USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 688 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: X 10 TYR OH : rot -173:sc= -0.0113 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-5.4) USER MOD Single : X 4 LYS NZ :NH3+ 139:sc= 2.43 (180deg=-0.633) USER MOD Single : X 5 ASN : amide:sc= -0.856 K(o=-0.86,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= -1.2! USER MOD Single : X 17 GLN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : X 20 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.16) USER MOD Single : X 24 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.903) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : X 30 THR OG1 : rot 68:sc= -1.38 USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -100:sc= 1.2 USER MOD Single : X 47 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-3.1!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 64 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : X 77 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.691) USER MOD Single : X 80 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.2) USER MOD Single : X 86 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.93) USER MOD Single : X 88 LYS NZ :NH3+ 172:sc= -0.0103 (180deg=-0.0819) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= 0.923 K(o=0.92,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.651 2.352 6.660 1.00 0.00 N ATOM 2 CA GLU X 2 60.323 3.748 6.861 1.00 0.00 C ATOM 3 C GLU X 2 61.453 4.562 6.303 1.00 0.00 C ATOM 4 O GLU X 2 62.602 4.151 6.406 1.00 0.00 O ATOM 5 CB GLU X 2 60.198 4.038 8.343 1.00 0.00 C ATOM 6 CG GLU X 2 59.709 5.426 8.662 1.00 0.00 C ATOM 7 CD GLU X 2 59.875 5.741 10.100 1.00 0.00 C ATOM 8 OE1 GLU X 2 59.111 5.226 10.933 1.00 0.00 O ATOM 9 OE2 GLU X 2 60.807 6.483 10.431 1.00 0.00 O ATOM 0 HA GLU X 2 59.380 3.990 6.370 1.00 0.00 H new ATOM 0 HB2 GLU X 2 59.515 3.314 8.787 1.00 0.00 H new ATOM 0 HB3 GLU X 2 61.170 3.890 8.814 1.00 0.00 H new ATOM 0 HG2 GLU X 2 60.257 6.153 8.063 1.00 0.00 H new ATOM 0 HG3 GLU X 2 58.658 5.515 8.388 1.00 0.00 H new ATOM 16 N LEU X 3 61.146 5.697 5.735 1.00 0.00 N ATOM 17 CA LEU X 3 62.155 6.529 5.148 1.00 0.00 C ATOM 18 C LEU X 3 62.522 7.649 6.065 1.00 0.00 C ATOM 19 O LEU X 3 61.670 8.209 6.753 1.00 0.00 O ATOM 20 CB LEU X 3 61.678 7.105 3.825 1.00 0.00 C ATOM 21 CG LEU X 3 61.313 6.091 2.764 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.957 6.780 1.460 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.452 5.125 2.574 1.00 0.00 C ATOM 0 H LEU X 3 60.198 6.066 5.667 1.00 0.00 H new ATOM 0 HA LEU X 3 63.032 5.906 4.974 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.808 7.734 4.016 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.459 7.753 3.429 1.00 0.00 H new ATOM 0 HG LEU X 3 60.434 5.535 3.091 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.698 6.031 0.712 1.00 0.00 H new ATOM 0 HD12 LEU X 3 60.107 7.443 1.619 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.810 7.362 1.111 1.00 0.00 H new ATOM 0 HD21 LEU X 3 62.186 4.395 1.809 1.00 0.00 H new ATOM 0 HD22 LEU X 3 63.343 5.670 2.262 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.652 4.609 3.513 1.00 0.00 H new ATOM 35 N LYS X 4 63.783 7.920 6.132 1.00 0.00 N ATOM 36 CA LYS X 4 64.293 9.035 6.862 1.00 0.00 C ATOM 37 C LYS X 4 64.626 10.129 5.841 1.00 0.00 C ATOM 38 O LYS X 4 64.082 10.141 4.745 1.00 0.00 O ATOM 39 CB LYS X 4 65.572 8.627 7.613 1.00 0.00 C ATOM 40 CG LYS X 4 65.503 7.328 8.393 1.00 0.00 C ATOM 41 CD LYS X 4 64.260 7.185 9.181 1.00 0.00 C ATOM 42 CE LYS X 4 64.469 6.139 10.251 1.00 0.00 C ATOM 43 NZ LYS X 4 63.282 5.899 11.083 1.00 0.00 N ATOM 0 H LYS X 4 64.503 7.362 5.672 1.00 0.00 H new ATOM 0 HA LYS X 4 63.563 9.387 7.590 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.384 8.550 6.890 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.834 9.428 8.304 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.584 6.491 7.699 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.360 7.269 9.064 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.991 8.139 9.635 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.434 6.898 8.531 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.766 5.203 9.778 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.295 6.448 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.182 4.879 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 63.387 6.398 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.436 6.250 10.590 1.00 0.00 H new