8.077 6.431 0.013 1.00 0.00 C ATOM 311 SG CYS A 22 9.255 5.187 -0.564 1.00 0.00 S ATOM 0 H CYS A 22 6.780 4.145 0.330 1.00 0.00 H new ATOM 0 HA CYS A 22 5.998 6.971 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.348 7.397 -0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.163 6.523 1.096 1.00 0.00 H new ATOM 0 HG CYS A 22 8.687 4.433 -1.458 1.00 0.00 H new ATOM 317 N GLY A 23 6.255 7.009 -2.572 1.00 0.00 N ATOM 318 CA GLY A 23 6.108 6.925 -4.014 1.00 0.00 C ATOM 319 C GLY A 23 4.684 6.621 -4.434 1.00 0.00 C ATOM 320 O GLY A 23 4.451 6.053 -5.501 1.00 0.00 O ATOM 0 H GLY A 23 6.167 7.949 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.423 7.866 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.771 6.150 -4.399 1.00 0.00 H new ATOM 324 N VAL A 24 3.726 6.999 -3.593 1.00 0.00 N ATOM 325 CA VAL A 24 2.317 6.763 -3.883 1.00 0.00 C ATOM 326 C VAL A 24 1.663 8.004 -4.480 1.00 0.00 C ATOM 327 O VAL A 24 2.020 9.133 -4.139 1.00 0.00 O ATOM 328 CB VAL A 24 1.545 6.349 -2.616 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.785 7.348 -1.494 1.00 0.00 C ATOM 330 CG2 VAL A 24 0.060 6.218 -2.917 1.00 0.00 C ATOM 0 H VAL A 24 3.901 7.470 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 24 2.275 5.950 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 24 1.913 5.377 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.232 7.039 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.849 7.386 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.446 8.335 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.470 5.925 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.325 7.175 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.090 5.460 -3.686 1.00 0.00 H new ATOM 340 N THR A 25 0.703 7.789 -5.374 1.00 0.00 N ATOM 341 CA THR A 25 -0.001 8.890 -6.019 1.00 0.00 C ATOM 342 C THR A 25 -1.489 8.588 -6.153 1.00 0.00 C ATOM 343 O THR A 25 -1.923 7.457 -5.940 1.00 0.00 O ATOM 344 CB THR A 25 0.579 9.185 -7.416 1.00 0.00 C ATOM 345 OG1 THR A 25 0.518 8.009 -8.230 1.00 0.00 O ATOM 346 CG2 THR A 25 2.020 9.663 -7.314 1.00 0.00 C ATOM 0 H THR A 25 0.395 6.862 -5.668 1.00 0.00 H new ATOM 0 HA THR A 25 0.133 9.766 -5.385 1.00 0.00 H new ATOM 0 HB THR A 25 -0.017 9.974 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.887 8.205 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.408 9.865 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.060 10.575 -6.718 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.626 8.892 -6.838 1.00 0.00 H new ATOM 354 N GLU A 26 -2.265 9.607 -6.507 1.00 0.00 N ATOM 355 CA GLU A 26 -3.706 9.449 -6.669 1.00 0.00 C ATOM 356 C GLU A 26 -4.028 8.196 -7.478 1.00 0.00 C ATOM 357 O GLU A 26 -4.933 7.436 -7.133 1.00 0.00 O ATOM 358 CB GLU A 26 -4.303 10.680 -7.355 1.00 0.00 C ATOM 359 CG GLU A 26 -4.228 11.942 -6.512 1.00 0.00 C ATOM 360 CD GLU A 26 -5.038 13.083 -7.097 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.019 13.252 -8.334 1.00 0.00 O ATOM 362 OE2 GLU A 26 -5.693 13.806 -6.317 1.00 0.00 O ATOM 0 H GLU A 26 -1.921 10.550 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.148 9.345 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.781 10.850 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.346 10.479 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.587 11.725 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.187 12.251 -6.419 1.00 0.00 H new ATOM 369 N VAL A 27 -3.281 7.987 -8.557 1.00 0.00 N ATOM 370 CA VAL A 27 -3.486 6.827 -9.416 1.00 0.00 C ATOM 371 C VAL A 27 -3.359 5.529 -8.626 1.00 0.00 C ATOM 372 O VAL A 27 -4.203 4.639 -8.732 1.00 0.00 O ATOM 373 CB VAL A 27 -2.479 6.806 -10.581 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.665 5.555 -11.426 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.623 8.059 -11.431 1.00 0.00 C ATOM 0 H VAL A 27 -2.528 8.606 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.495 6.907 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.471 6.789 -10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.945 5.558 -12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.508 4.671 -10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.676 5.538 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.904 8.028 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.633 8.109 -11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.435 8.939 -10.816 1.00 0.00 H new ATOM 385 N THR A 28 -2.298 5.428 -7.831 1.00 0.00 N ATOM 386 CA THR A 28 -2.059 4.239 -7.023 1.00 0.00 C ATOM 387 C THR A 28 -3.306 3.848 -6.238 1.00 0.00 C ATOM 388 O THR A 28 -3.653 4.486 -5.243 1.00 0.00 O ATOM 389 CB THR A 28 -0.894 4.453 -6.039 1.00 0.00 C ATOM 390 OG1 THR A 28 0.299 4.786 -6.757 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.656 3.206 -5.201 1.00 0.00 C ATOM 0 H THR A 28 -1.591 6.156 -7.730 1.00 0.00 H new ATOM 0 HA THR A 28 -1.800 3.436 -7.713 1.00 0.00 H new ATOM 0 HB THR A 28 -1.158 5.274 -5.372 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.035 4.922 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.172 3.382 -4.514 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.556 2.972 -4.633 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.413 2.369 -5.855 1.00 0.00 H new ATOM 399 N THR A 29 -3.978 2.794 -6.691 1.00 0.00 N ATOM 400 CA THR A 29 -5.188 2.318 -6.031 1.00 0.00 C ATOM 401 C THR A 29 -4.851 1.472 -4.809 1.00 0.00 C ATOM 402 O THR A 29 -3.701 1.073 -4.616 1.00 0.00 O ATOM 403 CB THR A 29 -6.062 1.489 -6.991 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.339 0.337 -7.440 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.492 2.323 -8.188 1.00 0.00 C ATOM 0 H THR A 29 -3.705 2.254 -7.512 1.00 0.00 H new ATOM 0 HA THR A 29 -5.744 3.201 -5.716 1.00 0.00 H new ATOM 0 HB THR A 29 -6.954 1.170 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.902 -0.186 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.108 1.716 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.067 3.183 -7.845 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.610 2.668 -8.727 1.00 0.00 H new ATOM 413 N CYS A 30 -5.858 1.200 -3.987 1.00 0.00 N ATOM 414 CA CYS A 30 -5.668 0.400 -2.783 1.00 0.00 C ATOM 415 C CYS A 30 -4.868 -0.862 -3.089 1.00 0.00 C ATOM 416 O CYS A 30 -3.977 -1.242 -2.330 1.00 0.00 O ATOM 417 CB CYS A 30 -7.021 0.026 -2.175 1.00 0.00 C ATOM 418 SG CYS A 30 -7.657 1.233 -0.990 1.00 0.00 S ATOM 0 H CYS A 30 -6.815 1.522 -4.132 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.108 0.998 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.747 -0.095 -2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.930 -0.940 -1.679 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.940 1.074 -0.855 1.00 0.00 H new ATOM 424 N GLN A 31 -5.194 -1.507 -4.204 1.00 0.00 N ATOM 425 CA GLN A 31 -4.506 -2.728 -4.609 1.00 0.00 C ATOM 426 C GLN A 31 -3.038 -2.450 -4.914 1.00 0.00 C ATOM 427 O GLN A 31 -2.155 -3.195 -4.490 1.00 0.00 O ATOM 428 CB GLN A 31 -5.187 -3.339 -5.834 1.00 0.00 C ATOM 429 CG GLN A 31 -4.989 -4.842 -5.954 1.00 0.00 C ATOM 430 CD GLN A 31 -5.472 -5.390 -7.283 1.00 0.00 C ATOM 431 OE1 GLN A 31 -6.664 -5.354 -7.586 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.545 -5.902 -8.083 1.00 0.00 N ATOM 0 H GLN A 31 -5.930 -1.205 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.558 -3.436 -3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.255 -3.124 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.801 -2.857 -6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.932 -5.076 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.522 -5.341 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.568 -5.911 -7.791 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.810 -6.286 -8.990 1.00 0.00 H new ATOM 441 N GLU A 32 -2.785 -1.374 -5.652 1.00 0.00 N ATOM 442 CA GLU A 32 -1.423 -0.999 -6.014 1.00 0.00 C ATOM 443 C GLU A 32 -0.587 -0.719 -4.769 1.00 0.00 C ATOM 444 O GLU A 32 0.640 -0.640 -4.837 1.00 0.00 O ATOM 445 CB GLU A 32 -1.434 0.232 -6.923 1.00 0.00 C ATOM 446 CG GLU A 32 -1.605 -0.100 -8.396 1.00 0.00 C ATOM 447 CD GLU A 32 -0.291 -0.437 -9.074 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.752 0.106 -8.653 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.306 -1.244 -10.027 1.00 0.00 O ATOM 0 H GLU A 32 -3.505 -0.747 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.974 -1.834 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.242 0.895 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.502 0.781 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.289 -0.943 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.065 0.747 -8.905 1.00 0.00 H new ATOM 456 N VAL A 33 -1.259 -0.570 -3.633 1.00 0.00 N ATOM 457 CA VAL A 33 -0.579 -0.299 -2.372 1.00 0.00 C ATOM 458 C VAL A 33 -0.224 -1.594 -1.650 1.00 0.00 