USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 434 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 24 HIS : no HD1:sc= -1.74 K(o=-2.6,f=-3.4) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.871 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= 0.0781 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 158:sc= -0.0681 (180deg=-0.792) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0112) USER MOD Single : A 33 THR OG1 : rot -75:sc= 0.741 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 46 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -17.6! C(o=-18!,f=-20!) USER MOD Single : A 49 CYS SG : rot -15:sc= 0.374 USER MOD Single : A 50 ASN : amide:sc= -0.305 K(o=-0.3,f=-3.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -55:sc= 0.222 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.516 -9.877 -12.323 1.00 0.00 N ATOM 2 CA GLY A 1 -9.022 -10.544 -11.138 1.00 0.00 C ATOM 3 C GLY A 1 -8.348 -10.062 -9.869 1.00 0.00 C ATOM 4 O GLY A 1 -7.562 -10.788 -9.261 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.008 -10.241 -13.163 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.681 -8.853 -12.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.496 -10.057 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.096 -10.376 -11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.874 -11.619 -11.239 1.00 0.00 H new ATOM 8 N SER A 2 -8.655 -8.832 -9.468 1.00 0.00 N ATOM 9 CA SER A 2 -8.069 -8.252 -8.266 1.00 0.00 C ATOM 10 C SER A 2 -6.562 -8.075 -8.427 1.00 0.00 C ATOM 11 O SER A 2 -5.792 -8.355 -7.509 1.00 0.00 O ATOM 12 CB SER A 2 -8.363 -9.135 -7.052 1.00 0.00 C ATOM 13 OG SER A 2 -9.745 -9.436 -6.963 1.00 0.00 O ATOM 0 H SER A 2 -9.306 -8.219 -9.958 1.00 0.00 H new ATOM 0 HA SER A 2 -8.518 -7.271 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.790 -10.060 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.039 -8.629 -6.143 1.00 0.00 H new ATOM 0 HG SER A 2 -9.907 -10.003 -6.180 1.00 0.00 H new ATOM 19 N SER A 3 -6.150 -7.608 -9.601 1.00 0.00 N ATOM 20 CA SER A 3 -4.735 -7.397 -9.886 1.00 0.00 C ATOM 21 C SER A 3 -4.102 -6.481 -8.842 1.00 0.00 C ATOM 22 O SER A 3 -4.389 -5.285 -8.794 1.00 0.00 O ATOM 23 CB SER A 3 -4.558 -6.797 -11.282 1.00 0.00 C ATOM 24 OG SER A 3 -3.186 -6.688 -11.620 1.00 0.00 O ATOM 0 H SER A 3 -6.775 -7.368 -10.370 1.00 0.00 H new ATOM 0 HA SER A 3 -4.234 -8.364 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.068 -7.420 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.024 -5.813 -11.320 1.00 0.00 H new ATOM 0 HG SER A 3 -3.100 -6.303 -12.517 1.00 0.00 H new ATOM 30 N GLY A 4 -3.238 -7.052 -8.008 1.00 0.00 N ATOM 31 CA GLY A 4 -2.578 -6.274 -6.977 1.00 0.00 C ATOM 32 C GLY A 4 -3.407 -6.164 -5.713 1.00 0.00 C ATOM 33 O GLY A 4 -3.202 -6.917 -4.760 1.00 0.00 O ATOM 0 H GLY A 4 -2.984 -8.040 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.618 -6.732 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.369 -5.275 -7.358 1.00 0.00 H new ATOM 37 N SER A 5 -4.346 -5.223 -5.702 1.00 0.00 N ATOM 38 CA SER A 5 -5.206 -5.014 -4.543 1.00 0.00 C ATOM 39 C SER A 5 -6.543 -5.725 -4.723 1.00 0.00 C ATOM 40 O SER A 5 -6.906 -6.116 -5.833 1.00 0.00 O ATOM 41 CB SER A 5 -5.437 -3.519 -4.316 1.00 0.00 C ATOM 42 OG SER A 5 -6.182 -2.951 -5.380 1.00 0.00 O ATOM 0 H SER A 5 -4.530 -4.593 -6.483 1.00 0.00 H new ATOM 0 HA SER A 5 -4.706 -5.434 -3.670 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.967 -3.368 -3.376 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.478 -3.009 -4.226 1.00 0.00 H new ATOM 0 HG SER A 5 -6.318 -1.995 -5.211 1.00 0.00 H new ATOM 48 N SER A 6 -7.272 -5.889 -3.624 1.00 0.00 N ATOM 49 CA SER A 6 -8.568 -6.557 -3.658 1.00 0.00 C ATOM 50 C SER A 6 -9.704 -5.539 -3.617 1.00 0.00 C ATOM 51 O SER A 6 -10.613 -5.573 -4.446 1.00 0.00 O ATOM 52 CB SER A 6 -8.696 -7.529 -2.484 1.00 0.00 C ATOM 53 OG SER A 6 -8.487 -6.867 -1.249 1.00 0.00 O ATOM 0 H SER A 6 -6.987 -5.568 -2.699 1.00 0.00 H new ATOM 0 HA SER A 6 -8.637 -7.116 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.686 -7.986 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.971 -8.336 -2.595 1.00 0.00 H new ATOM 0 HG SER A 6 -8.731 -7.465 -0.512 1.00 0.00 H new ATOM 59 N GLY A 7 -9.645 -4.634 -2.645 1.00 0.00 N ATOM 60 CA GLY A 7 -10.674 -3.620 -2.512 1.00 0.00 C ATOM 61 C GLY A 7 -10.849 -2.802 -3.777 1.00 0.00 C ATOM 62 O GLY A 7 -9.869 -2.411 -4.411 1.00 0.00 O ATOM 0 H GLY A 7 -8.903 -4.585 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.620 -4.098 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.421 -2.956 -1.686 1.00 0.00 H new ATOM 66 N SER A 8 -12.100 -2.545 -4.145 1.00 0.00 N ATOM 67 CA SER A 8 -12.400 -1.774 -5.346 1.00 0.00 C ATOM 68 C SER A 8 -12.797 -0.345 -4.988 1.00 0.00 C ATOM 69 O SER A 8 -12.545 0.590 -5.748 1.00 0.00 O ATOM 70 CB SER A 8 -13.522 -2.444 -6.141 1.00 0.00 C ATOM 71 OG SER A 8 -13.156 -3.754 -6.535 1.00 0.00 O ATOM 0 H SER A 8 -12.922 -2.859 -3.629 1.00 0.00 H new ATOM 0 HA SER A 8 -11.500 -1.740 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.428 -2.483 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.753 -1.847 -7.023 1.00 0.00 H new ATOM 0 HG SER A 8 -13.891 -4.161 -7.040 1.00 0.00 H new ATOM 77 N SER A 9 -13.421 -0.184 -3.826 1.00 0.00 N ATOM 78 CA SER A 9 -13.857 1.130 -3.368 1.00 0.00 C ATOM 79 C SER A 9 -12.700 1.897 -2.735 1.00 0.00 C ATOM 80 O SER A 9 -11.802 1.320 -2.121 1.00 0.00 O ATOM 81 CB SER A 9 -15.001 0.988 -2.361 1.00 0.00 C ATOM 82 OG SER A 9 -14.551 0.390 -1.158 1.00 0.00 O ATOM 0 H SER A 9 -13.636 -0.947 -3.184 1.00 0.00 H new ATOM 0 HA SER A 9 -14.211 1.690 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.425 1.969 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.798 0.384 -2.795 1.00 0.00 H new ATOM 0 HG SER A 9 -15.300 0.312 -0.531 1.00 0.00 H new ATOM 88 N PRO A 10 -12.721 3.229 -2.887 1.00 0.00 N ATOM 89 CA PRO A 10 -11.681 4.105 -2.338 1.00 0.00 C ATOM 90 C PRO A 10 -11.732 4.180 -0.816 1.00 0.00 C ATOM 91 O PRO A 10 -10.962 4.913 -0.195 1.00 0.00 O ATOM 92 CB PRO A 10 -12.006 5.469 -2.951 1.00 0.00 C ATOM 93 CG PRO A 10 -13.465 5.413 -3.248 1.00 0.00 C ATOM 94 CD PRO A 10 -13.761 3.983 -3.607 1.00 0.00 C ATOM 0 HA PRO A 10 -10.679 3.745 -2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.774 6.279 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.424 5.645 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.051 5.728 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.722 6.082 -4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.762 