ATOM 57 N ASN X 5 65.465 11.050 6.200 1.00 0.00 N ATOM 58 CA ASN X 5 65.919 12.059 5.256 1.00 0.00 C ATOM 59 C ASN X 5 67.406 11.915 5.041 1.00 0.00 C ATOM 60 O ASN X 5 67.944 12.237 3.971 1.00 0.00 O ATOM 61 CB ASN X 5 65.577 13.481 5.722 1.00 0.00 C ATOM 62 CG ASN X 5 64.079 13.751 5.866 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.665 14.582 6.682 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.260 13.067 5.093 1.00 0.00 N ATOM 0 H ASN X 5 65.858 11.136 7.138 1.00 0.00 H new ATOM 0 HA ASN X 5 65.395 11.899 4.314 1.00 0.00 H new ATOM 0 HB2 ASN X 5 66.061 13.663 6.681 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.997 14.194 5.013 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.253 13.216 5.158 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.633 12.388 4.429 1.00 0.00 H new ATOM 71 N SER X 6 68.077 11.419 6.046 1.00 0.00 N ATOM 72 CA SER X 6 69.476 11.177 5.962 1.00 0.00 C ATOM 73 C SER X 6 69.786 9.791 6.490 1.00 0.00 C ATOM 74 O SER X 6 68.943 9.163 7.152 1.00 0.00 O ATOM 75 CB SER X 6 70.250 12.237 6.731 1.00 0.00 C ATOM 76 OG SER X 6 69.832 12.287 8.090 1.00 0.00 O ATOM 0 H SER X 6 67.660 11.174 6.944 1.00 0.00 H new ATOM 0 HA SER X 6 69.785 11.232 4.918 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.317 12.020 6.683 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.101 13.211 6.265 1.00 0.00 H new ATOM 0 HG SER X 6 70.345 12.974 8.565 1.00 0.00 H new ATOM 82 N ILE X 7 70.988 9.334 6.227 1.00 0.00 N ATOM 83 CA ILE X 7 71.444 8.009 6.627 1.00 0.00 C ATOM 84 C ILE X 7 71.646 7.940 8.162 1.00 0.00 C ATOM 85 O ILE X 7 71.664 6.869 8.759 1.00 0.00 O ATOM 86 CB ILE X 7 72.789 7.672 5.900 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.136 6.193 5.994 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.945 8.528 6.405 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.178 5.320 5.228 1.00 0.00 C ATOM 0 H ILE X 7 71.691 9.874 5.723 1.00 0.00 H new ATOM 0 HA ILE X 7 70.685 7.280 6.345 1.00 0.00 H new ATOM 0 HB ILE X 7 72.633 7.911 4.848 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.146 6.036 5.615 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.138 5.891 7.041 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.857 8.259 5.872 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.721 9.581 6.232 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.085 8.357 7.472 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.475 4.276 5.331 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.171 5.451 5.623 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.194 5.599 4.175 1.00 0.00 H new ATOM 101 N SER X 8 71.689 9.099 8.786 1.00 0.00 N ATOM 102 CA SER X 8 72.027 9.218 10.178 1.00 0.00 C ATOM 103 C SER X 8 70.874 8.841 11.102 1.00 0.00 C ATOM 104 O SER X 8 71.050 8.723 12.312 1.00 0.00 O ATOM 105 CB SER X 8 72.531 10.632 10.448 1.00 0.00 C ATOM 106 OG SER X 8 73.661 10.909 9.627 1.00 0.00 O ATOM 0 H SER X 8 71.487 9.990 8.332 1.00 0.00 H new ATOM 0 HA SER X 8 72.819 8.503 10.400 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.739 11.354 10.248 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.800 10.737 11.499 1.00 0.00 H new ATOM 0 HG SER X 8 73.979 11.819 9.804 1.00 0.00 H new ATOM 112 N ASP X 9 69.704 8.643 10.546 1.00 0.00 N ATOM 113 CA ASP X 9 68.566 8.243 11.361 1.00 0.00 C ATOM 114 C ASP X 9 68.235 6.800 11.041 1.00 0.00 C ATOM 115 O ASP X 9 67.306 6.211 11.579 1.00 0.00 O ATOM 116 CB ASP X 9 67.351 9.118 11.068 1.00 0.00 C ATOM 117 CG ASP X 9 66.351 9.139 12.211 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.509 9.973 13.139 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.399 8.359 12.213 1.00 0.00 O ATOM 0 H ASP X 9 69.508 8.748 9.550 1.00 0.00 H new ATOM 0 HA ASP X 9 68.821 8.357 12.415 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.683 10.136 10.863 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.857 8.756 10.166 1.00 0.00 H new ATOM 124 N TYR X 10 69.045 6.219 10.202 1.00 0.00 N ATOM 125 CA TYR X 10 68.797 4.893 9.722 1.00 0.00 C ATOM 126 C TYR X 10 69.524 3.900 10.537 1.00 0.00 C ATOM 127 O TYR X 10 70.755 3.921 10.591 1.00 0.00 O ATOM 128 CB TYR X 10 69.214 4.704 8.243 1.00 0.00 C ATOM 129 CG TYR X 10 68.125 4.938 7.219 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.188 3.943 6.952 1.00 0.00 C ATOM 131 CD2 TYR X 10 68.028 6.126 6.521 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.186 4.130 6.023 1.00 0.00 C ATOM 133 CE2 TYR X 10 67.021 6.321 5.591 1.00 0.00 C ATOM 134 CZ TYR X 10 66.109 