USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 833 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 59 ASN : amide:sc= 1.13 K(o=2.2,f=1.5) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.08 K(o=2.2,f=1.5) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.655 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -167:sc= 0.681 (180deg=-0.0697) USER MOD Set 3.1: A 32 CYS SG : rot -150:sc= 0.217 USER MOD Set 3.2: A 35 CYS SG : rot 74:sc= -0.826 USER MOD Set 4.1: A 14 THR OG1 : rot 69:sc= 0.701 USER MOD Set 4.2: A 18 LYS NZ :NH3+ 180:sc= 0.426 (180deg=0.426) USER MOD Set 5.1: A 8 THR OG1 : rot -48:sc= 1.34 USER MOD Set 5.2: A 11 SER OG : rot 11:sc= 3 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -179:sc= 1.05 (180deg=0) USER MOD Set 6.2: A 50 GLN : amide:sc= 1.93 K(o=3,f=-3) USER MOD Single : A 1 SER N :NH3+ -94:sc= 0.157 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 6 HIS : no HD1:sc= 0.99 K(o=0.99,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0254) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.932) USER MOD Single : A 63 ASN : amide:sc= 0.668 K(o=0.67,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0.25 (180deg=0.086) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -50:sc= 1.09 USER MOD Single : A 82 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1) USER MOD Single : A 83 ASN : amide:sc= 0.948 K(o=0.95,f=-0.11) USER MOD Single : A 89 THR OG1 : rot 37:sc= 1.25 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 1.36 (180deg=1.35) USER MOD Single : A 95 SER OG : rot -92:sc= 0.0559 USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0.862 (180deg=0.807) USER MOD Single : A 98 GLN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 106 ASN : amide:sc= 0.264 K(o=0.26,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.015 -6.559 -12.102 1.00 0.00 N ATOM 2 CA SER A 1 -14.701 -6.961 -11.635 1.00 0.00 C ATOM 3 C SER A 1 -14.124 -5.851 -10.755 1.00 0.00 C ATOM 4 O SER A 1 -14.641 -4.734 -10.754 1.00 0.00 O ATOM 5 CB SER A 1 -13.799 -7.232 -12.843 1.00 0.00 C ATOM 6 OG SER A 1 -14.399 -8.222 -13.653 1.00 0.00 O ATOM 0 H1 SER A 1 -16.742 -6.935 -11.460 1.00 0.00 H new ATOM 0 H2 SER A 1 -16.074 -5.521 -12.121 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.172 -6.933 -13.060 1.00 0.00 H new ATOM 0 HA SER A 1 -14.768 -7.874 -11.043 1.00 0.00 H new ATOM 0 HB2 SER A 1 -13.651 -6.316 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.815 -7.563 -12.511 1.00 0.00 H new ATOM 0 HG SER A 1 -13.828 -8.400 -14.429 1.00 0.00 H new ATOM 12 N ASP A 2 -13.055 -6.156 -10.015 1.00 0.00 N ATOM 13 CA ASP A 2 -12.389 -5.173 -9.172 1.00 0.00 C ATOM 14 C ASP A 2 -11.776 -4.098 -10.075 1.00 0.00 C ATOM 15 O ASP A 2 -11.237 -4.414 -11.132 1.00 0.00 O ATOM 16 CB ASP A 2 -11.317 -5.877 -8.320 1.00 0.00 C ATOM 17 CG ASP A 2 -10.695 -5.002 -7.229 1.00 0.00 C ATOM 18 OD1 ASP A 2 -10.911 -3.772 -7.254 1.00 0.00 O ATOM 19 OD2 ASP A 2 -10.004 -5.591 -6.370 1.00 0.00 O ATOM 0 H ASP A 2 -12.633 -7.084 -9.986 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.096 -4.697 -8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.762 -6.756 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.524 -6.233 -8.978 1.00 0.00 H new ATOM 24 N LYS A 3 -11.827 -2.837 -9.642 1.00 0.00 N ATOM 25 CA LYS A 3 -11.202 -1.731 -10.347 1.00 0.00 C ATOM 26 C LYS A 3 -9.684 -1.886 -10.244 1.00 0.00 C ATOM 27 O LYS A 3 -8.949 -1.525 -11.160 1.00 0.00 O ATOM 28 CB LYS A 3 -11.654 -0.398 -9.735 1.00 0.00 C ATOM 29 CG LYS A 3 -13.171 -0.162 -9.786 1.00 0.00 C ATOM 30 CD LYS A 3 -13.689 -0.030 -11.223 1.00 0.00 C ATOM 31 CE LYS A 3 -15.165 0.383 -11.219 1.00 0.00 C ATOM 32 NZ LYS A 3 -15.686 0.521 -12.590 1.00 0.00 N ATOM 0 H LYS A 3 -12.308 -2.559 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.497 -1.738 -11.396 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.327 -0.359 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.153 0.417 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.682 -0.988 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.415 0.743 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.099 0.710 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.571 -0.978 -11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.751 -0.360 -10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.279 1.328 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.682 0.818 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.130 1.235 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.614 -0.392 -13.082 1.00 0.00 H new ATOM 46 N ILE A 4 -9.222 -2.434 -9.117 1.00 0.00 N ATOM 47 CA ILE A 4 -7.818 -2.676 -8.870 1.00 0.00 C ATOM 48 C ILE A 4 -7.392 -3.956 -9.584 1.00 0.00 C ATOM 49 O ILE A 4 -8.111 -4.954 -9.569 1.00 0.00 O ATOM 50 CB ILE A 4 -7.550 -2.766 -7.361 1.00 0.00 C ATOM 51 CG1 ILE A 4 -7.963 -1.445 -6.694 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.075 -3.087 -7.091 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.592 -1.407 -5.213 1.00 0.00 C ATOM 0 H ILE A 4 -9.828 -2.722 -8.348 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.230 -1.846 -9.261 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.142 -3.576 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.482 -0.614 -7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.039 -1.306 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.906 -3.146 -6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.820 -4.042 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.448 -2.302 -7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.903 -0.454 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.094 -2.221 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.513 -1.518 -5.105 1.00 0.00 H new ATOM 65 N ILE A 5 -6.201 -3.922 -10.179 1.00 0.00 N ATOM 66 CA ILE A 5 -5.613 -5.057 -10.881 1.00 0.00 C ATOM 67 C ILE A 5 -4.784 -5.892 -9.894 1.00 0.00 C ATOM 68 O ILE A 5 -3.786 -5.410 -9.360 1.00 0.00 O ATOM 69 CB ILE A 5 -4.763 -4.560 -12.064 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.524 -3.589 -12.988 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.198 -5.743 -12.866 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.838 -4.144 -13.553 1.00 0.00 C ATOM 0 H ILE A 5 -5.610 -3.091 -10.186 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.399 -5.693 -11.287 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.936 -3.996 -11.634 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.739 -2.675 -12.435 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.874 -3.314 -13.819 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.601 -5.367 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.572 -6.356 -12.218 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.020 -6.346 -13.253 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.305 -3.394 -14.191 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.633 -5.041 -14.137 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.511 -4.392 -12.732 1.00 0.00 H new ATOM 84 N HIS A 6 -5.173 -7.144 -9.647 1.00 0.00 N ATOM 85 CA HIS A 6 -4.435 -8.032 -8.756 1.00 0.00 C ATOM 86 C HIS A 6 -3.278 -8.644 -9.545 1.00 0.00 C ATOM 87 O HIS A 6 -3.503 -9.509 -10.388 1.00 0.00 O ATOM 88 CB HIS A 6 -5.356 -9.103 -8.162 1.00 0.00 C ATOM 89 CG HIS A 6 -6.298 -8.534 -7.132 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.281 -8.799 -5.773 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.249 -7.581 -7.363 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.216 -8.022 -5.195 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.816 -7.279 -6.144 1.00 0.00 N ATOM 0 H HIS A 6 -6.005 -7.567 -10.058 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.035 -7.472 -7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.932 -9.569 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.752 -9.887 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.507 -7.147 -8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.447 -7.998 -4.140 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.565 -6.605 -5.987 1.00 0.00 H new ATOM 102 N LEU A 7 -2.052 -8.182 -9.295 1.00 0.00 N ATOM 103 CA LEU A 7 -0.869 -8.628 -10.010 1.00 0.00 C ATOM 104 C LEU A 7 -0.200 -9.815 -9.329 1.00 0.00 C ATOM 105 O LEU A 7 -0.278 -9.980 -8.112 1.00 0.00 O ATOM 106 CB LEU A 7 0.153 -7.488 -10.056 1.00 0.00 C ATOM 107 CG LEU A 7 -0.322 -6.259 -10.835 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.622 -5.103 -10.498 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.313 -6.508 -12.344 1.00 0.00 C ATOM 0 H LEU A 7 -1.857 -7.480 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.189 -8.927 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.394 -7.188 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.074 -7.857 -10.506 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.349 -6.028 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.310 -4.209 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.590 -4.908 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.639 -5.367 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.656 -5.613 -12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.700 -6.748 -12.667 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.976 -7.340 -12.579 1.00 0.00 H new ATOM 121 N THR A 8 0.530 -10.588 -10.134 1.00 0.00 N ATOM 122 CA THR A 8 1.380 -11.678 -9.702 1.00 0.00 C ATOM 123 C THR A 8 2.770 -11.419 -10.282 1.00 0.00 C ATOM 124 O THR A 8 2.904 -10.704 -11.280 1.00 0.00 O ATOM 125 CB THR A 8 0.829 -13.035 -10.165 1.00 0.00 C ATOM 126 OG1 THR A 8 0.973 -13.177 -11.566 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.641 -13.222 -9.775 1.00 0.00 C ATOM 0 H THR A 8 0.540 -10.459 -11.146 1.00 0.00 H new ATOM 0 HA THR A 8 1.420 -11.721 -8.614 1.00 0.00 H new ATOM 0 HB THR A 8 1.411 -13.806 -9.659 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.641 -12.370 -12.012 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.989 -14.195 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.740 -13.167 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.242 -12.437 -10.234 1.00 0.00 H new ATOM 135 N ASP A 9 3.801 -12.018 -9.683 1.00 0.00 N ATOM 136 CA ASP A 9 5.178 -11.897 -10.133 1.00 0.00 C ATOM 137 C ASP A 9 5.281 -12.307 -11.602 1.00 0.00 C ATOM 138 O ASP A 9 5.901 -11.615 -12.406 1.00 0.00 O ATOM 139 CB ASP A 9 6.065 -12.780 -9.250 1.00 0.00 C ATOM 140 CG ASP A 9 7.539 -12.579 -9.589 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.096 -11.566 -9.110 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.081 -13.434 -10.320 1.00 0.00 O ATOM 0 H ASP A 9 3.695 -12.609 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 9 5.513 -10.863 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.893 -12.542 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.795 -13.827 -9.388 1.00 0.00 H new ATOM 147 N ASP A 10 4.634 -13.426 -11.939 1.00 0.00 N ATOM 148 CA ASP A 10 4.589 -13.972 -13.287 1.00 0.00 C ATOM 149 C ASP A 10 4.009 -12.961 -14.277 1.00 0.00 C ATOM 150 O ASP A 10 4.537 -12.792 -15.372 1.00 0.00 O ATOM 151 CB ASP A 10 3.760 -15.258 -13.283 1.00 0.00 C ATOM 152 CG ASP A 10 3.615 -15.826 -14.692 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.563 -16.515 -15.125 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.558 -15.559 -15.306 1.00 0.00 O ATOM 0 H ASP A 10 4.116 -13.986 -11.262 1.00 0.00 H new ATOM 0 HA ASP A 10 5.606 -14.196 -13.609 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.234 -15.997 -12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.773 -15.056 -12.866 1.00 0.00 H new ATOM 159 N SER A 11 2.915 -12.292 -13.903 1.00 0.00 N ATOM 160 CA SER A 11 2.244 -11.363 -14.800 1.00 0.00 C ATOM 161 C SER A 11 2.974 -10.020 -14.880 1.00 0.00 C ATOM 162 O SER A 11 2.935 -9.361 -15.919 1.00 0.00 O ATOM 163 CB SER A 11 0.805 -11.168 -14.306 1.00 0.00 C ATOM 164 OG SER A 11 0.772 -10.870 -12.919 1.00 0.00 O ATOM 0 H SER A 11 2.480 -12.380 -12.985 1.00 0.00 H new ATOM 0 HA SER A 11 2.244 -11.779 -15.807 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.333 -10.360 -14.865 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.226 -12.071 -14.500 1.00 0.00 H new ATOM 0 HG SER A 11 1.681 -10.684 -12.603 1.00 0.00 H new ATOM 170 N PHE A 12 3.614 -9.611 -13.780 1.00 0.00 N ATOM 171 CA PHE A 12 4.317 -8.343 -13.602 1.00 0.00 C ATOM 172 C PHE A 12 5.059 -7.852 -14.850 1.00 0.00 C ATOM 173 O PHE A 12 4.941 -6.689 -15.241 1.00 0.00 O ATOM 174 CB PHE A 12 5.286 -8.483 -12.422 1.00 0.00 C ATOM 175 CG PHE A 12 5.728 -7.159 -11.844 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.856 -6.498 -12.359 1.00 0.00 C ATOM 177 CD2 PHE A 12 4.983 -6.572 -10.806 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.238 -5.254 -11.831 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.406 -5.363 -10.233 1.00 0.00 C ATOM 180 CZ PHE A 12 6.533 -4.702 -10.748 1.00 0.00 C ATOM 0 H PHE A 12 3.656 -10.192 -12.943 1.00 0.00 H