3.688 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.704 3.819 -4.683 1.00 0.00 H new ATOM 102 N SER A 11 -12.642 3.417 -0.220 1.00 0.00 N ATOM 103 CA SER A 11 -12.795 3.399 1.230 1.00 0.00 C ATOM 104 C SER A 11 -11.434 3.356 1.919 1.00 0.00 C ATOM 105 O SER A 11 -11.157 4.147 2.822 1.00 0.00 O ATOM 106 CB SER A 11 -13.636 2.196 1.662 1.00 0.00 C ATOM 107 OG SER A 11 -14.182 2.393 2.954 1.00 0.00 O ATOM 0 H SER A 11 -13.285 2.803 -0.719 1.00 0.00 H new ATOM 0 HA SER A 11 -13.306 4.315 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.441 2.034 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.020 1.297 1.658 1.00 0.00 H new ATOM 0 HG SER A 11 -14.716 1.611 3.206 1.00 0.00 H new ATOM 113 N LEU A 12 -10.588 2.428 1.487 1.00 0.00 N ATOM 114 CA LEU A 12 -9.255 2.280 2.061 1.00 0.00 C ATOM 115 C LEU A 12 -8.332 3.398 1.588 1.00 0.00 C ATOM 116 O LEU A 12 -7.333 3.709 2.237 1.00 0.00 O ATOM 117 CB LEU A 12 -8.664 0.920 1.684 1.00 0.00 C ATOM 118 CG LEU A 12 -8.947 -0.227 2.654 1.00 0.00 C ATOM 119 CD1 LEU A 12 -10.444 -0.463 2.780 1.00 0.00 C ATOM 120 CD2 LEU A 12 -8.241 -1.496 2.199 1.00 0.00 C ATOM 0 H LEU A 12 -10.801 1.766 0.741 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.344 2.342 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.045 0.641 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.584 1.030 1.588 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.560 0.048 3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.626 -1.283 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.925 0.441 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.856 -0.717 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.453 -2.302 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.597 -1.775 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.166 -1.321 2.162 1.00 0.00 H new ATOM 132 N LEU A 13 -8.673 4.000 0.454 1.00 0.00 N ATOM 133 CA LEU A 13 -7.876 5.086 -0.106 1.00 0.00 C ATOM 134 C LEU A 13 -8.189 6.406 0.590 1.00 0.00 C ATOM 135 O LEU A 13 -7.357 7.312 0.627 1.00 0.00 O ATOM 136 CB LEU A 13 -8.135 5.214 -1.608 1.00 0.00 C ATOM 137 CG LEU A 13 -7.533 4.119 -2.489 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.014 4.158 -2.426 1.00 0.00 C ATOM 139 CD2 LEU A 13 -8.051 2.751 -2.069 1.00 0.00 C ATOM 0 H LEU A 13 -9.496 3.754 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.824 4.852 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.213 5.231 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.747 6.176 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.838 4.300 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.603 3.372 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.660 5.128 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.688 4.003 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.612 1.984 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.776 2.561 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.136 2.727 -2.167 1.00 0.00 H new ATOM 151 N GLU A 14 -9.394 6.506 1.143 1.00 0.00 N ATOM 152 CA GLU A 14 -9.816 7.716 1.839 1.00 0.00 C ATOM 153 C GLU A 14 -8.702 8.242 2.740 1.00 0.00 C ATOM 154 O GLU A 14 -8.242 9.375 2.605 1.00 0.00 O ATOM 155 CB GLU A 14 -11.072 7.442 2.669 1.00 0.00 C ATOM 156 CG GLU A 14 -12.366 7.759 1.938 1.00 0.00 C ATOM 157 CD GLU A 14 -13.591 7.561 2.808 1.00 0.00 C ATOM 158 OE1 GLU A 14 -13.824 8.398 3.705 1.00 0.00 O ATOM 159 OE2 GLU A 14 -14.318 6.569 2.592 1.00 0.00 O ATOM 0 H GLU A 14 -10.094 5.765 1.123 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.043 8.475 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.080 6.393 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.028 8.032 3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.337 8.791 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.445 7.124 1.056 1.00 0.00 H new ATOM 166 N PRO A 15 -8.258 7.398 3.684 1.00 0.00 N ATOM 167 CA PRO A 15 -7.194 7.755 4.627 1.00 0.00 C ATOM 168 C PRO A 15 -5.833 7.868 3.949 1.00 0.00 C ATOM 169 O PRO A 15 -5.027 8.735 4.290 1.00 0.00 O ATOM 170 CB PRO A 15 -7.200 6.594 5.624 1.00 0.00 C ATOM 171 CG PRO A 15 -7.764 5.444 4.864 1.00 0.00 C ATOM 172 CD PRO A 15 -8.761 6.032 3.903 1.00 0.00 C ATOM 0 HA PRO A 15 -7.365 8.729 5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.194 6.376 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.808 6.827 6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.980 4.906 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.242 4.730 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.805 5.466 2.973 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.768 6.037 4.321 1.00 0.00 H new ATOM 180 N LEU A 16 -5.582 6.987 2.986 1.00 0.00 N ATOM 181 CA LEU A 16 -4.317 6.988 2.259 1.00 0.00 C ATOM 182 C LEU A 16 -4.265 8.140 1.260 1.00 0.00 C ATOM 183 O LEU A 16 -3.201 8.471 0.734 1.00 0.00 O ATOM 184 CB LEU A 16 -4.124 5.657 1.530 1.00 0.00 C ATOM 185 CG LEU A 16 -4.047 4.413 2.415 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.887 3.162 1.565 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.900 4.535 3.408 1.00 0.00 C ATOM 0 H LEU A 16 -6.237 6.263 2.691 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.511 7.120 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.947 5.528 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.208 5.717 0.942 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.979 4.331 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.834 2.287 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.741 3.066 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.971 3.235 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.860 3.641 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.960 4.643 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.057 5.409 4.040 1.00 0.00 H new ATOM 199 N LEU A 17 -5.418 8.748 1.006 1.00 0.00 N ATOM 200 CA LEU A 17 -5.503 9.866 0.072 1.00 0.00 C ATOM 201 C LEU A 17 -5.457 11.199 0.811 1.00 0.00 C ATOM 202 O LEU A 17 -4.716 12.105 0.432 1.00 0.00 O ATOM 203 CB LEU A 17 -6.789 9.770 -0.752 1.00 0.00 C ATOM 204 CG LEU A 17 -6.820 8.681 -1.824 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.216 8.552 -2.414 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.803 8.979 -2.917 1.00 0.00 C ATOM 0 H LEU A 17 -6.307 8.486 1.433 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.644 9.814 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.622 9.604 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.960 10.732 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.555 