USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.4!) 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 16:sc= 1.19 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 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0742) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.8!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 25 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.5) USER MOD Single : A 29 THR OG1 : rot -75:sc= 0.684 USER MOD Single : A 39 ASN : amide:sc= -3.01! C(o=-3!,f=-1.5!) USER MOD Single : A 50 TYR OH : rot -15:sc= 1.27 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.998 K(o=1,f=-0.0038) USER MOD Single : A 63 GLN : amide:sc= -1.99 K(o=-2,f=-3.3!) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00879) USER MOD Single : A 66 THR OG1 : rot 115:sc= 1.2 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= -4.76! (180deg=-7.45!) USER MOD Single : A 74 SER OG : rot 170:sc= 0.0355 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc=4.41e-05 USER MOD Single : A 92 SER OG : rot 37:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.100 3.882 31.434 1.00 0.00 N ATOM 2 CA GLY A 1 17.981 5.150 30.739 1.00 0.00 C ATOM 3 C GLY A 1 16.554 5.451 30.324 1.00 0.00 C ATOM 4 O GLY A 1 15.838 4.568 29.851 1.00 0.00 O ATOM 0 H1 GLY A 1 19.093 3.722 31.697 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.514 3.900 32.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.778 3.113 30.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.345 5.950 31.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.619 5.138 29.855 1.00 0.00 H new ATOM 8 N SER A 2 16.139 6.702 30.501 1.00 0.00 N ATOM 9 CA SER A 2 14.787 7.116 30.146 1.00 0.00 C ATOM 10 C SER A 2 14.816 8.307 29.193 1.00 0.00 C ATOM 11 O SER A 2 15.832 8.990 29.067 1.00 0.00 O ATOM 12 CB SER A 2 13.994 7.475 31.405 1.00 0.00 C ATOM 13 OG SER A 2 14.338 8.767 31.873 1.00 0.00 O ATOM 0 H SER A 2 16.720 7.446 30.888 1.00 0.00 H new ATOM 0 HA SER A 2 14.298 6.282 29.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.926 7.435 31.190 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.190 6.738 32.184 1.00 0.00 H new ATOM 0 HG SER A 2 13.817 8.973 32.677 1.00 0.00 H new ATOM 19 N SER A 3 13.693 8.548 28.524 1.00 0.00 N ATOM 20 CA SER A 3 13.590 9.654 27.578 1.00 0.00 C ATOM 21 C SER A 3 12.139 9.884 27.169 1.00 0.00 C ATOM 22 O SER A 3 11.328 8.959 27.166 1.00 0.00 O ATOM 23 CB SER A 3 14.443 9.375 26.339 1.00 0.00 C ATOM 24 OG SER A 3 15.797 9.732 26.561 1.00 0.00 O ATOM 0 H SER A 3 12.842 7.993 28.619 1.00 0.00 H new ATOM 0 HA SER A 3 13.959 10.555 28.068 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.380 8.318 26.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.051 9.935 25.490 1.00 0.00 H new ATOM 0 HG SER A 3 15.954 9.838 27.523 1.00 0.00 H new ATOM 30 N GLY A 4 11.818 11.127 26.822 1.00 0.00 N ATOM 31 CA GLY A 4 10.465 11.459 26.416 1.00 0.00 C ATOM 32 C GLY A 4 9.996 12.782 26.988 1.00 0.00 C ATOM 33 O GLY A 4 10.349 13.141 28.111 1.00 0.00 O ATOM 0 H GLY A 4 12.471 11.910 26.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.415 11.499 25.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.788 10.667 26.737 1.00 0.00 H new ATOM 37 N SER A 5 9.198 13.510 26.213 1.00 0.00 N ATOM 38 CA SER A 5 8.684 14.804 26.646 1.00 0.00 C ATOM 39 C SER A 5 7.696 15.365 25.628 1.00 0.00 C ATOM 40 O SER A 5 7.611 14.883 24.498 1.00 0.00 O ATOM 41 CB SER A 5 9.835 15.790 26.855 1.00 0.00 C ATOM 42 OG SER A 5 9.518 16.739 27.859 1.00 0.00 O ATOM 0 H SER A 5 8.894 13.225 25.282 1.00 0.00 H new ATOM 0 HA SER A 5 8.162 14.661 27.592 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.737 15.246 27.136 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.051 16.305 25.919 1.00 0.00 H new ATOM 0 HG SER A 5 10.270 17.356 27.975 1.00 0.00 H new ATOM 48 N SER A 6 6.951 16.387 26.036 1.00 0.00 N ATOM 49 CA SER A 6 5.966 17.013 25.162 1.00 0.00 C ATOM 50 C SER A 6 6.088 18.533 25.206 1.00 0.00 C ATOM 51 O SER A 6 6.598 19.098 26.173 1.00 0.00 O ATOM 52 CB SER A 6 4.553 16.591 25.567 1.00 0.00 C ATOM 53 OG SER A 6 4.302 16.890 26.929 1.00 0.00 O ATOM 0 H SER A 6 7.011 16.799 26.967 1.00 0.00 H new ATOM 0 HA SER A 6 6.158 16.681 24.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.823 17.102 24.939 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.427 15.522 25.397 1.00 0.00 H new ATOM 0 HG SER A 6 3.392 16.612 27.163 1.00 0.00 H new ATOM 59 N GLY A 7 5.615 19.190 24.151 1.00 0.00 N ATOM 60 CA GLY A 7 5.680 20.638 24.089 1.00 0.00 C ATOM 61 C GLY A 7 4.683 21.221 23.107 1.00 0.00 C ATOM 62 O GLY A 7 3.552 20.751 22.985 1.00 0.00 O ATOM 0 H GLY A 7 5.188 18.745 23.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.492 21.050 25.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.687 20.942 23.803 1.00 0.00 H new ATOM 66 N PRO A 8 5.101 22.273 22.387 1.00 0.00 N ATOM 67 CA PRO A 8 4.251 22.944 21.399 1.00 0.00 C ATOM 68 C PRO A 8 3.996 22.079 20.170 1.00 0.00 C ATOM 69 O PRO A 8 4.858 21.306 19.752 1.00 0.00 O ATOM 70 CB PRO A 8 5.062 24.186 21.020 1.00 0.00 C ATOM 71 CG PRO A 8 6.477 23.814 21.298 1.00 0.00 C ATOM 72 CD PRO A 8 6.437 22.886 22.481 1.00 0.00 C ATOM 0 HA PRO A 8 3.262 23.169 21.798 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.920 24.447 19.971 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.758 25.052 21.608 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.929 23.326 20.434 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.077 24.698 21.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.227 22.137 22.431 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.567 23.425 23.419 1.00 0.00 H new ATOM 80 N LYS A 9 2.806 22.214 19.594 1.00 0.00 N ATOM 81 CA LYS A 9 2.436 21.446 18.411 1.00 0.00 C ATOM 82 C LYS A 9 1.829 22.350 17.344 1.00 0.00 C ATOM 83 O LYS A 9 1.001 23.216 17.627 1.00 0.00 O ATOM 84 CB LYS A 9 1.445 20.341 18.784 1.00 0.00 C ATOM 85 CG LYS A 9 2.104 19.106 19.375 1.00 0.00 C ATOM 86 CD LYS A 9 2.729 18.238 18.296 1.00 0.00 C ATOM 87 CE LYS A 9 3.147 16.882 18.844 1.00 0.00 C ATOM 88 NZ LYS A 9 1.973 16.004 19.105 1.00 0.00 N ATOM 0 H LYS A 9 2.081 22.849 19.928 1.00 0.00 H new ATOM 0 HA LYS A 9 3.340 20.992 18.006 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.726 20.737 19.501 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.884 20.053 17.895 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.870 19.408 20.090 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.364 18.526 19.927 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.018 18.099 17.482 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.598 18.746 17.877 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.815 16.394 18.135 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.709 17.021 19.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.300 15.036 19.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.448 16.362 19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.350 16.000 18.272 1.00 0.00 H new ATOM 102 N PRO A 10 2.246 22.145 16.086 1.00 0.00 N ATOM 103 CA PRO A 10 1.754 22.931 14.950 1.00 0.00 C ATOM 104 C PRO A 10 0.297 22.623 14.621 1.00 0.00 C ATOM 105 O PRO A 10 -0.341 21.807 15.286 1.00 0.00 O ATOM 106 CB PRO A 10 2.666 22.499 13.799 1.00 0.00 C ATOM 107 CG PRO A 10 3.131 21.135 14.174 1.00 0.00 C ATOM 108 CD PRO A 10 3.231 21.130 15.675 1.00 0.00 C ATOM 0 HA PRO A 10 1.779 24.002 15.153 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.128 22.487 12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.505 23.184 13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.431 20.375 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.096 20.912 13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.995 20.150 16.090 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.236 21.386 16.012 1.00 0.00 H new ATOM 116 N LEU A 11 -0.222 23.280 13.590 1.00 0.00 N ATOM 117 CA LEU A 11 -1.605 23.076 13.171 1.00 0.00 C ATOM 118 C LEU A 11 -1.676 22.696 11.696 1.00 0.00 C ATOM 119 O LEU A 11 -1.170 23.414 10.833 1.00 0.00 O ATOM 120 CB LEU A 11 -2.427 24.341 13.424 1.00 0.00 C ATOM 121 CG LEU A 11 -3.909 24.128 13.734 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.487 25.345 14.440 1.00 0.00 C ATOM 123 CD2 LEU A 11 -4.684 23.831 12.459 1.00 0.00 C ATOM 0 H LEU A 11 0.293 23.958 13.029 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.020 22.257 13.759 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.977 24.882 14.256 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.349 24.983 12.546 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.001 23.269 14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.542 25.175 14.653 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.951 25.512 15.374 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.382 26.221 13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.737 23.682 12.