C ATOM 459 O VAL A 33 0.933 -1.825 -1.298 1.00 0.00 O ATOM 460 CB VAL A 33 -1.445 0.573 -1.443 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.731 0.820 -0.123 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.797 1.887 -2.123 1.00 0.00 C ATOM 0 H VAL A 33 -2.274 -0.632 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 33 0.336 0.241 -2.616 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.372 0.040 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.358 1.438 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.535 -0.133 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.213 1.333 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.409 2.491 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.882 2.428 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.353 1.685 -3.039 1.00 0.00 H new ATOM 472 N VAL A 34 -1.228 -2.438 -1.431 1.00 0.00 N ATOM 473 CA VAL A 34 -1.022 -3.712 -0.752 1.00 0.00 C ATOM 474 C VAL A 34 -0.009 -4.574 -1.496 1.00 0.00 C ATOM 475 O VAL A 34 0.738 -5.338 -0.885 1.00 0.00 O ATOM 476 CB VAL A 34 -2.342 -4.494 -0.614 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.446 -3.590 -0.086 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.738 -5.109 -1.948 1.00 0.00 C ATOM 0 H VAL A 34 -2.192 -2.262 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.638 -3.482 0.242 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.193 -5.301 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.371 -4.160 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.162 -3.202 0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.598 -2.760 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.673 -5.658 -1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.870 -4.319 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.956 -5.791 -2.281 1.00 0.00 H new ATOM 488 N ILE A 35 0.012 -4.445 -2.819 1.00 0.00 N ATOM 489 CA ILE A 35 0.935 -5.211 -3.646 1.00 0.00 C ATOM 490 C ILE A 35 2.383 -4.856 -3.327 1.00 0.00 C ATOM 491 O ILE A 35 3.233 -5.736 -3.193 1.00 0.00 O ATOM 492 CB ILE A 35 0.679 -4.971 -5.146 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.589 -5.702 -5.592 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.876 -5.426 -5.967 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.932 -5.483 -7.049 1.00 0.00 C ATOM 0 H ILE A 35 -0.600 -3.817 -3.340 1.00 0.00 H new ATOM 0 HA ILE A 35 0.762 -6.263 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 35 0.537 -3.903 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.465 -6.770 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.425 -5.371 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.680 -5.250 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.760 -4.865 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.047 -6.490 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.842 -6.031 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.088 -4.420 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.113 -5.841 -7.673 1.00 0.00 H new ATOM 507 N ALA A 36 2.657 -3.561 -3.204 1.00 0.00 N ATOM 508 CA ALA A 36 4.001 -3.090 -2.896 1.00 0.00 C ATOM 509 C ALA A 36 4.507 -3.690 -1.588 1.00 0.00 C ATOM 510 O ALA A 36 5.713 -3.845 -1.390 1.00 0.00 O ATOM 511 CB ALA A 36 4.025 -1.571 -2.827 1.00 0.00 C ATOM 0 H ALA A 36 1.965 -2.819 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 36 4.666 -3.416 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.035 -1.233 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.715 -1.158 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.342 -1.231 -2.048 1.00 0.00 H new ATOM 517 N LEU A 37 3.579 -4.024 -0.698 1.00 0.00 N ATOM 518 CA LEU A 37 3.931 -4.606 0.592 1.00 0.00 C ATOM 519 C LEU A 37 4.168 -6.107 0.466 1.00 0.00 C ATOM 520 O LEU A 37 5.182 -6.627 0.932 1.00 0.00 O ATOM 521 CB LEU A 37 2.824 -4.337 1.614 1.00 0.00 C ATOM 522 CG LEU A 37 2.907 -3.004 2.358 1.00 0.00 C ATOM 523 CD1 LEU A 37 4.172 -2.941 3.199 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.858 -1.842 1.377 1.00 0.00 C ATOM 0 H LEU A 37 2.577 -3.902 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 37 4.855 -4.139 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.864 -4.384 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.832 -5.142 2.349 1.00 0.00 H new ATOM 0 HG LEU A 37 2.048 -2.927 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.214 -1.985 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.166 -3.752 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.044 -3.040 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.918 -0.901 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.697 -1.914 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.923 -1.877 0.818 1.00 0.00 H new ATOM 536 N ALA A 38 3.228 -6.798 -0.170 1.00 0.00 N ATOM 537 CA ALA A 38 3.337 -8.239 -0.362 1.00 0.00 C ATOM 538 C ALA A 38 4.542 -8.588 -1.229 1.00 0.00 C ATOM 539 O ALA A 38 5.204 -9.601 -1.007 1.00 0.00 O ATOM 540 CB ALA A 38 2.060 -8.787 -0.983 1.00 0.00 C ATOM 0 H ALA A 38 2.382 -6.383 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 38 3.480 -8.701 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.155 -9.864 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.217 -8.579 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.892 -8.311 -1.949 1.00 0.00 H new ATOM 546 N GLN A 39 4.818 -7.743 -2.217 1.00 0.00 N ATOM 547 CA GLN A 39 5.943 -7.964 -3.118 1.00 0.00 C ATOM 548 C GLN A 39 7.268 -7.867 -2.368 1.00 0.00 C ATOM 549 O GLN A 39 8.191 -8.643 -2.617 1.00 0.00 O ATOM 550 CB GLN A 39 5.915 -6.949 -4.261 1.00 0.00 C ATOM 551 CG GLN A 39 6.174 -5.520 -3.813 1.00 0.00 C ATOM 552 CD GLN A 39 6.270 -4.551 -4.975 1.00 0.00 C ATOM 553 OE1 GLN A 39 5.416 -4.542 -5.862 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.313 -3.729 -4.977 1.00 0.00 N ATOM 0 H GLN A 39 4.279 -6.900 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 39 5.853 -8.968 -3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.663 -7.229 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.944 -6.996 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.373 -5.202 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.100 -5.486 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.997 -3.771 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.430 -3.056 -5.734 1.00 0.00 H new ATOM 563 N ALA A 40 7.355 -6.910 -1.451 1.00 0.00 N ATOM 564 CA ALA A 40 8.566 -6.713 -0.664 1.00 0.00 C ATOM 565 C ALA A 40 8.814 -7.895 0.267 1.00 0.00 C ATOM 566 O ALA A 40 9.920 -8.435 0.318 1.00 0.00 O ATOM 567 CB ALA A 40 8.473 -5.421 0.134 1.00 0.00 C ATOM 0 H ALA A 40 6.601 -6.258 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 40 9.409 -6.642 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.384 -5.287 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.352 -4.580 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.616 -5.469 0.806 1.00 0.00 H new ATOM 573 N ILE A 41 7.780 -8.291 1.001 1.00 0.00 N ATOM 574 CA ILE A 41 7.887 -9.410 1.930 1.00 0.00 C ATOM 575 C ILE A 41 7.941 -10.739 1.185 1.00 0.00 C ATOM 576 O ILE A 41 8.565 -11.695 1.644 1.00 0.00 O ATOM 577 CB ILE A 41 6.707 -9.436 2.918 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.385 -9.599 2.165 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.691 -8.167 3.757 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.182 -9.721 3.073 1.00 0.00 C ATOM 0 H ILE A 41 6.859 -7.854 0.971 1.00 0.00 H new ATOM 0 HA ILE A 41 8.813 -9.270 2.487 1.00 0.00 H new ATOM 0 HB ILE A 41 6.831 -10.289 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.245 -8.744 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.444 -10.485 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.851 -8.200 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.622 -8.090 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.588 -7.300 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.281 -9.834 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.299 -10.593 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.098 -8.825 3.688 1.00 0.00 H new ATOM 592 N GLY A 42 7.284 -10.792 0.030 1.00 0.00 N ATOM 593 CA GLY A 42 7.271 -12.008 -0.761 1.00 0.00 C ATOM 594 C GLY A 42 6.358 -13.069 -0.179 1.00 0.00 C ATOM 595 O GLY A 42 5.553 -13.665 -0.895 1.00 0.00 O ATOM 0 H GLY A 42 6.761 -10.014 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.950 -11.774 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.284 -12.403 -0.830 1.00 0.00 H new ATOM 599 N ARG A 43 6.484 -13.307 1.123 1.00 0.00 N ATOM 600 CA ARG A 43 5.666 -14.305 1.800 1.00 0.00 C ATOM 601 C ARG A 43 4.266 -14.362 1.194 1.00 0.00 C ATOM 602 O ARG A 43 3.703 -15.441 1.004 1.00 0.00 O ATOM 603 CB ARG A 43 5.574 -13.992 3.294 1.00 0.00 C ATOM 604 CG ARG A 43 6.912 -14.051 4.012 1.00 