7.732 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.219 7.772 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.922 8.292 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.509 9.500 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.839 8.193 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.037 9.938 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.804 9.020 -2.483 1.00 0.00 H new ATOM 218 N ALA A 18 -6.253 11.310 1.870 1.00 0.00 N ATOM 219 CA ALA A 18 -6.300 12.530 2.666 1.00 0.00 C ATOM 220 C ALA A 18 -4.955 12.804 3.330 1.00 0.00 C ATOM 221 O ALA A 18 -4.637 13.946 3.660 1.00 0.00 O ATOM 222 CB ALA A 18 -7.398 12.434 3.714 1.00 0.00 C ATOM 0 H ALA A 18 -6.874 10.569 2.196 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.522 13.362 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.422 13.352 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.360 12.293 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.200 11.588 4.372 1.00 0.00 H new ATOM 228 N MET A 19 -4.169 11.750 3.523 1.00 0.00 N ATOM 229 CA MET A 19 -2.858 11.878 4.148 1.00 0.00 C ATOM 230 C MET A 19 -1.873 12.566 3.208 1.00 0.00 C ATOM 231 O MET A 19 -0.911 13.191 3.651 1.00 0.00 O ATOM 232 CB MET A 19 -2.323 10.502 4.548 1.00 0.00 C ATOM 233 CG MET A 19 -3.069 9.876 5.716 1.00 0.00 C ATOM 234 SD MET A 19 -2.347 10.306 7.311 1.00 0.00 S ATOM 235 CE MET A 19 -2.097 8.680 8.019 1.00 0.00 C ATOM 0 H MET A 19 -4.417 10.798 3.255 1.00 0.00 H new ATOM 0 HA MET A 19 -2.968 12.491 5.043 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.383 9.834 3.689 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.268 10.593 4.808 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.109 10.200 5.693 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.070 8.792 5.602 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.331 8.734 8.793 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.031 8.326 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.776 7.989 7.239 1.00 0.00 H new ATOM 245 N GLY A 20 -2.121 12.446 1.907 1.00 0.00 N ATOM 246 CA GLY A 20 -1.246 13.061 0.925 1.00 0.00 C ATOM 247 C GLY A 20 -0.834 12.096 -0.168 1.00 0.00 C ATOM 248 O GLY A 20 -0.655 12.492 -1.320 1.00 0.00 O ATOM 0 H GLY A 20 -2.912 11.934 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.751 13.917 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.355 13.442 1.424 1.00 0.00 H new ATOM 252 N PHE A 21 -0.681 10.826 0.192 1.00 0.00 N ATOM 253 CA PHE A 21 -0.284 9.802 -0.768 1.00 0.00 C ATOM 254 C PHE A 21 -1.306 9.687 -1.895 1.00 0.00 C ATOM 255 O PHE A 21 -2.516 9.742 -1.678 1.00 0.00 O ATOM 256 CB PHE A 21 -0.126 8.450 -0.068 1.00 0.00 C ATOM 257 CG PHE A 21 0.525 8.547 1.283 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.905 8.592 1.400 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.243 8.595 2.435 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.506 8.680 2.641 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.353 8.683 3.679 1.00 0.00 C ATOM 262 CZ PHE A 21 1.729 8.727 3.782 1.00 0.00 C ATOM 0 H PHE A 21 -0.826 10.481 1.141 1.00 0.00 H new ATOM 0 HA PHE A 21 0.674 10.095 -1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.108 7.990 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.466 7.789 -0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.518 8.558 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.320 8.563 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.583 8.712 2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.257 8.717 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.197 8.798 4.753 1.00 0.00 H new ATOM 272 N PRO A 22 -0.808 9.525 -3.130 1.00 0.00 N ATOM 273 CA PRO A 22 -1.659 9.399 -4.317 1.00 0.00 C ATOM 274 C PRO A 22 -2.423 8.079 -4.345 1.00 0.00 C ATOM 275 O PRO A 22 -2.533 7.392 -3.329 1.00 0.00 O ATOM 276 CB PRO A 22 -0.663 9.466 -5.477 1.00 0.00 C ATOM 277 CG PRO A 22 0.626 8.997 -4.896 1.00 0.00 C ATOM 278 CD PRO A 22 0.625 9.451 -3.463 1.00 0.00 C ATOM 0 HA PRO A 22 -2.427 10.172 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.978 8.832 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.576 10.480 -5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.712 7.912 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.474 9.417 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.152 8.748 -2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.115 10.418 -3.347 1.00 0.00 H new ATOM 286 N VAL A 23 -2.949 7.730 -5.515 1.00 0.00 N ATOM 287 CA VAL A 23 -3.701 6.492 -5.676 1.00 0.00 C ATOM 288 C VAL A 23 -2.772 5.318 -5.964 1.00 0.00 C ATOM 289 O VAL A 23 -2.767 4.323 -5.239 1.00 0.00 O ATOM 290 CB VAL A 23 -4.734 6.606 -6.812 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.213 5.227 -7.239 1.00 0.00 C ATOM 292 CG2 VAL A 23 -5.905 7.476 -6.382 1.00 0.00 C ATOM 0 H VAL A 23 -2.868 8.288 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.224 6.315 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.255 7.079 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.942 5.328 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.365 4.640 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.676 4.724 -6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.625 7.546 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.386 7.034 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.544 8.473 -6.131 1.00 0.00 H new ATOM 302 N HIS A 24 -1.985 5.441 -7.028 1.00 0.00 N ATOM 303 CA HIS A 24 -1.049 4.390 -7.413 1.00 0.00 C ATOM 304 C HIS A 24 -0.184 3.972 -6.227 1.00 0.00 C ATOM 305 O HIS A 24 0.161 2.799 -6.080 1.00 0.00 O ATOM 306 CB HIS A 24 -0.162 4.865 -8.564 1.00 0.00 C ATOM 307 CG HIS A 24 0.110 6.338 -8.543 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.236 7.181 -9.577 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.697 7.116 -7.604 1.00 0.00 C ATOM 310 CE1 HIS A 24 0.128 8.415 -9.276 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.696 8.403 -8.084 1.00 0.00 N ATOM 0 H HIS A 24 -1.977 6.258 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.626 3.526 -7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.786 4.328 -8.526 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.638 4.605 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.092 6.786 -6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.015 9.286 -9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.073 9.217 -7.599 1.00 0.00 H new ATOM 320 N THR A 25 0.163 4.939 -5.384 1.00 0.00 N ATOM 321 CA THR A 25 0.988 4.672 -4.213 1.00 0.00 C ATOM 