5.320 5.353 1.00 0.00 C ATOM 135 OH TYR X 10 65.104 5.522 4.462 1.00 0.00 O ATOM 0 H TYR X 10 69.892 6.651 9.834 1.00 0.00 H new ATOM 0 HA TYR X 10 67.720 4.742 9.800 1.00 0.00 H new ATOM 0 HB2 TYR X 10 70.041 5.381 8.028 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.593 3.690 8.118 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.247 3.005 7.484 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.746 6.912 6.703 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.470 3.346 5.827 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.952 7.256 5.055 1.00 0.00 H new ATOM 0 HH TYR X 10 65.250 6.368 3.990 1.00 0.00 H new ATOM 145 N THR X 11 68.795 3.058 11.220 1.00 0.00 N ATOM 146 CA THR X 11 69.412 1.923 11.796 1.00 0.00 C ATOM 147 C THR X 11 69.616 1.011 10.616 1.00 0.00 C ATOM 148 O THR X 11 68.915 1.168 9.584 1.00 0.00 O ATOM 149 CB THR X 11 68.512 1.207 12.846 1.00 0.00 C ATOM 150 OG1 THR X 11 67.317 0.731 12.232 1.00 0.00 O ATOM 151 CG2 THR X 11 68.148 2.131 13.997 1.00 0.00 C ATOM 0 H THR X 11 67.792 3.145 11.382 1.00 0.00 H new ATOM 0 HA THR X 11 70.322 2.196 12.331 1.00 0.00 H new ATOM 0 HB THR X 11 69.083 0.368 13.244 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.761 0.282 12.903 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.520 1.596 14.709 1.00 0.00 H new ATOM 0 HG22 THR X 11 69.057 2.466 14.496 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.606 2.995 13.613 1.00 0.00 H new ATOM 159 N GLU X 12 70.530 0.113 10.690 1.00 0.00 N ATOM 160 CA GLU X 12 70.734 -0.759 9.576 1.00 0.00 C ATOM 161 C GLU X 12 69.481 -1.597 9.250 1.00 0.00 C ATOM 162 O GLU X 12 69.230 -1.863 8.113 1.00 0.00 O ATOM 163 CB GLU X 12 72.009 -1.565 9.726 1.00 0.00 C ATOM 164 CG GLU X 12 72.130 -2.291 11.036 1.00 0.00 C ATOM 165 CD GLU X 12 73.472 -2.909 11.207 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.780 -3.902 10.534 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.258 -2.421 12.041 1.00 0.00 O ATOM 0 H GLU X 12 71.142 -0.042 11.491 1.00 0.00 H new ATOM 0 HA GLU X 12 70.885 -0.142 8.691 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.064 -2.291 8.915 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.863 -0.897 9.614 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.944 -1.596 11.855 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.364 -3.065 11.094 1.00 0.00 H new ATOM 174 N ALA X 13 68.668 -1.926 10.252 1.00 0.00 N ATOM 175 CA ALA X 13 67.398 -2.641 10.021 1.00 0.00 C ATOM 176 C ALA X 13 66.361 -1.735 9.335 1.00 0.00 C ATOM 177 O ALA X 13 65.636 -2.199 8.459 1.00 0.00 O ATOM 178 CB ALA X 13 66.841 -3.219 11.305 1.00 0.00 C ATOM 0 H ALA X 13 68.858 -1.713 11.231 1.00 0.00 H new ATOM 0 HA ALA X 13 67.616 -3.472 9.350 1.00 0.00 H new ATOM 0 HB1 ALA X 13 65.906 -3.738 11.095 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.558 -3.922 11.729 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.657 -2.414 12.017 1.00 0.00 H new ATOM 184 N GLU X 14 66.301 -0.430 9.722 1.00 0.00 N ATOM 185 CA GLU X 14 65.414 0.550 9.029 1.00 0.00 C ATOM 186 C GLU X 14 65.793 0.565 7.576 1.00 0.00 C ATOM 187 O GLU X 14 64.946 0.614 6.675 1.00 0.00 O ATOM 188 CB GLU X 14 65.616 1.995 9.578 1.00 0.00 C ATOM 189 CG GLU X 14 65.049 2.268 10.960 1.00 0.00 C ATOM 190 CD GLU X 14 63.545 2.228 11.014 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.967 1.139 11.140 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.913 3.299 10.979 1.00 0.00 O ATOM 0 H GLU X 14 66.843 -0.038 10.492 1.00 0.00 H new ATOM 0 HA GLU X 14 64.378 0.252 9.189 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.685 2.209 9.597 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.163 2.695 8.876 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.449 1.533 11.659 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.390 3.247 11.297 1.00 0.00 H new ATOM 199 N PHE X 15 67.080 0.480 7.366 1.00 0.00 N ATOM 200 CA PHE X 15 67.639 0.497 6.073 1.00 0.00 C ATOM 201 C PHE X 15 67.340 -0.804 5.344 1.00 0.00 C ATOM 202 O PHE X 15 66.874 -0.770 4.223 1.00 0.00 O ATOM 203 CB PHE X 15 69.132 0.724 6.164 1.00 0.00 C ATOM 204 CG PHE X 15 69.742 1.185 4.896 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.487 2.450 4.418 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.576 0.369 4.191 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.060 2.879 3.254 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.157 0.794 3.026 1.00 0.00 C ATOM 209 CZ PHE X 15 70.897 2.048 2.563 1.00 0.00 C ATOM 0 H PHE X 15 67.768 