new ATOM 0 HA PHE A 12 3.562 -7.583 -13.404 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.809 -9.071 -11.638 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.165 -9.040 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.428 -6.945 -13.159 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.084 -7.052 -10.449 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.075 -4.721 -12.258 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.866 -4.942 -9.398 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.858 -3.769 -10.312 1.00 0.00 H new ATOM 190 N ASP A 13 5.837 -8.736 -15.480 1.00 0.00 N ATOM 191 CA ASP A 13 6.613 -8.383 -16.658 1.00 0.00 C ATOM 192 C ASP A 13 5.745 -7.791 -17.772 1.00 0.00 C ATOM 193 O ASP A 13 6.161 -6.868 -18.464 1.00 0.00 O ATOM 194 CB ASP A 13 7.423 -9.596 -17.145 1.00 0.00 C ATOM 195 CG ASP A 13 6.638 -10.557 -18.042 1.00 0.00 C ATOM 196 OD1 ASP A 13 5.492 -10.897 -17.675 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.195 -10.912 -19.103 1.00 0.00 O ATOM 0 H ASP A 13 5.942 -9.707 -15.186 1.00 0.00 H new ATOM 0 HA ASP A 13 7.312 -7.597 -16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.297 -9.240 -17.691 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.791 -10.145 -16.278 1.00 0.00 H new ATOM 202 N THR A 14 4.549 -8.334 -17.961 1.00 0.00 N ATOM 203 CA THR A 14 3.634 -7.904 -18.999 1.00 0.00 C ATOM 204 C THR A 14 2.717 -6.807 -18.466 1.00 0.00 C ATOM 205 O THR A 14 2.545 -5.760 -19.085 1.00 0.00 O ATOM 206 CB THR A 14 2.865 -9.137 -19.498 1.00 0.00 C ATOM 207 OG1 THR A 14 3.799 -10.141 -19.853 1.00 0.00 O ATOM 208 CG2 THR A 14 2.013 -8.816 -20.727 1.00 0.00 C ATOM 0 H THR A 14 4.187 -9.096 -17.387 1.00 0.00 H new ATOM 0 HA THR A 14 4.170 -7.470 -19.843 1.00 0.00 H new ATOM 0 HB THR A 14 2.204 -9.470 -18.698 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.243 -10.475 -19.046 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.485 -9.714 -21.049 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.290 -8.040 -20.476 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.656 -8.465 -21.534 1.00 0.00 H new ATOM 216 N ASP A 15 2.101 -7.070 -17.316 1.00 0.00 N ATOM 217 CA ASP A 15 1.106 -6.192 -16.727 1.00 0.00 C ATOM 218 C ASP A 15 1.678 -4.873 -16.218 1.00 0.00 C ATOM 219 O ASP A 15 0.943 -3.892 -16.193 1.00 0.00 O ATOM 220 CB ASP A 15 0.348 -6.924 -15.617 1.00 0.00 C ATOM 221 CG ASP A 15 -0.587 -8.006 -16.155 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.084 -8.893 -16.879 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.787 -7.939 -15.815 1.00 0.00 O ATOM 0 H ASP A 15 2.284 -7.909 -16.765 1.00 0.00 H new ATOM 0 HA ASP A 15 0.415 -5.925 -17.526 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.064 -7.377 -14.931 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.232 -6.202 -15.042 1.00 0.00 H new ATOM 228 N VAL A 16 2.944 -4.841 -15.791 1.00 0.00 N ATOM 229 CA VAL A 16 3.577 -3.636 -15.265 1.00 0.00 C ATOM 230 C VAL A 16 4.707 -3.176 -16.181 1.00 0.00 C ATOM 231 O VAL A 16 4.673 -2.059 -16.689 1.00 0.00 O ATOM 232 CB VAL A 16 4.071 -3.853 -13.821 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.674 -2.562 -13.253 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.913 -4.282 -12.917 1.00 0.00 C ATOM 0 H VAL A 16 3.558 -5.655 -15.802 1.00 0.00 H new ATOM 0 HA VAL A 16 2.829 -2.843 -15.236 1.00 0.00 H new ATOM 0 HB VAL A 16 4.831 -4.633 -13.848 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.016 -2.738 -12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.517 -2.252 -13.870 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.918 -1.777 -13.251 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.280 -4.431 -11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.146 -3.507 -12.916 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.487 -5.214 -13.289 1.00 0.00 H new ATOM 244 N LEU A 17 5.733 -4.005 -16.387 1.00 0.00 N ATOM 245 CA LEU A 17 6.893 -3.556 -17.158 1.00 0.00 C ATOM 246 C LEU A 17 6.563 -3.171 -18.603 1.00 0.00 C ATOM 247 O LEU A 17 7.193 -2.264 -19.138 1.00 0.00 O ATOM 248 CB LEU A 17 8.071 -4.528 -17.033 1.00 0.00 C ATOM 249 CG LEU A 17 8.485 -4.764 -15.571 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.687 -5.711 -15.519 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.855 -3.450 -14.865 1.00 0.00 C ATOM 0 H LEU A 17 5.785 -4.963 -16.042 1.00 0.00 H new ATOM 0 HA LEU A 17 7.218 -2.620 -16.703 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.802 -5.481 -17.490 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.922 -4.136 -17.590 1.00 0.00 H new ATOM 0 HG LEU A 17 7.632 -5.204 -15.055 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.976 -5.875 -14.481 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.420 -6.664 -15.976 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.522 -5.269 -16.063 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.142 -3.659 -13.834 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.689 -2.980 -15.386 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.997 -2.778 -14.874 1.00 0.00 H new ATOM 263 N LYS A 18 5.562 -3.799 -19.230 1.00 0.00 N ATOM 264 CA LYS A 18 5.137 -3.413 -20.575 1.00 0.00 C ATOM 265 C LYS A 18 3.909 -2.487 -20.510 1.00 0.00 C ATOM 266 O LYS A 18 3.225 -2.293 -21.514 1.00 0.00 O ATOM 267 CB LYS A 18 4.871 -4.663 -21.423 1.00 0.00 C ATOM 268 CG LYS A 18 6.130 -5.518 -21.592 1.00 0.00 C ATOM 269 CD LYS A 18 5.811 -6.771 -22.418 1.00 0.00 C ATOM 270 CE LYS A 18 6.844 -7.881 -22.192 1.00 0.00 C ATOM 271 NZ LYS A 18 6.675 -8.511 -20.868 1.00 0.00 N ATOM 0 H LYS A 18 5.034 -4.574 -18.827 1.00 0.00 H new ATOM 0 HA LYS A 18 5.938 -2.851 -21.056 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.088 -5.259 -20.955 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.501 -4.364 -22.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.910 -4.937 -22.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.517 -5.806 -20.615 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.819 -7.138 -22.153 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.783 -6.511 -23.476 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.745 -8.636 -22.972 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.849 -7.467 -22.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.388 -9.258 -20.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.793 -7.794 -20.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.724 -8.926 -20.800 1.00 0.00 H new ATOM 285 N ALA A 19 3.614 -1.897 -19.343 1.00 0.00 N ATOM 286 CA ALA A 19 2.460 -1.027 -19.189 1.00 0.00 C ATOM 287 C ALA A 19 2.720 0.354 -19.777 1.00 0.00 C ATOM 288 O ALA A 19 3.232 1.235 -19.088 1.00 0.00 O ATOM 289 CB ALA A 19 2.081 -0.892 -17.716 1.00 0.00 C ATOM 0 H ALA A 19 4.167 -2.013 -18.494 1.00 0.00 H new ATOM 0 HA ALA A 19 1.634 -1.484 -19.734 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.215 -0.237 -17.622 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.838 -1.875 -17.311 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.919 -0.468 -17.162 1.00 0.00 H new ATOM 295 N ASP A 20 2.322 0.566 -21.034 1.00 0.00 N ATOM 296 CA ASP A 20 2.406 1.870 -21.685 1.00 0.00 C ATOM 297 C ASP A 20 1.280 2.756 -21.141 1.00 0.00 C ATOM 298 O ASP A 20 0.311 3.061 -21.832 1.00 0.00 O ATOM 299 CB ASP A 20 2.333 1.696 -23.204 1.00 0.00 C ATOM 300 CG ASP A 20 2.390 3.026 -23.957 1.00 0.00 C ATOM 301 OD1 ASP A 20 2.906 4.004 -23.372 1.00 0.00 O ATOM 302 OD2 ASP A 20 1.927 3.034 -25.118 1.00 0.00 O ATOM 0 H ASP A 20 1.932 -0.166 -21.628 1.00 0.00 H new ATOM 0 HA ASP A 20 3.357 2.356 -21.468 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.157 1.062 -23.532 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.410 1.177 -23.462 1.00 0.00 H new ATOM 307 N GLY A 21 1.404 3.129 -19.870 1.00 0.00 N ATOM 308 CA GLY A 21 0.451 3.929 -19.123 1.00 0.00 C ATOM 309 C GLY A 21 0.956 4.065 -17.689 1.00 0.00 C ATOM 310 O GLY A 21 2.096 3.689 -17.415 1.00 0.00 O ATOM 0 H GLY A 21 2.214 2.866 -19.309 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.340 4.912 -19.581 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.532 3.458 -19.136 1.00 0.00 H new ATOM 314 N ALA A 22 0.119 4.605 -16.795 1.00 0.00 N ATOM 315 CA ALA A 22 0.411 4.832 -15.385 1.00 0.00 C ATOM 316 C ALA A 22 -0.312 3.805 -14.508 1.00 0.00 C ATOM 317 O ALA A 22 -1.544 3.766 -14.502 1.00 0.00 O ATOM 318 CB ALA A 22 -0.024 6.257 -15.026 1.00 0.00 C ATOM 0 H ALA A 22 -0.821 4.907 -17.052 1.00 0.00 H new ATOM 0 HA ALA A 22 1.480 4.716 -15.206 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.186 6.447 -13.974 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.525 6.971 -15.640 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.093 6.368 -15.208 1.00 0.00 H new ATOM 324 N ILE A 23 0.448 2.990 -13.767 1.00 0.00 N ATOM 325 CA ILE A 23 -0.053 1.966 -12.863 1.00 0.00 C ATOM 326 C ILE A 23 0.472 2.215 -11.445 1.00 0.00 C ATOM 327 O ILE A 23 1.675 2.116 -11.204 1.00 0.00 O ATOM 328 CB ILE A 23 0.343 0.561 -13.355 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.070 0.356 -14.824 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.272 -0.498 -12.426 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.159 -1.116 -15.233 1.00 0.00 C ATOM 0 H ILE A 23 1.467 3.033 -13.786 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.142 2.019 -12.845 1.00 0.00 H new ATOM 0 HB ILE A 23 1.427 0.456 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.037 0.830 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.649 0.861 -15.469 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.007 -1.493 -12.773 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.098 -0.351 -11.411 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.358 -0.403 -12.434 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.455 -1.186 -16.280 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.813 -1.590 -15.098 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.899 -1.622 -14.613 1.00 0.00 H new ATOM 343 N LEU A 24 -0.425 2.483 -10.491 1.00 0.00 N ATOM 344 CA LEU A 24 -0.075 2.613 -9.082 1.00 0.00 C ATOM 345 C LEU A 24 -0.053 1.199 -8.502 1.00 0.00 C ATOM 346 O LEU A 24 -1.102 0.658 -8.157 1.00 0.00 O ATOM 347 CB LEU A 24 -1.085 3.516 -8.359 1.00 0.00 C ATOM 348 CG LEU A 24 -0.731 3.754 -6.878 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.451 4.722 -6.738 1.00 0.00 C ATOM 350 CD2 LEU A 24 -1.953 4.303 -6.138 1.00 0.00 C ATOM 0 H LEU A 24 -1.418 2.616 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 24 0.900 3.083 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.138 4.476 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.076 3.066 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.437 2.801 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.677 4.870 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.324 4.306 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.193 5.679 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.700 4.470 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.260 5.245 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.771 3.585 -6.203 1.00 0.00 H new ATOM 362 N VAL A 25 1.133 0.595 -8.415 1.00 0.00 N ATOM 363 CA VAL A 25 1.308 -0.758 -7.900 1.00 0.00 C ATOM 364 C VAL A 25 1.451 -0.711 -6.381 1.00 0.00 C ATOM 365 O VAL A 25 2.432 -0.172 -5.878 1.00 0.00 O ATOM 366 CB VAL A 25 2.539 -1.430 -8.529 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.667 -2.870 -8.015 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.451 -1.472 -10.056 1.00 0.00 C ATOM 0 H VAL A 25 2.005 1.038 -8.703 1.00 0.00 H new ATOM 0 HA VAL A 25 0.431 -1.349 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 25 3.408 -0.837 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.541 -3.340 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.777 -2.861 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.773 -3.433 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.341 -1.955 -10.459 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.567 -2.035 -10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.382 -0.456 -10.445 1.00 0.00 H new ATOM 378 N ASP A 26 0.499 -1.298 -5.657 1.00 0.00 N ATOM 379 CA ASP A 26 0.512 -1.384 -4.207 1.00 0.00 C ATOM 380 C ASP A 26 0.998 -2.771 -3.790 1.00 0.00 C ATOM 381 O ASP A 26 0.232 -3.730 -3.850 1.00 0.00 O ATOM 382 CB ASP A 26 -0.897 -1.116 -3.658 1.00 0.00 C ATOM 383 CG ASP A 26 -0.992 -1.457 -2.179 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.017 -1.941 -1.709 1.00 0.00 O ATOM 385 OD2 ASP A 26 0.100 -1.227 -1.403 1.00 0.00 O ATOM 0 H ASP A 26 -0.320 -1.736 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 26 1.189 -0.634 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.154 -0.067 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.624 -1.705 -4.216 1.00 0.00 H new ATOM 391 N PHE A 27 2.243 -2.880 -3.324 1.00 0.00 N ATOM 392 CA PHE A 27 2.771 -4.131 -2.796 1.00 0.00 