322 C THR A 25 0.180 3.994 -3.113 1.00 0.00 C ATOM 323 O THR A 25 0.553 2.929 -2.623 1.00 0.00 O ATOM 324 CB THR A 25 1.607 5.968 -3.655 1.00 0.00 C ATOM 325 OG1 THR A 25 2.454 6.570 -4.639 1.00 0.00 O ATOM 326 CG2 THR A 25 2.409 5.684 -2.393 1.00 0.00 C ATOM 0 H THR A 25 -0.115 5.915 -5.491 1.00 0.00 H new ATOM 0 HA THR A 25 1.788 4.005 -4.536 1.00 0.00 H new ATOM 0 HB THR A 25 0.797 6.654 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.842 7.394 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.837 6.613 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.755 5.253 -1.635 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.211 4.982 -2.622 1.00 0.00 H new ATOM 334 N ALA A 26 -0.930 4.617 -2.731 1.00 0.00 N ATOM 335 CA ALA A 26 -1.793 4.071 -1.691 1.00 0.00 C ATOM 336 C ALA A 26 -2.207 2.640 -2.016 1.00 0.00 C ATOM 337 O ALA A 26 -2.367 1.810 -1.120 1.00 0.00 O ATOM 338 CB ALA A 26 -3.022 4.950 -1.510 1.00 0.00 C ATOM 0 H ALA A 26 -1.253 5.500 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.230 4.055 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.658 4.530 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.712 5.955 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.578 4.995 -2.446 1.00 0.00 H new ATOM 344 N LEU A 27 -2.379 2.357 -3.302 1.00 0.00 N ATOM 345 CA LEU A 27 -2.775 1.025 -3.746 1.00 0.00 C ATOM 346 C LEU A 27 -1.653 0.018 -3.515 1.00 0.00 C ATOM 347 O LEU A 27 -1.892 -1.103 -3.064 1.00 0.00 O ATOM 348 CB LEU A 27 -3.155 1.051 -5.227 1.00 0.00 C ATOM 349 CG LEU A 27 -4.366 1.909 -5.594 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.255 2.403 -7.028 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.655 1.125 -5.397 1.00 0.00 C ATOM 0 H LEU A 27 -2.251 3.032 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.641 0.717 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.296 1.408 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.348 0.028 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.387 2.775 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.126 3.012 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.351 3.002 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.209 1.549 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.506 1.752 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.643 0.240 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.740 0.821 -4.354 1.00 0.00 H new ATOM 363 N LYS A 28 -0.427 0.425 -3.825 1.00 0.00 N ATOM 364 CA LYS A 28 0.734 -0.439 -3.648 1.00 0.00 C ATOM 365 C LYS A 28 0.857 -0.896 -2.198 1.00 0.00 C ATOM 366 O LYS A 28 1.002 -2.087 -1.923 1.00 0.00 O ATOM 367 CB LYS A 28 2.010 0.292 -4.073 1.00 0.00 C ATOM 368 CG LYS A 28 2.364 0.096 -5.537 1.00 0.00 C ATOM 369 CD LYS A 28 3.585 0.911 -5.929 1.00 0.00 C ATOM 370 CE LYS A 28 3.196 2.297 -6.421 1.00 0.00 C ATOM 371 NZ LYS A 28 2.850 2.294 -7.870 1.00 0.00 N ATOM 0 H LYS A 28 -0.212 1.349 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 28 0.599 -1.319 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.891 1.357 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.840 -0.055 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.554 -0.960 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.517 0.386 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.253 1.002 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.137 0.388 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.345 2.661 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.020 2.989 -6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.640 3.265 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.652 1.922 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.016 1.693 -8.027 1.00 0.00 H new ATOM 385 N ALA A 29 0.796 0.057 -1.275 1.00 0.00 N ATOM 386 CA ALA A 29 0.897 -0.248 0.147 1.00 0.00 C ATOM 387 C ALA A 29 -0.219 -1.190 0.587 1.00 0.00 C ATOM 388 O ALA A 29 0.012 -2.129 1.350 1.00 0.00 O ATOM 389 CB ALA A 29 0.862 1.034 0.966 1.00 0.00 C ATOM 0 H ALA A 29 0.677 1.048 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 29 1.849 -0.750 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.938 0.791 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.698 1.672 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.075 1.559 0.781 1.00 0.00 H new ATOM 395 N LEU A 30 -1.428 -0.934 0.101 1.00 0.00 N ATOM 396 CA LEU A 30 -2.581 -1.759 0.444 1.00 0.00 C ATOM 397 C LEU A 30 -2.391 -3.191 -0.046 1.00 0.00 C ATOM 398 O LEU A 30 -2.485 -4.141 0.731 1.00 0.00 O ATOM 399 CB LEU A 30 -3.855 -1.167 -0.160 1.00 0.00 C ATOM 400 CG LEU A 30 -4.404 0.085 0.527 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.498 0.720 -0.317 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.928 -0.255 1.915 1.00 0.00 C ATOM 0 H LEU A 30 -1.636 -0.162 -0.532 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.674 -1.775 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.661 -0.928 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.630 -1.934 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.592 0.804 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.877 1.609 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.092 0.999 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.311 0.007 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.315 0.647 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.727 -0.992 1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.118 -0.664 2.519 1.00 0.00 H new ATOM 414 N ALA A 31 -2.121 -3.338 -1.339 1.00 0.00 N ATOM 415 CA ALA A 31 -1.913 -4.653 -1.931 1.00 0.00 C ATOM 416 C ALA A 31 -0.719 -5.359 -1.297 1.00 0.00 C ATOM 417 O ALA A 31 -0.712 -6.581 -1.156 1.00 0.00 O ATOM 418 CB ALA A 31 -1.718 -4.530 -3.435 1.00 0.00 C ATOM 0 H ALA A 31 -2.041 -2.562 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.801 -5.255 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.564 -5.520 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.603 -4.075 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.848 -3.906 -3.639 1.00 0.00 H new ATOM 424 N ALA A 32 0.289 -4.580 -0.917 1.00 0.00 N ATOM 425 CA ALA A 32 1.487 -5.131 -0.297 1.00 0.00 C ATOM 426 C ALA A 32 1.194 -5.635 1.113 1.00 0.00 C ATOM 427 O ALA A 32 1.480 -6.786 1.444 1.00 0.00 O ATOM 428 CB ALA A 32 2.594 -4.087 -0.267 1.00 0.00 C ATOM 0 H ALA A 32 0.299 -3.566 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 32 1.819 -5.979 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.483 -4.512 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.831 -3.778 