0.396 8.114 1.00 0.00 H new ATOM 0 HA PHE X 15 67.191 1.313 5.506 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.332 1.461 6.942 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.614 -0.204 6.472 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.830 3.108 4.967 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.781 -0.626 4.556 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.852 3.871 2.881 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.817 0.139 2.478 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.354 2.388 1.645 1.00 0.00 H new ATOM 219 N VAL X 16 67.588 -1.958 5.994 1.00 0.00 N ATOM 220 CA VAL X 16 67.358 -3.247 5.348 1.00 0.00 C ATOM 221 C VAL X 16 65.905 -3.445 4.999 1.00 0.00 C ATOM 222 O VAL X 16 65.606 -4.128 4.039 1.00 0.00 O ATOM 223 CB VAL X 16 67.887 -4.505 6.106 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.291 -4.390 6.564 1.00 0.00 C ATOM 225 CG2 VAL X 16 66.968 -5.003 7.171 1.00 0.00 C ATOM 0 H VAL X 16 67.941 -2.016 6.949 1.00 0.00 H new ATOM 0 HA VAL X 16 67.964 -3.177 4.445 1.00 0.00 H new ATOM 0 HB VAL X 16 67.897 -5.284 5.344 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.581 -5.305 7.081 1.00 0.00 H new ATOM 0 HG12 VAL X 16 69.943 -4.237 5.704 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.384 -3.544 7.245 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.407 -5.878 7.650 1.00 0.00 H new ATOM 0 HG22 VAL X 16 66.815 -4.221 7.914 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.010 -5.274 6.727 1.00 0.00 H new ATOM 235 N GLN X 17 65.004 -2.853 5.782 1.00 0.00 N ATOM 236 CA GLN X 17 63.608 -2.933 5.498 1.00 0.00 C ATOM 237 C GLN X 17 63.359 -2.254 4.162 1.00 0.00 C ATOM 238 O GLN X 17 62.751 -2.828 3.270 1.00 0.00 O ATOM 239 CB GLN X 17 62.805 -2.226 6.560 1.00 0.00 C ATOM 240 CG GLN X 17 61.377 -2.646 6.536 1.00 0.00 C ATOM 241 CD GLN X 17 60.462 -1.685 7.234 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.228 -1.769 8.439 1.00 0.00 O ATOM 243 NE2 GLN X 17 59.910 -0.779 6.486 1.00 0.00 N ATOM 0 H GLN X 17 65.237 -2.315 6.617 1.00 0.00 H new ATOM 0 HA GLN X 17 63.305 -3.980 5.472 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.231 -2.438 7.541 1.00 0.00 H new ATOM 0 HB3 GLN X 17 62.871 -1.148 6.410 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.055 -2.755 5.500 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.286 -3.627 7.003 1.00 0.00 H new ATOM 0 HE21 GLN X 17 60.127 -0.738 5.490 1.00 0.00 H new ATOM 0 HE22 GLN X 17 59.259 -0.108 6.894 1.00 0.00 H new ATOM 252 N LEU X 18 63.905 -1.049 4.032 1.00 0.00 N ATOM 253 CA LEU X 18 63.829 -0.254 2.813 1.00 0.00 C ATOM 254 C LEU X 18 64.445 -1.026 1.665 1.00 0.00 C ATOM 255 O LEU X 18 63.889 -1.111 0.594 1.00 0.00 O ATOM 256 CB LEU X 18 64.534 1.110 3.065 1.00 0.00 C ATOM 257 CG LEU X 18 64.651 2.142 1.912 1.00 0.00 C ATOM 258 CD1 LEU X 18 65.875 1.884 1.057 1.00 0.00 C ATOM 259 CD2 LEU X 18 63.404 2.151 1.047 1.00 0.00 C ATOM 0 H LEU X 18 64.421 -0.591 4.783 1.00 0.00 H new ATOM 0 HA LEU X 18 62.793 -0.051 2.540 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.012 1.599 3.887 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.544 0.895 3.412 1.00 0.00 H new ATOM 0 HG LEU X 18 64.757 3.123 2.375 1.00 0.00 H new ATOM 0 HD11 LEU X 18 65.925 2.626 0.260 1.00 0.00 H new ATOM 0 HD12 LEU X 18 66.771 1.954 1.674 1.00 0.00 H new ATOM 0 HD13 LEU X 18 65.811 0.887 0.621 1.00 0.00 H new ATOM 0 HD21 LEU X 18 63.520 2.885 0.249 1.00 0.00 H new ATOM 0 HD22 LEU X 18 63.256 1.163 0.612 1.00 0.00 H new ATOM 0 HD23 LEU X 18 62.540 2.412 1.658 1.00 0.00 H new ATOM 271 N LEU X 19 65.565 -1.603 1.937 1.00 0.00 N ATOM 272 CA LEU X 19 66.288 -2.443 1.004 1.00 0.00 C ATOM 273 C LEU X 19 65.452 -3.624 0.527 1.00 0.00 C ATOM 274 O LEU X 19 65.446 -3.956 -0.659 1.00 0.00 O ATOM 275 CB LEU X 19 67.501 -2.928 1.697 1.00 0.00 C ATOM 276 CG LEU X 19 68.513 -1.854 2.006 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.754 -2.448 2.505 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.784 -0.982 0.820 1.00 0.00 C ATOM 0 H LEU X 19 66.030 -1.509 2.840 1.00 0.00 H new ATOM 0 HA LEU X 19 66.540 -1.862 0.117 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.204 -3.410 2.629 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.976 -3.691 1.081 1.00 0.00 H new ATOM 0 HG LEU X 19 68.089 -1.219 2.784 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.473 -1.659 2.723 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.547 -3.012 3.415 1.00 0.00 H new ATOM 0 HD13 LEU X 