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.584 24.669 11.769 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.287 22.929 11.994 1.00 0.00 H new ATOM 135 N LYS A 12 -2.311 21.564 11.412 1.00 0.00 N ATOM 136 CA LYS A 12 -2.453 21.088 10.041 1.00 0.00 C ATOM 137 C LYS A 12 -3.924 20.964 9.658 1.00 0.00 C ATOM 138 O LYS A 12 -4.768 20.647 10.495 1.00 0.00 O ATOM 139 CB LYS A 12 -1.755 19.737 9.873 1.00 0.00 C ATOM 140 CG LYS A 12 -0.239 19.829 9.889 1.00 0.00 C ATOM 141 CD LYS A 12 0.321 20.054 8.494 1.00 0.00 C ATOM 142 CE LYS A 12 1.729 20.627 8.545 1.00 0.00 C ATOM 143 NZ LYS A 12 2.047 21.425 7.328 1.00 0.00 N ATOM 0 H LYS A 12 -2.736 20.958 12.114 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.984 21.816 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.078 19.069 10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.073 19.288 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.070 20.645 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.178 18.912 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.330 19.111 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.330 20.734 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.834 21.256 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.449 19.814 8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.015 21.798 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.972 20.819 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.376 22.216 7.246 1.00 0.00 H new ATOM 157 N ASN A 13 -4.223 21.214 8.387 1.00 0.00 N ATOM 158 CA ASN A 13 -5.593 21.128 7.894 1.00 0.00 C ATOM 159 C ASN A 13 -6.140 19.713 8.049 1.00 0.00 C ATOM 160 O ASN A 13 -5.383 18.741 8.073 1.00 0.00 O ATOM 161 CB ASN A 13 -5.655 21.552 6.425 1.00 0.00 C ATOM 162 CG ASN A 13 -5.459 23.045 6.245 1.00 0.00 C ATOM 163 OD1 ASN A 13 -4.633 23.660 6.920 1.00 0.00 O ATOM 164 ND2 ASN A 13 -6.222 23.636 5.333 1.00 0.00 N ATOM 0 H ASN A 13 -3.536 21.477 7.681 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.209 21.803 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.889 21.017 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.619 21.262 6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.137 24.639 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.894 23.087 4.796 1.00 0.00 H new ATOM 171 N LEU A 14 -7.460 19.603 8.155 1.00 0.00 N ATOM 172 CA LEU A 14 -8.110 18.306 8.308 1.00 0.00 C ATOM 173 C LEU A 14 -8.649 17.806 6.971 1.00 0.00 C ATOM 174 O LEU A 14 -9.743 17.247 6.902 1.00 0.00 O ATOM 175 CB LEU A 14 -9.247 18.400 9.326 1.00 0.00 C ATOM 176 CG LEU A 14 -8.829 18.473 10.795 1.00 0.00 C ATOM 177 CD1 LEU A 14 -9.953 19.047 11.643 1.00 0.00 C ATOM 178 CD2 LEU A 14 -8.425 17.097 11.303 1.00 0.00 C ATOM 0 H LEU A 14 -8.101 20.396 8.138 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.366 17.595 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.843 19.283 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.896 17.534 9.196 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.967 19.136 10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.637 19.091 12.685 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.195 20.051 11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.834 18.411 11.558 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.130 17.168 12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.268 16.412 11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.587 16.724 10.715 1.00 0.00 H new ATOM 190 N ASP A 15 -7.872 18.010 5.913 1.00 0.00 N ATOM 191 CA ASP A 15 -8.270 17.577 4.578 1.00 0.00 C ATOM 192 C ASP A 15 -8.670 16.105 4.581 1.00 0.00 C ATOM 193 O ASP A 15 -9.733 15.739 4.081 1.00 0.00 O ATOM 194 CB ASP A 15 -7.130 17.806 3.584 1.00 0.00 C ATOM 195 CG ASP A 15 -6.859 19.278 3.344 1.00 0.00 C ATOM 196 OD1 ASP A 15 -7.293 20.105 4.173 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.212 19.603 2.326 1.00 0.00 O ATOM 0 H ASP A 15 -6.964 18.472 5.953 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.133 18.169 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.224 17.329 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.375 17.325 2.637 1.00 0.00 H new ATOM 202 N GLY A 16 -7.811 15.264 5.148 1.00 0.00 N ATOM 203 CA GLY A 16 -8.092 13.841 5.204 1.00 0.00 C ATOM 204 C GLY A 16 -7.006 13.009 4.552 1.00 0.00 C ATOM 205 O GLY A 16 -6.624 11.960 5.070 1.00 0.00 O ATOM 0 H GLY A 16 -6.925 15.543 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.203 13.537 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.043 13.642 4.710 1.00 0.00 H new ATOM 209 N GLN A 17 -6.510 13.476 3.411 1.00 0.00 N ATOM 210 CA GLN A 17 -5.464 12.766 2.685 1.00 0.00 C ATOM 211 C GLN A 17 -4.416 12.211 3.646 1.00 0.00 C ATOM 212 O GLN A 17 -3.722 11.244 3.332 1.00 0.00 O ATOM 213 CB GLN A 17 -4.799 13.694 1.668 1.00 0.00 C ATOM 214 CG GLN A 17 -5.750 14.205 0.598 1.00 0.00 C ATOM 215 CD GLN A 17 -5.029 14.899 -0.541 1.00 0.00 C ATOM 216 OE1 GLN A 17 -4.000 15.544 -0.339 1.00 0.00 O ATOM 217 NE2 GLN A 17 -5.567 14.770 -1.748 1.00 0.00 N ATOM 0 H GLN A 17 -6.816 14.343 2.969 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.926 11.932 2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.366 14.545 2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.976 13.164 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.328 13.370 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.460 14.898 1.049 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.421 14.226 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.126 15.215 -2.553 1.00 0.00 H new ATOM 226 N PHE A 18 -4.307 12.831 4.816 1.00 0.00 N ATOM 227 CA PHE A 18 -3.343 12.400 5.822 1.00 0.00 C ATOM 228 C PHE A 18 -3.704 11.021 6.366 1.00 0.00 C ATOM 229 O PHE A 18 -4.838 10.782 6.783 1.00 0.00 O ATOM 230 CB PHE A 18 -3.283 13.412 6.968 1.00 0.00 C ATOM 231 CG PHE A 18 -2.963 14.809 6.517 1.00 0.00 C ATOM 232 CD1 PHE A 18 -3.969 15.662 6.094 1.00 0.00 C ATOM 233 CD2 PHE A 18 -1.655 15.268 6.517 1.00 0.00 C ATOM 234 CE1 PHE A 18 -3.677 16.948 5.679 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.358 16.553 6.103 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.370 17.394 5.683 1.00 0.00 C ATOM 0 H PHE A 18 -4.874 13.633 5.091 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.364 12.339 5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.241 13.417 7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.531 13.090 7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.993 15.319 6.088 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.860 14.615 6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.471 17.603 5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.335 16.899 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.140 18.398 5.358 1.00 0.00 H new ATOM 246 N CYS A 19 -2.732 10.115 6.358 1.00 0.00 N ATOM 247 CA CYS A 19 -2.945 8.759 6.848 1.00 0.00 C ATOM 248 C CYS A 19 -3.479 8.775 8.278 1.00 0.00 C ATOM 249 O CYS A 19 -3.242 9.721 9.028 1.00 0.00 O ATOM 250 CB CYS A 19 -1.641 7.961 6.788 1.00 0.00 C ATOM 251 SG CYS A 19 -1.747 6.306 7.540 1.00 0.00 S ATOM 0 H CYS A 19 -1.788 10.296 6.017 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.685 8.280 6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.339 7.856 5.746 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.857 8.527 7.291 1.00 0.00 H new ATOM 256 N GLU A 20 -4.201 7.721 8.646 1.00 0.00 N ATOM 257 CA GLU A 20 -4.768 7.615 9.985 1.00 0.00 C ATOM 258 C GLU A 20 -3.962 6.644 10.843 1.00 0.00 C ATOM 259 O GLU A 20 -3.738 6.886 12.029 1.00 0.00 O ATOM 260 CB GLU A 20 -6.227 7.158 9.910 1.00 0.00 C ATOM 261 CG GLU A 20 -7.217 8.301 9.765 1.00 0.00 C ATOM 262 CD GLU A 20 -7.507 8.992 11.083 1.00 0.00 C ATOM 263 OE1 GLU A 20 -6.601 9.041 11.941 1.00 0.00 O ATOM 264 OE2 GLU A 20 -8.641 9.485 11.257 1.00 0.00 O ATOM 0 H GLU A 20 -4.407 6.930 8.036 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.727 8.601 10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.343 6.479 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.468 6.592 10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.824 9.029 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.148 7.919 9.347 1.00 0.00 H new ATOM 271 N ILE A 21 -3.531 5.545 10.234 1.00 0.00 N ATOM 272 CA ILE A 21 -2.750 4.537 10.940 1.00 0.00 C ATOM 273 C ILE A 21 -1.634 5.180 11.758 1.00 0.00 C ATOM 274 O ILE A 21 -1.616 5.085 12.985 1.00 0.00 O ATOM 275 CB ILE A 21 -2.134 3.516 9.965 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.233 2.813 9.167 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.290 2.502 10.723 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.706 1.962 8.032 1.00 0.00 C ATOM 0 H ILE A 21 -3.709 5.330 9.253 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.436 4.018 11.610 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.488 4.047 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.815 2.185 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.913 3.563 8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.862 1.787 10.020 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.488 3.018 11.250 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.915 1.973 11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.541 1.494 7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.148 2.589 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.049 1.190 8.431 1.00 0.00 H new ATOM 290 N CYS A 22 -0.706 5.836 11.069 1.00 0.00 N ATOM 291 CA CYS A 22 0.413 6.496 11.730 1.00 0.00 C ATOM 292 C CYS A 22 0.130 7.983 11.923 1.00 0.00 C ATOM 293 O CYS A 22 0.334 8.530 13.006 1.00 0.00 O ATOM 294 CB CYS A 22 1.694 6.311 10.916 1.00 0.00 C ATOM 295 SG CYS A 22 1.630 7.046 9.250 1.00 0.00 S ATOM 0 H CYS A 22 -0.707 5.925 10.053 1.00 0.00 H new ATOM 0 HA CYS A 22 0.545 6.039 12.711 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.527 6.752 11.464 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.902 5.245 10.823 1.00 0.00 H new ATOM 300 N GLY A 23 -0.343 8.633 10.863 1.00 0.00 N ATOM 301 CA GLY A 23 -0.647 10.050 10.936 1.00 0.00 C ATOM 302 C GLY A 23 -0.015 10.837 9.805 1.00 0.00 C ATOM 303 O GLY A 23 -0.616 11.775 9.281 1.00 0.00 O ATOM 0 H GLY A 23 -0.521 8.203 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.728 10.188 10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.297 10.445 11.890 1.00 0.00 H new ATOM 307 N ASP A 24 1.201 10.457 9.429 1.00 0.00 N ATOM 308 CA ASP A 24 1.915 11.134 8.353 1.00 0.00 C ATOM 309 C ASP A 24 0.968 11.491 7.212 1.00 0.00 C ATOM 310 O ASP A 24 -0.118 10.923 7.094 1.00 0.00 O ATOM 311 CB ASP A 24 3.052 10.253 7.833 1.00 0.00 C ATOM 312 CG ASP A 24 4.230 11.064 7.330 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.085 11.739 6.288 1.00 0.00 O ATOM 314 OD2 ASP A 24 5.296 11.026 7.978 1.00 0.00 O ATOM 0 H ASP A 24 1.713 9.684 9.853 1.00 0.00 H new ATOM 0 HA ASP A 24 2.335 12.057 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.386 9.588 8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.679 9.622 7.027 1.00 0.00 H new ATOM 319 N GLN A 25 1.386 12.435 6.375 1.00 0.00 N ATOM 320 CA GLN A 25 0.573 12.868 5.245 1.00 0.00 C ATOM 321 C GLN A 25 0.810 11.976 4.031 1.00 0.00 C ATOM 322 O GLN A 25 1.910 11.943 3.478 1.00 0.00 O ATOM 323 CB GLN A 25 0.886 14.323 4.892 1.00 0.00 C ATOM 324 CG GLN A 25 -0.052 14.912 3.851 1.00 0.00 C ATOM 325 CD GLN A 25 0.267 16.359 3.530 1.00 0.00 C ATOM 326 OE1 GLN A 