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.263 -3.222 0.307 1.00 0.00 H new ATOM 434 N THR A 33 0.622 -4.765 1.940 1.00 0.00 N ATOM 435 CA THR A 33 0.292 -5.121 3.314 1.00 0.00 C ATOM 436 C THR A 33 -0.684 -6.291 3.360 1.00 0.00 C ATOM 437 O THR A 33 -0.454 -7.277 4.059 1.00 0.00 O ATOM 438 CB THR A 33 -0.319 -3.927 4.072 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.468 -3.439 3.372 1.00 0.00 O ATOM 440 CG2 THR A 33 0.699 -2.808 4.230 1.00 0.00 C ATOM 0 H THR A 33 0.378 -3.809 1.682 1.00 0.00 H new ATOM 0 HA THR A 33 1.225 -5.411 3.798 1.00 0.00 H new ATOM 0 HB THR A 33 -0.616 -4.268 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.180 -2.938 2.580 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.245 -1.976 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.559 -3.175 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.023 -2.470 3.246 1.00 0.00 H new ATOM 448 N GLY A 34 -1.775 -6.175 2.609 1.00 0.00 N ATOM 449 CA GLY A 34 -2.769 -7.232 2.578 1.00 0.00 C ATOM 450 C GLY A 34 -4.177 -6.708 2.779 1.00 0.00 C ATOM 451 O GLY A 34 -5.021 -7.386 3.366 1.00 0.00 O ATOM 0 H GLY A 34 -1.988 -5.369 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.711 -7.753 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.542 -7.963 3.354 1.00 0.00 H new ATOM 455 N ARG A 35 -4.432 -5.498 2.293 1.00 0.00 N ATOM 456 CA ARG A 35 -5.747 -4.882 2.426 1.00 0.00 C ATOM 457 C ARG A 35 -6.324 -5.127 3.817 1.00 0.00 C ATOM 458 O ARG A 35 -7.524 -5.355 3.972 1.00 0.00 O ATOM 459 CB ARG A 35 -6.700 -5.432 1.363 1.00 0.00 C ATOM 460 CG ARG A 35 -6.265 -5.128 -0.061 1.00 0.00 C ATOM 461 CD ARG A 35 -5.253 -6.146 -0.564 1.00 0.00 C ATOM 462 NE ARG A 35 -5.862 -7.452 -0.799 1.00 0.00 N ATOM 463 CZ ARG A 35 -5.167 -8.580 -0.899 1.00 0.00 C ATOM 464 NH1 ARG A 35 -3.846 -8.561 -0.783 1.00 0.00 N ATOM 465 NH2 ARG A 35 -5.793 -9.730 -1.113 1.00 0.00 N ATOM 0 H ARG A 35 -3.745 -4.924 1.803 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.634 -3.807 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.783 -6.512 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.694 -5.015 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.136 -5.125 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.830 -4.129 -0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.803 -5.784 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.448 -6.247 0.164 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.877 -7.501 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.361 -7.679 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.315 -9.428 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.809 -9.749 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.258 -10.595 -1.190 1.00 0.00 H new ATOM 479 N LYS A 36 -5.462 -5.079 4.827 1.00 0.00 N ATOM 480 CA LYS A 36 -5.884 -5.295 6.205 1.00 0.00 C ATOM 481 C LYS A 36 -6.459 -4.015 6.805 1.00 0.00 C ATOM 482 O LYS A 36 -7.662 -3.919 7.053 1.00 0.00 O ATOM 483 CB LYS A 36 -4.705 -5.781 7.051 1.00 0.00 C ATOM 484 CG LYS A 36 -4.258 -7.193 6.715 1.00 0.00 C ATOM 485 CD LYS A 36 -3.432 -7.799 7.838 1.00 0.00 C ATOM 486 CE LYS A 36 -3.102 -9.258 7.564 1.00 0.00 C ATOM 487 NZ LYS A 36 -1.933 -9.722 8.361 1.00 0.00 N ATOM 0 H LYS A 36 -4.465 -4.892 4.716 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.663 -6.058 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.865 -5.100 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.982 -5.737 8.104 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.132 -7.817 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.671 -7.181 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.508 -7.233 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.979 -7.719 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.969 -9.876 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.893 -9.390 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.740 -10.721 8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.099 -9.149 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.142 -9.620 9.375 1.00 0.00 H new ATOM 501 N THR A 37 -5.593 -3.033 7.033 1.00 0.00 N ATOM 502 CA THR A 37 -6.015 -1.759 7.603 1.00 0.00 C ATOM 503 C THR A 37 -5.277 -0.595 6.953 1.00 0.00 C ATOM 504 O THR A 37 -4.197 -0.769 6.390 1.00 0.00 O ATOM 505 CB THR A 37 -5.778 -1.718 9.124 1.00 0.00 C ATOM 506 OG1 THR A 37 -5.853 -0.368 9.595 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.421 -2.308 9.476 1.00 0.00 C ATOM 0 H THR A 37 -4.595 -3.095 6.832 1.00 0.00 H new ATOM 0 HA THR A 37 -7.083 -1.663 7.407 1.00 0.00 H new ATOM 0 HB THR A 37 -6.552 -2.314 9.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.703 -0.351 10.563 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.276 -2.268 10.556 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.377 -3.345 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.636 -1.735 8.983 1.00 0.00 H new ATOM 515 N ALA A 38 -5.866 0.594 7.035 1.00 0.00 N ATOM 516 CA ALA A 38 -5.262 1.788 6.457 1.00 0.00 C ATOM 517 C ALA A 38 -3.867 2.027 7.025 1.00 0.00 C ATOM 518 O ALA A 38 -2.935 2.348 6.289 1.00 0.00 O ATOM 519 CB ALA A 38 -6.149 2.999 6.702 1.00 0.00 C ATOM 0 H ALA A 38 -6.761 0.756 7.496 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.166 1.633 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.686 3.884 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.124 2.835 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.274 3.147 7.775 1.00 0.00 H new ATOM 525 N GLU A 39 -3.733 1.869 8.338 1.00 0.00 N ATOM 526 CA GLU A 39 -2.451 2.070 9.003 1.00 0.00 C ATOM 527 C GLU A 39 -1.358 1.236 8.342 1.00 0.00 C ATOM 528 O GLU A 39 -0.340 1.767 7.899 1.00 0.00 O ATOM 529 CB GLU A 39 -2.558 1.708 10.486 1.00 0.00 C ATOM 530 CG GLU A 39 -1.212 1.547 11.172 1.00 0.00 C ATOM 531 CD GLU A 39 -1.338 1.023 12.590 1.00 0.00 C ATOM 532 OE1 GLU A 39 -2.189 1.545 13.341 1.00 0.00 O ATOM 533 OE2 GLU A 39 -0.588 0.092 12.948 1.00 0.00 O ATOM 0 H GLU A 39 -4.495 1.603 8.961 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.185 3.123 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.128 2.482 11.000 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.120 0.779 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.591 0.865 10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.700 2.509 11.188 1.00 0.00 H new ATOM 540 N GLU A 40 -1.577 -0.074 8.280 1.00 0.00 N ATOM 541 CA GLU A 40 -0.610 -0.982 7.675 1.00 0.00 C ATOM 542 C GLU A 40 0.032 -0.350 6.443 1.00 0.00 C ATOM 543 O GLU A 40 1.248 -0.414 6.262 1.00 0.00 O ATOM 