0.00 C ATOM 605 CD ARG A 43 7.365 -15.486 4.228 1.00 0.00 C ATOM 606 NE ARG A 43 8.537 -15.565 5.096 1.00 0.00 N ATOM 607 CZ ARG A 43 9.748 -15.154 4.736 1.00 0.00 C ATOM 608 NH1 ARG A 43 9.945 -14.637 3.531 1.00 0.00 N ATOM 609 NH2 ARG A 43 10.765 -15.259 5.582 1.00 0.00 N ATOM 0 H ARG A 43 7.145 -12.822 1.730 1.00 0.00 H new ATOM 0 HA ARG A 43 6.141 -15.277 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.146 -12.998 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.888 -14.698 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.662 -13.515 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.833 -13.545 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.550 -16.061 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.595 -15.942 3.265 1.00 0.00 H new ATOM 0 HE ARG A 43 8.419 -15.957 6.030 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.166 -14.554 2.878 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.876 -14.322 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.618 -15.656 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.694 -14.943 5.304 1.00 0.00 H new ATOM 623 N THR A 44 3.709 -13.193 0.893 1.00 0.00 N ATOM 624 CA THR A 44 2.375 -13.109 0.311 1.00 0.00 C ATOM 625 C THR A 44 2.345 -12.127 -0.855 1.00 0.00 C ATOM 626 O THR A 44 3.186 -11.234 -0.948 1.00 0.00 O ATOM 627 CB THR A 44 1.331 -12.679 1.358 1.00 0.00 C ATOM 628 OG1 THR A 44 1.277 -13.639 2.419 1.00 0.00 O ATOM 629 CG2 THR A 44 -0.044 -12.537 0.724 1.00 0.00 C ATOM 0 H THR A 44 4.161 -12.291 1.043 1.00 0.00 H new ATOM 0 HA THR A 44 2.125 -14.106 -0.051 1.00 0.00 H new ATOM 0 HB THR A 44 1.629 -11.711 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.612 -13.357 3.081 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.765 -12.233 1.483 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.006 -11.784 -0.063 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.348 -13.493 0.297 1.00 0.00 H new ATOM 637 N GLY A 45 1.369 -12.298 -1.741 1.00 0.00 N ATOM 638 CA GLY A 45 1.247 -11.418 -2.889 1.00 0.00 C ATOM 639 C GLY A 45 0.060 -10.482 -2.779 1.00 0.00 C ATOM 640 O GLY A 45 0.177 -9.287 -3.047 1.00 0.00 O ATOM 0 H GLY A 45 0.661 -13.030 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.160 -10.831 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.150 -12.018 -3.794 1.00 0.00 H new ATOM 644 N ARG A 46 -1.086 -11.027 -2.384 1.00 0.00 N ATOM 645 CA ARG A 46 -2.301 -10.233 -2.242 1.00 0.00 C ATOM 646 C ARG A 46 -2.666 -10.056 -0.771 1.00 0.00 C ATOM 647 O ARG A 46 -2.625 -11.009 0.008 1.00 0.00 O ATOM 648 CB ARG A 46 -3.459 -10.895 -2.990 1.00 0.00 C ATOM 649 CG ARG A 46 -4.683 -10.004 -3.129 1.00 0.00 C ATOM 650 CD ARG A 46 -4.590 -9.121 -4.364 1.00 0.00 C ATOM 651 NE ARG A 46 -5.899 -8.626 -4.782 1.00 0.00 N ATOM 652 CZ ARG A 46 -6.746 -9.327 -5.527 1.00 0.00 C ATOM 653 NH1 ARG A 46 -6.423 -10.547 -5.934 1.00 0.00 N ATOM 654 NH2 ARG A 46 -7.919 -8.808 -5.867 1.00 0.00 N ATOM 0 H ARG A 46 -1.199 -12.015 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.115 -9.249 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.119 -11.188 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.743 -11.809 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.579 -10.621 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.784 -9.380 -2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.932 -8.277 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.138 -9.685 -5.180 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.178 -7.691 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.522 -10.949 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.075 -11.083 -6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.171 -7.870 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.569 -9.347 -6.439 1.00 0.00 H new ATOM 668 N TYR A 47 -3.021 -8.832 -0.398 1.00 0.00 N ATOM 669 CA TYR A 47 -3.390 -8.530 0.980 1.00 0.00 C ATOM 670 C TYR A 47 -4.723 -7.789 1.037 1.00 0.00 C ATOM 671 O TYR A 47 -5.347 -7.528 0.008 1.00 0.00 O ATOM 672 CB TYR A 47 -2.300 -7.693 1.651 1.00 0.00 C ATOM 673 CG TYR A 47 -1.237 -8.521 2.337 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.445 -9.037 3.610 1.00 0.00 C ATOM 675 CD2 TYR A 47 -0.024 -8.787 1.713 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.477 -9.793 4.242 1.00 0.00 C ATOM 677 CE2 TYR A 47 0.949 -9.543 2.336 1.00 0.00 C ATOM 678 CZ TYR A 47 0.718 -10.044 3.600 1.00 0.00 C ATOM 679 OH TYR A 47 1.686 -10.797 4.225 1.00 0.00 O ATOM 0 H TYR A 47 -3.061 -8.033 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.496 -9.473 1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.827 -7.059 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.761 -7.030 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.380 -8.844 4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.161 -8.396 0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.655 -10.185 5.233 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.886 -9.741 1.836 1.00 0.00 H new ATOM 0 HH TYR A 47 1.556 -11.743 4.006 1.00 0.00 H new ATOM 689 N THR A 48 -5.154 -7.452 2.249 1.00 0.00 N ATOM 690 CA THR A 48 -6.412 -6.742 2.443 1.00 0.00 C ATOM 691 C THR A 48 -6.203 -5.463 3.246 1.00 0.00 C ATOM 692 O THR A 48 -5.303 -5.384 4.083 1.00 0.00 O ATOM 693 CB THR A 48 -7.449 -7.624 3.163 1.00 0.00 C ATOM 694 OG1 THR A 48 -7.978 -8.597 2.256 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.582 -6.777 3.724 1.00 0.00 C ATOM 0 H THR A 48 -4.650 -7.660 3.111 1.00 0.00 H new ATOM 0 HA THR A 48 -6.788 -6.488 1.452 1.00 0.00 H new ATOM 0 HB THR A 48 -6.952 -8.131 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.635 -9.155 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.303 -7.421 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.179 -6.056 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.077 -6.246 2.911 1.00 0.00 H new ATOM 703 N LEU A 49 -7.040 -4.465 2.987 1.00 0.00 N ATOM 704 CA LEU A 49 -6.948 -3.188 3.687 1.00 0.00 C ATOM 705 C LEU A 49 -8.182 -2.951 4.551 1.00 0.00 C ATOM 706 O LEU A 49 -9.296 -3.314 4.173 1.00 0.00 O ATOM 707 CB LEU A 49 -6.785 -2.045 2.685 1.00 0.00 C ATOM 708 CG LEU A 49 -5.359 -1.770 2.205 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.374 -0.901 0.957 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.543 -1.111 3.307 1.00 0.00 C ATOM 0 H LEU A 49 -7.790 -4.515 2.298 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.073 -3.220 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.405 -2.261 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.177 -1.134 3.137 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.891 -2.722 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.351 -0.716 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.921 -1.412 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.861 0.048 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.531 -0.923 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.009 -0.167 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.503 -1.770 4.174 1.00 0.00 H new ATOM 722 N ILE A 50 -7.977 -2.337 5.712 1.00 0.00 N ATOM 723 CA ILE A 50 -9.073 -2.048 6.627 1.00 0.00 C ATOM 724 C ILE A 50 -8.816 -0.762 7.405 1.00 0.00 C ATOM 725 O ILE A 50 -7.752 -0.586 7.998 1.00 0.00 O ATOM 726 CB ILE A 50 -9.294 -3.201 7.623 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.576 -4.505 6.873 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.438 -2.871 8.571 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.598 -5.724 7.768 1.00 0.00 C ATOM 0 H ILE A 50 -7.061 -2.030 6.041 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.969 -1.928 6.017 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.386 -3.331 8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.536 -4.421 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.817 -4.643 6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.582 -3.696 9.269 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.200 -1.963 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.352 -2.717 7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.803 -6.611 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.631 -5.833 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.376 -5.607 8.522 1.00 0.00 H new ATOM 741 N GLU A 51 -9.798 0.134 7.399 1.00 0.00 N ATOM 742 CA GLU A 51 -9.677 1.404 8.106 1.00 0.00 C ATOM 743 C GLU A 51 -10.468 1.378 9.410 1.00 0.00 C ATOM 744 O GLU A 51 -11.691 1.522 9.412 1.00 0.00 O ATOM 745 CB GLU A 51 -10.167 2.553 7.222 1.00 0.00 C ATOM 746 CG GLU A 51 -11.262 2.149 6.250 1.00 0.00 C ATOM 747 CD GLU A 51 -12.127 3.320 5.826 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.922 4.431 6.358 1.00 0.00 O ATOM 749 OE2 GLU A 51 -13.008 3.126 4.962 1.00 0.00 O ATOM 0 H GLU A 51 -10.685 0.004 6.913 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.625 1.560 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.536 3.358 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.323 2.953 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.810 1.697 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.890 1.387 6.712 1.00 0.00 H new ATOM 756 N LYS A 52 -9.762 1.193 10.520 1.00 0.00 N ATOM 757 CA LYS A 52 -10.395 1.149 11.833 1.00 0.00 C ATOM 758 C LYS A 52 -10.437 2.537 12.464 1.00 0.00 C ATOM 759 O LYS A 52 -9.399 3.111 12.791 1.00 0.00 O ATOM 760 CB LYS A 52 -9.645 0.182 12.751 1.00 0.00 C ATOM 761 CG LYS A 52 -10.127 0.213 14.191 1.00 0.00 C ATOM 762 CD LYS A 52 -9.495 -0.896 15.015 1.00 0.00 C ATOM 763 CE LYS A 52 -9.947 -0.839 16.467 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.261 -1.864 17.302 1.00 0.00 N ATOM 0 H LYS A 52 -8.749 1.071 10.537 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.419 0.797 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.752 -0.831 12.363 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.582 0.422 12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.887 1.179 14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.212 0.112 14.