C ATOM 393 C PHE A 27 2.216 -4.227 -1.375 1.00 0.00 C ATOM 394 O PHE A 27 2.441 -3.303 -0.587 1.00 0.00 O ATOM 395 CB PHE A 27 4.304 -4.135 -2.800 1.00 0.00 C ATOM 396 CG PHE A 27 4.965 -4.176 -4.170 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.877 -3.075 -5.043 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.762 -5.280 -4.530 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.541 -3.098 -6.281 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.464 -5.279 -5.747 1.00 0.00 C ATOM 401 CZ PHE A 27 6.340 -4.197 -6.634 1.00 0.00 C ATOM 0 H PHE A 27 2.907 -2.106 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 27 2.475 -4.986 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.652 -3.244 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.647 -4.996 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.297 -2.209 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.834 -6.130 -3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.436 -2.267 -6.963 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.101 -6.113 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.857 -4.210 -7.582 1.00 0.00 H new ATOM 411 N TRP A 28 1.458 -5.285 -1.062 1.00 0.00 N ATOM 412 CA TRP A 28 0.765 -5.409 0.218 1.00 0.00 C ATOM 413 C TRP A 28 0.764 -6.822 0.801 1.00 0.00 C ATOM 414 O TRP A 28 0.990 -7.802 0.087 1.00 0.00 O ATOM 415 CB TRP A 28 -0.682 -4.951 0.023 1.00 0.00 C ATOM 416 CG TRP A 28 -1.588 -5.870 -0.737 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.536 -6.106 -2.063 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.705 -6.664 -0.237 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.503 -7.023 -2.412 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.269 -7.390 -1.327 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.317 -6.831 1.023 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.370 -8.244 -1.178 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.456 -7.645 1.176 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.966 -8.370 0.086 1.00 0.00 C ATOM 0 H TRP A 28 1.311 -6.075 -1.690 1.00 0.00 H new ATOM 0 HA TRP A 28 1.307 -4.789 0.932 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.119 -4.781 1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.667 -3.989 -0.490 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.841 -5.645 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.635 -7.385 -3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.905 -6.326 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.754 -8.797 -2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.941 -7.712 2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.815 -9.023 0.221 1.00 0.00 H new ATOM 435 N ALA A 29 0.435 -6.927 2.094 1.00 0.00 N ATOM 436 CA ALA A 29 0.284 -8.191 2.800 1.00 0.00 C ATOM 437 C ALA A 29 -1.059 -8.206 3.520 1.00 0.00 C ATOM 438 O ALA A 29 -1.464 -7.200 4.097 1.00 0.00 O ATOM 439 CB ALA A 29 1.426 -8.432 3.780 1.00 0.00 C ATOM 0 H ALA A 29 0.264 -6.114 2.686 1.00 0.00 H new ATOM 0 HA ALA A 29 0.317 -9.001 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.276 -9.385 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.372 -8.454 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.448 -7.629 4.517 1.00 0.00 H new ATOM 445 N GLU A 30 -1.734 -9.355 3.496 1.00 0.00 N ATOM 446 CA GLU A 30 -3.045 -9.566 4.095 1.00 0.00 C ATOM 447 C GLU A 30 -3.054 -9.171 5.574 1.00 0.00 C ATOM 448 O GLU A 30 -3.934 -8.448 6.031 1.00 0.00 O ATOM 449 CB GLU A 30 -3.436 -11.034 3.887 1.00 0.00 C ATOM 450 CG GLU A 30 -3.606 -11.358 2.392 1.00 0.00 C ATOM 451 CD GLU A 30 -3.601 -12.861 2.138 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.503 -13.448 2.255 1.00 0.00 O ATOM 453 OE2 GLU A 30 -4.692 -13.395 1.839 1.00 0.00 O ATOM 0 H GLU A 30 -1.367 -10.192 3.042 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.783 -8.926 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.672 -11.681 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.366 -11.244 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.542 -10.931 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.802 -10.890 1.824 1.00 0.00 H new ATOM 460 N TRP A 31 -2.058 -9.653 6.314 1.00 0.00 N ATOM 461 CA TRP A 31 -1.903 -9.385 7.737 1.00 0.00 C ATOM 462 C TRP A 31 -1.516 -7.927 8.018 1.00 0.00 C ATOM 463 O TRP A 31 -1.725 -7.434 9.126 1.00 0.00 O ATOM 464 CB TRP A 31 -0.861 -10.356 8.311 1.00 0.00 C ATOM 465 CG TRP A 31 0.428 -10.445 7.547 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.710 -11.366 6.597 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.596 -9.571 7.611 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.944 -11.103 6.047 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.541 -10.007 6.633 1.00 0.00 C ATOM 470 CE3 TRP A 31 1.947 -8.439 8.379 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.759 -9.345 6.418 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.177 -7.783 8.190 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.085 -8.236 7.216 1.00 0.00 C ATOM 0 H TRP A 31 -1.325 -10.251 5.933 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.864 -9.541 8.227 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.637 -10.057 9.335 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.304 -11.351 8.359 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.064 -12.184 6.313 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.365 -11.652 5.298 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.259 -8.070 9.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.437 -9.684 5.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.426 -6.925 8.797 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.031 -7.732 7.082 1.00 0.00 H new ATOM 484 N CYS A 32 -0.949 -7.217 7.037 1.00 0.00 N ATOM 485 CA CYS A 32 -0.517 -5.841 7.240 1.00 0.00 C ATOM 486 C CYS A 32 -1.711 -4.890 7.150 1.00 0.00 C ATOM 487 O CYS A 32 -1.907 -4.217 6.141 1.00 0.00 O ATOM 488 CB CYS A 32 0.596 -5.483 6.258 1.00 0.00 C ATOM 489 SG CYS A 32 1.185 -3.815 6.635 1.00 0.00 S ATOM 0 H CYS A 32 -0.781 -7.577 6.098 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.102 -5.736 8.242 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.414 -6.199 6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.226 -5.531 5.234 1.00 0.00 H new ATOM 0 HG CYS A 32 1.613 -3.249 5.545 1.00 0.00 H new ATOM 495 N GLY A 33 -2.504 -4.859 8.226 1.00 0.00 N ATOM 496 CA GLY A 33 -3.708 -4.050 8.428 1.00 0.00 C ATOM 497 C GLY A 33 -3.807 -2.781 7.570 1.00 0.00 C ATOM 498 O GLY A 33 -4.750 -2.664 6.785 1.00 0.00 O ATOM 0 H GLY A 33 -2.305 -5.443 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.580 -4.672 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.758 -3.762 9.478 1.00 0.00 H new ATOM 502 N PRO A 34 -2.868 -1.824 7.693 1.00 0.00 N ATOM 503 CA PRO A 34 -2.855 -0.591 6.913 1.00 0.00 C ATOM 504 C PRO A 34 -3.149 -0.790 5.420 1.00 0.00 C ATOM 505 O PRO A 34 -3.813 0.036 4.801 1.00 0.00 O ATOM 506 CB PRO A 34 -1.473 0.021 7.149 1.00 0.00 C ATOM 507 CG PRO A 34 -1.154 -0.434 8.571 1.00 0.00 C ATOM 508 CD PRO A 34 -1.733 -1.848 8.604 1.00 0.00 C ATOM 0 HA PRO A 34 -3.660 0.067 7.238 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.739 -0.344 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.489 1.108 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.082 -0.430 8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.617 0.212 9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.992 -2.583 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.044 -2.121 9.612 1.00 0.00 H new ATOM 516 N CYS A 35 -2.690 -1.902 4.839 1.00 0.00 N ATOM 517 CA CYS A 35 -2.949 -2.236 3.444 1.00 0.00 C ATOM 518 C CYS A 35 -4.456 -2.330 3.204 1.00 0.00 C ATOM 519 O CYS A 35 -5.002 -1.735 2.274 1.00 0.00 O ATOM 520 CB CYS A 35 -2.312 -3.574 3.065 1.00 0.00 C ATOM 521 SG CYS A 35 -0.512 -3.528 3.253 1.00 0.00 S ATOM 0 H CYS A 35 -2.126 -2.596 5.329 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.513 -1.449 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.724 -4.365 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.565 -3.820 2.034 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.207 -3.559 4.516 1.00 0.00 H new ATOM 527 N LYS A 36 -5.137 -3.070 4.082 1.00 0.00 N ATOM 528 CA LYS A 36 -6.578 -3.235 4.032 1.00 0.00 C ATOM 529 C LYS A 36 -7.242 -1.886 4.304 1.00 0.00 C ATOM 530 O LYS A 36 -8.253 -1.566 3.687 1.00 0.00 O ATOM 531 CB LYS A 36 -7.037 -4.317 5.015 1.00 0.00 C ATOM 532 CG LYS A 36 -6.403 -5.679 4.687 1.00 0.00 C ATOM 533 CD LYS A 36 -6.791 -6.767 5.699 1.00 0.00 C ATOM 534 CE LYS A 36 -8.301 -7.012 5.817 1.00 0.00 C ATOM 535 NZ LYS A 36 -8.910 -7.337 4.515 1.00 0.00 N ATOM 0 H LYS A 36 -4.693 -3.572 4.851 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.879 -3.572 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.770 -4.025 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.123 -4.403 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.712 -5.989 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.318 -5.576 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.305 -7.700 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.402 -6.490 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.482 -7.828 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.781 -6.125 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.917 -7.561 4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.819 -6.522 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.425 -8.158 4.100 1.00 0.00 H new ATOM 549 N MET A 37 -6.665 -1.082 5.204 1.00 0.00 N ATOM 550 CA MET A 37 -7.186 0.246 5.499 1.00 0.00 C ATOM 551 C MET A 37 -7.167 1.128 4.243 1.00 0.00 C ATOM 552 O MET A 37 -8.150 1.812 3.966 1.00 0.00 O ATOM 553 CB MET A 37 -6.420 0.876 6.666 1.00 0.00 C ATOM 554 CG MET A 37 -7.128 2.124 7.203 1.00 0.00 C ATOM 555 SD MET A 37 -6.279 2.914 8.592 1.00 0.00 S ATOM 556 CE MET A 37 -7.408 4.286 8.908 1.00 0.00 C ATOM 0 H MET A 37 -5.834 -1.334 5.739 1.00 0.00 H new ATOM 0 HA MET A 37 -8.227 0.157 5.809 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.313 0.145 7.468 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.414 1.141 6.340 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.230 2.847 6.394 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.136 1.851 7.515 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.033 4.881 9.741 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.479 4.911 8.018 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.395 3.895 9.156 1.00 0.00 H new ATOM 566 N ILE A 38 -6.066 1.129 3.477 1.00 0.00 N ATOM 567 CA ILE A 38 -5.993 1.937 2.261 1.00 0.00 C ATOM 568 C ILE A 38 -6.780 1.321 1.100 1.00 0.00 C ATOM 569 O ILE A 38 -7.196 2.061 0.213 1.00 0.00 O ATOM 570 CB ILE A 38 -4.554 2.307 1.856 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.719 1.092 1.435 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.869 3.098 2.977 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.410 1.495 0.750 1.00 0.00 C ATOM 0 H ILE A 38 -5.227 0.585 3.678 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.482 2.879 2.510 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.624 2.942 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.495 0.486 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.304 0.469 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.853 3.352 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.429 4.013 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.838 2.493 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.855 0.600 0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.632 2.078 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.811 2.095 1.435 1.00 0.00 H new ATOM 585 N ALA A 39 -6.984 -0.003 1.076 1.00 0.00 N ATOM 586 CA ALA A 39 -7.733 -0.688 0.020 1.00 0.00 C ATOM 587 C ALA A 39 -8.953 0.101 -0.504 1.00 0.00 C ATOM 588 O ALA A 39 -8.980 0.404 -1.696 1.00 0.00 O ATOM 589 CB ALA A 39 -8.094 -2.118 0.436 1.00 0.00 C ATOM 0 H ALA A 39 -6.630 -0.632 1.797 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.060 -0.747 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.649 -2.601 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.182 -2.680 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.708 -2.091 1.336 1.00 0.00 H new ATOM 595 N PRO A 40 -9.947 0.474 0.324 1.00 0.00 N ATOM 596 CA PRO A 40 -11.088 1.258 -0.134 1.00 0.00 C ATOM 597 C PRO A 40 -10.659 2.579 -0.784 1.00 0.00 C ATOM 598 O PRO A 40 -11.210 2.957 -1.815 1.00 0.00 O ATOM 599 CB PRO A 40 -11.977 1.487 1.093 1.00 0.00 C ATOM 600 CG PRO A 40 -11.035 1.269 2.274 1.00 0.00 C ATOM 601 CD PRO A 40 -10.075 0.207 1.746 1.00 0.00 C ATOM 0 HA PRO A 40 -11.632 0.724 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.399 2.492 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.814 0.789 1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.513 2.185 