544 CB GLU A 40 -1.286 -2.300 7.291 1.00 0.00 C ATOM 545 CG GLU A 40 -1.249 -3.346 8.393 1.00 0.00 C ATOM 546 CD GLU A 40 -0.021 -4.233 8.314 1.00 0.00 C ATOM 547 OE1 GLU A 40 0.103 -4.987 7.326 1.00 0.00 O ATOM 548 OE2 GLU A 40 0.815 -4.174 9.240 1.00 0.00 O ATOM 0 H GLU A 40 -2.415 -0.530 8.641 1.00 0.00 H new ATOM 0 HA GLU A 40 0.171 -1.182 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.324 -2.102 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.800 -2.703 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.271 -2.848 9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.144 -3.965 8.332 1.00 0.00 H new ATOM 555 N ALA A 41 -0.794 0.258 5.599 1.00 0.00 N ATOM 556 CA ALA A 41 -0.307 0.903 4.385 1.00 0.00 C ATOM 557 C ALA A 41 0.757 1.946 4.706 1.00 0.00 C ATOM 558 O ALA A 41 1.776 2.041 4.021 1.00 0.00 O ATOM 559 CB ALA A 41 -1.462 1.540 3.627 1.00 0.00 C ATOM 0 H ALA A 41 -1.803 0.318 5.733 1.00 0.00 H new ATOM 0 HA ALA A 41 0.150 0.139 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.084 2.018 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.187 0.772 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.944 2.287 4.258 1.00 0.00 H new ATOM 565 N LEU A 42 0.515 2.729 5.752 1.00 0.00 N ATOM 566 CA LEU A 42 1.453 3.767 6.165 1.00 0.00 C ATOM 567 C LEU A 42 2.803 3.164 6.537 1.00 0.00 C ATOM 568 O LEU A 42 3.852 3.732 6.236 1.00 0.00 O ATOM 569 CB LEU A 42 0.887 4.552 7.350 1.00 0.00 C ATOM 570 CG LEU A 42 0.040 5.776 7.001 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.927 6.930 6.559 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.972 5.434 5.918 1.00 0.00 C ATOM 0 H LEU A 42 -0.323 2.665 6.330 1.00 0.00 H new ATOM 0 HA LEU A 42 1.599 4.446 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.281 3.875 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.719 4.877 7.975 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.504 6.084 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.307 7.793 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.612 7.192 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.499 6.633 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.566 6.317 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.448 5.100 5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.629 4.639 6.272 1.00 0.00 H new ATOM 584 N ALA A 43 2.769 2.009 7.193 1.00 0.00 N ATOM 585 CA ALA A 43 3.990 1.326 7.603 1.00 0.00 C ATOM 586 C ALA A 43 4.787 0.852 6.393 1.00 0.00 C ATOM 587 O ALA A 43 6.004 0.685 6.466 1.00 0.00 O ATOM 588 CB ALA A 43 3.658 0.151 8.512 1.00 0.00 C ATOM 0 H ALA A 43 1.909 1.526 7.452 1.00 0.00 H new ATOM 0 HA ALA A 43 4.606 2.036 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.579 -0.350 8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.138 0.513 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.019 -0.553 7.978 1.00 0.00 H new ATOM 594 N TRP A 44 4.093 0.638 5.281 1.00 0.00 N ATOM 595 CA TRP A 44 4.737 0.182 4.054 1.00 0.00 C ATOM 596 C TRP A 44 5.182 1.365 3.201 1.00 0.00 C ATOM 597 O TRP A 44 6.141 1.264 2.435 1.00 0.00 O ATOM 598 CB TRP A 44 3.785 -0.709 3.255 1.00 0.00 C ATOM 599 CG TRP A 44 4.390 -1.241 1.990 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.863 -2.504 1.776 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.588 -0.523 0.768 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.343 -2.614 0.493 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.186 -1.413 -0.146 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.318 0.785 0.355 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.517 -1.036 -1.445 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.647 1.158 -0.934 1.00 0.00 C ATOM 607 CH2 TRP A 44 5.241 0.250 -1.822 1.00 0.00 C ATOM 0 H TRP A 44 3.085 0.773 5.203 1.00 0.00 H new ATOM 0 HA TRP A 44 5.619 -0.396 4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.472 -1.546 3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.888 -0.141 3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.860 -3.299 2.507 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.750 -3.454 0.083 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.860 1.491 1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.975 -1.734 -2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.443 2.166 -1.263 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.486 0.572 -2.823 1.00 0.00 H new ATOM 618 N LEU A 45 4.481 2.485 3.339 1.00 0.00 N ATOM 619 CA LEU A 45 4.805 3.688 2.580 1.00 0.00 C ATOM 620 C LEU A 45 6.002 4.411 3.191 1.00 0.00 C ATOM 621 O LEU A 45 6.830 4.976 2.476 1.00 0.00 O ATOM 622 CB LEU A 45 3.598 4.626 2.534 1.00 0.00 C ATOM 623 CG LEU A 45 2.371 4.105 1.785 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.154 4.965 2.089 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.637 4.064 0.288 1.00 0.00 C ATOM 0 H LEU A 45 3.685 2.585 3.969 1.00 0.00 H new ATOM 0 HA LEU A 45 5.064 3.389 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.303 4.856 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.909 5.564 2.073 1.00 0.00 H new ATOM 0 HG LEU A 45 2.166 3.090 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.291 4.579 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.950 4.942 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.347 5.992 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.753 3.691 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.868 5.068 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.481 3.404 0.086 1.00 0.00 H new ATOM 637 N HIS A 46 6.087 4.387 4.517 1.00 0.00 N ATOM 638 CA HIS A 46 7.185 5.038 5.224 1.00 0.00 C ATOM 639 C HIS A 46 8.488 4.268 5.031 1.00 0.00 C ATOM 640 O HIS A 46 9.574 4.797 5.269 1.00 0.00 O ATOM 641 CB HIS A 46 6.862 5.153 6.714 1.00 0.00 C ATOM 642 CG HIS A 46 6.120 6.403 7.072 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.745 7.612 7.295 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.796 6.629 7.243 1.00 0.00 C ATOM 645 CE1 HIS A 46 5.839 8.527 7.590 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.648 7.956 7.564 1.00 0.00 N ATOM 0 H HIS A 46 5.410 3.924 5.123 1.00 0.00 H new ATOM 0 HA HIS A 46 7.310 6.038 4.809 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.269 4.290 7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.791 5.117 7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.004 5.901 7.145 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.038 9.565 7.814 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.762 8.425 7.752 1.00 0.00 H new ATOM 655 N ASP A 47 