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.759 -1.864 14.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.409 -0.813 14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.746 0.153 16.871 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.025 -0.991 16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.596 -1.793 18.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.473 -2.812 16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.234 -1.704 17.274 1.00 0.00 H new ATOM 778 N TRP A 53 -11.642 3.069 12.632 1.00 0.00 N ATOM 779 CA TRP A 53 -11.818 4.389 13.226 1.00 0.00 C ATOM 780 C TRP A 53 -13.024 4.410 14.159 1.00 0.00 C ATOM 781 O TRP A 53 -14.071 3.843 13.848 1.00 0.00 O ATOM 782 CB TRP A 53 -11.987 5.444 12.132 1.00 0.00 C ATOM 783 CG TRP A 53 -12.529 6.746 12.640 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.808 7.810 13.101 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.908 7.119 12.740 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.656 8.822 13.482 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.949 8.424 13.270 1.00 0.00 C ATOM 788 CE3 TRP A 53 -15.112 6.479 12.432 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -15.146 9.097 13.498 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.299 7.149 12.660 1.00 0.00 C ATOM 791 CH2 TRP A 53 -16.309 8.447 13.188 1.00 0.00 C ATOM 0 H TRP A 53 -12.511 2.607 12.365 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.927 4.619 13.809 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.022 5.621 11.656 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.655 5.056 11.363 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.730 7.850 13.158 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -12.369 9.724 13.862 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.115 5.479 12.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -15.156 10.097 13.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.235 6.664 12.427 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -17.253 8.944 13.353 1.00 0.00 H new ATOM 802 N ARG A 54 -12.869 5.066 15.305 1.00 0.00 N ATOM 803 CA ARG A 54 -13.945 5.159 16.284 1.00 0.00 C ATOM 804 C ARG A 54 -14.697 3.836 16.392 1.00 0.00 C ATOM 805 O ARG A 54 -15.928 3.810 16.412 1.00 0.00 O ATOM 806 CB ARG A 54 -14.914 6.280 15.902 1.00 0.00 C ATOM 807 CG ARG A 54 -15.572 6.949 17.098 1.00 0.00 C ATOM 808 CD ARG A 54 -16.934 7.521 16.737 1.00 0.00 C ATOM 809 NE ARG A 54 -17.977 6.499 16.746 1.00 0.00 N ATOM 810 CZ ARG A 54 -19.274 6.773 16.815 1.00 0.00 C ATOM 811 NH1 ARG A 54 -19.687 8.032 16.880 1.00 0.00 N ATOM 812 NH2 ARG A 54 -20.163 5.788 16.818 1.00 0.00 N ATOM 0 H ARG A 54 -12.008 5.541 15.578 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.502 5.385 17.254 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.377 7.033 15.325 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.689 5.874 15.252 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.683 6.225 17.906 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.928 7.746 17.470 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.194 8.310 17.442 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.884 7.979 15.749 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.693 5.521 16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.007 8.793 16.877 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -20.684 8.240 16.933 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.850 4.818 16.767 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -21.159 6.000 16.871 1.00 0.00 H new ATOM 826 N ASP A 55 -13.949 2.741 16.461 1.00 0.00 N ATOM 827 CA ASP A 55 -14.545 1.414 16.568 1.00 0.00 C ATOM 828 C ASP A 55 -15.343 1.074 15.314 1.00 0.00 C ATOM 829 O ASP A 55 -16.377 0.408 15.383 1.00 0.00 O ATOM 830 CB ASP A 55 -15.448 1.335 17.800 1.00 0.00 C ATOM 831 CG ASP A 55 -14.824 1.985 19.019 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.051 1.303 19.724 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.109 3.175 19.268 1.00 0.00 O ATOM 0 H ASP A 55 -12.929 2.745 16.445 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.739 0.688 16.671 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -16.400 1.819 17.581 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.666 0.290 18.021 1.00 0.00 H new ATOM 838 N THR A 56 -14.858 1.536 14.166 1.00 0.00 N ATOM 839 CA THR A 56 -15.526 1.284 12.896 1.00 0.00 C ATOM 840 C THR A 56 -14.534 0.827 11.833 1.00 0.00 C ATOM 841 O THR A 56 -13.767 1.629 11.302 1.00 0.00 O ATOM 842 CB THR A 56 -16.262 2.538 12.389 1.00 0.00 C ATOM 843 OG1 THR A 56 -17.203 2.985 13.371 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.984 2.251 11.081 1.00 0.00 C ATOM 0 H THR A 56 -14.003 2.088 14.090 1.00 0.00 H new ATOM 0 HA THR A 56 -16.253 0.492 13.075 1.00 0.00 H new ATOM 0 HB THR A 56 -15.522 3.319 12.213 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.665 3.784 13.041 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.496 3.152 10.743 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.261 1.940 10.327 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.713 1.455 11.235 1.00 0.00 H new ATOM 852 N GLU A 57 -14.554 -0.467 11.528 1.00 0.00 N ATOM 853 CA GLU A 57 -13.655 -1.030 10.528 1.00 0.00 C ATOM 854 C GLU A 57 -14.441 -1.668 9.386 1.00 0.00 C ATOM 855 O GLU A 57 -15.506 -2.248 9.600 1.00 0.00 O ATOM 856 CB GLU A 57 -12.730 -2.067 11.167 1.00 0.00 C ATOM 857 CG GLU A 57 -13.470 -3.226 11.813 1.00 0.00 C ATOM 858 CD GLU A 57 -14.006 -2.882 13.189 1.00 0.00 C ATOM 859 OE1 GLU A 57 -13.225 -2.940 14.162 1.00 0.00 O ATOM 860 OE2 GLU A 57 -15.207 -2.554 13.293 1.00 0.00 O ATOM 0 H GLU A 57 -15.183 -1.145 11.959 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.052 -0.218 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.055 -2.457 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.113 -1.576 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.297 -3.528 11.170 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.799 -4.082 11.892 1.00 0.00 H new ATOM 867 N ARG A 58 -13.909 -1.556 8.174 1.00 0.00 N ATOM 868 CA ARG A 58 -14.561 -2.120 6.998 1.00 0.00 C ATOM 869 C ARG A 58 -13.561 -2.314 5.862 1.00 0.00 C ATOM 870 O ARG A 58 -12.721 -1.450 5.605 1.00 0.00 O ATOM 871 CB ARG A 58 -15.703 -1.213 6.537 1.00 0.00 C ATOM 872 CG ARG A 58 -16.286 -1.604 5.189 1.00 0.00 C ATOM 873 CD ARG A 58 -17.732 -1.154 5.056 1.00 0.00 C ATOM 874 NE ARG A 58 -18.141 -1.033 3.659 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.398 -0.835 3.276 1.00 0.00 C ATOM 876 NH1 ARG A 58 -20.362 -0.735 4.180 1.00 0.00 N ATOM 877 NH2 ARG A 58 -19.691 -0.735 1.986 1.00 0.00 N ATOM 0 H ARG A 58 -13.028 -1.080 7.980 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.967 -3.094 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.495 -1.232 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.341 -0.186 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.691 -1.160 4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.228 -2.685 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.382 -1.867 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.860 -0.194 5.556 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.423 -1.104 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.140 -0.810 5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.326 -0.583 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.951 -0.810 1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.656 -0.583 1.692 1.00 0.00 H new ATOM 891 N HIS A 59 -13.655 -3.454 5.184 1.00 0.00 N ATOM 892 