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.569 0.927 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.108 0.268 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.463 -0.796 1.924 1.00 0.00 H new ATOM 609 N ILE A 41 -9.656 3.264 -0.225 1.00 0.00 N ATOM 610 CA ILE A 41 -9.144 4.504 -0.804 1.00 0.00 C ATOM 611 C ILE A 41 -8.654 4.185 -2.216 1.00 0.00 C ATOM 612 O ILE A 41 -9.047 4.843 -3.176 1.00 0.00 O ATOM 613 CB ILE A 41 -8.026 5.136 0.051 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.429 5.225 1.534 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.681 6.532 -0.497 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.326 5.843 2.395 1.00 0.00 C ATOM 0 H ILE A 41 -9.183 2.976 0.632 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.941 5.247 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.146 4.495 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.337 5.821 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.662 4.227 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.891 6.976 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.341 6.444 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.567 7.166 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.655 5.885 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.425 5.233 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.110 6.851 2.041 1.00 0.00 H new ATOM 628 N LEU A 42 -7.817 3.152 -2.345 1.00 0.00 N ATOM 629 CA LEU A 42 -7.295 2.711 -3.629 1.00 0.00 C ATOM 630 C LEU A 42 -8.436 2.379 -4.595 1.00 0.00 C ATOM 631 O LEU A 42 -8.377 2.774 -5.756 1.00 0.00 O ATOM 632 CB LEU A 42 -6.323 1.535 -3.448 1.00 0.00 C ATOM 633 CG LEU A 42 -4.980 1.925 -2.806 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.244 0.646 -2.398 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.085 2.710 -3.771 1.00 0.00 C ATOM 0 H LEU A 42 -7.485 2.600 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.728 3.528 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.801 0.774 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.131 1.083 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.192 2.560 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.289 0.906 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.850 0.090 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.068 0.030 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.149 2.963 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.876 2.101 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.593 3.625 -4.076 1.00 0.00 H new ATOM 647 N ASP A 43 -9.482 1.683 -4.137 1.00 0.00 N ATOM 648 CA ASP A 43 -10.632 1.353 -4.978 1.00 0.00 C ATOM 649 C ASP A 43 -11.299 2.633 -5.488 1.00 0.00 C ATOM 650 O ASP A 43 -11.570 2.771 -6.683 1.00 0.00 O ATOM 651 CB ASP A 43 -11.652 0.493 -4.218 1.00 0.00 C ATOM 652 CG ASP A 43 -11.141 -0.902 -3.875 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.756 -1.618 -4.824 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.173 -1.245 -2.672 1.00 0.00 O ATOM 0 H ASP A 43 -9.553 1.336 -3.180 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.270 0.774 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.931 1.005 -3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.557 0.402 -4.819 1.00 0.00 H new ATOM 659 N GLU A 44 -11.561 3.578 -4.582 1.00 0.00 N ATOM 660 CA GLU A 44 -12.187 4.843 -4.943 1.00 0.00 C ATOM 661 C GLU A 44 -11.319 5.571 -5.969 1.00 0.00 C ATOM 662 O GLU A 44 -11.811 5.965 -7.020 1.00 0.00 O ATOM 663 CB GLU A 44 -12.433 5.704 -3.699 1.00 0.00 C ATOM 664 CG GLU A 44 -13.530 5.127 -2.793 1.00 0.00 C ATOM 665 CD GLU A 44 -14.906 5.196 -3.447 1.00 0.00 C ATOM 666 OE1 GLU A 44 -15.426 6.328 -3.551 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.409 4.120 -3.837 1.00 0.00 O ATOM 0 H GLU A 44 -11.346 3.486 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.160 4.646 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.506 5.791 -3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.713 6.711 -4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.294 4.090 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.548 5.676 -1.851 1.00 0.00 H new ATOM 674 N ILE A 45 -10.025 5.717 -5.679 1.00 0.00 N ATOM 675 CA ILE A 45 -9.077 6.347 -6.588 1.00 0.00 C ATOM 676 C ILE A 45 -9.132 5.656 -7.951 1.00 0.00 C ATOM 677 O ILE A 45 -9.234 6.328 -8.975 1.00 0.00 O ATOM 678 CB ILE A 45 -7.668 6.311 -5.971 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.546 7.235 -4.743 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.568 6.624 -6.992 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.558 8.737 -5.044 1.00 0.00 C ATOM 0 H ILE A 45 -9.608 5.400 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.341 7.393 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.520 5.285 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.366 7.013 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.621 6.994 -4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.595 6.585 -6.502 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.599 5.890 -7.797 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.727 7.621 -7.404 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.467 9.296 -4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.722 8.984 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.494 9.002 -5.536 1.00 0.00 H new ATOM 693 N ALA A 46 -9.072 4.322 -7.969 1.00 0.00 N ATOM 694 CA ALA A 46 -9.132 3.544 -9.195 1.00 0.00 C ATOM 695 C ALA A 46 -10.355 3.952 -10.010 1.00 0.00 C ATOM 696 O ALA A 46 -10.232 4.239 -11.198 1.00 0.00 O ATOM 697 CB ALA A 46 -9.146 2.046 -8.877 1.00 0.00 C ATOM 0 H ALA A 46 -8.980 3.755 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.243 3.747 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.191 1.477 -9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.239 1.781 -8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.017 1.812 -8.266 1.00 0.00 H new ATOM 703 N ASP A 47 -11.526 4.004 -9.370 1.00 0.00 N ATOM 704 CA ASP A 47 -12.755 4.418 -10.035 1.00 0.00 C ATOM 705 C ASP A 47 -12.635 5.858 -10.556 1.00 0.00 C ATOM 706 O ASP A 47 -12.805 6.113 -11.749 1.00 0.00 O ATOM 707 CB ASP A 47 -13.951 4.265 -9.086 1.00 0.00 C ATOM 708 CG ASP A 47 -15.241 4.727 -9.757 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.866 3.882 -10.436 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.572 5.919 -9.590 1.00 0.00 O ATOM 0 H ASP A 47 -11.644 3.762 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.921 3.770 -10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.048 3.223 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.779 4.847 -8.181 1.00 0.00 H new ATOM 715 N GLU A 48 -12.355 6.798 -9.652 1.00 0.00 N ATOM 716 CA GLU A 48 -12.245 8.220 -9.949 1.00 0.00 C ATOM 717 C GLU A 48 -11.320 8.499 -11.136 1.00 0.00 C ATOM 718 O GLU A 48 -11.656 9.301 -12.004 1.00 0.00 O ATOM 719 CB GLU A 48 -11.744 8.962 -8.705 1.00 0.00 C ATOM 720 CG GLU A 48 -12.784 9.016 -7.580 1.00 0.00 C ATOM 721 CD GLU A 48 -12.150 9.556 -6.303 1.00 0.00 C ATOM 722 OE1 GLU A 48 -12.119 10.798 -6.158 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.681 8.717 -5.506 1.00 0.00 O ATOM 0 H GLU A 48 -12.195 6.582 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.236 8.579 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.843 8.473 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.464 9.978 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.619 9.651 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.189 8.020 -7.401 1.00 0.00 H new ATOM 730 N TYR A 49 -10.147 7.863 -11.164 1.00 0.00 N ATOM 731 CA TYR A 49 -9.154 8.082 -12.206 1.00 0.00 C ATOM 732 C TYR A 49 -9.256 7.060 -13.352 1.00 0.00 C ATOM 733 O TYR A 49 -8.278 6.876 -14.078 1.00 0.00 O ATOM 734 CB TYR A 49 -7.743 8.117 -11.594 1.00 0.00 C ATOM 735 CG TYR A 49 -7.403 9.309 -10.708 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.958 9.422 -9.421 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.414 10.229 -11.114 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.539 10.444 -8.553 1.00 0.00 C ATOM 739 CE2 TYR A 49 -5.978 11.238 -10.236 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.539 11.343 -8.952 1.00 0.00 C ATOM 741 OH TYR A 49 -6.125 12.314 -8.086 1.00 0.00 O ATOM 0 H TYR A 49 -9.863 7.181 -10.461 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.361 9.052 -12.658 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.606 7.209 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.019 8.083 -12.409 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.711 8.719 -9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.989 10.158 -12.104 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.988 10.538 -7.575 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.212 11.932 -10.549 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.427 12.855 -8.511 1.00 0.00 H new ATOM 751 N GLN A 50 -10.412 6.413 -13.563 1.00 0.00 N ATOM 752 CA GLN A 50 -10.574 5.475 -14.673 1.00 0.00 C ATOM 753 C GLN A 50 -10.116 6.119 -15.988 1.00 0.00 C ATOM 754 O GLN A 50 -10.528 7.228 -16.321 1.00 0.00 O ATOM 755 CB GLN A 50 -12.039 5.026 -14.783 1.00 0.00 C ATOM 756 CG GLN A 50 -12.300 3.792 -13.914 1.00 0.00 C ATOM 757 CD GLN A 50 -13.784 3.494 -13.745 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.272 2.452 -14.169 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.512 4.398 -13.100 1.00 0.00 N ATOM 0 H GLN A 50 -11.242 6.524 -12.980 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.954 4.599 -14.480 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.697 5.839 -14.474 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.277 4.801 -15.822 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.809 2.928 -14.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.850 3.942 -12.933 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.076 5.255 -12.759 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.507 4.235 -12.945 1.00 0.00 H new ATOM 768 N GLY A 51 -9.230 5.435 -16.719 1.00 0.00 N ATOM 769 CA GLY A 51 -8.693 5.921 -17.984 1.00 0.00 C ATOM 770 C GLY A 51 -7.497 6.860 -17.812 1.00 0.00 C ATOM 771 O GLY A 51 -6.722 7.025 -18.752 1.00 0.00 O ATOM 0 H GLY A 51 -8.866 4.523 -16.443 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.393 5.069 -18.595 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.480 6.442 -18.529 1.00 0.00 H new ATOM 775 N LYS A 52 -7.326 7.468 -16.634 1.00 0.00 N ATOM 776 CA LYS A 52 -6.238 8.392 -16.343 1.00 0.00 C ATOM 777 C LYS A 52 -5.125 7.675 -15.572 1.00 0.00 C ATOM 778 O LYS A 52 -3.946 7.907 -15.832 1.00 0.00 O ATOM 779 CB LYS A 52 -6.776 9.587 -15.544 1.00 0.00 C ATOM 780 CG LYS A 52 -7.901 10.302 -16.306 1.00 0.00 C ATOM 781 CD LYS A 52 -8.313 11.622 -15.638 1.00 0.00 C ATOM 782 CE LYS A 52 -8.949 11.396 -14.261 1.00 0.00 C ATOM 783 NZ LYS A 52 -9.465 12.652 -13.692 1.00 0.00 N ATOM 0 H LYS A 52 -7.955 7.325 -15.844 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.817 8.760 -17.279 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.148 9.245 -14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.966 10.288 -15.343 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.575 10.501 -17.327 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.768 9.644 -16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.438 12.263 -15.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.018 12.149 -16.281 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.761 10.674 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.211 10.965 -13.