25 1.373 16.835 3.787 1.00 0.00 O ATOM 327 NE2 GLN A 25 -0.704 17.068 2.966 1.00 0.00 N ATOM 0 H GLN A 25 2.283 12.914 6.458 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.475 12.789 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.835 14.927 5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.910 14.387 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.007 14.320 2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.078 14.841 4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.606 16.633 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.548 18.048 2.728 1.00 0.00 H new ATOM 336 N ILE A 26 -0.228 11.254 3.621 1.00 0.00 N ATOM 337 CA ILE A 26 -0.132 10.363 2.472 1.00 0.00 C ATOM 338 C ILE A 26 0.359 11.109 1.237 1.00 0.00 C ATOM 339 O ILE A 26 -0.282 12.050 0.771 1.00 0.00 O ATOM 340 CB ILE A 26 -1.489 9.706 2.155 1.00 0.00 C ATOM 341 CG1 ILE A 26 -1.987 8.906 3.361 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.370 8.810 0.931 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.358 8.301 3.160 1.00 0.00 C ATOM 0 H ILE A 26 -1.145 11.269 4.068 1.00 0.00 H new ATOM 0 HA ILE A 26 0.587 9.587 2.734 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.214 10.490 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.275 8.109 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.011 9.558 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.337 8.353 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.055 9.405 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.633 8.029 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.647 7.749 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.082 9.094 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.335 7.623 2.307 1.00 0.00 H new ATOM 355 N GLY A 27 1.502 10.681 0.709 1.00 0.00 N ATOM 356 CA GLY A 27 2.060 11.318 -0.469 1.00 0.00 C ATOM 357 C GLY A 27 1.271 11.007 -1.726 1.00 0.00 C ATOM 358 O GLY A 27 0.049 10.856 -1.679 1.00 0.00 O ATOM 0 H GLY A 27 2.051 9.904 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.085 12.397 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.091 10.991 -0.601 1.00 0.00 H new ATOM 362 N LEU A 28 1.969 10.912 -2.852 1.00 0.00 N ATOM 363 CA LEU A 28 1.325 10.618 -4.128 1.00 0.00 C ATOM 364 C LEU A 28 1.793 9.274 -4.677 1.00 0.00 C ATOM 365 O LEU A 28 2.746 8.681 -4.170 1.00 0.00 O ATOM 366 CB LEU A 28 1.624 11.726 -5.139 1.00 0.00 C ATOM 367 CG LEU A 28 1.114 13.121 -4.776 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.602 14.148 -5.786 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.406 13.130 -4.697 1.00 0.00 C ATOM 0 H LEU A 28 2.980 11.034 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 28 0.249 10.567 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.704 11.781 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.192 11.441 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 28 1.511 13.388 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.229 15.135 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.692 14.161 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.235 13.885 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.751 14.131 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.822 12.842 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.735 12.424 -3.934 1.00 0.00 H new ATOM 381 N THR A 29 1.116 8.798 -5.717 1.00 0.00 N ATOM 382 CA THR A 29 1.462 7.524 -6.336 1.00 0.00 C ATOM 383 C THR A 29 2.585 7.694 -7.353 1.00 0.00 C ATOM 384 O THR A 29 3.012 8.813 -7.640 1.00 0.00 O ATOM 385 CB THR A 29 0.245 6.889 -7.033 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.232 7.754 -8.070 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.872 6.622 -6.035 1.00 0.00 C ATOM 0 H THR A 29 0.325 9.275 -6.149 1.00 0.00 H new ATOM 0 HA THR A 29 1.797 6.865 -5.536 1.00 0.00 H new ATOM 0 HB THR A 29 0.557 5.939 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.711 8.510 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.721 6.173 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.515 5.940 -5.263 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.181 7.561 -5.575 1.00 0.00 H new ATOM 395 N VAL A 30 3.059 6.578 -7.897 1.00 0.00 N ATOM 396 CA VAL A 30 4.131 6.604 -8.885 1.00 0.00 C ATOM 397 C VAL A 30 3.844 7.624 -9.981 1.00 0.00 C ATOM 398 O VAL A 30 4.749 8.309 -10.456 1.00 0.00 O ATOM 399 CB VAL A 30 4.335 5.219 -9.529 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.425 5.278 -10.588 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.667 4.182 -8.467 1.00 0.00 C ATOM 0 H VAL A 30 2.717 5.644 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 30 5.041 6.889 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 30 3.406 4.923 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.555 4.291 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.141 5.990 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.361 5.596 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.808 3.210 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.582 4.470 -7.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.849 4.122 -7.749 1.00 0.00 H new ATOM 411 N GLU A 31 2.578 7.720 -10.376 1.00 0.00 N ATOM 412 CA GLU A 31 2.173 8.657 -11.417 1.00 0.00 C ATOM 413 C GLU A 31 1.965 10.054 -10.840 1.00 0.00 C ATOM 414 O GLU A 31 2.512 11.034 -11.344 1.00 0.00 O ATOM 415 CB GLU A 31 0.887 8.177 -12.094 1.00 0.00 C ATOM 416 CG GLU A 31 1.118 7.110 -13.151 1.00 0.00 C ATOM 417 CD GLU A 31 1.836 7.647 -14.374 1.00 0.00 C ATOM 418 OE1 GLU A 31 3.034 7.983 -14.261 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.200 7.730 -15.446 1.00 0.00 O ATOM 0 H GLU A 31 1.816 7.161 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 31 2.970 8.703 -12.159 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.211 7.784 -11.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.388 9.030 -12.554 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.701 6.297 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.159 6.689 -13.453 1.00 0.00 H new ATOM 426 N GLY A 32 1.169 10.138 -9.778 1.00 0.00 N ATOM 427 CA GLY A 32 0.902 11.418 -9.150 1.00 0.00 C ATOM 428 C GLY A 32 -0.398 11.421 -8.370 1.00 0.00 C ATOM 429 O GLY A 32 -0.510 12.084 -7.338 1.00 0.00 O ATOM 0 H GLY A 32 0.704 9.342 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.725 11.669 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.865 12.194 -9.915 1.00 0.00 H new ATOM 433 N ASP A 33 -1.384 10.681 -8.864 1.00 0.00 N ATOM 434 CA ASP A 33 -2.684 10.602 -8.207 1.00 0.00 C ATOM 435 C ASP A 33 -2.526 10.244 -6.733 1.00 0.00 C ATOM 436 O ASP A 33 -1.498 9.706 -6.320 1.00 0.00 O ATOM 437 CB ASP A 33 -3.569 9.567 -8.904 1.00 0.00 C ATOM 438 CG ASP A 33 -3.793 9.889 -10.369 1.00 0.00 C ATOM 439 OD1 ASP A 33 -4.159 11.044 -10.673 1.00 0.00 O ATOM 440 OD2 ASP A 33 -3.603 8.987 -11.211 1.00 0.00 O ATOM 0 H ASP A 33 -1.308 10.127 -9.717 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.159 11.581 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.109 8.583 -8.818 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.532 9.515 -8.395 1.00 0.00 H new ATOM 445 N LEU A 34 -3.551 10.546 -5.943 1.00 0.00 N ATOM 446 CA LEU A 34 -3.527 10.257 -4.514 1.00 0.00 C ATOM 447 C LEU A 34 -3.477 8.753 -4.263 1.00 0.00 C ATOM 448 O LEU A 34 -4.266 7.993 -4.825 1.00 0.00 O ATOM 449 CB LEU A 34 -4.755 10.859 -3.830 1.00 0.00 C ATOM 450 CG LEU A 34 -4.682 10.988 -2.308 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.560 9.616 -1.662 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.514 11.875 -1.904 1.00 0.00 C ATOM 0 H LEU A 34 -4.409 10.991 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.628 10.707 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.931 11.849 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.622 10.248 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.604 11.452 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.509 9.727 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.428 9.012 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.655 9.125 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.477 11.956 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.583 11.439 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.643 12.867 -2.337 1.00 0.00 H new ATOM 464 N PHE A 35 -2.548 8.330 -3.413 1.00 0.00 N ATOM 465 CA PHE A 35 -2.396 6.917 -3.086 1.00 0.00 C ATOM 466 C PHE A 35 -3.610 6.404 -2.317 1.00 0.00 C ATOM 467 O PHE A 35 -3.671 6.504 -1.091 1.00 0.00 O ATOM 468 CB PHE A 35 -1.126 6.696 -2.262 1.00 0.00 C ATOM 469 CG PHE A 35 -0.867 5.253 -1.936 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.570 4.345 -2.940 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.919 4.804 -0.626 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.332 3.016 -2.643 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.681 3.477 -0.323 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.387 2.582 -1.332 1.00 0.00 C ATOM 0 H PHE A 35 -1.888 8.946 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.316 6.360 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.273 7.095 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.202 7.262 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.524 4.679 -3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.148 5.500 0.168 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.103 2.318 -3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.725 3.140 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.200 1.544 -1.097 1.00 0.00 H new ATOM 484 N VAL A 36 -4.576 5.854 -3.046 1.00 0.00 N ATOM 485 CA VAL A 36 -5.788 5.324 -2.434 1.00 0.00 C ATOM 486 C VAL A 36 -5.585 3.887 -1.965 1.00 0.00 C ATOM 487 O VAL A 36 -5.975 2.940 -2.647 1.00 0.00 O ATOM 488 CB VAL A 36 -6.977 5.370 -3.412 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.214 4.750 -2.779 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.252 6.801 -3.849 1.00 0.00 C ATOM 0 H VAL A 36 -4.542 5.764 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.010 5.956 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.720 4.787 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.044 