CA HIS A 59 -12.759 -3.761 4.076 1.00 0.00 C ATOM 893 C HIS A 59 -12.877 -2.711 2.975 1.00 0.00 C ATOM 894 O HIS A 59 -13.958 -2.175 2.727 1.00 0.00 O ATOM 895 CB HIS A 59 -13.070 -5.147 3.510 1.00 0.00 C ATOM 896 CG HIS A 59 -12.555 -6.269 4.357 1.00 0.00 C ATOM 897 ND1 HIS A 59 -11.967 -7.400 3.832 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.541 -6.429 5.702 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.615 -8.208 4.817 1.00 0.00 C ATOM 900 NE2 HIS A 59 -11.952 -7.642 5.961 1.00 0.00 N ATOM 0 H HIS A 59 -14.343 -4.180 5.383 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.737 -3.752 4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.149 -5.252 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.639 -5.228 2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.922 -5.732 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.133 -9.168 4.705 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.800 -8.041 6.887 1.00 0.00 H new ATOM 909 N LEU A 60 -11.759 -2.421 2.319 1.00 0.00 N ATOM 910 CA LEU A 60 -11.736 -1.434 1.244 1.00 0.00 C ATOM 911 C LEU A 60 -11.700 -2.115 -0.120 1.00 0.00 C ATOM 912 O LEU A 60 -11.242 -3.250 -0.246 1.00 0.00 O ATOM 913 CB LEU A 60 -10.526 -0.511 1.399 1.00 0.00 C ATOM 914 CG LEU A 60 -10.559 0.444 2.593 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.198 1.092 2.795 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.632 1.505 2.398 1.00 0.00 C ATOM 0 H LEU A 60 -10.856 -2.855 2.512 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.648 -0.841 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.631 -1.128 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.426 0.080 0.489 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.802 -0.131 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.240 1.768 3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.451 0.320 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.926 1.653 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.641 2.176 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.419 2.076 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.606 1.025 2.303 1.00 0.00 H new ATOM 928 N ALA A 61 -12.184 -1.413 -1.139 1.00 0.00 N ATOM 929 CA ALA A 61 -12.202 -1.948 -2.495 1.00 0.00 C ATOM 930 C ALA A 61 -10.829 -1.837 -3.148 1.00 0.00 C ATOM 931 O ALA A 61 -10.079 -0.888 -2.917 1.00 0.00 O ATOM 932 CB ALA A 61 -13.247 -1.226 -3.333 1.00 0.00 C ATOM 0 H ALA A 61 -12.569 -0.472 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.464 -3.005 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.250 -1.635 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.231 -1.362 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.010 -0.163 -3.373 1.00 0.00 H new ATOM 938 N PRO A 62 -10.488 -2.829 -3.983 1.00 0.00 N ATOM 939 CA PRO A 62 -9.202 -2.865 -4.687 1.00 0.00 C ATOM 940 C PRO A 62 -9.101 -1.791 -5.765 1.00 0.00 C ATOM 941 O PRO A 62 -8.008 -1.466 -6.230 1.00 0.00 O ATOM 942 CB PRO A 62 -9.182 -4.260 -5.318 1.00 0.00 C ATOM 943 CG PRO A 62 -10.618 -4.629 -5.467 1.00 0.00 C ATOM 944 CD PRO A 62 -11.331 -3.992 -4.306 1.00 0.00 C ATOM 0 HA PRO A 62 -8.364 -2.674 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.673 -4.251 -6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.654 -4.973 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.017 -4.269 -6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.746 -5.711 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.344 -3.692 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.413 -4.676 -3.461 1.00 0.00 H new ATOM 952 N HIS A 63 -10.246 -1.244 -6.158 1.00 0.00 N ATOM 953 CA HIS A 63 -10.286 -0.205 -7.181 1.00 0.00 C ATOM 954 C HIS A 63 -10.225 1.183 -6.549 1.00 0.00 C ATOM 955 O HIS A 63 -9.735 2.132 -7.159 1.00 0.00 O ATOM 956 CB HIS A 63 -11.553 -0.338 -8.025 1.00 0.00 C ATOM 957 CG HIS A 63 -12.812 -0.368 -7.214 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.611 0.740 -7.024 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.411 -1.380 -6.544 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.645 0.411 -6.271 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.547 -0.871 -5.966 1.00 0.00 N ATOM 0 H HIS A 63 -11.159 -1.503 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.415 -0.331 -7.825 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.602 0.495 -8.726 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.491 -1.250 -8.618 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.060 -2.399 -6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.436 1.076 -5.958 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.208 -1.397 -5.394 1.00 0.00 H new ATOM 970 N GLU A 64 -10.727 1.292 -5.322 1.00 0.00 N ATOM 971 CA GLU A 64 -10.731 2.564 -4.610 1.00 0.00 C ATOM 972 C GLU A 64 -9.307 3.028 -4.318 1.00 0.00 C ATOM 973 O GLU A 64 -8.343 2.314 -4.588 1.00 0.00 O ATOM 974 CB GLU A 64 -11.516 2.438 -3.302 1.00 0.00 C ATOM 975 CG GLU A 64 -13.002 2.197 -3.505 1.00 0.00 C ATOM 976 CD GLU A 64 -13.742 3.446 -3.941 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.796 4.410 -3.149 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.268 3.460 -5.074 1.00 0.00 O ATOM 0 H GLU A 64 -11.135 0.516 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.214 3.306 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.100 1.618 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.381 3.348 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.141 1.417 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.436 1.828 -2.576 1.00 0.00 H new ATOM 985 N ASN A 65 -9.185 4.231 -3.766 1.00 0.00 N ATOM 986 CA ASN A 65 -7.879 4.793 -3.439 1.00 0.00 C ATOM 987 C ASN A 65 -7.806 5.176 -1.964 1.00 0.00 C ATOM 988 O ASN A 65 -8.775 5.652 -1.372 1.00 0.00 O ATOM 989 CB ASN A 65 -7.595 6.018 -4.310 1.00 0.00 C ATOM 990 CG ASN A 65 -7.072 5.642 -5.683 1.00 0.00 C ATOM 991 OD1 ASN A 65 -5.882 5.375 -5.854 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.961 5.619 -6.669 1.00 0.00 N ATOM 0 H ASN A 65 -9.974 4.835 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.124 4.032 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.509 6.602 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.867 6.656 -3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.668 5.373 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.937 5.848 -6.481 1.00 0.00 H new ATOM 999 N PRO A 66 -6.630 4.964 -1.355 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.401 5.281 0.058 1.00 0.00 C ATOM 1001 C PRO A 66 -6.377 6.784 0.318 1.00 0.00 C ATOM 1002 O PRO A 66 -7.068 7.280 1.208 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.028 4.667 0.341 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.348 4.631 -0.984 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.432 4.399 -1.999 1.00 0.00 C ATOM 0 HA PRO A 66 -7.195 4.895 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.467 5.266 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.121 3.667 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.824 5.567 -1.179 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.604 3.836 -1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.211 4.896 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.556 3.339 -2.219 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.577 7.502 -0.463 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.465 8.948 -0.318 1.00 0.00 C ATOM 1015 C ILE A 67 -6.838 9.611 -0.340 1.00 0.00 C ATOM 1016 O ILE A 67 -7.182 10.379 0.559 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.593 9.560 -1.430 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.158 9.039 -1.329 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.618 11.079 -1.348 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.294 9.415 -2.512 1.00 0.00 C ATOM 0 H ILE A 67 -4.997 7.106 -1.203 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.991 9.132 0.646 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.000 9.261 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.702 9.428 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.180 7.953 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.997 11.496 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.642 11.433 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.233 11.397 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.291 9.012 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.726 9.003 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.241 10.501 -2.594 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.619 9.308 -1.371 1.00 0.00 N ATOM 1033 CA ILE A 68 -8.955 9.872 -1.509 1.00 0.00 C ATOM 1034 C ILE A 68 -9.850 9.456 -0.346 1.00 0.00 C ATOM 1035 O ILE A 68 -10.468 10.297 0.307 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.616 