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.888 12.463 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.685 13.332 -13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.187 13.050 -14.326 1.00 0.00 H new ATOM 797 N LEU A 53 -5.494 6.812 -14.623 1.00 0.00 N ATOM 798 CA LEU A 53 -4.557 6.063 -13.800 1.00 0.00 C ATOM 799 C LEU A 53 -5.126 4.672 -13.555 1.00 0.00 C ATOM 800 O LEU A 53 -6.302 4.535 -13.226 1.00 0.00 O ATOM 801 CB LEU A 53 -4.385 6.789 -12.459 1.00 0.00 C ATOM 802 CG LEU A 53 -3.488 6.081 -11.437 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.007 6.173 -11.811 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.722 6.717 -10.067 1.00 0.00 C ATOM 0 H LEU A 53 -6.471 6.614 -14.405 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.592 5.984 -14.300 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.974 7.780 -12.652 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.370 6.933 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.747 5.022 -11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.409 5.658 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.848 5.707 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.708 7.220 -11.857 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.092 6.226 -9.325 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.472 7.777 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.769 6.602 -9.787 1.00 0.00 H new ATOM 816 N THR A 54 -4.278 3.651 -13.657 1.00 0.00 N ATOM 817 CA THR A 54 -4.633 2.285 -13.314 1.00 0.00 C ATOM 818 C THR A 54 -4.104 2.057 -11.899 1.00 0.00 C ATOM 819 O THR A 54 -3.040 2.566 -11.549 1.00 0.00 O ATOM 820 CB THR A 54 -3.989 1.338 -14.330 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.461 1.656 -15.621 1.00 0.00 O ATOM 822 CG2 THR A 54 -4.274 -0.140 -14.047 1.00 0.00 C ATOM 0 H THR A 54 -3.317 3.755 -13.984 1.00 0.00 H new ATOM 0 HA THR A 54 -5.707 2.102 -13.342 1.00 0.00 H new ATOM 0 HB THR A 54 -2.911 1.477 -14.254 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.051 1.054 -16.277 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.789 -0.756 -14.804 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.887 -0.403 -13.063 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.350 -0.314 -14.072 1.00 0.00 H new ATOM 830 N VAL A 55 -4.824 1.297 -11.078 1.00 0.00 N ATOM 831 CA VAL A 55 -4.407 0.977 -9.723 1.00 0.00 C ATOM 832 C VAL A 55 -4.255 -0.536 -9.667 1.00 0.00 C ATOM 833 O VAL A 55 -5.069 -1.262 -10.242 1.00 0.00 O ATOM 834 CB VAL A 55 -5.434 1.509 -8.715 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.022 1.172 -7.278 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.561 3.035 -8.832 1.00 0.00 C ATOM 0 H VAL A 55 -5.719 0.885 -11.340 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.461 1.449 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.388 1.033 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.768 1.561 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.950 0.090 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.054 1.625 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.294 3.396 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.595 3.497 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.885 3.297 -9.839 1.00 0.00 H new ATOM 846 N ALA A 56 -3.205 -1.019 -9.008 1.00 0.00 N ATOM 847 CA ALA A 56 -2.928 -2.434 -8.922 1.00 0.00 C ATOM 848 C ALA A 56 -2.505 -2.800 -7.507 1.00 0.00 C ATOM 849 O ALA A 56 -1.955 -1.972 -6.785 1.00 0.00 O ATOM 850 CB ALA A 56 -1.857 -2.795 -9.948 1.00 0.00 C ATOM 0 H ALA A 56 -2.527 -0.433 -8.521 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.827 -3.007 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.642 -3.862 -9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.215 -2.551 -10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.948 -2.230 -9.740 1.00 0.00 H new ATOM 856 N LYS A 57 -2.750 -4.049 -7.121 1.00 0.00 N ATOM 857 CA LYS A 57 -2.382 -4.606 -5.835 1.00 0.00 C ATOM 858 C LYS A 57 -1.572 -5.866 -6.094 1.00 0.00 C ATOM 859 O LYS A 57 -1.975 -6.704 -6.898 1.00 0.00 O ATOM 860 CB LYS A 57 -3.630 -4.914 -4.995 1.00 0.00 C ATOM 861 CG LYS A 57 -4.036 -3.719 -4.126 1.00 0.00 C ATOM 862 CD LYS A 57 -5.287 -4.063 -3.307 1.00 0.00 C ATOM 863 CE LYS A 57 -5.653 -2.957 -2.309 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.679 -2.854 -1.208 1.00 0.00 N ATOM 0 H LYS A 57 -3.228 -4.721 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.789 -3.889 -5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.456 -5.182 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.437 -5.778 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.217 -3.450 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.232 -2.851 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.126 -4.231 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.120 -4.995 -2.767 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.709 -2.002 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.643 -3.154 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.035 -2.191 -0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.542 -3.790 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.771 -2.508 -1.579 1.00 0.00 H new ATOM 878 N LEU A 58 -0.435 -6.004 -5.416 1.00 0.00 N ATOM 879 CA LEU A 58 0.434 -7.157 -5.527 1.00 0.00 C ATOM 880 C LEU A 58 0.595 -7.735 -4.128 1.00 0.00 C ATOM 881 O LEU A 58 1.248 -7.138 -3.270 1.00 0.00 O ATOM 882 CB LEU A 58 1.748 -6.732 -6.179 1.00 0.00 C ATOM 883 CG LEU A 58 2.609 -7.952 -6.552 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.410 -7.594 -7.800 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.565 -8.371 -5.428 1.00 0.00 C ATOM 0 H LEU A 58 -0.092 -5.300 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 58 0.023 -7.938 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.539 -6.145 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.303 -6.088 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 58 1.947 -8.800 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.031 -8.442 -8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.727 -7.351 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.045 -6.733 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.146 -9.236 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.239 -7.546 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.990 -8.629 -4.539 1.00 0.00 H new ATOM 897 N ASN A 59 -0.048 -8.876 -3.870 1.00 0.00 N ATOM 898 CA ASN A 59 -0.001 -9.474 -2.548 1.00 0.00 C ATOM 899 C ASN A 59 1.330 -10.198 -2.343 1.00 0.00 C ATOM 900 O ASN A 59 1.517 -11.311 -2.837 1.00 0.00 O ATOM 901 CB ASN A 59 -1.195 -10.395 -2.300 1.00 0.00 C ATOM 902 CG ASN A 59 -1.186 -10.979 -0.888 1.00 0.00 C ATOM 903 OD1 ASN A 59 -1.787 -12.020 -0.656 1.00 0.00 O ATOM 904 ND2 ASN A 59 -0.527 -10.346 0.081 1.00 0.00 N ATOM 0 H ASN A 59 -0.599 -9.394 -4.554 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.069 -8.675 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.120 -9.839 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.184 -11.206 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.520 -10.728 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.029 -9.479 -0.123 1.00 0.00 H new ATOM 911 N ILE A 60 2.245 -9.571 -1.600 1.00 0.00 N ATOM 912 CA ILE A 60 3.574 -10.100 -1.317 1.00 0.00 C ATOM 913 C ILE A 60 3.516 -11.490 -0.682 1.00 0.00 C ATOM 914 O ILE A 60 4.415 -12.293 -0.898 1.00 0.00 O ATOM 915 CB ILE A 60 4.408 -9.113 -0.481 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.912 -8.973 0.971 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.464 -7.739 -1.164 1.00 0.00 C ATOM 918 CD1 ILE A 60 4.727 -9.834 1.944 1.00 0.00 C ATOM 0 H ILE A 60 2.075 -8.662 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 60 4.084 -10.219 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 60 5.413 -9.531 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.972 -7.928 1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.862 -9.261 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.058 -7.055 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.920 -7.841 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.454 -7.344 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.342 -9.704 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.646 -10.883 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.773 -9.529 1.912 1.00 0.00 H new ATOM 930 N ASP A 61 2.466 -11.790 0.091 1.00 0.00 N ATOM 931 CA ASP A 61 2.319 -13.105 0.712 1.00 0.00 C ATOM 932 C ASP A 61 2.339 -14.192 -0.364 1.00 0.00 C ATOM 933 O ASP A 61 3.003 -15.215 -0.220 1.00 0.00 O ATOM 934 CB ASP A 61 1.006 -13.203 1.496 1.00 0.00 C ATOM 935 CG ASP A 61 0.917 -12.215 2.651 1.00 0.00 C ATOM 936 OD1 ASP A 61 1.813 -12.259 3.524 1.00 0.00 O ATOM 937 OD2 ASP A 61 -0.046 -11.414 2.632 1.00 0.00 O ATOM 0 H ASP A 61 1.709 -11.139 0.299 1.00 0.00 H new ATOM 0 HA ASP A 61 3.151 -13.245 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.172 -13.032 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.898 -14.216 1.885 1.00 0.00 H new ATOM 942 N GLN A 62 1.592 -13.956 -1.444 1.00 0.00 N ATOM 943 CA GLN A 62 1.476 -14.867 -2.567 1.00 0.00 C ATOM 944 C GLN A 62 2.661 -14.702 -3.517 1.00 0.00 C ATOM 945 O GLN A 62 3.117 -15.673 -4.116 1.00 0.00 O ATOM 946 CB GLN A 62 0.156 -14.584 -3.293 1.00 0.00 C ATOM 947 CG GLN A 62 -1.036 -14.832 -2.365 1.00 0.00 C ATOM 948 CD GLN A 62 -2.361 -14.541 -3.062 1.00 0.00 C ATOM 949 OE1 GLN A 62 -2.692 -15.162 -4.065 1.00 0.00 O ATOM 950 NE2 GLN A 62 -3.127 -13.584 -2.547 1.00 0.00 N ATOM 0 H GLN A 62 1.041 -13.105 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 62 1.482 -15.896 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.142 -13.552 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.076 -15.221 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.023 -15.867 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.945 -14.204 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.825 -13.084 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.016 -13.350 -2.988 1.00 0.00 H new ATOM 959 N ASN A 63 3.140 -13.464 -3.678 1.00 0.00 N ATOM 960 CA ASN A 63 4.218 -13.123 -4.600 1.00 0.00 C ATOM 961 C ASN A 63 5.373 -12.437 -3.870 1.00 0.00 C ATOM 962 O ASN A 63 5.601 -11.245 -4.072 1.00 0.00 O ATOM 963 CB ASN A 63 3.656 -12.229 -5.710 1.00 0.00 C ATOM 964 CG ASN A 63 2.637 -12.983 -6.552 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.989 -13.628 -7.534 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.361 -12.886 -6.201 1.00 0.00 N ATOM 0 H ASN A 63 2.781 -12.661 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 63 4.619 -14.036 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.189 -11.347 -5.271 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.469 -11.877 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.643 -13.355 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.098 -12.342 -5.379 1.00 0.00 H new ATOM 973 N PRO A 64 6.125 -13.165 -3.030 1.00 0.00 N ATOM 974 CA PRO A 64 7.230 -12.586 -2.287 1.00 0.00 C ATOM 975 C PRO A 64 8.337 -12.121 -3.231 1.00 0.00 C ATOM 976 O PRO A 64 8.899 -11.048 -3.033 1.00 0.00 O ATOM 977 CB PRO A 64 7.694 -13.681 -1.321 1.00 0.00 C ATOM 978 CG PRO A 64 7.252 -14.981 -1.994 1.00 0.00 C ATOM 979 CD PRO A 64 5.963 -14.575 -2.710 1.00 0.00 C ATOM 0 HA PRO A 64 6.936 -11.693 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.774 -13.654 -1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.238 -13.565 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.003 -15.350 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.077 -15.773 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.812 -15.168 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.093 -14.736 -2.073 1.00 0.00 H new ATOM 987 N GLY A 65 8.647 -12.927 -4.254 1.00 0.00 N ATOM 988 CA GLY A 65 9.692 -12.679 -5.239 1.00 0.00 C ATOM 989 C GLY A 65 9.776 -11.232 -5.735 1.00 0.00 C ATOM 990 O GLY A 65 10.872 -10.705 -5.911 1.00 0.00 O ATOM 0 H GLY A 65 8.153 -13.804 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.653 -12.956 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.527 -13.333 -6.095 1.00 0.00 H new ATOM 994 N THR A 66 8.638 -10.582 -5.979 1.00 0.00 N ATOM 995 CA THR A 66 8.618 -9.221 -6.494 1.00 0.00 C ATOM 996 C THR A 66 9.144 -8.189 -5.483 1.00 0.00 C ATOM 997 O THR A 66 9.604 -7.121 -5.881 1.00 0.00 O ATOM 998 CB THR A 66 7.201 -8.900 -7.003 1.00 0.00 C ATOM 999 OG1 THR A 66 6.553 -10.098 -7.381 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.249 -7.985 -8.230 1.00 0.00 C ATOM 0 H THR A 66 7.713 -10.984 -5.825 1.00 0.00 H new ATOM 0 HA THR A 66 9.312 -9.153 -7.331 1.00 0.00 H new ATOM 0 HB THR A 66 6.663 -8.400 -6.198 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.097 -10.568 -8.047 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.234 -7.775 -8.567 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.745 -7.050 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.803 -8.477 -9.030 1.00 0.00 H new ATOM 1008 N ALA A 67 9.097 -8.485 -4.178 1.00 0.00 N ATOM 1009 CA ALA A 67 9.566 -7.566 -3.147 1.00 0.00 C ATOM 1010 C ALA A 67 11.045 -7.174 -3.317 1.00 0.00 C ATOM 1011 O ALA A 67 11.321 -5.989 -3.519 1.00 0.00 O ATOM 1012 CB ALA A 67 9.223 -8.092 -1.747 1.00 0.00 C ATOM 0 H ALA A 67 8.734 -9.366 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 67 9.024 -6.629 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.583 -7.389 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.142 -8.201 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.699 -9.061 -1.595 1.00 0.00 H new ATOM 1018 N PRO A 68 12.012 -8.109 -3.251 1.00 0.00 N ATOM 1019 CA PRO A 68 13.419 -7.780 -3.427 1.00 0.00 C ATOM 1020 C PRO A 68 13.690 -7.181 -4.808 1.00 0.00 C ATOM 1021 O PRO A 68 14.497 -6.261 -4.908 1.00 0.00 O ATOM 1022 CB PRO A 68 14.199 -9.076 -3.196 1.00 0.00 C ATOM 1023 CG PRO A 68 13.175 -10.167 -3.499 1.00 0.00 C ATOM 1024 CD PRO A 68 11.875 -9.535 -3.008 1.00 0.00 C ATOM 0 HA PRO A 68 13.733 -7.014 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.066 -9.145 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.568 -9.145 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.136 -10.405 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.401 -11.095 -2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.016 -9.942 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.717 -9.738 -1.949 1.00 0.00 H new ATOM 1032 N LYS A 69 13.020 -7.665 -5.867 1.00 0.00 N ATOM 1033 CA LYS A 69 13.214 -7.142 -7.220 1.00 0.00 C ATOM 1034 C LYS A 69 13.091 -5.616 -7.271 1.00 0.00 C ATOM 1035 O LYS A 69 13.822 -4.974 -8.020 1.00 0.00 O ATOM 1036 CB LYS A 69 12.235 -7.784 -8.211 1.00 0.00 C ATOM 1037 CG LYS A 69 12.553 -9.260 -8.465 1.00 0.00 C ATOM 1038 CD LYS A 69 11.570 -9.833 -9.494 1.00 0.00 C ATOM 1039 CE LYS A 69 11.760 -11.345 -9.640 1.00 0.00 C ATOM 1040 NZ LYS A 69 10.775 -11.917 -10.575 1.00 0.00 N ATOM 0 H LYS A 69 12.338 -8.421 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 69 14.230 -7.405 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.219 -7.694 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.267 -7.240 -9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.576 -9.364 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.487 -9.821 -7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.547 -9.618 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.721 -9.348 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.768 -11.555 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.661 -11.823 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.825 -12.955 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.820 -11.607 -10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.984 -11.593 -11.541 1.00 0.00 H new ATOM 1054 N TYR A 70 12.181 -5.042 -6.476 1.00 0.00 N ATOM 1055 CA TYR A 70 11.984 -3.598 -6.410 1.00 0.00 C ATOM 1056 C TYR A 70 12.404 -3.038 -5.050 1.00 0.00 C ATOM 1057 O TYR A 70 12.060 -1.905 -4.713 1.00 0.00 O ATOM 1058 CB TYR A 70 10.533 -3.278 -6.783 1.00 0.00 C ATOM 1059 CG TYR A 70 10.266 -3.569 -8.245 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.751 -2.681 -9.224 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.850 -4.858 -8.623 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.870 -3.097 -10.561 1.00 0.00 C ATOM 1063 CE2 TYR A 70 10.011 -5.291 -9.948 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.561 -4.425 -10.905 1.00 0.00 C ATOM 1065 OH TYR A 70 10.800 -4.883 -12.166 1.00 0.00 O ATOM 0 H TYR A 70 11.562 -5.570 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 70 12.630 -3.099 -7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.857 -3.867 -6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.324 -2.229 -6.574 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.033 -1.676 -8.946 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.405 -5.517 -7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.197 -2.401 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.712 -6.290 -10.231 1.00 0.00 H new ATOM 0 HH TYR A 70 10.528 -5.822 -12.230 1.00 0.00 H new ATOM 1075 N GLY A 71 13.172 -3.816 -4.280 1.00 0.00 N ATOM 1076 CA GLY A 71 13.690 -3.446 -2.975 1.00 0.00 C ATOM 1077 C GLY A 71 12.615 -2.878 -2.053 1.00 0.00 C ATOM 1078 O GLY A 71 12.856 -1.869 -1.394 1.00 0.00 O ATOM 0 H GLY A 71 13.456 -4.753 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.140 -4.321 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.483 -2.708 -3.099 1.00 0.00 H new ATOM 1082 N ILE A 72 11.429 -3.499 -2.016 1.00 0.00 N ATOM 1083 CA ILE A 72 10.327 -3.054 -1.159 1.00 0.00 C ATOM 1084 C ILE A 72 10.840 -2.717 0.249 1.00 0.00 C ATOM 1085 O ILE A 72 11.409 -3.560 0.935 1.00 0.00 O ATOM 1086 CB ILE A 72 9.173 -4.077 -1.190 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.168 -3.739 -2.306 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.399 -4.170 0.134 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.787 -3.548 -3.692 1.00 0.00 C ATOM 0 H ILE A 72 11.209 -4.321 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 72 9.907 -2.126 -1.546 1.00 0.00 H new ATOM 0 HB ILE A 72 9.651 -5.039 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.427 -4.536 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.636 -2.828 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.603 -4.908 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.078 -4.469 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.966 -3.198 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.003 -3.313 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.506 -2.730 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.294 -4.465 -3.994 1.00 0.00 H new ATOM 1101 N ARG A 73 10.668 -1.447 0.634 1.00 0.00 N ATOM 1102 CA ARG A 73 11.181 -0.891 1.874 1.00 0.00 C ATOM 1103 C ARG A 73 10.290 -1.268 3.058 1.00 0.00 C ATOM 1104 O ARG A 73 10.780 -1.711 4.094 1.00 0.00 O ATOM 1105 CB ARG A 73 11.309 0.633 1.733 1.00 0.00 C ATOM 1106 CG ARG A 73 12.118 1.082 0.501 1.00 0.00 C ATOM 1107 CD ARG A 73 11.222 1.638 -0.617 1.00 0.00 C ATOM 1108 NE ARG A 73 11.985 2.145 -1.767 1.00 0.00 N ATOM 1109 CZ ARG A 73 12.173 1.470 -2.911 1.00 0.00 C ATOM 1110 NH1 ARG A 73 12.019 0.144 -2.942 1.00 0.00 N ATOM 1111 NH2 ARG A 73 12.516 2.126 -4.022 1.00 0.00 N ATOM 0 H ARG A 73 10.155 -0.768 0.072 1.00 0.00 H new ATOM 0 HA ARG A 73 12.167 -1.311 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.311 1.068 1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.781 1.032 2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.837 1.845 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.690 0.237 0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.544 0.854 -0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.605 2.442 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 73 12.400 3.074 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.758 -0.359 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.163 -0.366 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.635 3.139 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.659 1.614 -4.893 1.00 0.00 H new ATOM 1125 N GLY A 74 8.977 -1.083 2.908 1.00 0.00 N ATOM 1126 CA GLY A 74 7.994 -1.390 3.929 1.00 0.00 C ATOM 1127 C GLY A 74 6.624 -1.360 3.272 1.00 0.00 C ATOM 1128 O GLY A 74 6.388 -0.537 2.388 1.00 0.00 O ATOM 0 H GLY A 74 8.567 -0.707 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.188 -2.370 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.045 -0.664 4.741 1.00 0.00 H new ATOM 1132 N ILE A 75 5.736 -2.269 3.666 1.00 0.00 N ATOM 1133 CA ILE A 75 4.402 -2.390 3.094 1.00 0.00 C ATOM 1134 C ILE A 75 3.386 -1.573 3.909 1.00 0.00 C ATOM 1135 O ILE A 75 3.537 -1.488 5.128 1.00 0.00 O ATOM 1136 CB ILE A 75 4.003 -3.871 2.982 1.00 0.00 C ATOM 1137 CG1 ILE A 75 4.192 -4.620 4.312 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.809 -4.549 1.865 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.524 -5.989 4.272 1.00 0.00 C ATOM 0 H ILE A 75 5.927 -2.950 4.401 1.00 0.00 H new ATOM 0 HA ILE A 75 4.407 -1.976 2.086 1.00 0.00 H new ATOM 0 HB ILE A 75 2.942 -3.911 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.256 -4.737 4.519 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.772 -4.031 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.520 -5.598 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.607 -4.051 0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.873 -4.481 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.674 -6.495 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.456 -5.868 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.963 -6.585 3.472 1.00 0.00 H new ATOM 1151 N PRO A 76 2.350 -0.980 3.290 1.00 0.00 N ATOM 1152 CA PRO A 76 2.059 -0.977 1.860 1.00 0.00 C ATOM 1153 C PRO A 76 3.094 -0.134 1.105 1.00 0.00 C ATOM 1154 O PRO A 76 3.398 0.979 1.534 1.00 0.00 O ATOM 1155 CB PRO A 76 0.665 -0.348 1.728 1.00 0.00 C ATOM 1156 CG PRO A 76 0.543 0.534 2.970 1.00 0.00 C ATOM 1157 CD PRO A 76 1.337 -0.238 4.020 1.00 0.00 C ATOM 0 HA PRO A 76 2.095 -1.982 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.575 0.236 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.116 -1.108 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.957 1.528 2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.497 0.669 3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.794 0.440 4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.689 -0.911 4.582 1.00 0.00 H new ATOM 1165 N THR A 77 3.635 -0.653 -0.003 1.00 0.00 N ATOM 1166 CA THR A 77 4.611 0.072 -0.810 1.00 0.00 C ATOM 1167 C THR A 77 3.922 0.445 -2.117 1.00 0.00 C ATOM 1168 O THR A 77 3.607 -0.436 -2.915 1.00 0.00 O ATOM 1169 CB THR A 77 5.865 -0.769 -1.098 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.094 -1.693 -0.058 1.00 0.00 O ATOM 1171 CG2 THR A 77 7.088 0.149 -1.203 1.00 0.00 C ATOM 0 H THR A 77 3.408 -1.581 -0.360 1.00 0.00 H new ATOM 0 HA THR A 77 4.948 0.955 -0.267 1.00 0.00 H new ATOM 0 HB THR A 77 5.707 -1.305 -2.034 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.065 -1.229 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.976 -0.450 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.938 0.864 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.221 0.687 -0.264 1.00 0.00 H new ATOM 1179 N LEU A 78 3.684 1.734 -2.331 1.00 0.00 N ATOM 1180 CA LEU A 78 3.034 2.244 -3.523 1.00 0.00 C ATOM 1181 C LEU A 78 4.133 2.627 -4.512 1.00 0.00 C ATOM 1182 O LEU A 78 4.941 3.498 -4.197 1.00 0.00 O ATOM 1183 CB LEU A 78 2.180 3.466 -3.152 1.00 0.00 C ATOM 1184 CG LEU A 78 1.231 3.244 -1.965 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.655 4.588 -1.516 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.097 2.283 -2.327 1.00 0.00 C ATOM 0 H LEU A 78 3.944 2.463 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 78 2.377 1.498 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.843 4.300 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.591 3.759 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 78 1.800 2.795 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.019 4.432 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.467 5.249 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.106 5.042 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.555 2.149 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.478 2.695 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.516 1.320 -2.619 1.00 0.00 H new ATOM 1198 N LEU A 79 4.194 1.990 -5.682 1.00 0.00 N ATOM 1199 CA LEU A 79 5.155 2.277 -6.740 1.00 0.00 C ATOM 1200 C LEU A 79 4.341 2.722 -7.951 1.00 0.00 C ATOM 1201 O LEU A 79 3.561 1.936 -8.487 1.00 0.00 O ATOM 1202 CB LEU A 79 5.989 1.036 -7.095 1.00 0.00 C ATOM 1203 CG LEU A 79 7.202 0.807 -6.177 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.812 0.302 -4.783 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.157 -0.208 -6.813 1.00 0.00 C ATOM 0 H LEU A 79 3.553 1.235 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 79 5.857 3.046 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.346 0.157 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.338 1.129 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 79 7.685 1.777 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.711 0.160 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.165 1.033 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.283 -0.647 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.013 -0.364 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.636 -1.154 -6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.502 0.171 -7.775 1.00 0.00 H new ATOM 1217 N LEU A 80 4.505 3.972 -8.378 1.00 0.00 N ATOM 1218 CA LEU A 80 3.774 4.513 -9.509 1.00 0.00 C ATOM 1219 C LEU A 80 4.581 4.251 -10.776 1.00 0.00 C ATOM 1220 O LEU A 80 5.483 5.012 -11.118 1.00 0.00 O ATOM 1221 CB LEU A 80 3.470 5.984 -9.236 1.00 0.00 C ATOM 1222 CG LEU A 80 2.631 6.691 -10.316 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.657 5.795 -11.090 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.785 7.748 -9.609 1.00 0.00 C ATOM 0 H LEU A 80 5.150 4.634 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 80 2.809 4.028 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.945 6.059 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.413 6.519 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 80 3.343 7.079 -11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.118 6.393 -11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.213 5.009 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.947 5.345 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.173 8.274 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.139 7.266 -8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.439 8.459 -9.104 1.00 0.00 H new ATOM 1236 N PHE A 81 4.248 3.157 -11.462 1.00 0.00 N ATOM 1237 CA PHE A 81 4.903 2.719 -12.679 1.00 0.00 C ATOM 1238 C PHE A 81 4.298 3.428 -13.889 1.00 0.00 C ATOM 1239 O PHE A 81 3.185 3.093 -14.283 1.00 0.00 O ATOM 1240 CB PHE A 81 4.744 1.200 -12.826 1.00 0.00 C ATOM 1241 CG PHE A 81 5.777 0.400 -12.058 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.535 