8.371 3.017 4.601 1.00 0.00 N ATOM 656 CA ASP A 47 9.540 2.174 4.376 1.00 0.00 C ATOM 657 C ASP A 47 9.911 2.142 2.896 1.00 0.00 C ATOM 658 O ASP A 47 11.078 1.974 2.541 1.00 0.00 O ATOM 659 CB ASP A 47 9.275 0.754 4.878 1.00 0.00 C ATOM 660 CG ASP A 47 10.541 0.056 5.336 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.600 0.276 4.710 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.474 -0.709 6.320 1.00 0.00 O ATOM 0 H ASP A 47 7.479 2.564 4.401 1.00 0.00 H new ATOM 0 HA ASP A 47 10.376 2.598 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.565 0.790 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.810 0.172 4.083 1.00 0.00 H new ATOM 667 N HIS A 48 8.910 2.304 2.037 1.00 0.00 N ATOM 668 CA HIS A 48 9.130 2.294 0.595 1.00 0.00 C ATOM 669 C HIS A 48 9.403 3.703 0.077 1.00 0.00 C ATOM 670 O HIS A 48 10.353 3.925 -0.674 1.00 0.00 O ATOM 671 CB HIS A 48 7.919 1.698 -0.123 1.00 0.00 C ATOM 672 CG HIS A 48 7.928 0.202 -0.174 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.120 -0.511 -1.339 1.00 0.00 N ATOM 674 CD2 HIS A 48 7.770 -0.718 0.806 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.077 -1.804 -1.074 1.00 0.00 C ATOM 676 NE2 HIS A 48 7.866 -1.957 0.221 1.00 0.00 N ATOM 0 H HIS A 48 7.938 2.444 2.314 1.00 0.00 H new ATOM 0 HA HIS A 48 10.004 1.676 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.010 2.030 0.378 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.882 2.088 -1.140 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.600 -0.516 1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.194 -2.601 -1.794 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.787 -2.850 0.707 1.00 0.00 H new ATOM 685 N CYS A 49 8.563 4.649 0.482 1.00 0.00 N ATOM 686 CA CYS A 49 8.712 6.036 0.057 1.00 0.00 C ATOM 687 C CYS A 49 10.179 6.454 0.068 1.00 0.00 C ATOM 688 O CYS A 49 10.578 7.374 -0.643 1.00 0.00 O ATOM 689 CB CYS A 49 7.899 6.960 0.966 1.00 0.00 C ATOM 690 SG CYS A 49 8.259 8.718 0.743 1.00 0.00 S ATOM 0 H CYS A 49 7.772 4.481 1.104 1.00 0.00 H new ATOM 0 HA CYS A 49 8.337 6.120 -0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.838 6.791 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.090 6.690 2.005 1.00 0.00 H new ATOM 0 HG CYS A 49 9.369 8.853 0.079 1.00 0.00 H new ATOM 696 N ASN A 50 10.977 5.771 0.883 1.00 0.00 N ATOM 697 CA ASN A 50 12.400 6.072 0.989 1.00 0.00 C ATOM 698 C ASN A 50 13.203 5.267 -0.027 1.00 0.00 C ATOM 699 O ASN A 50 14.195 4.624 0.319 1.00 0.00 O ATOM 700 CB ASN A 50 12.901 5.775 2.404 1.00 0.00 C ATOM 701 CG ASN A 50 12.209 6.623 3.453 1.00 0.00 C ATOM 702 OD1 ASN A 50 11.141 7.185 3.208 1.00 0.00 O ATOM 703 ND2 ASN A 50 12.816 6.720 4.630 1.00 0.00 N ATOM 0 H ASN A 50 10.662 5.006 1.479 1.00 0.00 H new ATOM 0 HA ASN A 50 12.539 7.132 0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.740 4.721 2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.976 5.951 2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.398 7.277 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.700 6.237 4.789 1.00 0.00 H new ATOM 710 N ASP A 51 12.770 5.308 -1.282 1.00 0.00 N ATOM 711 CA ASP A 51 13.450 4.584 -2.350 1.00 0.00 C ATOM 712 C ASP A 51 13.712 5.496 -3.544 1.00 0.00 C ATOM 713 O ASP A 51 12.910 6.370 -3.877 1.00 0.00 O ATOM 714 CB ASP A 51 12.618 3.377 -2.787 1.00 0.00 C ATOM 715 CG ASP A 51 12.931 2.134 -1.978 1.00 0.00 C ATOM 716 OD1 ASP A 51 12.910 2.216 -0.732 1.00 0.00 O ATOM 717 OD2 ASP A 51 13.199 1.079 -2.591 1.00 0.00 O ATOM 0 H ASP A 51 11.951 5.835 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 51 14.408 4.235 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.559 3.614 -2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.802 3.176 -3.842 1.00 0.00 H new ATOM 722 N PRO A 52 14.861 5.292 -4.205 1.00 0.00 N ATOM 723 CA PRO A 52 15.256 6.086 -5.371 1.00 0.00 C ATOM 724 C PRO A 52 14.389 5.795 -6.591 1.00 0.00 C ATOM 725 O PRO A 52 14.375 6.563 -7.553 1.00 0.00 O ATOM 726 CB PRO A 52 16.701 5.650 -5.626 1.00 0.00 C ATOM 727 CG PRO A 52 16.789 4.279 -5.048 1.00 0.00 C ATOM 728 CD PRO A 52 15.863 4.268 -3.864 1.00 0.00 C ATOM 0 HA PRO A 52 15.145 7.155 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.932 5.646 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.409 6.327 -5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.495 3.527 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 52 17.811 4.048 -4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.405 3.289 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.388 4.512 -2.941 1.00 0.00 H new ATOM 736 N SER A 53 13.666 4.680 -6.545 1.00 0.00 N ATOM 737 CA SER A 53 12.798 4.286 -7.649 1.00 0.00 C ATOM 738 C SER A 53 11.347 4.659 -7.359 1.00 0.00 C ATOM 739 O SER A 53 10.506 4.675 -8.259 1.00 0.00 O ATOM 740 CB SER A 53 12.909 2.781 -7.900 1.00 0.00 C ATOM 741 OG SER A 53 14.089 2.469 -8.619 1.00 0.00 O ATOM 0 H SER A 53 13.664 4.034 -5.756 1.00 0.00 H new ATOM 0 HA SER A 53 13.121 4.821 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.908 2.250 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.038 2.437 -8.458 1.00 0.00 H new ATOM 0 HG SER A 53 14.137 1.501 -8.765 1.00 0.00 H new ATOM 747 N LEU A 54 11.061 4.960 -6.098 1.00 0.00 N ATOM 748 CA LEU A 54 9.712 5.334 -5.687 1.00 0.00 C ATOM 749 C LEU A 54 9.631 6.825 -5.376 1.00 0.00 C ATOM 750 O LEU A 54 9.063 7.227 -4.360 1.00 0.00 O ATOM 751 CB LEU A 54 9.286 4.522 -4.463 1.00 0.00 C ATOM 752 CG LEU A 54 8.971 3.047 -4.712 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.769 2.314 -3.395 1.00 0.00 C ATOM 754 CD2 LEU A 54 7.741 2.906 -5.597 1.00 0.00 C ATOM 0 H LEU A 54 11.745 4.953 -5.342 1.00 0.00 H new ATOM 0 HA LEU A 54 9.034 5.117 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.079 4.583 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.404 4.993 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 54 9.819 2.597 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.546 1.266 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.677 2.385 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.939 2.765 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.532 1.849 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.886 3.373 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.923 3.395 -6.554 1.00 0.00 H new ATOM 766 N ASP A 55 10.201 7.640 -6.257 1.00 0.00 N ATOM 767 CA ASP A 55 10.190 9.087 -6.078 1.00 0.00 C ATOM 768 C ASP A 55 8.817 9.568 -5.621 1.00 0.00 C ATOM 769 O ASP A 55 7.803 9.275 -6.255 1.00 0.00 O ATOM 770 CB ASP A 55 10.583 9.786 -7.381 1.00 