9.438 -2.831 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.954 10.147 -4.014 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.109 9.732 -2.798 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -7.738 9.424 -4.548 1.00 0.00 C ATOM 0 H ILE A 68 -7.349 8.674 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.841 10.956 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.480 8.363 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.684 10.256 -4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.664 11.152 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.562 9.420 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.569 9.186 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.266 10.801 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.320 9.984 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.990 9.339 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.026 8.428 -4.885 1.00 0.00 H new ATOM 1051 N SER A 69 -9.913 8.153 -0.091 1.00 0.00 N ATOM 1052 CA SER A 69 -10.733 7.625 0.992 1.00 0.00 C ATOM 1053 C SER A 69 -10.626 8.505 2.234 1.00 0.00 C ATOM 1054 O SER A 69 -11.633 8.848 2.855 1.00 0.00 O ATOM 1055 CB SER A 69 -10.310 6.194 1.330 1.00 0.00 C ATOM 1056 OG SER A 69 -10.610 5.309 0.265 1.00 0.00 O ATOM 0 H SER A 69 -9.406 7.444 -0.620 1.00 0.00 H new ATOM 0 HA SER A 69 -11.771 7.621 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.241 6.167 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.820 5.865 2.235 1.00 0.00 H new ATOM 0 HG SER A 69 -9.843 5.257 -0.343 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.399 8.868 2.590 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.158 9.708 3.757 1.00 0.00 C ATOM 1064 C LEU A 70 -9.647 11.132 3.513 1.00 0.00 C ATOM 1065 O LEU A 70 -10.319 11.722 4.359 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.667 9.721 4.102 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.195 8.644 5.080 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.725 7.280 4.666 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.676 8.627 5.161 1.00 0.00 C ATOM 0 H LEU A 70 -8.555 8.594 2.087 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.715 9.290 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.100 9.617 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.420 10.697 4.520 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.588 8.879 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.380 6.526 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.815 7.300 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.361 7.036 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.358 7.855 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.261 8.416 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.319 9.598 5.505 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.306 11.679 2.350 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.713 13.033 1.994 1.00 0.00 C ATOM 1083 C ASN A 71 -11.182 13.267 2.331 1.00 0.00 C ATOM 1084 O ASN A 71 -11.569 14.358 2.751 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.473 13.284 0.504 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.090 13.840 0.226 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.820 15.016 0.470 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.205 12.993 -0.288 1.00 0.00 N ATOM 0 H ASN A 71 -8.749 11.205 1.639 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.111 13.731 2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.603 12.351 -0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.223 13.981 0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.258 13.309 -0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.473 12.026 -0.474 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.998 12.234 2.145 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.425 12.325 2.430 1.00 0.00 C ATOM 1097 C LYS A 72 -13.668 12.570 3.916 1.00 0.00 C ATOM 1098 O LYS A 72 -14.430 13.461 4.290 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.136 11.043 1.991 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.484 11.016 0.512 1.00 0.00 C ATOM 1101 CD LYS A 72 -13.310 11.460 -0.345 1.00 0.00 C ATOM 1102 CE LYS A 72 -13.742 11.749 -1.774 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.474 13.041 -1.882 1.00 0.00 N ATOM 0 H LYS A 72 -11.695 11.324 1.798 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.829 13.168 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.501 10.188 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.050 10.927 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.784 10.008 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.338 11.667 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.859 12.353 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.544 10.684 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.865 11.774 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.379 10.940 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.603 13.284 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.404 12.952 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.927 13.790 -1.411 1.00 0.00 H new ATOM 1117 N TRP A 73 -13.015 11.776 4.756 1.00 0.00 N ATOM 1118 CA TRP A 73 -13.159 11.908 6.201 1.00 0.00 C ATOM 1119 C TRP A 73 -12.917 13.347 6.643 1.00 0.00 C ATOM 1120 O TRP A 73 -13.539 13.830 7.588 1.00 0.00 O ATOM 1121 CB TRP A 73 -12.188 10.970 6.920 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.607 9.532 6.872 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.860 8.475 6.435 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.871 8.993 7.274 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.584 7.312 6.541 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.820 7.603 7.054 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -15.040 9.550 7.800 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.894 6.764 7.341 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -16.105 8.716 8.085 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -16.026 7.336 7.856 1.00 0.00 C ATOM 0 H TRP A 73 -12.380 11.034 4.462 1.00 0.00 H new ATOM 0 HA TRP A 73 -14.180 11.633 6.465 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.200 11.068 6.471 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.098 11.280 7.961 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.849 8.543 6.061 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.254 6.383 6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.110 10.613 7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.836 5.700 7.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -17.014 9.135 8.491 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.875 6.711 8.090 1.00 0.00 H new ATOM 1141 N GLY A 74 -12.008 14.029 5.952 1.00 0.00 N ATOM 1142 CA GLY A 74 -11.699 15.406 6.289 1.00 0.00 C ATOM 1143 C GLY A 74 -10.844 15.521 7.535 1.00 0.00 C ATOM 1144 O GLY A 74 -9.656 15.834 7.453 1.00 0.00 O ATOM 0 H GLY A 74 -11.480 13.652 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.181 15.874 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.627 15.957 6.437 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.448 15.269 8.691 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.734 15.349 9.960 1.00 0.00 C ATOM 1150 C GLN A 75 -10.388 13.956 10.478 1.00 0.00 C ATOM 1151 O GLN A 75 -9.269 13.711 10.928 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.573 16.098 10.996 1.00 0.00 C ATOM 1153 CG GLN A 75 -10.991 16.049 12.400 1.00 0.00 C ATOM 1154 CD GLN A 75 -9.978 17.149 12.650 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -8.791 16.991 12.365 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -10.443 18.271 13.187 1.00 0.00 N ATOM 0 H GLN A 75 -12.430 15.008 8.776 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.806 15.896 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.671 17.139 10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.577 15.675 11.013 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.799 16.132 13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.517 15.081 12.559 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.435 18.358 13.407 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.808 19.046 13.379 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.355 13.049 10.411 1.00 0.00 N ATOM 1166 CA TYR A 76 -11.154 11.682 10.876 1.00 0.00 C ATOM 1167 C TYR A 76 -10.131 10.956 10.008 1.00 0.00 C ATOM 1168 O TYR A 76 -9.596 9.918 10.396 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.480 10.918 10.868 1.00 0.00 C ATOM 1170 CG TYR A 76 -13.588 11.620 11.619 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -13.471 11.888 12.977 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.752 12.014 10.971 