0.010 -10.730 1.00 0.00 C ATOM 1243 CD2 PHE A 81 6.974 0.020 -12.690 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.456 -0.814 -10.062 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.906 -0.785 -12.018 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.650 -1.196 -10.699 1.00 0.00 C ATOM 0 H PHE A 81 3.491 2.538 -11.171 1.00 0.00 H new ATOM 0 HA PHE A 81 5.963 2.968 -12.625 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.749 0.913 -12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.807 0.938 -13.882 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.642 0.343 -10.223 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.177 0.350 -13.698 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.247 -1.154 -9.059 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.817 -1.088 -12.513 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.371 -1.806 -10.174 1.00 0.00 H new ATOM 1256 N LYS A 82 5.035 4.353 -14.502 1.00 0.00 N ATOM 1257 CA LYS A 82 4.651 5.026 -15.733 1.00 0.00 C ATOM 1258 C LYS A 82 5.531 4.473 -16.852 1.00 0.00 C ATOM 1259 O LYS A 82 6.757 4.518 -16.750 1.00 0.00 O ATOM 1260 CB LYS A 82 4.805 6.546 -15.618 1.00 0.00 C ATOM 1261 CG LYS A 82 3.775 7.142 -14.652 1.00 0.00 C ATOM 1262 CD LYS A 82 3.835 8.678 -14.637 1.00 0.00 C ATOM 1263 CE LYS A 82 3.133 9.299 -15.856 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.334 10.757 -15.905 1.00 0.00 N ATOM 0 H LYS A 82 5.939 4.660 -14.143 1.00 0.00 H new ATOM 0 HA LYS A 82 3.598 4.839 -15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.811 6.786 -15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.689 7.000 -16.602 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.775 6.819 -14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.955 6.761 -13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.370 9.049 -13.724 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.876 8.999 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.518 8.846 -16.770 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.066 9.078 -15.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.634 11.183 -16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.217 11.156 -14.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.292 10.964 -16.252 1.00 0.00 H new ATOM 1278 N ASN A 83 4.921 3.924 -17.907 1.00 0.00 N ATOM 1279 CA ASN A 83 5.649 3.354 -19.040 1.00 0.00 C ATOM 1280 C ASN A 83 6.688 2.341 -18.540 1.00 0.00 C ATOM 1281 O ASN A 83 7.856 2.379 -18.924 1.00 0.00 O ATOM 1282 CB ASN A 83 6.260 4.478 -19.894 1.00 0.00 C ATOM 1283 CG ASN A 83 6.592 4.024 -21.316 1.00 0.00 C ATOM 1284 OD1 ASN A 83 5.954 4.454 -22.270 1.00 0.00 O ATOM 1285 ND2 ASN A 83 7.584 3.158 -21.489 1.00 0.00 N ATOM 0 H ASN A 83 3.907 3.863 -17.998 1.00 0.00 H new ATOM 0 HA ASN A 83 4.964 2.807 -19.688 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.563 5.315 -19.938 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.167 4.843 -19.412 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.826 2.840 -22.428 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.104 2.811 -20.683 1.00 0.00 H new ATOM 1292 N GLY A 84 6.267 1.443 -17.647 1.00 0.00 N ATOM 1293 CA GLY A 84 7.134 0.425 -17.074 1.00 0.00 C ATOM 1294 C GLY A 84 8.230 0.938 -16.136 1.00 0.00 C ATOM 1295 O GLY A 84 8.935 0.111 -15.559 1.00 0.00 O ATOM 0 H GLY A 84 5.308 1.406 -17.302 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.516 -0.286 -16.526 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.606 -0.124 -17.888 1.00 0.00 H new ATOM 1299 N GLU A 85 8.381 2.255 -15.937 1.00 0.00 N ATOM 1300 CA GLU A 85 9.400 2.816 -15.056 1.00 0.00 C ATOM 1301 C GLU A 85 8.759 3.458 -13.834 1.00 0.00 C ATOM 1302 O GLU A 85 7.703 4.077 -13.925 1.00 0.00 O ATOM 1303 CB GLU A 85 10.240 3.851 -15.811 1.00 0.00 C ATOM 1304 CG GLU A 85 11.000 3.227 -16.987 1.00 0.00 C ATOM 1305 CD GLU A 85 11.933 2.091 -16.569 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.615 2.264 -15.535 1.00 0.00 O ATOM 1307 OE2 GLU A 85 11.951 1.072 -17.293 1.00 0.00 O ATOM 0 H GLU A 85 7.795 2.958 -16.387 1.00 0.00 H new ATOM 0 HA GLU A 85 10.049 2.006 -14.722 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.591 4.645 -16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.950 4.312 -15.124 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.282 2.849 -17.715 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.583 4.001 -17.486 1.00 0.00 H new ATOM 1314 N VAL A 86 9.416 3.331 -12.684 1.00 0.00 N ATOM 1315 CA VAL A 86 8.930 3.914 -11.441 1.00 0.00 C ATOM 1316 C VAL A 86 9.086 5.435 -11.527 1.00 0.00 C ATOM 1317 O VAL A 86 10.205 5.942 -11.499 1.00 0.00 O ATOM 1318 CB VAL A 86 9.679 3.317 -10.235 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.139 3.897 -8.919 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.515 1.792 -10.192 1.00 0.00 C ATOM 0 H VAL A 86 10.296 2.823 -12.590 1.00 0.00 H new ATOM 0 HA VAL A 86 7.875 3.679 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 86 10.733 3.572 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.682 3.462 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.273 4.979 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.079 3.662 -8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.052 1.392 -9.332 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.457 1.542 -10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.918 1.357 -11.106 1.00 0.00 H new ATOM 1330 N ALA A 87 7.971 6.162 -11.616 1.00 0.00 N ATOM 1331 CA ALA A 87 7.967 7.617 -11.679 1.00 0.00 C ATOM 1332 C ALA A 87 8.169 8.174 -10.273 1.00 0.00 C ATOM 1333 O ALA A 87 8.926 9.122 -10.073 1.00 0.00 O ATOM 1334 CB ALA A 87 6.637 8.100 -12.261 1.00 0.00 C ATOM 0 H ALA A 87 7.039 5.749 -11.646 1.00 0.00 H new ATOM 0 HA ALA A 87 8.775 7.967 -12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.634 9.189 -12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.510 7.693 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.818 7.762 -11.626 1.00 0.00 H new ATOM 1340 N ALA A 88 7.507 7.557 -9.291 1.00 0.00 N ATOM 1341 CA ALA A 88 7.616 7.901 -7.888 1.00 0.00 C ATOM 1342 C ALA A 88 7.171 6.692 -7.081 1.00 0.00 C ATOM 1343 O ALA A 88 6.614 5.737 -7.631 1.00 0.00 O ATOM 1344 CB ALA A 88 6.749 9.119 -7.552 1.00 0.00 C ATOM 0 H ALA A 88 6.865 6.784 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 88 8.646 8.163 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.849 9.356 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.074 9.972 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.706 8.896 -7.777 1.00 0.00 H new ATOM 1350 N THR A 89 7.395 6.741 -5.771 1.00 0.00 N ATOM 1351 CA THR A 89 6.998 5.689 -4.862 1.00 0.00 C ATOM 1352 C THR A 89 6.716 6.319 -3.501 1.00 0.00 C ATOM 1353 O THR A 89 7.140 7.446 -3.245 1.00 0.00 O ATOM 1354 CB THR A 89 8.061 4.576 -4.826 1.00 0.00 C ATOM 1355 OG1 THR A 89 7.661 3.523 -3.976 1.00 0.00 O ATOM 1356 CG2 THR A 89 9.435 5.075 -4.365 1.00 0.00 C ATOM 0 H THR A 89 7.863 7.524 -5.313 1.00 0.00 H new ATOM 0 HA THR A 89 6.084 5.200 -5.198 1.00 0.00 H new ATOM 0 HB THR A 89 8.152 4.223 -5.853 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.693 3.390 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.141 4.245 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.789 5.848 -5.047 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.354 5.487 -3.359 1.00 0.00 H new ATOM 1364 N LYS A 90 5.982 5.599 -2.654 1.00 0.00 N ATOM 1365 CA LYS A 90 5.599 6.019 -1.323 1.00 0.00 C ATOM 1366 C LYS A 90 5.530 4.761 -0.462 1.00 0.00 C ATOM 1367 O LYS A 90 4.923 3.767 -0.857 1.00 0.00 O ATOM 1368 CB LYS A 90 4.264 6.773 -1.393 1.00 0.00 C ATOM 1369 CG LYS A 90 3.598 6.984 -0.028 1.00 0.00 C ATOM 1370 CD LYS A 90 4.430 7.872 0.903 1.00 0.00 C ATOM 1371 CE LYS A 90 3.654 8.233 2.173 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.260 7.036 2.935 1.00 0.00 N ATOM 0 H LYS A 90 5.628 4.673 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 90 6.318 6.708 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.430 7.744 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.580 6.222 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.616 7.435 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.437 6.016 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.352 7.356 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.717 8.784 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.267 8.878 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.764 8.802 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.752 7.324 3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.640 6.440 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.110 6.497 3.199 1.00 0.00 H new ATOM 1386 N VAL A 91 6.165 4.814 0.708 1.00 0.00 N ATOM 1387 CA VAL A 91 6.221 3.732 1.672 1.00 0.00 C ATOM 1388 C VAL A 91 5.220 4.076 2.773 1.00 0.00 C ATOM 1389 O VAL A 91 5.331 5.137 3.387 1.00 0.00 O ATOM 1390 CB VAL A 91 7.650 3.625 2.234 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.867 2.299 2.968 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.695 3.716 1.119 1.00 0.00 C ATOM 0 H VAL A 91 6.671 5.645 1.015 1.00 0.00 H new ATOM 0 HA VAL A 91 5.971 2.771 1.223 1.00 0.00 H new ATOM 0 HB VAL A 91 7.767 4.458 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.887 2.258 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.164 2.223 3.798 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.705 1.471 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.694 3.637 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.541 2.904 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.596 4.672 0.605 1.00 0.00 H new ATOM 1402 N GLY A 92 4.240 3.208 3.012 1.00 0.00 N ATOM 1403 CA GLY A 92 3.219 3.425 4.024 1.00 0.00 C ATOM 1404 C GLY A 92 1.960 4.067 3.442 1.00 0.00 C ATOM 1405 O GLY A 92 1.923 4.469 2.279 1.00 0.00 O ATOM 0 H GLY A 92 4.135 2.330 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.959 2.473 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.620 4.063 4.812 1.00 0.00 H new ATOM 1409 N ALA A 93 0.915 4.140 4.270 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.384 4.681 3.896 1.00 0.00 C ATOM 1411 C ALA A 93 -0.334 6.181 3.583 1.00 0.00 C ATOM 1412 O ALA A 93 0.611 6.878 3.951 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.383 4.395 5.022 1.00 0.00 C ATOM 0 H ALA A 93 0.954 3.817 5.237 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.703 4.190 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.360 4.796 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.462 3.318 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.039 4.867 5.942 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.390 6.670 2.927 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.591 8.060 2.546 1.00 0.00 C ATOM 1421 C LEU A 94 -3.030 8.440 2.874 1.00 0.00 C ATOM 1422 O LEU A 94 -3.920 7.592 2.804 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.435 8.205 1.024 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.024 8.581 0.566 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.151 8.216 -0.909 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.138 10.099 0.669 1.00 0.00 C ATOM 0 H LEU A 94 -2.163 6.072 2.635 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.870 8.686 3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.719 7.265 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.133 8.964 0.670 1.00 0.00 H new ATOM 0 HG LEU A 94 0.703 8.055 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.156 8.484 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.002 7.144 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.580 8.759 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.140 10.381 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.600 10.588 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.011 10.411 1.703 1.00 0.00 H new ATOM 1438 N SER A 95 -3.269 9.724 3.143 1.00 0.00 N ATOM 1439 CA SER A 95 -4.608 10.257 3.281 1.00 0.00 C ATOM 1440 C SER A 95 -5.105 10.513 1.852 1.00 0.00 C ATOM 1441 O SER A 95 -4.305 10.773 0.952 1.00 0.00 O ATOM 1442 CB SER A 95 -4.551 11.532 4.125 1.00 0.00 C ATOM 1443 OG SER A 95 -3.474 12.343 3.698 1.00 0.00 O ATOM 0 H SER A 95 -2.532 10.418 3.270 1.00 0.00 H new ATOM 0 HA SER A 95 -5.293 9.579 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.489 12.080 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.431 11.277 5.178 1.00 0.00 H new ATOM 0 HG SER A 95 -2.675 12.130 4.225 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.418 10.412 1.626 1.00 0.00 N ATOM 1450 CA LYS A 96 -6.990 10.557 0.294 1.00 0.00 C ATOM 1451 C LYS A 96 -6.492 11.820 -0.418 1.00 0.00 C ATOM 1452 O LYS A 96 -6.063 11.749 -1.565 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.521 10.486 0.368 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.111 10.283 -1.032 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.617 