4.792 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.009 3.711 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.477 5.303 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.095 6.815 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.488 7.409 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.370 7.206 -4.345 1.00 0.00 H new ATOM 500 N ALA A 37 -4.972 3.733 -0.796 1.00 0.00 N ATOM 501 CA ALA A 37 -4.719 2.412 -0.234 1.00 0.00 C ATOM 502 C ALA A 37 -5.973 1.546 -0.283 1.00 0.00 C ATOM 503 O ALA A 37 -5.988 0.492 -0.921 1.00 0.00 O ATOM 504 CB ALA A 37 -4.215 2.535 1.196 1.00 0.00 C ATOM 0 H ALA A 37 -4.641 4.507 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.951 1.928 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.030 1.541 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.289 3.110 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.964 3.043 1.803 1.00 0.00 H new ATOM 510 N CYS A 38 -7.024 1.995 0.395 1.00 0.00 N ATOM 511 CA CYS A 38 -8.282 1.260 0.430 1.00 0.00 C ATOM 512 C CYS A 38 -9.381 2.029 -0.297 1.00 0.00 C ATOM 513 O CYS A 38 -9.396 3.259 -0.298 1.00 0.00 O ATOM 514 CB CYS A 38 -8.702 0.995 1.878 1.00 0.00 C ATOM 515 SG CYS A 38 -10.212 -0.011 2.042 1.00 0.00 S ATOM 0 H CYS A 38 -7.029 2.865 0.928 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.132 0.307 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.885 0.492 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.858 1.950 2.380 1.00 0.00 H new ATOM 520 N ASN A 39 -10.300 1.293 -0.915 1.00 0.00 N ATOM 521 CA ASN A 39 -11.403 1.906 -1.647 1.00 0.00 C ATOM 522 C ASN A 39 -12.747 1.466 -1.074 1.00 0.00 C ATOM 523 O ASN A 39 -13.679 2.263 -0.969 1.00 0.00 O ATOM 524 CB ASN A 39 -11.324 1.539 -3.131 1.00 0.00 C ATOM 525 CG ASN A 39 -10.404 2.461 -3.906 1.00 0.00 C ATOM 526 OD1 ASN A 39 -9.331 2.054 -4.352 1.00 0.00 O ATOM 527 ND2 ASN A 39 -10.820 3.711 -4.070 1.00 0.00 N ATOM 0 H ASN A 39 -10.303 0.273 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.320 2.988 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.972 0.512 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.323 1.577 -3.566 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.243 4.377 -4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.717 4.005 -3.683 1.00 0.00 H new ATOM 534 N GLU A 40 -12.838 0.192 -0.704 1.00 0.00 N ATOM 535 CA GLU A 40 -14.068 -0.354 -0.142 1.00 0.00 C ATOM 536 C GLU A 40 -14.627 0.568 0.938 1.00 0.00 C ATOM 537 O GLU A 40 -15.728 1.104 0.804 1.00 0.00 O ATOM 538 CB GLU A 40 -13.815 -1.746 0.441 1.00 0.00 C ATOM 539 CG GLU A 40 -13.223 -2.725 -0.558 1.00 0.00 C ATOM 540 CD GLU A 40 -14.285 -3.467 -1.346 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.399 -2.923 -1.499 1.00 0.00 O ATOM 542 OE2 GLU A 40 -14.003 -4.592 -1.810 1.00 0.00 O ATOM 0 H GLU A 40 -12.075 -0.481 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.801 -0.433 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.141 -1.657 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.755 -2.149 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.574 -2.186 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.599 -3.445 -0.029 1.00 0.00 H new ATOM 549 N CYS A 41 -13.862 0.747 2.010 1.00 0.00 N ATOM 550 CA CYS A 41 -14.280 1.602 3.114 1.00 0.00 C ATOM 551 C CYS A 41 -13.740 3.019 2.940 1.00 0.00 C ATOM 552 O CYS A 41 -14.430 3.997 3.222 1.00 0.00 O ATOM 553 CB CYS A 41 -13.800 1.022 4.446 1.00 0.00 C ATOM 554 SG CYS A 41 -12.107 1.513 4.904 1.00 0.00 S ATOM 0 H CYS A 41 -12.949 0.311 2.137 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.369 1.645 3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.484 1.336 5.234 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.850 -0.066 4.396 1.00 0.00 H new ATOM 559 N GLY A 42 -12.498 3.120 2.473 1.00 0.00 N ATOM 560 CA GLY A 42 -11.886 4.420 2.270 1.00 0.00 C ATOM 561 C GLY A 42 -11.010 4.837 3.434 1.00 0.00 C ATOM 562 O GLY A 42 -11.080 5.975 3.897 1.00 0.00 O ATOM 0 H GLY A 42 -11.906 2.325 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.288 4.398 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.666 5.166 2.121 1.00 0.00 H new ATOM 566 N PHE A 43 -10.182 3.912 3.911 1.00 0.00 N ATOM 567 CA PHE A 43 -9.290 4.189 5.031 1.00 0.00 C ATOM 568 C PHE A 43 -7.979 4.799 4.544 1.00 0.00 C ATOM 569 O PHE A 43 -7.279 4.237 3.702 1.00 0.00 O ATOM 570 CB PHE A 43 -9.009 2.906 5.815 1.00 0.00 C ATOM 571 CG PHE A 43 -8.303 3.144 7.120 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.829 4.017 8.058 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.114 2.494 7.407 1.00 0.00 C ATOM 574 CE1 PHE A 43 -8.181 4.238 9.259 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.461 2.711 8.606 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.996 3.583 9.534 1.00 0.00 C ATOM 0 H PHE A 43 -10.111 2.965 3.539 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.782 4.907 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.952 2.394 6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.405 2.239 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.756 4.531 7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.692 1.810 6.686 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.601 4.922 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.534 2.199 8.817 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.489 3.752 10.473 1.00 0.00 H new ATOM 586 N PRO A 44 -7.639 5.978 5.085 1.00 0.00 N ATOM 587 CA PRO A 44 -6.410 6.691 4.721 1.00 0.00 C ATOM 588 C PRO A 44 -5.158 5.985 5.230 1.00 0.00 C ATOM 589 O PRO A 44 -4.810 6.088 6.406 1.00 0.00 O ATOM 590 CB PRO A 44 -6.573 8.050 5.406 1.00 0.00 C ATOM 591 CG PRO A 44 -7.490 7.790 6.552 1.00 0.00 C ATOM 592 CD PRO A 44 -8.426 6.706 6.094 1.00 0.00 C ATOM 0 HA PRO A 44 -6.281 6.755 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.614 8.439 5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.992 8.789 4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.933 7.477 7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.040 8.691 6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.722 6.056 6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.341 7.119 5.669 1.00 0.00 H new ATOM 600 N ALA A 45 -4.485 5.268 4.336 1.00 0.00 N ATOM 601 CA ALA A 45 -3.270 4.547 4.694 1.00 0.00 C ATOM 602 C ALA A 45 -2.135 4.868 3.727 1.00 0.00 C ATOM 603 O ALA A 45 -2.208 4.549 2.540 1.00 0.00 O ATOM 604 CB ALA A 45 -3.534 3.048 4.721 1.00 0.00 C ATOM 0 H ALA A 45 -4.761 5.171 3.359 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.966 4.870 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.618 2.522 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.308 2.828 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.866 2.719 3.736 1.00 0.00 H new ATOM 610 N CYS A 46 -1.087 5.503 4.242 1.00 0.00 N ATOM 611 CA CYS A 46 0.063 5.869 3.425 1.00 0.00 C ATOM 612 C CYS A 46 0.651 4.643 2.732 1.00 0.00 C ATOM 613 O CYS A 46 0.129 3.536 2.860 1.00 0.00 O ATOM 614 CB CYS A 46 1.132 6.545 4.286 1.00 0.00 C ATOM 615 SG CYS A 46 1.712 5.530 5.683 1.00 0.00 S ATOM 0 H CYS A 46 -1.011 5.775 5.222 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.274 6.569 2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.985 6.798 3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.732 7.482 4.673 1.00 0.00 H new ATOM 620 N ARG A 47 1.740 4.850 1.999 1.00 0.00 N ATOM 621 CA ARG A 47 2.399 3.763 1.286 1.00 0.00 C ATOM 622 C ARG A 47 3.018 2.768 2.263 1.00 0.00 C ATOM 623 O ARG A 47 2.781 1.562 2.194 1.00 0.00 O ATOM 624 CB ARG A 47 3.477 4.316 0.353 1.00 0.00 C ATOM 625 CG ARG A 47 3.620 3.535 -0.943 1.00 0.00 C ATOM 626 CD ARG A 47 4.080 4.429 -2.084 1.00 0.00 C ATOM 627 NE ARG A 47 5.178 5.306 -1.684 1.00 0.00 N ATOM 628 CZ ARG A 47 5.830 6.098 -2.528 1.00 0.00 C ATOM 629 NH1 ARG A 47 5.497 6.123 -3.811 1.00 0.00 N ATOM 630 NH2 ARG A 47 6.818 6.867 -2.088 1.00 0.00 N ATOM 0 H ARG A 47 2.184 5.761 1.883 1.00 0.00 H new ATOM 0 HA ARG A 47 1.647 3.243 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.244 5.354 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.434 4.315 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.335 2.724 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.665 3.077 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.397 3.811 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.242 5.033 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 47 5.459 5.310 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.738 5.533 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.000 6.732 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.077 6.850 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.318 7.475 -2.736 1.00 0.00 H new ATOM 644 N PRO A 48 3.832 3.283 3.197 1.00 0.00 N ATOM 645 CA PRO A 48 4.502 2.458 4.206 1.00 0.00 C ATOM 646 C PRO A 48 3.527 1.889 5.231 1.00 0.00 C ATOM 647 O PRO A 48 3.935 1.358 6.264 1.00 0.00 O ATOM 648 CB PRO A 48 5.472 3.435 4.876 1.00 0.00 C ATOM 649 CG PRO A 48 4.862 4.778 4.667 1.00 0.00 C ATOM 650 CD PRO A 48 4.160 4.712 3.339 1.00 0.00 C ATOM 0 HA PRO A 48 4.988 1.589 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.587 3.213 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.464 3.377 4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.162 5.017 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.624 5.557 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.264 5.333 3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.800 5.060 2.528 1.00 0.00 H new ATOM 658 N CYS A 49 2.235 2.004 4.939 1.00 0.00 N ATOM 659 CA CYS A 49 1.201 1.502 5.834 1.00 0.00 C ATOM 660 C CYS A 49 0.396 0.390 5.167 1.00 0.00 C ATOM 661 O CYS A 49 0.042 -0.602 5.804 1.00 0.00 O ATOM 662 CB CYS A 49 0.267 2.638 6.258 1.00 0.00 C ATOM 663 SG CYS A 49 0.712 3.412 7.845 1.00 0.00 S ATOM 0 H CYS A 49 1.880 2.441 4.088 1.00 0.00 H new ATOM 0 HA CYS A 49 1.690 1.093 6.718 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.266 3.402 5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.750 2.252 6.327 1.00 0.00 H new ATOM 668 N TYR A 50 0.113 0.563 3.881 1.00 0.00 N ATOM 669 CA TYR A 50 -0.651 -0.424 3.127 