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -14.482 12.529 13.668 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -15.767 12.656 11.654 1.00 0.00 C ATOM 1175 CZ TYR A 76 -15.627 12.911 13.002 1.00 0.00 C ATOM 1176 OH TYR A 76 -16.636 13.550 13.686 1.00 0.00 O ATOM 0 H TYR A 76 -12.286 13.235 10.039 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.773 11.725 11.896 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.794 10.763 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.324 9.932 11.306 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.575 11.591 13.502 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.865 11.815 9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.376 12.729 14.724 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -16.665 12.957 11.135 1.00 0.00 H new ATOM 0 HH TYR A 76 -17.371 13.752 13.071 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.863 11.512 8.831 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.902 10.921 7.908 1.00 0.00 C ATOM 1188 C ALA A 77 -7.649 10.456 8.643 1.00 0.00 C ATOM 1189 O ALA A 77 -7.344 9.264 8.679 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.537 11.916 6.817 1.00 0.00 C ATOM 0 H ALA A 77 -10.298 12.371 8.494 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.367 10.049 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.819 11.461 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.434 12.196 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.096 12.805 7.268 1.00 0.00 H new ATOM 1196 N SER A 78 -6.925 11.406 9.228 1.00 0.00 N ATOM 1197 CA SER A 78 -5.703 11.094 9.959 1.00 0.00 C ATOM 1198 C SER A 78 -5.966 10.048 11.038 1.00 0.00 C ATOM 1199 O SER A 78 -5.103 9.225 11.344 1.00 0.00 O ATOM 1200 CB SER A 78 -5.125 12.361 10.592 1.00 0.00 C ATOM 1201 OG SER A 78 -4.271 13.040 9.687 1.00 0.00 O ATOM 0 H SER A 78 -7.164 12.397 9.210 1.00 0.00 H new ATOM 0 HA SER A 78 -4.981 10.687 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.937 13.022 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.571 12.100 11.494 1.00 0.00 H new ATOM 0 HG SER A 78 -3.916 13.847 10.115 1.00 0.00 H new ATOM 1207 N ASP A 79 -7.164 10.086 11.610 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.544 9.141 12.654 1.00 0.00 C ATOM 1209 C ASP A 79 -7.768 7.749 12.072 1.00 0.00 C ATOM 1210 O ASP A 79 -7.666 6.746 12.778 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.809 9.619 13.368 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.581 10.890 14.162 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.847 10.836 15.171 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.136 11.939 13.774 1.00 0.00 O ATOM 0 H ASP A 79 -7.889 10.761 11.368 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.728 9.086 13.375 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.595 9.790 12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.163 8.835 14.037 1.00 0.00 H new ATOM 1219 N VAL A 80 -8.075 7.696 10.780 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.313 6.427 10.102 1.00 0.00 C ATOM 1221 C VAL A 80 -7.002 5.707 9.807 1.00 0.00 C ATOM 1222 O VAL A 80 -6.271 6.081 8.891 1.00 0.00 O ATOM 1223 CB VAL A 80 -9.083 6.631 8.783 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -9.102 5.344 7.972 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.497 7.117 9.062 1.00 0.00 C ATOM 0 H VAL A 80 -8.165 8.517 10.182 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.915 5.817 10.775 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.571 7.394 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.650 5.507 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.080 5.044 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.590 4.558 8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.027 7.256 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.022 6.379 9.668 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.457 8.065 9.599 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.713 4.671 10.589 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.490 3.899 10.411 1.00 0.00 C ATOM 1237 C GLN A 81 -5.748 2.659 9.560 1.00 0.00 C ATOM 1238 O GLN A 81 -6.725 1.941 9.771 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.918 3.489 11.769 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.377 4.656 12.579 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.028 5.136 12.081 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -2.867 5.460 10.904 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.049 5.185 12.978 1.00 0.00 N ATOM 0 H GLN A 81 -7.309 4.348 11.351 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.765 4.528 9.894 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.696 2.987 12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.119 2.764 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.089 5.481 12.541 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.290 4.359 13.624 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.227 4.907 13.943 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.119 5.501 12.702 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.865 2.415 8.597 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.997 1.263 7.713 1.00 0.00 C ATOM 1254 C LEU A 82 -4.320 0.035 8.313 1.00 0.00 C ATOM 1255 O LEU A 82 -3.374 0.155 9.093 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.393 1.574 6.343 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.320 2.261 5.340 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -6.544 1.400 5.067 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.735 3.633 5.851 1.00 0.00 C ATOM 0 H LEU A 82 -4.051 3.000 8.409 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.059 1.048 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.517 2.206 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.042 0.641 5.903 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.777 2.392 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.192 1.905 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.230 0.440 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.089 1.237 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.395 4.108 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.259 3.524 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.849 4.251 5.995 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.807 -1.144 7.943 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.246 -2.393 8.443 1.00 0.00 C ATOM 1273 C ILE A 83 -4.162 -3.439 7.337 1.00 0.00 C ATOM 1274 O ILE A 83 -5.169 -3.788 6.719 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.081 -2.959 9.607 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.026 -2.014 10.809 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.582 -4.344 9.992 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.062 -2.323 11.868 1.00 0.00 C ATOM 0 H ILE A 83 -5.589 -1.261 7.299 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.242 -2.167 8.803 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.118 -3.045 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.034 -2.066 11.257 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.166 -0.990 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.182 -4.731 10.816 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.668 -5.013 9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.539 -4.282 10.301 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.965 -1.614 12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.059 -2.243 11.436 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.909 -3.335 12.242 1.00 0.00 H new ATOM 1290 N LEU A 84 -2.956 -3.939 7.093 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.739 -4.948 6.062 1.00 0.00 C ATOM 1292 C LEU A 84 -3.059 -6.343 6.590 1.00 0.00 C ATOM 1293 O LEU A 84 -2.208 -7.002 7.186 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.293 -4.897 5.567 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.063 -5.336 4.120 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.631 -4.307 3.154 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.420 -5.554 3.858 1.00 0.00 C ATOM 0 H LEU A 84 -2.113 -3.662 7.595 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.409 -4.732 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.928 -3.876 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.685 -5.526 6.217 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.582 -6.281 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.458 -4.636 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.702 -4.200 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.140 -3.347 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.565 -5.866 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.961 -4.625 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.798 -6.328 