10.002 -0.949 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.202 9.699 -2.332 1.00 0.00 C ATOM 1457 NZ LYS A 96 -10.614 8.484 -2.919 1.00 0.00 N ATOM 0 H LYS A 96 -7.105 10.229 2.357 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.645 9.724 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.823 9.666 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.914 11.403 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.934 11.171 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.608 9.453 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.796 9.158 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.127 10.863 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.282 9.578 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.025 10.546 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.094 8.264 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.601 8.640 -3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.731 7.688 -2.259 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.533 12.969 0.264 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.073 14.231 -0.300 1.00 0.00 C ATOM 1473 C GLY A 97 -4.630 14.123 -0.798 1.00 0.00 C ATOM 1474 O GLY A 97 -4.355 14.346 -1.976 1.00 0.00 O ATOM 0 H GLY A 97 -6.885 13.045 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.724 14.522 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.142 15.016 0.453 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.710 13.753 0.097 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.301 13.599 -0.235 1.00 0.00 C ATOM 1480 C GLN A 98 -2.124 12.623 -1.394 1.00 0.00 C ATOM 1481 O GLN A 98 -1.326 12.875 -2.293 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.529 13.140 1.005 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.521 14.178 2.133 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.593 15.357 1.848 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.541 15.378 2.315 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.047 16.353 1.092 1.00 0.00 N ATOM 0 H GLN A 98 -3.927 13.553 1.073 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.900 14.560 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.968 12.214 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.501 12.914 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.535 14.549 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.214 13.696 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.993 16.315 0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.449 17.154 0.891 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.871 11.517 -1.393 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.802 10.551 -2.473 1.00 0.00 C ATOM 1497 C LEU A 99 -3.215 11.217 -3.790 1.00 0.00 C ATOM 1498 O LEU A 99 -2.463 11.158 -4.760 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.638 9.315 -2.115 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.672 8.212 -3.182 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.285 7.749 -3.648 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.384 7.006 -2.562 1.00 0.00 C ATOM 0 H LEU A 99 -3.529 11.275 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.779 10.201 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.249 8.890 -1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.661 9.635 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.179 8.619 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.396 6.969 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.745 8.593 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.728 7.356 -2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.430 6.196 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.834 6.672 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.395 7.290 -2.272 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.368 11.889 -3.833 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.805 12.587 -5.038 1.00 0.00 C ATOM 1516 C LYS A 100 -3.740 13.582 -5.510 1.00 0.00 C ATOM 1517 O LYS A 100 -3.424 13.622 -6.698 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.157 13.279 -4.821 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.292 12.255 -4.690 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.676 12.923 -4.660 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.365 12.932 -6.031 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.563 13.609 -7.067 1.00 0.00 N ATOM 0 H LYS A 100 -5.013 11.963 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.940 11.844 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.113 13.894 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.363 13.949 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.246 11.556 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.151 11.674 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.310 12.401 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.571 13.948 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.560 11.906 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.332 13.428 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.154 13.783 -7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.212 14.515 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.757 13.007 -7.330 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.178 14.370 -4.587 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.125 15.333 -4.893 1.00 0.00 C ATOM 1538 C GLU A 101 -0.922 14.622 -5.526 1.00 0.00 C ATOM 1539 O GLU A 101 -0.470 15.000 -6.605 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.713 16.083 -3.619 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.822 17.006 -3.091 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.505 17.483 -1.676 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.651 18.387 -1.561 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.101 16.920 -0.728 1.00 0.00 O ATOM 0 H GLU A 101 -3.445 14.354 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.504 16.060 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.448 15.361 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.820 16.674 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.932 17.865 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.775 16.476 -3.096 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.412 13.587 -4.856 1.00 0.00 N ATOM 1552 CA PHE A 102 0.715 12.774 -5.305 1.00 0.00 C ATOM 1553 C PHE A 102 0.463 12.262 -6.724 1.00 0.00 C ATOM 1554 O PHE A 102 1.300 12.411 -7.618 1.00 0.00 O ATOM 1555 CB PHE A 102 0.910 11.625 -4.304 1.00 0.00 C ATOM 1556 CG PHE A 102 1.947 10.576 -4.668 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.278 10.715 -4.227 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.536 9.369 -5.265 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.166 9.626 -4.313 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.428 8.286 -5.362 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.730 8.402 -4.849 1.00 0.00 C ATOM 0 H PHE A 102 -0.786 13.283 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 102 1.629 13.368 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.184 12.055 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.049 11.124 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.617 11.657 -3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.531 9.274 -5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.184 9.731 -3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.112 7.366 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.396 7.552 -4.866 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.708 11.662 -6.940 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.089 11.135 -8.238 1.00 0.00 C ATOM 1573 C LEU A 103 -1.116 12.250 -9.278 1.00 0.00 C ATOM 1574 O LEU A 103 -0.488 12.117 -10.323 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.441 10.424 -8.140 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.346 9.163 -7.275 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.746 8.596 -7.048 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.402 8.124 -7.887 1.00 0.00 C ATOM 0 H LEU A 103 -1.415 11.531 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.347 10.404 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.181 11.103 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.787 10.157 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.917 9.431 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.680 7.699 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.362 9.339 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.197 8.345 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.362 7.245 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.768 7.836 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.403 8.550 -7.981 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.810 13.354 -8.994 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.878 14.490 -9.902 1.00 0.00 C ATOM 1592 C ASP A 104 -0.470 14.951 -10.286 1.00 0.00 C ATOM 1593 O ASP A 104 -0.170 15.108 -11.468 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.679 15.628 -9.258 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.755 16.830 -10.192 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.614 16.787 -11.098 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.951 17.763 -9.983 1.00 0.00 O ATOM 0 H ASP A 104 -2.337 13.481 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.390 14.187 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.685 15.282 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.212 15.921 -8.318 1.00 0.00 H new ATOM 1602 N ALA A 105 0.396 15.138 -9.287 1.00 0.00 N ATOM 1603 CA ALA A 105 1.776 15.552 -9.481 1.00 0.00 C ATOM 1604 C ALA A 105 2.538 14.580 -10.388 1.00 0.00 C ATOM 1605 O ALA A 105 3.378 15.010 -11.175 1.00 0.00 O ATOM 1606 CB ALA A 105 2.470 15.692 -8.123 1.00 0.00 C ATOM 0 H ALA A 105 0.148 15.002 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 105 1.775 16.520 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.504 16.002 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.950 16.440 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.451 14.734 -7.604 1.00 0.00 H new ATOM 1612 N ASN A 106 2.249 13.279 -10.298 1.00 0.00 N ATOM 1613 CA ASN A 106 2.927 12.281 -11.120 1.00 0.00 C ATOM 1614 C ASN A 106 2.352 12.270 -12.534 1.00 0.00 C ATOM 1615 O ASN A 106 3.100 12.190 -13.503 1.00 0.00 O ATOM 1616 CB ASN A 106 2.787 10.882 -10.514 1.00 0.00 C ATOM 1617 CG ASN A 106 3.870 10.594 -9.485 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.865 9.952 -9.806 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.684 11.041 -8.247 1.00 0.00 N ATOM 0 H ASN A 106 1.549 12.895 -9.663 1.00 0.00 H new ATOM 0 HA ASN A 106 3.983 12.550 -11.157 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.808 10.787 -10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.834 10.137 -11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.382 10.853 -7.527 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.844 11.572 -8.017 1.00 0.00 H new ATOM 1626 N LEU A 107 1.026 12.328 -12.664 1.00 0.00 N ATOM 1627 CA LEU A 107 0.351 12.320 -13.950 1.00 0.00 C ATOM 1628 C LEU A 107 0.750 13.557 -14.755 1.00 0.00 C ATOM 1629 O LEU A 107 1.077 13.449 -15.935 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.165 12.255 -13.726 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.631 10.902 -13.161 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.042 11.047 -12.584 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.635 9.807 -14.235 1.00 0.00 C ATOM 0 H LEU A 107 0.390 12.382 -11.868 1.00 0.00 H new ATOM 0 HA LEU A 107 0.649 11.443 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.460 13.050 -13.041 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.675 12.443 -14.671 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.929 10.608 -12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.372 10.088 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.034 11.790 -11.786 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.726 11.366 -13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.970 8.867 -13.795 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.310 10.091 -15.042 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.627 9.683 -14.632 1.00 0.00 H new ATOM 1645 N ALA A 108 0.728 14.731 -14.114 1.00 0.00 N ATOM 1646 CA ALA A 108 1.092 16.009 -14.710 1.00 0.00 C ATOM 1647 C ALA A 108 0.484 16.178 -16.103 1.00 0.00 C ATOM 1648 O ALA A 108 -0.303 17.094 -16.336 1.00 0.00 O ATOM 1649 CB ALA A 108 2.618 16.147 -14.745 1.00 0.00 C ATOM 0 H ALA A 108 0.447 14.814 -13.137 1.00 0.00 H new ATOM 0 HA ALA A 108 0.681 16.807 -14.092 1.00 0.00 H new ATOM 0 HB1 ALA A 108 2.887 17.104 -15.192 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.011 16.097 -13.730 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.043 15.338 -15.339 1.00 0.00 H new TER 1655 ALA A 108