1.00 0.00 C ATOM 670 C TYR A 50 0.238 -1.585 2.693 1.00 0.00 C ATOM 671 O TYR A 50 -0.048 -2.744 2.991 1.00 0.00 O ATOM 672 CB TYR A 50 -1.294 0.226 1.901 1.00 0.00 C ATOM 673 CG TYR A 50 -1.854 -0.770 0.911 1.00 0.00 C ATOM 674 CD1 TYR A 50 -1.016 -1.485 0.065 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.223 -0.997 0.823 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.524 -2.396 -0.842 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.739 -1.907 -0.080 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.886 -2.603 -0.910 1.00 0.00 C ATOM 679 OH TYR A 50 -3.395 -3.510 -1.810 1.00 0.00 O ATOM 0 H TYR A 50 0.401 1.377 3.339 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.435 -0.813 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.095 0.888 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.552 0.847 1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.051 -1.326 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.894 -0.453 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.858 -2.943 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.805 -2.072 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.706 -3.739 -2.469 1.00 0.00 H new ATOM 689 N GLU A 51 1.318 -1.264 1.987 1.00 0.00 N ATOM 690 CA GLU A 51 2.249 -2.281 1.512 1.00 0.00 C ATOM 691 C GLU A 51 2.662 -3.214 2.647 1.00 0.00 C ATOM 692 O GLU A 51 2.592 -4.436 2.517 1.00 0.00 O ATOM 693 CB GLU A 51 3.488 -1.623 0.901 1.00 0.00 C ATOM 694 CG GLU A 51 3.267 -1.100 -0.508 1.00 0.00 C ATOM 695 CD GLU A 51 2.006 -0.266 -0.630 1.00 0.00 C ATOM 696 OE1 GLU A 51 1.777 0.595 0.245 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.249 -0.474 -1.601 1.00 0.00 O ATOM 0 H GLU A 51 1.569 -0.309 1.732 1.00 0.00 H new ATOM 0 HA GLU A 51 1.744 -2.870 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.804 -0.798 1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.304 -2.346 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.126 -0.499 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.210 -1.941 -1.199 1.00 0.00 H new ATOM 704 N TYR A 52 3.093 -2.628 3.759 1.00 0.00 N ATOM 705 CA TYR A 52 3.520 -3.406 4.916 1.00 0.00 C ATOM 706 C TYR A 52 2.442 -4.401 5.331 1.00 0.00 C ATOM 707 O TYR A 52 2.739 -5.541 5.686 1.00 0.00 O ATOM 708 CB TYR A 52 3.852 -2.478 6.086 1.00 0.00 C ATOM 709 CG TYR A 52 3.641 -3.114 7.441 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.580 -3.988 7.974 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.503 -2.839 8.189 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.391 -4.571 9.212 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.306 -3.417 9.429 1.00 0.00 C ATOM 714 CZ TYR A 52 3.253 -4.283 9.935 1.00 0.00 C ATOM 715 OH TYR A 52 3.061 -4.861 11.169 1.00 0.00 O ATOM 0 H TYR A 52 3.156 -1.618 3.883 1.00 0.00 H new ATOM 0 HA TYR A 52 4.415 -3.963 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.891 -2.158 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.236 -1.582 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.473 -4.216 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.760 -2.162 7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.131 -5.249 9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.416 -3.192 9.998 1.00 0.00 H new ATOM 0 HH TYR A 52 2.211 -4.552 11.546 1.00 0.00 H new ATOM 725 N GLU A 53 1.188 -3.961 5.283 1.00 0.00 N ATOM 726 CA GLU A 53 0.065 -4.813 5.655 1.00 0.00 C ATOM 727 C GLU A 53 0.122 -6.144 4.910 1.00 0.00 C ATOM 728 O GLU A 53 -0.288 -7.179 5.436 1.00 0.00 O ATOM 729 CB GLU A 53 -1.259 -4.107 5.359 1.00 0.00 C ATOM 730 CG GLU A 53 -2.472 -4.825 5.926 1.00 0.00 C ATOM 731 CD GLU A 53 -2.701 -4.515 7.393 1.00 0.00 C ATOM 732 OE1 GLU A 53 -3.202 -3.412 7.695 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.380 -5.377 8.238 1.00 0.00 O ATOM 0 H GLU A 53 0.925 -3.020 4.990 1.00 0.00 H new ATOM 0 HA GLU A 53 0.131 -5.012 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.222 -3.097 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.376 -4.010 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.357 -4.541 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.344 -5.900 5.801 1.00 0.00 H new ATOM 740 N ARG A 54 0.632 -6.107 3.684 1.00 0.00 N ATOM 741 CA ARG A 54 0.741 -7.309 2.866 1.00 0.00 C ATOM 742 C ARG A 54 2.027 -8.067 3.181 1.00 0.00 C ATOM 743 O ARG A 54 2.062 -9.296 3.137 1.00 0.00 O ATOM 744 CB ARG A 54 0.702 -6.946 1.380 1.00 0.00 C ATOM 745 CG ARG A 54 -0.693 -6.994 0.778 1.00 0.00 C ATOM 746 CD ARG A 54 -0.822 -6.048 -0.406 1.00 0.00 C ATOM 747 NE ARG A 54 0.156 -6.342 -1.450 1.00 0.00 N ATOM 748 CZ ARG A 54 0.003 -7.307 -2.350 1.00 0.00 C ATOM 749 NH1 ARG A 54 -1.084 -8.067 -2.334 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.937 -7.513 -3.269 1.00 0.00 N ATOM 0 H ARG A 54 0.976 -5.258 3.235 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.107 -7.954 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.111 -5.944 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.349 -7.629 0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.918 -8.012 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.428 -6.729 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.828 -6.121 -0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.691 -5.021 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 54 1.003 -5.775 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.805 -7.911 -1.629 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.199 -8.807 -3.026 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.774 -6.930 -3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.818 -8.254 -3.959 1.00 0.00 H new ATOM 764 N ARG A 55 3.083 -7.324 3.498 1.00 0.00 N ATOM 765 CA ARG A 55 4.372 -7.925 3.819 1.00 0.00 C ATOM 766 C ARG A 55 4.281 -8.757 5.095 1.00 0.00 C ATOM 767 O ARG A 55 4.408 -9.980 5.059 1.00 0.00 O ATOM 768 CB ARG A 55 5.439 -6.841 3.979 1.00 0.00 C ATOM 769 CG ARG A 55 6.860 -7.356 3.821 1.00 0.00 C ATOM 770 CD ARG A 55 7.343 -8.053 5.083 1.00 0.00 C ATOM 771 NE ARG A 55 8.718 -8.528 4.953 1.00 0.00 N ATOM 772 CZ ARG A 55 9.077 -9.534 4.164 1.00 0.00 C ATOM 773 NH1 ARG A 55 8.167 -10.168 3.437 1.00 0.00 N ATOM 774 NH2 ARG A 55 10.348 -9.908 4.100 1.00 0.00 N ATOM 0 H ARG A 55 3.071 -6.305 3.539 1.00 0.00 H new ATOM 0 HA ARG A 55 4.653 -8.582 2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.262 -6.057 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.335 -6.383 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.906 -8.049 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.525 -6.525 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.275 -7.365 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.688 -8.895 5.305 1.00 0.00 H new ATOM 0 HE ARG A 55 9.443 -8.061 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.189 -9.883 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.445 -10.940 2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.051 -9.423 4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.622 -10.681 3.494 1.00 0.00 H new ATOM 788 N GLU A 56 4.062 -8.083 6.220 1.00 0.00 N ATOM 789 CA GLU A 56 3.956 -8.761 7.507 1.00 0.00 C ATOM 790 C GLU A 56 2.512 -8.770 8.000 1.00 0.00 C ATOM 791 O GLU A 56 2.073 -9.714 8.655 1.00 0.00 O ATOM 792 CB GLU A 56 4.855 -8.082 8.541 1.00 0.00 C ATOM 793 CG GLU A 56 6.319 -8.471 8.424 1.00 0.00 C ATOM 794 CD GLU A 56 6.616 -9.822 9.047 1.00 0.00 C ATOM 795 OE1 GLU A 56 6.079 -10.101 10.139 1.00 0.00 O ATOM 796 OE2 GLU A 56 7.384 -10.598 8.443 1.00 0.00 O ATOM 0 H GLU A 56 3.955 -7.070 6.266 1.00 0.00 H new ATOM 0 HA GLU A 56 4.282 -9.792 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.765 -7.001 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.500 -8.334 9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.603 -8.490 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.933 -7.710 8.906 1.00 0.00 H new ATOM 803 N GLY A 57 1.777 -7.709 7.680 1.00 0.00 N ATOM 804 CA GLY A 57 0.390 -7.613 8.098 1.00 0.00 C ATOM 805 C GLY A 57 -0.428 -8.815 7.671 1.00 0.00 C ATOM 806 O GLY A 57 0.122 -9.844 7.280 1.00 0.00 O ATOM 0 H GLY A 57 2.117 -6.914 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.347 -7.514 9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.051 -6.709 7.678 1.00 0.00 H new ATOM 810 N THR A 58 -1.750 -8.686 7.747 1.00 0.00 N ATOM 811 CA THR A 58 -2.646 -9.771 7.369 1.00 0.00 C ATOM 812 C THR A 58 -3.382 -9.449 6.073 1.00 0.00 C ATOM 813 O THR A 58 -4.502 -9.910 5.854 1.00 0.00 O ATOM 814 CB THR A 58 -3.679 -10.058 8.474 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.499 -8.905 8.690 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.988 -10.445 9.773 1.00 0.00 C ATOM 0 H THR A 58 -2.223 -7.841 8.067 1.00 0.00 H new ATOM 0 HA THR A 58 -2.027 -10.656 7.223 1.00 0.00 H new ATOM 0 HB THR A 58 -4.303 -10.891 8.150 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.154 -9.097 9.393 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.738 -10.643 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.387 -11.340 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.343 -9.629 10.099 1.00 0.00 H new ATOM 824 N GLN A 59 -2.744 -8.657 5.217 1.00 0.00 N ATOM 825 CA GLN A 59 -3.340 -8.274 3.942 1.00 0.00 C ATOM 826 C GLN A 59 -4.815 -7.924 4.113 1.00 0.00 C ATOM 827 O GLN A 59 -5.637 -8.219 3.247 1.00 0.00 O ATOM 828 CB GLN A 59 -3.187 -9.406 2.924 1.00 0.00 C ATOM 829 CG GLN A 59 -1.747 -9.848 2.718 1.00 0.00 C ATOM 830 CD GLN A 59 -1.642 -11.267 2.196 1.00 0.00 C ATOM 831 OE1 GLN A 59 -1.369 -12.200 2.951 1.00 0.00 O ATOM 832 NE2 GLN A 59 -1.859 -11.439 0.897 1.00 0.00 N ATOM 0 H GLN A 59 -1.816 -8.268 5.383 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.817 -7.391 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.777 -10.261 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.599 -9.082 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.259 -9.170 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.209 -9.772 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.083 -10.638 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.802 -12.372 0.490 1.00 0.00 H new ATOM 841 N ASN A 60 -5.141 -7.295 5.237 