4.526 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.292 -6.787 6.365 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.724 -8.104 6.816 1.00 0.00 C ATOM 1311 C ARG A 85 -4.514 -9.149 5.725 1.00 0.00 C ATOM 1312 O ARG A 85 -4.973 -8.982 4.595 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.197 -8.068 7.226 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.699 -9.378 7.810 1.00 0.00 C ATOM 1315 CD ARG A 85 -8.011 -9.189 8.555 1.00 0.00 C ATOM 1316 NE ARG A 85 -8.160 -10.143 9.652 1.00 0.00 N ATOM 1317 CZ ARG A 85 -9.211 -10.171 10.464 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -10.200 -9.303 10.303 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.274 -11.069 11.439 1.00 0.00 N ATOM 0 H ARG A 85 -5.009 -6.254 5.873 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.120 -8.380 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.342 -7.274 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.801 -7.813 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.835 -10.106 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.950 -9.786 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.062 -8.174 8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.843 -9.303 7.860 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.416 -10.825 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.155 -8.612 9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.006 -9.327 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.515 -11.739 11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.081 -11.090 12.062 1.00 0.00 H new ATOM 1333 N ARG A 86 -3.816 -10.226 6.071 1.00 0.00 N ATOM 1334 CA ARG A 86 -3.543 -11.298 5.120 1.00 0.00 C ATOM 1335 C ARG A 86 -4.813 -12.084 4.809 1.00 0.00 C ATOM 1336 O ARG A 86 -5.659 -12.290 5.680 1.00 0.00 O ATOM 1337 CB ARG A 86 -2.470 -12.238 5.673 1.00 0.00 C ATOM 1338 CG ARG A 86 -2.997 -13.227 6.699 1.00 0.00 C ATOM 1339 CD ARG A 86 -1.975 -14.311 7.004 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.170 -14.888 8.331 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.321 -15.742 8.893 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -0.225 -16.114 8.247 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -1.568 -16.224 10.105 1.00 0.00 N ATOM 0 H ARG A 86 -3.429 -10.380 7.002 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.180 -10.848 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.021 -12.789 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.677 -11.644 6.128 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.253 -12.698 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.914 -13.684 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.045 -15.098 6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.971 -13.893 6.934 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.003 -14.621 8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.032 -15.745 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.425 -16.770 8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.410 -15.939 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.916 -16.879 10.536 1.00 0.00 H new ATOM 1357 N THR A 87 -4.940 -12.523 3.560 1.00 0.00 N ATOM 1358 CA THR A 87 -6.107 -13.285 3.133 1.00 0.00 C ATOM 1359 C THR A 87 -5.737 -14.297 2.054 1.00 0.00 C ATOM 1360 O THR A 87 -5.089 -13.956 1.066 1.00 0.00 O ATOM 1361 CB THR A 87 -7.216 -12.362 2.596 1.00 0.00 C ATOM 1362 OG1 THR A 87 -8.367 -13.135 2.239 1.00 0.00 O ATOM 1363 CG2 THR A 87 -6.730 -11.578 1.387 1.00 0.00 C ATOM 0 H THR A 87 -4.249 -12.364 2.827 1.00 0.00 H new ATOM 0 HA THR A 87 -6.478 -13.813 4.011 1.00 0.00 H new ATOM 0 HB THR A 87 -7.483 -11.656 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.068 -12.540 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.531 -10.933 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.872 -10.968 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.438 -12.271 0.598 1.00 0.00 H new ATOM 1371 N GLY A 88 -6.155 -15.544 2.251 1.00 0.00 N ATOM 1372 CA GLY A 88 -5.858 -16.586 1.286 1.00 0.00 C ATOM 1373 C GLY A 88 -4.624 -17.385 1.655 1.00 0.00 C ATOM 1374 O GLY A 88 -3.933 -17.086 2.629 1.00 0.00 O ATOM 0 H GLY A 88 -6.694 -15.851 3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.712 -17.258 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.715 -16.137 0.303 1.00 0.00 H new ATOM 1378 N PRO A 89 -4.333 -18.430 0.867 1.00 0.00 N ATOM 1379 CA PRO A 89 -3.174 -19.297 1.097 1.00 0.00 C ATOM 1380 C PRO A 89 -1.854 -18.588 0.812 1.00 0.00 C ATOM 1381 O PRO A 89 -1.815 -17.603 0.075 1.00 0.00 O ATOM 1382 CB PRO A 89 -3.388 -20.447 0.109 1.00 0.00 C ATOM 1383 CG PRO A 89 -4.226 -19.863 -0.975 1.00 0.00 C ATOM 1384 CD PRO A 89 -5.113 -18.846 -0.311 1.00 0.00 C ATOM 0 HA PRO A 89 -3.106 -19.618 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.439 -20.817 -0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.888 -21.290 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.605 -19.398 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -4.818 -20.634 -1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.324 -18.005 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -6.073 -19.276 -0.026 1.00 0.00 H new ATOM 1392 N SER A 90 -0.775 -19.097 1.399 1.00 0.00 N ATOM 1393 CA SER A 90 0.546 -18.510 1.210 1.00 0.00 C ATOM 1394 C SER A 90 1.514 -19.530 0.617 1.00 0.00 C ATOM 1395 O SER A 90 1.505 -20.701 0.991 1.00 0.00 O ATOM 1396 CB SER A 90 1.091 -17.988 2.541 1.00 0.00 C ATOM 1397 OG SER A 90 2.232 -17.172 2.340 1.00 0.00 O ATOM 0 H SER A 90 -0.790 -19.914 2.009 1.00 0.00 H new ATOM 0 HA SER A 90 0.450 -17.677 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.318 -17.417 3.055 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.350 -18.828 3.186 1.00 0.00 H new ATOM 0 HG SER A 90 2.130 -16.667 1.506 1.00 0.00 H new ATOM 1403 N GLY A 91 2.348 -19.073 -0.312 1.00 0.00 N ATOM 1404 CA GLY A 91 3.311 -19.957 -0.943 1.00 0.00 C ATOM 1405 C GLY A 91 4.736 -19.460 -0.801 1.00 0.00 C ATOM 1406 O GLY A 91 4.983 -18.272 -0.591 1.00 0.00 O ATOM 0 H GLY A 91 2.374 -18.107 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.231 -20.951 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.068 -20.057 -2.001 1.00 0.00 H new ATOM 1410 N PRO A 92 5.703 -20.382 -0.914 1.00 0.00 N ATOM 1411 CA PRO A 92 7.127 -20.054 -0.799 1.00 0.00 C ATOM 1412 C PRO A 92 7.631 -19.238 -1.984 1.00 0.00 C ATOM 1413 O PRO A 92 7.703 -19.735 -3.107 1.00 0.00 O ATOM 1414 CB PRO A 92 7.805 -21.426 -0.767 1.00 0.00 C ATOM 1415 CG PRO A 92 6.858 -22.333 -1.474 1.00 0.00 C ATOM 1416 CD PRO A 92 5.481 -21.816 -1.164 1.00 0.00 C ATOM 0 HA PRO A 92 7.335 -19.440 0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.774 -21.400 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.981 -21.757 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.043 -22.330 -2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.975 -23.362 -1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.795 -21.977 -1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.051 -22.314 -0.295 1.00 0.00 H new ATOM 1424 N SER A 93 7.980 -17.981 -1.725 1.00 0.00 N ATOM 1425 CA SER A 93 8.475 -17.095 -2.771 1.00 0.00 C ATOM 1426 C SER A 93 9.687 -17.703 -3.471 1.00 0.00 C ATOM 1427 O SER A 93 10.756 -17.843 -2.876 1.00 0.00 O ATOM 1428 CB SER A 93 8.844 -15.732 -2.182 1.00 0.00 C ATOM 1429 OG SER A 93 9.857 -15.858 -1.200 1.00 0.00 O ATOM 0 H SER A 93 7.929 -17.554 -0.800 1.00 0.00 H new ATOM 0 HA SER A 93 7.681 -16.963 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.185 -15.069 -2.977 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.960 -15.272 -1.740 1.00 0.00 H new ATOM 0 HG SER A 93 10.468 -16.581 -1.452 1.00 0.00 H new ATOM 1435 N SER A 94 9.511 -18.063 -4.738 1.00 0.00 N ATOM 1436 CA SER A 94 10.588 -18.661 -5.519 1.00 0.00 C ATOM 1437 C SER A 94 11.630 -17.613 -5.898 1.00 0.00 C ATOM 1438 O SER A 94 11.346 -16.681 -6.649 1.00 0.00 O ATOM 1439 CB SER A 94 10.027 -19.318 -6.782 1.00 0.00 C ATOM 1440 OG SER A 94 9.401 -20.553 -6.479 1.00 0.00 O ATOM 0 H SER A 94 8.633 -17.951 -5.246 1.00 0.00 H new ATOM 0 HA SER A 94 11.069 -19.422 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.308 -18.649 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.832 -19.481 -7.499 1.00 0.00 H new ATOM 0 HG SER A 94 9.049 -20.952 -7.302 1.00 0.00 H new ATOM 1446 N GLY A 95 12.841 -17.774 -5.371 1.00 0.00 N ATOM 1447 CA GLY A 95 13.908 -16.835 -5.665 1.00 0.00 C ATOM 1448 C GLY A 95 14.255 -16.794 -7.140 1.00 0.00 C ATOM 1449 O GLY A 95 14.875 -15.842 -7.612 1.00 0.00 O ATOM 0 H GLY A 95 13.101 -18.537 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.611 -15.839 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.795 -17.108 -5.094 1.00 0.00 H new TER 1453 GLY A 95