0.00 C ATOM 771 CG ASP A 55 11.635 9.018 -8.156 1.00 0.00 C ATOM 772 OD1 ASP A 55 12.794 8.968 -7.692 1.00 0.00 O ATOM 773 OD2 ASP A 55 11.301 8.468 -9.226 1.00 0.00 O ATOM 0 H ASP A 55 10.676 7.323 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 55 10.917 9.339 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.697 9.912 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.959 10.784 -7.155 1.00 0.00 H new ATOM 778 N ASP A 56 8.791 10.308 -4.518 1.00 0.00 N ATOM 779 CA ASP A 56 7.542 10.830 -3.976 1.00 0.00 C ATOM 780 C ASP A 56 7.459 12.342 -4.162 1.00 0.00 C ATOM 781 O ASP A 56 8.459 13.057 -4.087 1.00 0.00 O ATOM 782 CB ASP A 56 7.419 10.479 -2.493 1.00 0.00 C ATOM 783 CG ASP A 56 8.427 11.219 -1.636 1.00 0.00 C ATOM 784 OD1 ASP A 56 9.641 10.999 -1.827 1.00 0.00 O ATOM 785 OD2 ASP A 56 8.002 12.018 -0.775 1.00 0.00 O ATOM 0 H ASP A 56 9.621 10.560 -3.982 1.00 0.00 H new ATOM 0 HA ASP A 56 6.718 10.369 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.412 10.715 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.556 9.405 -2.364 1.00 0.00 H new ATOM 790 N PRO A 57 6.240 12.841 -4.412 1.00 0.00 N ATOM 791 CA PRO A 57 5.997 14.273 -4.614 1.00 0.00 C ATOM 792 C PRO A 57 6.172 15.078 -3.331 1.00 0.00 C ATOM 793 O PRO A 57 6.755 16.162 -3.342 1.00 0.00 O ATOM 794 CB PRO A 57 4.541 14.323 -5.083 1.00 0.00 C ATOM 795 CG PRO A 57 3.920 13.090 -4.523 1.00 0.00 C ATOM 796 CD PRO A 57 5.004 12.048 -4.515 1.00 0.00 C ATOM 0 HA PRO A 57 6.702 14.710 -5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.039 15.219 -4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.476 14.340 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.541 13.267 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.074 12.769 -5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.896 11.362 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.988 11.445 -5.423 1.00 0.00 H new ATOM 804 N ILE A 58 5.664 14.540 -2.227 1.00 0.00 N ATOM 805 CA ILE A 58 5.766 15.208 -0.936 1.00 0.00 C ATOM 806 C ILE A 58 7.117 15.896 -0.778 1.00 0.00 C ATOM 807 O ILE A 58 8.101 15.271 -0.381 1.00 0.00 O ATOM 808 CB ILE A 58 5.567 14.219 0.227 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.143 13.658 0.211 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.859 14.899 1.557 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.000 12.396 -0.610 1.00 0.00 C ATOM 0 H ILE A 58 5.178 13.644 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 58 4.974 15.956 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 58 6.265 13.391 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.830 13.453 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.467 14.417 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.714 14.187 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.889 15.254 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.183 15.744 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.965 12.055 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.281 12.600 -1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.650 11.622 -0.203 1.00 0.00 H new ATOM 823 N SER A 59 7.158 17.187 -1.090 1.00 0.00 N ATOM 824 CA SER A 59 8.390 17.961 -0.985 1.00 0.00 C ATOM 825 C SER A 59 9.027 17.783 0.390 1.00 0.00 C ATOM 826 O SER A 59 8.577 18.367 1.375 1.00 0.00 O ATOM 827 CB SER A 59 8.111 19.443 -1.242 1.00 0.00 C ATOM 828 OG SER A 59 9.302 20.137 -1.570 1.00 0.00 O ATOM 0 H SER A 59 6.352 17.720 -1.418 1.00 0.00 H new ATOM 0 HA SER A 59 9.086 17.594 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.391 19.545 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.658 19.890 -0.357 1.00 0.00 H new ATOM 0 HG SER A 59 9.096 21.082 -1.731 1.00 0.00 H new ATOM 834 N GLY A 60 10.078 16.971 0.448 1.00 0.00 N ATOM 835 CA GLY A 60 10.761 16.730 1.706 1.00 0.00 C ATOM 836 C GLY A 60 9.798 16.549 2.863 1.00 0.00 C ATOM 837 O GLY A 60 8.627 16.216 2.678 1.00 0.00 O ATOM 0 H GLY A 60 10.469 16.476 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.384 15.840 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.428 17.565 1.920 1.00 0.00 H new ATOM 841 N PRO A 61 10.293 16.770 4.090 1.00 0.00 N ATOM 842 CA PRO A 61 9.485 16.634 5.306 1.00 0.00 C ATOM 843 C PRO A 61 8.431 17.729 5.427 1.00 0.00 C ATOM 844 O PRO A 61 7.593 17.701 6.328 1.00 0.00 O ATOM 845 CB PRO A 61 10.515 16.756 6.431 1.00 0.00 C ATOM 846 CG PRO A 61 11.631 17.546 5.840 1.00 0.00 C ATOM 847 CD PRO A 61 11.679 17.170 4.385 1.00 0.00 C ATOM 0 HA PRO A 61 8.925 15.699 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.093 17.258 7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.857 15.776 6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.459 18.615 5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.575 17.317 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.996 18.008 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.380 16.355 4.203 1.00 0.00 H new ATOM 855 N SER A 62 8.479 18.694 4.513 1.00 0.00 N ATOM 856 CA SER A 62 7.530 19.801 4.520 1.00 0.00 C ATOM 857 C SER A 62 7.566 20.538 5.856 1.00 0.00 C ATOM 858 O SER A 62 6.526 20.803 6.459 1.00 0.00 O ATOM 859 CB SER A 62 6.115 19.289 4.245 1.00 0.00 C ATOM 860 OG SER A 62 5.222 20.364 4.008 1.00 0.00 O ATOM 0 H SER A 62 9.165 18.731 3.759 1.00 0.00 H new ATOM 0 HA SER A 62 7.816 20.498 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.127 18.624 3.381 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.766 18.702 5.094 1.00 0.00 H new ATOM 0 HG SER A 62 5.259 20.992 4.760 1.00 0.00 H new ATOM 866 N SER A 63 8.770 20.867 6.312 1.00 0.00 N ATOM 867 CA SER A 63 8.943 21.570 7.577 1.00 0.00 C ATOM 868 C SER A 63 8.250 22.929 7.543 1.00 0.00 C ATOM 869 O SER A 63 8.019 23.494 6.474 1.00 0.00 O ATOM 870 CB SER A 63 10.430 21.752 7.885 1.00 0.00 C ATOM 871 OG SER A 63 11.050 20.506 8.157 1.00 0.00 O ATOM 0 H SER A 63 9.641 20.658 5.824 1.00 0.00 H new ATOM 0 HA SER A 63 8.487 20.968 8.363 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.924 22.231 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.549 22.416 8.741 1.00 0.00 H new ATOM 0 HG SER A 63 12.000 20.649 8.349 1.00 0.00 H new ATOM 877 N GLY A 64 7.921 23.449 8.722 1.00 0.00 N ATOM 878 CA GLY A 64 7.257 24.737 8.805 1.00 0.00 C ATOM 879 C GLY A 64 5.869 24.715 8.197 1.00 0.00 C ATOM 880 O GLY A 64 5.185 25.737 8.157 1.00 0.00 O ATOM 0 H GLY A 64 8.102 23.002 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.188 25.040 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.862 25.487 8.295 1.00 0.00 H new TER 884 GLY A 64