1.00 0.00 N ATOM 842 CA ASN A 60 -6.518 -6.905 5.523 1.00 0.00 C ATOM 843 C ASN A 60 -6.577 -5.488 6.085 1.00 0.00 C ATOM 844 O ASN A 60 -5.873 -5.157 7.040 1.00 0.00 O ATOM 845 CB ASN A 60 -7.152 -7.885 6.511 1.00 0.00 C ATOM 846 CG ASN A 60 -7.101 -9.318 6.018 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.215 -9.579 4.820 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.930 -10.256 6.943 1.00 0.00 N ATOM 0 H ASN A 60 -4.472 -7.044 5.965 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.078 -6.929 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.637 -7.815 7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.190 -7.600 6.685 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.889 -11.238 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.840 -9.994 7.925 1.00 0.00 H new ATOM 855 N CYS A 61 -7.421 -4.655 5.487 1.00 0.00 N ATOM 856 CA CYS A 61 -7.574 -3.273 5.927 1.00 0.00 C ATOM 857 C CYS A 61 -7.904 -3.210 7.416 1.00 0.00 C ATOM 858 O CYS A 61 -8.778 -3.920 7.914 1.00 0.00 O ATOM 859 CB CYS A 61 -8.671 -2.577 5.120 1.00 0.00 C ATOM 860 SG CYS A 61 -8.932 -0.832 5.571 1.00 0.00 S ATOM 0 H CYS A 61 -8.010 -4.913 4.695 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.628 -2.758 5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.420 -2.634 4.061 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.606 -3.120 5.255 1.00 0.00 H new ATOM 865 N PRO A 62 -7.189 -2.339 8.144 1.00 0.00 N ATOM 866 CA PRO A 62 -7.389 -2.161 9.585 1.00 0.00 C ATOM 867 C PRO A 62 -8.719 -1.489 9.907 1.00 0.00 C ATOM 868 O PRO A 62 -9.017 -1.207 11.068 1.00 0.00 O ATOM 869 CB PRO A 62 -6.221 -1.260 9.996 1.00 0.00 C ATOM 870 CG PRO A 62 -5.861 -0.518 8.755 1.00 0.00 C ATOM 871 CD PRO A 62 -6.132 -1.460 7.615 1.00 0.00 C ATOM 0 HA PRO A 62 -7.417 -3.114 10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.509 -0.578 10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.379 -1.846 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.454 0.392 8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.814 -0.216 8.771 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.461 -0.927 6.723 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.241 -2.024 7.339 1.00 0.00 H new ATOM 879 N GLN A 63 -9.515 -1.236 8.873 1.00 0.00 N ATOM 880 CA GLN A 63 -10.814 -0.596 9.048 1.00 0.00 C ATOM 881 C GLN A 63 -11.940 -1.521 8.598 1.00 0.00 C ATOM 882 O GLN A 63 -12.952 -1.663 9.285 1.00 0.00 O ATOM 883 CB GLN A 63 -10.870 0.715 8.263 1.00 0.00 C ATOM 884 CG GLN A 63 -12.259 1.330 8.205 1.00 0.00 C ATOM 885 CD GLN A 63 -12.224 2.842 8.094 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.505 3.514 8.834 1.00 0.00 O ATOM 887 NE2 GLN A 63 -13.002 3.386 7.166 1.00 0.00 N ATOM 0 H GLN A 63 -9.284 -1.464 7.906 1.00 0.00 H new ATOM 0 HA GLN A 63 -10.946 -0.381 10.108 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.184 1.430 8.717 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.518 0.536 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.799 0.919 7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.815 1.048 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.582 2.791 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.020 4.399 7.045 1.00 0.00 H new ATOM 896 N CYS A 64 -11.759 -2.147 7.440 1.00 0.00 N ATOM 897 CA CYS A 64 -12.759 -3.057 6.897 1.00 0.00 C ATOM 898 C CYS A 64 -12.194 -4.468 6.761 1.00 0.00 C ATOM 899 O CYS A 64 -12.938 -5.432 6.579 1.00 0.00 O ATOM 900 CB CYS A 64 -13.249 -2.558 5.537 1.00 0.00 C ATOM 901 SG CYS A 64 -11.933 -2.397 4.287 1.00 0.00 S ATOM 0 H CYS A 64 -10.927 -2.040 6.859 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.600 -3.087 7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.009 -3.243 5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.731 -1.589 5.669 1.00 0.00 H new ATOM 906 N LYS A 65 -10.873 -4.581 6.849 1.00 0.00 N ATOM 907 CA LYS A 65 -10.206 -5.873 6.737 1.00 0.00 C ATOM 908 C LYS A 65 -10.639 -6.600 5.468 1.00 0.00 C ATOM 909 O LYS A 65 -11.062 -7.756 5.515 1.00 0.00 O ATOM 910 CB LYS A 65 -10.513 -6.736 7.962 1.00 0.00 C ATOM 911 CG LYS A 65 -9.923 -6.194 9.252 1.00 0.00 C ATOM 912 CD LYS A 65 -10.791 -5.096 9.844 1.00 0.00 C ATOM 913 CE LYS A 65 -10.110 -4.423 11.026 1.00 0.00 C ATOM 914 NZ LYS A 65 -9.958 -5.352 12.181 1.00 0.00 N ATOM 0 H LYS A 65 -10.243 -3.793 6.998 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.132 -5.696 6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.594 -6.821 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.130 -7.742 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.817 -7.004 9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.923 -5.805 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.011 -4.352 9.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.744 -5.517 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.129 -4.059 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.691 -3.553 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.536 -4.842 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.891 -5.719 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.340 -6.144 11.911 1.00 0.00 H new ATOM 928 N THR A 66 -10.530 -5.917 4.333 1.00 0.00 N ATOM 929 CA THR A 66 -10.910 -6.498 3.051 1.00 0.00 C ATOM 930 C THR A 66 -9.687 -6.998 2.290 1.00 0.00 C ATOM 931 O THR A 66 -8.587 -6.469 2.449 1.00 0.00 O ATOM 932 CB THR A 66 -11.666 -5.482 2.175 1.00 0.00 C ATOM 933 OG1 THR A 66 -12.675 -4.823 2.949 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.306 -6.169 0.979 1.00 0.00 C ATOM 0 H THR A 66 -10.181 -4.960 4.275 1.00 0.00 H new ATOM 0 HA THR A 66 -11.568 -7.339 3.268 1.00 0.00 H new ATOM 0 HB THR A 66 -10.949 -4.746 1.810 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.454 -3.872 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.834 -5.431 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.533 -6.645 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.011 -6.924 1.327 1.00 0.00 H new ATOM 942 N ARG A 67 -9.887 -8.018 1.462 1.00 0.00 N ATOM 943 CA ARG A 67 -8.800 -8.588 0.676 1.00 0.00 C ATOM 944 C ARG A 67 -8.051 -7.499 -0.086 1.00 0.00 C ATOM 945 O ARG A 67 -8.651 -6.719 -0.825 1.00 0.00 O ATOM 946 CB ARG A 67 -9.343 -9.630 -0.304 1.00 0.00 C ATOM 947 CG ARG A 67 -10.459 -9.107 -1.193 1.00 0.00 C ATOM 948 CD ARG A 67 -10.766 -10.072 -2.327 1.00 0.00 C ATOM 949 NE ARG A 67 -11.604 -9.460 -3.355 1.00 0.00 N ATOM 950 CZ ARG A 67 -12.344 -10.156 -4.211 1.00 0.00 C ATOM 951 NH1 ARG A 67 -12.350 -11.481 -4.162 1.00 0.00 N ATOM 952 NH2 ARG A 67 -13.080 -9.527 -5.118 1.00 0.00 N ATOM 0 H ARG A 67 -10.792 -8.466 1.318 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.104 -9.072 1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.526 -9.986 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.710 -10.489 0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.357 -8.948 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.174 -8.139 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.833 -10.413 -2.776 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.268 -10.953 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.622 -8.442 -3.419 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.786 -11.968 -3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.919 -12.013 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.078 -8.508 -5.159 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.648 -10.063 -5.775 1.00 0.00 H new ATOM 966 N TYR A 68 -6.736 -7.453 0.099 1.00 0.00 N ATOM 967 CA TYR A 68 -5.905 -6.458 -0.569 1.00 0.00 C ATOM 968 C TYR A 68 -5.666 -6.838 -2.027 1.00 0.00 C ATOM 969 O TYR A 68 -6.096 -7.898 -2.484 1.00 0.00 O ATOM 970 CB TYR A 68 -4.567 -6.311 0.157 1.00 0.00 C ATOM 971 CG TYR A 68 -4.559 -5.211 1.195 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.658 -4.997 2.017 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.453 -4.384 1.352 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.656 -3.993 2.966 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.442 -3.379 2.299 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.546 -3.187 3.103 1.00 0.00 C ATOM 977 OH TYR A 68 -4.539 -2.185 4.047 1.00 0.00 O ATOM 0 H TYR A 68 -6.223 -8.093 0.706 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.432 -5.504 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.319 -7.256 0.640 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.785 -6.113 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.529 -5.626 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.588 -4.530 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.519 -3.840 3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.573 -2.747 2.409 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.682 -1.711 4.014 1.00 0.00 H new ATOM 987 N LYS A 69 -4.975 -5.966 -2.753 1.00 0.00 N ATOM 988 CA LYS A 69 -4.675 -6.208 -4.159 1.00 0.00 C ATOM 989 C LYS A 69 -3.329 -5.601 -4.541 1.00 0.00 C ATOM 990 O LYS A 69 -2.928 -4.568 -4.003 1.00 0.00 O ATOM 991 CB LYS A 69 -5.778 -5.624 -5.045 1.00 0.00 C ATOM 992 CG LYS A 69 -5.793 -4.106 -5.079 1.00 0.00 C ATOM 993 CD LYS A 69 -6.574 -3.530 -3.910 1.00 0.00 C ATOM 994 CE LYS A 69 -7.241 -2.214 -4.280 1.00 0.00 C ATOM 995 NZ LYS A 69 -6.338 -1.052 -4.056 1.00 0.00 N ATOM 0 H LYS A 69 -4.612 -5.084 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.625 -7.286 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.654 -6.000 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.745 -5.980 -4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.770 -3.730 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.235 -3.766 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.331 -4.245 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.904 -3.374 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.544 -2.242 -5.327 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.148 -2.088 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.854 -0.304 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.519 -1.353 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.009 -0.686 -4.972 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.635 -6.248 -5.471 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.334 -5.772 -5.924 1.00 0.00 C ATOM 1011 C ARG A 70 -1.439 -4.359 -6.490 1.00 0.00 C ATOM 1012 O ARG A 70 -2.052 -4.142 -7.537 1.00 0.00 O ATOM 1013 CB ARG A 70 -0.761 -6.716 -6.983 1.00 0.00 C ATOM 1014 CG ARG A 70 0.756 -6.799 -6.969 1.00 0.00 C ATOM 1015 CD ARG A 70 1.248 -8.111 -7.558 1.00 0.00 C ATOM 1016 NE ARG A 70 1.427 -8.029 -9.005 1.00 0.00 N ATOM 1017 CZ ARG A 70 1.447 -9.089 -9.805 1.00 0.00 C ATOM 1018 NH1 ARG A 70 1.300 -10.307 -9.301 1.00 0.00 N ATOM 1019 NH2 ARG A 70 1.615 -8.933 -11.112 1.00 0.00 N ATOM 0 H ARG A 70 -2.952 -7.104 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.664 -5.752 -5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.172 -7.714 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.089 -6.385 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.172 -5.966 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.117 -6.700 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.194 -8.386 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.536 -8.902 -7.325 1.00 0.00 H new ATOM 0 HE ARG A 70 1.543 -7.107 -9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.171 -10.431 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.316 -11.119 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.729 -7.998 -11.504 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.630 -9.748 -11.725 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.839 -3.401 -5.793 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.865 -2.008 -6.225 1.00 0.00 C ATOM 1035 C LEU A 71 0.409 -1.650 -6.984 1.00 0.00 C ATOM 1036 O LEU A 71 1.270 -2.500 -7.208 1.00 0.00 O ATOM 1037 CB LEU A 71 -1.031 -1.082 -5.019 1.00 0.00 C ATOM 1038 CG LEU A 71 -2.362 -1.185 -4.273 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.383 -0.234 -3.086 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.524 -0.894 -5.212 1.00 0.00 C ATOM 0 H LEU A 71 -0.328 -3.563 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.715 -1.877 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.225 -1.288 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.905 -0.053 -5.356 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.469 -2.203 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.338 -0.321 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.574 -0.488 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.253 0.790 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.463 -0.972 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.422 0.113 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.520 -1.615 -6.030 1.00 0.00 H new ATOM 1052 N ARG A 72 0.522 -0.385 -7.376 1.00 0.00 N ATOM 1053 CA ARG A 72 1.690 0.087 -8.109 1.00 0.00 C ATOM 1054 C ARG A 72 2.969 -0.166 -7.314 1.00 0.00 C ATOM 1055 O ARG A 72 3.920 -0.758 -7.821 1.00 0.00 O ATOM 1056 CB ARG A 72 1.557 1.579 -8.419 1.00 0.00 C ATOM 1057 CG ARG A 72 0.392 1.907 -9.340 1.00 0.00 C ATOM 1058 CD ARG A 72 0.769 1.725 -10.802 1.00 0.00 C ATOM 1059 NE ARG A 72 -0.407 1.640 -11.663 1.00 0.00 N ATOM 1060 CZ ARG A 72 -1.110 0.527 -11.840 1.00 0.00 C ATOM 1061 NH1 ARG A 72 -0.757 -0.589 -11.218 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -2.168 0.530 -12.641 1.00 0.00 N ATOM 0 H ARG A 72 -0.182 0.332 -7.198 1.00 0.00 H new ATOM 0 HA ARG A 72 1.748 -0.467 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.436 2.127 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.482 1.930 -8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.455 1.265 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.072 2.935 -9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.393 2.559 -11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.366 0.820 -10.913 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.705 2.482 -12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.056 -0.594 -10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.298 -1.443 -11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.442 1.387 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.707 -0.325 -12.777 1.00 0.00 H new ATOM 1076 N GLY A 73 2.982 0.290 -6.065 1.00 0.00 N ATOM 1077 CA GLY A 73 4.148 0.105 -5.221 1.00 0.00 C ATOM 1078 C GLY A 73 3.938 -0.966 -4.169 1.00 0.00 C ATOM 1079 O GLY A 73 3.945 -0.680 -2.972 1.00 0.00 O ATOM 0 H GLY A 73 2.207 0.784 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.003 -0.162 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.392 1.048 -4.732 1.00 0.00 H new ATOM 1083 N SER A 74 3.749 -2.204 -4.616 1.00 0.00 N ATOM 1084 CA SER A 74 3.530 -3.321 -3.704 1.00 0.00 C ATOM 1085 C SER A 74 3.872 -4.646 -4.377 1.00 0.00 C ATOM 1086 O SER A 74 3.221 -5.074 -5.330 1.00 0.00 O ATOM 1087 CB SER A 74 2.077 -3.339 -3.226 1.00 0.00 C ATOM 1088 OG SER A 74 1.973 -3.909 -1.933 1.00 0.00 O ATOM 0 H SER A 74 3.743 -2.459 -5.604 1.00 0.00 H new ATOM 0 HA SER A 74 4.186 -3.190 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.683 -2.323 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.467 -3.908 -3.928 1.00 0.00 H new ATOM 0 HG SER A 74 1.069 -3.764 -1.584 1.00 0.00 H new ATOM 1094 N PRO A 75 4.920 -5.313 -3.871 1.00 0.00 N ATOM 1095 CA PRO A 75 5.374 -6.600 -4.406 1.00 0.00 C ATOM 1096 C PRO A 75 4.391 -7.728 -4.115 1.00 0.00 C ATOM 1097 O PRO A 75 3.673 -7.696 -3.115 1.00 0.00 O ATOM 1098 CB PRO A 75 6.697 -6.841 -3.676 1.00 0.00 C ATOM 1099 CG PRO A 75 6.576 -6.070 -2.407 1.00 0.00 C ATOM 1100 CD PRO A 75 5.743 -4.862 -2.736 1.00 0.00 C ATOM 0 HA PRO A 75 5.469 -6.579 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.854 -7.902 -3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.545 -6.497 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.104 -6.670 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.557 -5.778 -2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.127 -4.556 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.364 -4.007 -3.004 1.00 0.00 H new ATOM 1108 N ARG A 76 4.362 -8.724 -4.994 1.00 0.00 N ATOM 1109 CA ARG A 76 3.466 -9.862 -4.831 1.00 0.00 C ATOM 1110 C ARG A 76 3.709 -10.558 -3.495 1.00 0.00 C ATOM 1111 O ARG A 76 4.843 -10.644 -3.025 1.00 0.00 O ATOM 1112 CB ARG A 76 3.656 -10.857 -5.978 1.00 0.00 C ATOM 1113 CG ARG A 76 2.854 -12.137 -5.813 1.00 0.00 C ATOM 1114 CD ARG A 76 3.576 -13.329 -6.421 1.00 0.00 C ATOM 1115 NE ARG A 76 3.053 -14.598 -5.924 1.00 0.00 N ATOM 1116 CZ ARG A 76 3.741 -15.734 -5.941 1.00 0.00 C ATOM 1117 NH1 ARG A 76 4.974 -15.759 -6.428 1.00 0.00 N ATOM 1118 NH2 ARG A 76 3.196 -16.849 -5.470 1.00 0.00 N ATOM 0 H ARG A 76 4.949 -8.766 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 76 2.441 -9.491 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.371 -10.378 -6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.714 -11.109 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.674 -12.321 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.879 -12.020 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.478 -13.297 -7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.640 -13.262 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 76 2.107 -14.613 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.396 -14.904 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.500 -16.633 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.248 -16.834 -5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.725 -17.721 -5.484 1.00 0.00 H new ATOM 1132 N VAL A 77 2.635 -11.053 -2.888 1.00 0.00 N ATOM 1133 CA VAL A 77 2.731 -11.742 -1.606 1.00 0.00 C ATOM 1134 C VAL A 77 1.810 -12.956 -1.565 1.00 0.00 C ATOM 1135 O VAL A 77 1.088 -13.233 -2.523 1.00 0.00 O ATOM 1136 CB VAL A 77 2.377 -10.803 -0.437 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.378 -9.661 -0.348 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.961 -10.271 -0.591 1.00 0.00 C ATOM 0 H VAL A 77 1.689 -10.990 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 77 3.765 -12.070 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 77 2.427 -11.372 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.112 -9.008 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.377 -10.065 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.363 -9.091 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.728 -9.610 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.880 -9.717 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.258 -11.104 -0.601 1.00 0.00 H new ATOM 1148 N GLU A 78 1.840 -13.677 -0.449 1.00 0.00 N ATOM 1149 CA GLU A 78 1.008 -14.863 -0.283 1.00 0.00 C ATOM 1150 C GLU A 78 -0.466 -14.527 -0.495 1.00 0.00 C ATOM 1151 O GLU A 78 -1.148 -14.072 0.421 1.00 0.00 O ATOM 1152 CB GLU A 78 1.210 -15.465 1.109 1.00 0.00 C ATOM 1153 CG GLU A 78 2.579 -16.093 1.308 1.00 0.00 C ATOM 1154 CD GLU A 78 2.791 -16.593 2.724 1.00 0.00 C ATOM 1155 OE1 GLU A 78 2.741 -15.767 3.659 1.00 0.00 O ATOM 1156 OE2 GLU A 78 3.007 -17.811 2.896 1.00 0.00 O ATOM 0 H GLU A 78 2.431 -13.461 0.354 1.00 0.00 H new ATOM 0 HA GLU A 78 1.308 -15.594 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.065 -14.686 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.444 -16.221 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.698 -16.923 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.349 -15.361 1.066 1.00 0.00 H new ATOM 1163 N GLY A 79 -0.949 -14.756 -1.713 1.00 0.00 N ATOM 1164 CA GLY A 79 -2.338 -14.472 -2.025 1.00 0.00 C ATOM 1165 C GLY A 79 -2.619 -14.518 -3.514 1.00 0.00 C ATOM 1166 O GLY A 79 -3.636 -15.060 -3.944 1.00 0.00 O ATOM 0 H GLY A 79 -0.404 -15.133 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.976 -15.194 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.600 -13.487 -1.639 1.00 0.00 H new ATOM 1170 N ASP A 80 -1.715 -13.945 -4.302 1.00 0.00 N ATOM 1171 CA ASP A 80 -1.871 -13.922 -5.752 1.00 0.00 C ATOM 1172 C ASP A 80 -2.384 -15.263 -6.265 1.00 0.00 C ATOM 1173 O ASP A 80 -2.285 -16.280 -5.579 1.00 0.00 O ATOM 1174 CB ASP A 80 -0.540 -13.580 -6.423 1.00 0.00 C ATOM 1175 CG ASP A 80 -0.490 -14.029 -7.870 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -0.083 -15.183 -8.119 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -0.856 -13.227 -8.754 1.00 0.00 O ATOM 0 H ASP A 80 -0.868 -13.491 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.603 -13.154 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.378 -12.503 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.274 -14.051 -5.871 1.00 0.00 H new ATOM 1182 N GLU A 81 -2.935 -15.257 -7.475 1.00 0.00 N ATOM 1183 CA GLU A 81 -3.465 -16.474 -8.078 1.00 0.00 C ATOM 1184 C GLU A 81 -2.840 -16.719 -9.448 1.00 0.00 C ATOM 1185 O GLU A 81 -3.090 -17.745 -10.082 1.00 0.00 O ATOM 1186 CB GLU A 81 -4.987 -16.383 -8.210 1.00 0.00 C ATOM 1187 CG GLU A 81 -5.596 -17.511 -9.025 1.00 0.00 C ATOM 1188 CD GLU A 81 -5.578 -17.229 -10.515 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -5.537 -16.040 -10.894 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -5.605 -18.198 -11.302 1.00 0.00 O ATOM 0 H GLU A 81 -3.026 -14.424 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.213 -17.311 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.430 -16.385 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.247 -15.431 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.050 -18.433 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.624 -17.674 -8.702 1.00 0.00 H new ATOM 1197 N ASP A 82 -2.026 -15.771 -9.899 1.00 0.00 N ATOM 1198 CA ASP A 82 -1.363 -15.884 -11.193 1.00 0.00 C ATOM 1199 C ASP A 82 0.083 -15.405 -11.107 1.00 0.00 C ATOM 1200 O ASP A 82 0.393 -14.469 -10.371 1.00 0.00 O ATOM 1201 CB ASP A 82 -2.119 -15.075 -12.249 1.00 0.00 C ATOM 1202 CG ASP A 82 -2.849 -13.886 -11.655 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -2.173 -12.985 -11.115 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -4.095 -13.857 -11.729 1.00 0.00 O ATOM 0 H ASP A 82 -1.809 -14.915 -9.388 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.362 -16.935 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.417 -14.725 -13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.836 -15.722 -12.754 1.00 0.00 H new ATOM 1209 N GLU A 83 0.962 -16.054 -11.863 1.00 0.00 N ATOM 1210 CA GLU A 83 2.375 -15.695 -11.870 1.00 0.00 C ATOM 1211 C GLU A 83 2.929 -15.693 -13.292 1.00 0.00 C ATOM 1212 O GLU A 83 2.326 -16.257 -14.204 1.00 0.00 O ATOM 1213 CB GLU A 83 3.175 -16.668 -11.001 1.00 0.00 C ATOM 1214 CG GLU A 83 4.392 -16.037 -10.344 1.00 0.00 C ATOM 1215 CD GLU A 83 5.636 -16.136 -11.205 1.00 0.00 C ATOM 1216 OE1 GLU A 83 5.982 -17.262 -11.620 1.00 0.00 O ATOM 1217 OE2 GLU A 83 6.264 -15.088 -11.464 1.00 0.00 O ATOM 0 H GLU A 83 0.721 -16.831 -12.478 1.00 0.00 H new ATOM 0 HA GLU A 83 2.470 -14.690 -11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.523 -17.071 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.499 -17.509 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.183 -14.988 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.577 -16.524 -9.387 1.00 0.00 H new ATOM 1224 N GLU A 84 4.081 -15.054 -13.471 1.00 0.00 N ATOM 1225 CA GLU A 84 4.716 -14.978 -14.782 1.00 0.00 C ATOM 1226 C GLU A 84 5.470 -16.266 -15.097 1.00 0.00 C ATOM 1227 O GLU A 84 6.455 -16.599 -14.437 1.00 0.00 O ATOM 1228 CB GLU A 84 5.674 -13.786 -14.840 1.00 0.00 C ATOM 1229 CG GLU A 84 4.984 -12.464 -15.134 1.00 0.00 C ATOM 1230 CD GLU A 84 4.047 -12.036 -14.022 1.00 0.00 C ATOM 1231 OE1 GLU A 84 2.870 -12.454 -14.043 1.00 0.00 O ATOM 1232 OE2 GLU A 84 4.489 -11.281 -13.130 1.00 0.00 O ATOM 0 H GLU A 84 4.593 -14.582 -12.726 1.00 0.00 H new ATOM 0 HA GLU A 84 3.934 -14.844 -15.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.201 -13.708 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.426 -13.972 -15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.737 -11.691 -15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.423 -12.550 -16.064 1.00 0.00 H new ATOM 1239 N ASP A 85 5.000 -16.987 -16.110 1.00 0.00 N ATOM 1240 CA ASP A 85 5.630 -18.238 -16.514 1.00 0.00 C ATOM 1241 C ASP A 85 7.024 -17.988 -17.081 1.00 0.00 C ATOM 1242 O ASP A 85 7.176 -17.331 -18.112 1.00 0.00 O ATOM 1243 CB ASP A 85 4.765 -18.957 -17.552 1.00 0.00 C ATOM 1244 CG ASP A 85 3.475 -19.489 -16.961 1.00 0.00 C ATOM 1245 OD1 ASP A 85 2.785 -18.724 -16.254 1.00 0.00 O ATOM 1246 OD2 ASP A 85 3.154 -20.671 -17.206 1.00 0.00 O ATOM 0 H ASP A 85 4.185 -16.726 -16.666 1.00 0.00 H new ATOM 0 HA ASP A 85 5.725 -18.869 -15.631 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.532 -18.270 -18.366 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.331 -19.782 -17.984 1.00 0.00 H new ATOM 1251 N ILE A 86 8.037 -18.513 -16.401 1.00 0.00 N ATOM 1252 CA ILE A 86 9.417 -18.346 -16.837 1.00 0.00 C ATOM 1253 C ILE A 86 10.238 -19.601 -16.557 1.00 0.00 C ATOM 1254 O ILE A 86 10.183 -20.159 -15.461 1.00 0.00 O ATOM 1255 CB ILE A 86 10.085 -17.144 -16.144 1.00 0.00 C ATOM 1256 CG1 ILE A 86 9.314 -15.858 -16.448 1.00 0.00 C ATOM 1257 CG2 ILE A 86 11.535 -17.015 -16.586 1.00 0.00 C ATOM 1258 CD1 ILE A 86 9.690 -14.701 -15.550 1.00 0.00 C ATOM 0 H ILE A 86 7.928 -19.058 -15.546 1.00 0.00 H new ATOM 0 HA ILE A 86 9.389 -18.166 -17.912 1.00 0.00 H new ATOM 0 HB ILE A 86 10.067 -17.310 -15.067 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.491 -15.575 -17.485 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.246 -16.052 -16.349 1.00 0.00 H new ATOM 0 HG21 ILE A 86 11.993 -16.161 -16.087 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.078 -17.923 -16.323 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.575 -16.869 -17.665 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.104 -13.823 -15.823 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.486 -14.965 -14.512 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.751 -14.480 -15.667 1.00 0.00 H new ATOM 1270 N ASP A 87 11.000 -20.037 -17.554 1.00 0.00 N ATOM 1271 CA ASP A 87 11.836 -21.224 -17.414 1.00 0.00 C ATOM 1272 C ASP A 87 12.710 -21.130 -16.168 1.00 0.00 C ATOM 1273 O ASP A 87 13.320 -20.094 -15.902 1.00 0.00 O ATOM 1274 CB ASP A 87 12.712 -21.406 -18.655 1.00 0.00 C ATOM 1275 CG ASP A 87 11.897 -21.503 -19.930 1.00 0.00 C ATOM 1276 OD1 ASP A 87 11.446 -22.619 -20.262 1.00 0.00 O ATOM 1277 OD2 ASP A 87 11.711 -20.463 -20.595 1.00 0.00 O ATOM 0 H ASP A 87 11.056 -19.587 -18.467 1.00 0.00 H new ATOM 0 HA ASP A 87 11.181 -22.089 -17.311 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.405 -20.568 -18.733 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.314 -22.308 -18.542 1.00 0.00 H new ATOM 1282 N SER A 88 12.766 -22.218 -15.407 1.00 0.00 N ATOM 1283 CA SER A 88 13.562 -22.257 -14.185 1.00 0.00 C ATOM 1284 C SER A 88 13.995 -23.684 -13.865 1.00 0.00 C ATOM 1285 O SER A 88 13.337 -24.647 -14.255 1.00 0.00 O ATOM 1286 CB SER A 88 12.765 -21.678 -13.014 1.00 0.00 C ATOM 1287 OG SER A 88 13.629 -21.158 -12.018 1.00 0.00 O ATOM 0 H SER A 88 12.270 -23.085 -15.615 1.00 0.00 H new ATOM 0 HA SER A 88 14.455 -21.652 -14.342 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.104 -20.890 -13.374 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.132 -22.453 -12.582 1.00 0.00 H new ATOM 0 HG SER A 88 13.096 -20.792 -11.281 1.00 0.00 H new ATOM 1293 N GLY A 89 15.109 -23.811 -13.149 1.00 0.00 N ATOM 1294 CA GLY A 89 15.612 -25.123 -12.787 1.00 0.00 C ATOM 1295 C GLY A 89 16.816 -25.530 -13.614 1.00 0.00 C ATOM 1296 O GLY A 89 17.687 -24.716 -13.924 1.00 0.00 O ATOM 0 H GLY A 89 15.671 -23.029 -12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.882 -25.127 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.820 -25.861 -12.916 1.00 0.00 H new ATOM 1300 N PRO A 90 16.877 -26.818 -13.982 1.00 0.00 N ATOM 1301 CA PRO A 90 17.979 -27.361 -14.782 1.00 0.00 C ATOM 1302 C PRO A 90 17.961 -26.849 -16.218 1.00 0.00 C ATOM 1303 O PRO A 90 17.171 -25.971 -16.564 1.00 0.00 O ATOM 1304 CB PRO A 90 17.731 -28.871 -14.749 1.00 0.00 C ATOM 1305 CG PRO A 90 16.266 -29.009 -14.514 1.00 0.00 C ATOM 1306 CD PRO A 90 15.875 -27.843 -13.648 1.00 0.00 C ATOM 0 HA PRO A 90 18.952 -27.066 -14.388 1.00 0.00 H new ATOM 0 HB2 PRO A 90 18.028 -29.342 -15.686 1.00 0.00 H new ATOM 0 HB3 PRO A 90 18.306 -29.349 -13.956 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.717 -28.998 -15.455 1.00 0.00 H new ATOM 0 HG3 PRO A 90 16.037 -29.955 -14.023 1.00 0.00 H new ATOM 0 HD2 PRO A 90 14.863 -27.502 -13.867 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.902 -28.102 -12.590 1.00 0.00 H new ATOM 1314 N SER A 91 18.837 -27.404 -17.050 1.00 0.00 N ATOM 1315 CA SER A 91 18.923 -27.000 -18.449 1.00 0.00 C ATOM 1316 C SER A 91 18.084 -27.918 -19.332 1.00 0.00 C ATOM 1317 O SER A 91 18.517 -28.329 -20.409 1.00 0.00 O ATOM 1318 CB SER A 91 20.380 -27.015 -18.917 1.00 0.00 C ATOM 1319 OG SER A 91 20.989 -28.266 -18.647 1.00 0.00 O ATOM 0 H SER A 91 19.496 -28.134 -16.780 1.00 0.00 H new ATOM 0 HA SER A 91 18.532 -25.986 -18.534 1.00 0.00 H new ATOM 0 HB2 SER A 91 20.424 -26.809 -19.986 1.00 0.00 H new ATOM 0 HB3 SER A 91 20.934 -26.221 -18.416 1.00 0.00 H new ATOM 0 HG SER A 91 21.919 -28.251 -18.957 1.00 0.00 H new ATOM 1325 N SER A 92 16.880 -28.237 -18.867 1.00 0.00 N ATOM 1326 CA SER A 92 15.980 -29.110 -19.612 1.00 0.00 C ATOM 1327 C SER A 92 14.669 -28.396 -19.929 1.00 0.00 C ATOM 1328 O SER A 92 13.789 -28.284 -19.077 1.00 0.00 O ATOM 1329 CB SER A 92 15.699 -30.387 -18.816 1.00 0.00 C ATOM 1330 OG SER A 92 15.081 -30.089 -17.577 1.00 0.00 O ATOM 0 H SER A 92 16.506 -27.904 -17.979 1.00 0.00 H new ATOM 0 HA SER A 92 16.466 -29.375 -20.551 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.056 -31.048 -19.397 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.632 -30.923 -18.641 1.00 0.00 H new ATOM 0 HG SER A 92 14.457 -29.342 -17.694 1.00 0.00 H new ATOM 1336 N GLY A 93 14.548 -27.915 -21.162 1.00 0.00 N ATOM 1337 CA GLY A 93 13.343 -27.218 -21.571 1.00 0.00 C ATOM 1338 C GLY A 93 12.081 -27.940 -21.141 1.00 0.00 C ATOM 1339 O GLY A 93 12.011 -29.159 -21.282 1.00 0.00 O ATOM 0 H GLY A 93 15.263 -27.996 -21.885 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.346 -26.214 -21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.342 -27.106 -22.655 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.537 5.729 7.666 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.852 -0.336 4.261 1.00 0.00 ZN