19 70.167 -3.117 1.750 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.518 -0.222 1.087 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.172 -1.590 0.002 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.859 -0.498 0.505 1.00 0.00 H new ATOM 290 N LYS X 20 64.735 -4.243 1.449 1.00 0.00 N ATOM 291 CA LYS X 20 63.829 -5.332 1.128 1.00 0.00 C ATOM 292 C LYS X 20 62.666 -4.819 0.319 1.00 0.00 C ATOM 293 O LYS X 20 62.139 -5.523 -0.531 1.00 0.00 O ATOM 294 CB LYS X 20 63.313 -6.037 2.369 1.00 0.00 C ATOM 295 CG LYS X 20 64.369 -6.768 3.160 1.00 0.00 C ATOM 296 CD LYS X 20 63.740 -7.473 4.355 1.00 0.00 C ATOM 297 CE LYS X 20 64.745 -8.312 5.123 1.00 0.00 C ATOM 298 NZ LYS X 20 65.174 -9.515 4.371 1.00 0.00 N ATOM 0 H LYS X 20 64.764 -4.005 2.440 1.00 0.00 H new ATOM 0 HA LYS X 20 64.396 -6.058 0.545 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.836 -5.302 3.017 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.542 -6.748 2.073 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.872 -7.496 2.523 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.129 -6.065 3.502 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.303 -6.731 5.023 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.926 -8.110 4.011 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.618 -7.703 5.357 1.00 0.00 H new ATOM 0 HE3 LYS X 20 64.307 -8.619 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 65.921 -10.007 4.901 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 64.362 -10.153 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 65.540 -9.230 3.440 1.00 0.00 H new ATOM 312 N GLU X 21 62.245 -3.615 0.616 1.00 0.00 N ATOM 313 CA GLU X 21 61.201 -2.976 -0.133 1.00 0.00 C ATOM 314 C GLU X 21 61.667 -2.667 -1.549 1.00 0.00 C ATOM 315 O GLU X 21 60.917 -2.828 -2.495 1.00 0.00 O ATOM 316 CB GLU X 21 60.680 -1.738 0.583 1.00 0.00 C ATOM 317 CG GLU X 21 60.024 -2.055 1.916 1.00 0.00 C ATOM 318 CD GLU X 21 59.480 -0.843 2.610 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.440 -0.320 2.171 1.00 0.00 O ATOM 320 OE2 GLU X 21 60.028 -0.421 3.648 1.00 0.00 O ATOM 0 H GLU X 21 62.617 -3.054 1.382 1.00 0.00 H new ATOM 0 HA GLU X 21 60.363 -3.668 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.505 -1.045 0.746 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.960 -1.230 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.215 -2.767 1.755 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.752 -2.541 2.565 1.00 0.00 H new ATOM 327 N ILE X 22 62.927 -2.272 -1.694 1.00 0.00 N ATOM 328 CA ILE X 22 63.498 -2.035 -3.012 1.00 0.00 C ATOM 329 C ILE X 22 63.478 -3.338 -3.796 1.00 0.00 C ATOM 330 O ILE X 22 63.086 -3.366 -4.941 1.00 0.00 O ATOM 331 CB ILE X 22 64.955 -1.511 -2.961 1.00 0.00 C ATOM 332 CG1 ILE X 22 65.069 -0.264 -2.086 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.427 -1.200 -4.367 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.458 0.332 -2.047 1.00 0.00 C ATOM 0 H ILE X 22 63.569 -2.110 -0.918 1.00 0.00 H new ATOM 0 HA ILE X 22 62.893 -1.265 -3.490 1.00 0.00 H new ATOM 0 HB ILE X 22 65.583 -2.286 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.371 0.489 -2.451 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.764 -0.516 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.452 -0.831 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.387 -2.105 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.782 -0.440 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.458 1.213 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.159 -0.404 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.760 0.617 -3.055 1.00 0.00 H new ATOM 346 N GLU X 23 63.858 -4.411 -3.125 1.00 0.00 N ATOM 347 CA GLU X 23 63.855 -5.753 -3.655 1.00 0.00 C ATOM 348 C GLU X 23 62.439 -6.131 -4.111 1.00 0.00 C ATOM 349 O GLU X 23 62.223 -6.572 -5.246 1.00 0.00 O ATOM 350 CB GLU X 23 64.286 -6.626 -2.483 1.00 0.00 C ATOM 351 CG GLU X 23 63.892 -8.069 -2.528 1.00 0.00 C ATOM 352 CD GLU X 23 64.895 -8.965 -3.194 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.829 -9.409 -2.507 1.00 0.00 O ATOM 354 OE2 GLU X 23 64.738 -9.290 -4.391 1.00 0.00 O ATOM 0 H GLU X 23 64.188 -4.364 -2.161 1.00 0.00 H new ATOM 0 HA GLU X 23 64.511 -5.867 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.372 -6.574 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.878 -6.192 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU X 23 63.729 -8.420 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU X 23 62.940 -8.157 -3.052 1.00 0.00 H new ATOM 361 N LYS X 24 61.496 -5.859 -3.240 1.00 0.00 N ATOM 362 CA LYS X 24 60.109 -6.193 -3.421 1.00 0.00 C ATOM 363 C LYS X 24 59.528 -5.428 -4.602 1.00 0.00 C ATOM 364 O LYS X 24 58.977 -6.021 -5.527 1.00 0.00 O ATOM 365 CB LYS X 24 59.375 -5.855 -2.126 1.00 0.00 C ATOM 366 CG LYS X 24 57.969 -6.402 -2.009 1.00 0.00 C ATOM 367 CD LYS X 24 57.445 -6.300 -0.564 1.00 0.00 C ATOM 368 CE LYS X 24 57.459 -4.872 0.003 1.00 0.00 C ATOM 369 NZ LYS X 24 56.543 -3.963 -0.700 1.00 0.00 N ATOM 0 H LYS X 24 61.683 -5.383 -2.357 1.00 0.00 H new ATOM 0 HA LYS X 24 59.996 -7.254 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.962 -6.230 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.333 -4.770 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.306 -5.853 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.954 -7.443 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.426 -6.684 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.049 -6.941 0.078 1.00 0.00 H new ATOM 0 HE2 LYS X 24 57.190 -4.904 1.059 1.00 0.00 H new ATOM 0 HE3 LYS X 24 58.472 -4.474 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 56.729 -2.984 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.690 -4.047 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 55.560 -4.214 -0.470 1.00 0.00 H new ATOM 383 N GLU X 25 59.709 -4.129 -4.594 1.00 0.00 N ATOM 384 CA GLU X 25 59.212 -3.270 -5.631 1.00 0.00 C ATOM 385 C GLU X 25 59.942 -3.475 -6.956 1.00 0.00 C ATOM 386 O GLU X 25 59.383 -3.222 -8.025 1.00 0.00 O ATOM 387 CB GLU X 25 59.248 -1.807 -5.178 1.00 0.00 C ATOM 388 CG GLU X 25 58.085 -1.381 -4.268 1.00 0.00 C ATOM 389 CD GLU X 25 57.864 -2.199 -3.009 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.380 -3.344 -3.108 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.097 -1.685 -1.898 1.00 0.00 O ATOM 0 H GLU X 25 60.212 -3.637 -3.856 1.00 0.00 H new ATOM 0 HA GLU X 25 58.173 -3.542 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.186 -1.628 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.251 -1.169 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.246 -0.344 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.167 -1.407 -4.855 1.00 0.00 H new ATOM 398 N ASN X 26 61.172 -3.938 -6.884 1.00 0.00 N ATOM 399 CA ASN X 26 61.964 -4.241 -8.072 1.00 0.00 C ATOM 400 C ASN X 26 61.427 -5.472 -8.767 1.00 0.00 C ATOM 401 O ASN X 26 61.141 -5.441 -9.958 1.00 0.00 O ATOM 402 CB ASN X 26 63.450 -4.433 -7.715 1.00 0.00 C ATOM 403 CG ASN X 26 64.323 -4.857 -8.887 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.506 -6.045 -9.134 1.00 0.00 O ATOM 405 ND2 ASN X 26 64.872 -3.901 -9.600 1.00 0.00 N ATOM 0 H ASN X 26 61.657 -4.117 -6.004 1.00 0.00 H new ATOM 0 HA ASN X 26 61.886 -3.393 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.838 -3.500 -7.307 1.00 0.00 H new ATOM 0 HB3 ASN X 26 63.529 -5.183 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.474 -4.135 -10.390 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.697 -2.924 -9.364 1.00 0.00 H new ATOM 412 N VAL X 27 61.229 -6.543 -8.016 1.00 0.00 N ATOM 413 CA VAL X 27 60.762 -7.797 -8.610 1.00 0.00 C ATOM 414 C VAL X 27 59.266 -7.777 -8.915 1.00 0.00 C ATOM 415 O VAL X 27 58.742 -8.679 -9.585 1.00 0.00 O ATOM 416 CB VAL X 27 61.132 -9.051 -7.777 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.639 -9.168 -7.653 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.475 -9.028 -6.401 1.00 0.00 C ATOM 0 H VAL X 27 61.380 -6.576 -7.008 1.00 0.00 H new ATOM 0 HA VAL X 27 61.299 -7.874 -9.555 1.00 0.00 H new ATOM 0 HB VAL X 27 60.752 -9.928 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL X 27 62.888 -10.052 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.080 -9.255 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.033 -8.281 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.758 -9.923 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.805 -8.144 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.391 -9.000 -6.516 1.00 0.00 H new ATOM 428 N ALA X 28 58.578 -6.780 -8.403 1.00 0.00 N ATOM 429 CA ALA X 28 57.175 -6.586 -8.710 1.00 0.00 C ATOM 430 C ALA X 28 57.033 -5.617 -9.870 1.00 0.00 C ATOM 431 O ALA X 28 56.006 -5.595 -10.548 1.00 0.00 O ATOM 432 CB ALA X 28 56.437 -6.054 -7.497 1.00 0.00 C ATOM 0 H ALA X 28 58.970 -6.085 -7.767 1.00 0.00 H new ATOM 0 HA ALA X 28 56.740 -7.546 -8.988 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.385 -5.914 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.525 -6.766 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA X 28 56.870 -5.099 -7.198 1.00 0.00 H new ATOM 438 N ALA X 29 58.100 -4.854 -10.105 1.00 0.00 N ATOM 439 CA ALA X 29 58.168 -3.805 -11.113 1.00 0.00 C ATOM 440 C ALA X 29 57.058 -2.782 -10.921 1.00 0.00 C ATOM 441 O ALA X 29 56.019 -2.818 -11.600 1.00 0.00 O ATOM 442 CB ALA X 29 58.218 -4.346 -12.542 1.00 0.00 C ATOM 0 H ALA X 29 58.968 -4.955 -9.579 1.00 0.00 H new ATOM 0 HA ALA X 29 59.118 -3.292 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA X 29 58.268 -3.514 -13.244 1.00 0.00 H new ATOM 0 HB2 ALA X 29 59.100 -4.975 -12.662 1.00 0.00 H new ATOM 0 HB3 ALA X 29 57.322 -4.935 -12.740 1.00 0.00 H new ATOM 448 N THR X 30 57.245 -1.933 -9.943 1.00 0.00 N ATOM 449 CA THR X 30 56.268 -0.918 -9.615 1.00 0.00 C ATOM 450 C THR X 30 56.629 0.393 -10.289 1.00 0.00 C ATOM 451 O THR X 30 55.772 1.229 -10.570 1.00 0.00 O ATOM 452 CB THR X 30 56.226 -0.719 -8.100 1.00 0.00 C ATOM 453 OG1 THR X 30 57.529 -0.334 -7.638 1.00 0.00 O ATOM 454 CG2 THR X 30 55.853 -2.012 -7.423 1.00 0.00 C ATOM 0 H THR X 30 58.076 -1.923 -9.351 1.00 0.00 H new ATOM 0 HA THR X 30 55.289 -1.241 -9.969 1.00 0.00 H new ATOM 0 HB THR X 30 55.491 0.051 -7.865 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.743 0.562 -7.972 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.825 -1.863 -6.344 1.00 0.00 H new ATOM 0 HG22 THR X 30 54.871 -2.335 -7.770 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.592 -2.776 -7.665 1.00 0.00 H new ATOM 462 N ASP X 31 57.919 0.534 -10.554 1.00 0.00 N ATOM 463 CA ASP X 31 58.538 1.671 -11.182 1.00 0.00 C ATOM 464 C ASP X 31 58.494 2.942 -10.370 1.00 0.00 C ATOM 465 O ASP X 31 59.540 3.424 -9.949 1.00 0.00 O ATOM 466 CB ASP X 31 58.064 1.919 -12.596 1.00 0.00 C ATOM 467 CG ASP X 31 58.288 0.763 -13.543 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.459 0.417 -13.827 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.299 0.182 -14.029 1.00 0.00 O ATOM 0 H ASP X 31 58.595 -0.192 -10.318 1.00 0.00 H new ATOM 0 HA ASP X 31 59.586 1.378 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.000 2.153 -12.573 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.575 2.798 -12.988 1.00 0.00 H new ATOM 474 N ASP X 32 57.317 3.468 -10.121 1.00 0.00 N ATOM 475 CA ASP X 32 57.178 4.770 -9.464 1.00 0.00 C ATOM 476 C ASP X 32 57.720 4.762 -8.046 1.00 0.00 C ATOM 477 O ASP X 32 58.527 5.613 -7.690 1.00 0.00 O ATOM 478 CB ASP X 32 55.732 5.294 -9.483 1.00 0.00 C ATOM 479 CG ASP X 32 54.772 4.513 -8.610 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.500 3.341 -8.900 1.00 0.00 O ATOM 481 OD2 ASP X 32 54.299 5.062 -7.598 1.00 0.00 O ATOM 0 H ASP X 32 56.432 3.021 -10.360 1.00 0.00 H new ATOM 0 HA ASP X 32 57.785 5.458 -10.052 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.732 6.335 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.366 5.278 -10.510 1.00 0.00 H new ATOM 486 N VAL X 33 57.341 3.778 -7.256 1.00 0.00 N ATOM 487 CA VAL X 33 57.795 3.746 -5.867 1.00 0.00 C ATOM 488 C VAL X 33 59.157 3.139 -5.793 1.00 0.00 C ATOM 489 O VAL X 33 59.975 3.517 -4.983 1.00 0.00 O ATOM 490 CB VAL X 33 56.794 3.060 -4.902 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.469 1.644 -5.307 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.252 3.129 -3.446 1.00 0.00 C ATOM 0 H VAL X 33 56.736 3.006 -7.535 1.00 0.00 H new ATOM 0 HA VAL X 33 57.850 4.778 -5.520 1.00 0.00 H new ATOM 0 HB VAL X 33 55.869 3.632 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL X 33 55.764 1.215 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.025 1.643 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.383 1.049 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL X 33 56.518 2.635 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.215 2.629 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.350 4.172 -3.144 1.00 0.00 H new ATOM 502 N LEU X 34 59.407 2.266 -6.718 1.00 0.00 N ATOM 503 CA LEU X 34 60.693 1.633 -6.876 1.00 0.00 C ATOM 504 C LEU X 34 61.742 2.712 -7.120 1.00 0.00 C ATOM 505 O LEU X 34 62.803 2.695 -6.517 1.00 0.00 O ATOM 506 CB LEU X 34 60.592 0.643 -8.049 1.00 0.00 C ATOM 507 CG LEU X 34 61.794 -0.251 -8.386 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.712 0.433 -9.347 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.543 -0.692 -7.135 1.00 0.00 C ATOM 0 H LEU X 34 58.714 1.963 -7.402 1.00 0.00 H new ATOM 0 HA LEU X 34 60.989 1.081 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.743 -0.011 -7.853 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.351 1.218 -8.943 1.00 0.00 H new ATOM 0 HG LEU X 34 61.406 -1.151 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.556 -0.219 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.173 0.658 -10.267 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.077 1.360 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.386 -1.323 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.910 0.185 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.870 -1.255 -6.488 1.00 0.00 H new ATOM 521 N ASP X 35 61.393 3.687 -7.937 1.00 0.00 N ATOM 522 CA ASP X 35 62.296 4.797 -8.231 1.00 0.00 C ATOM 523 C ASP X 35 62.528 5.638 -7.022 1.00 0.00 C ATOM 524 O ASP X 35 63.638 6.110 -6.796 1.00 0.00 O ATOM 525 CB ASP X 35 61.807 5.656 -9.383 1.00 0.00 C ATOM 526 CG ASP X 35 62.763 6.787 -9.724 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.754 6.546 -10.440 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.511 7.943 -9.330 1.00 0.00 O ATOM 0 H ASP X 35 60.492 3.738 -8.412 1.00 0.00 H new ATOM 0 HA ASP X 35 63.242 4.351 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.666 5.029 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.833 6.074 -9.130 1.00 0.00 H new ATOM 533 N VAL X 36 61.490 5.789 -6.224 1.00 0.00 N ATOM 534 CA VAL X 36 61.580 6.541 -4.990 1.00 0.00 C ATOM 535 C VAL X 36 62.630 5.953 -4.139 1.00 0.00 C ATOM 536 O VAL X 36 63.516 6.640 -3.659 1.00 0.00 O ATOM 537 CB VAL X 36 60.298 6.412 -4.172 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.414 7.152 -2.903 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.177 6.910 -4.911 1.00 0.00 C ATOM 0 H VAL X 36 60.567 5.397 -6.411 1.00 0.00 H new ATOM 0 HA VAL X 36 61.776 7.579 -5.260 1.00 0.00 H new ATOM 0 HB VAL X 36 60.144 5.355 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.490 7.047 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.244 6.750 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.594 8.207 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.272 6.810 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.338 7.961 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.066 6.339 -5.833 1.00 0.00 H new ATOM 549 N LEU X 37 62.541 4.671 -4.022 1.00 0.00 N ATOM 550 CA LEU X 37 63.371 3.923 -3.171 1.00 0.00 C ATOM 551 C LEU X 37 64.781 3.936 -3.672 1.00 0.00 C ATOM 552 O LEU X 37 65.704 4.118 -2.904 1.00 0.00 O ATOM 553 CB LEU X 37 62.881 2.516 -3.089 1.00 0.00 C ATOM 554 CG LEU X 37 61.396 2.297 -2.775 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.071 0.820 -2.744 1.00 0.00 C ATOM 556 CD2 LEU X 37 60.986 2.970 -1.470 1.00 0.00 C ATOM 0 H LEU X 37 61.864 4.108 -4.537 1.00 0.00 H new ATOM 0 HA LEU X 37 63.345 4.373 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.098 2.029 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.465 2.001 -2.326 1.00 0.00 H new ATOM 0 HG LEU X 37 60.820 2.763 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.013 0.685 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.296 0.378 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.670 0.332 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU X 37 59.927 2.790 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.573 2.559 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.165 4.043 -1.542 1.00 0.00 H new ATOM 568 N LEU X 38 64.922 3.771 -4.965 1.00 0.00 N ATOM 569 CA LEU X 38 66.209 3.772 -5.622 1.00 0.00 C ATOM 570 C LEU X 38 66.937 5.071 -5.391 1.00 0.00 C ATOM 571 O LEU X 38 68.099 5.085 -4.962 1.00 0.00 O ATOM 572 CB LEU X 38 66.021 3.565 -7.118 1.00 0.00 C ATOM 573 CG LEU X 38 65.594 2.198 -7.618 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.759 2.149 -9.108 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.370 1.081 -6.960 1.00 0.00 C ATOM 0 H LEU X 38 64.136 3.630 -5.600 1.00 0.00 H new ATOM 0 HA LEU X 38 66.803 2.960 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.281 4.288 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.962 3.816 -7.607 1.00 0.00 H new ATOM 0 HG LEU X 38 64.547 2.049 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.454 1.169 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.139 2.918 -9.568 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.804 2.324 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU X 38 66.029 0.122 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.432 1.202 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.209 1.112 -5.882 1.00 0.00 H new ATOM 587 N GLU X 39 66.246 6.145 -5.623 1.00 0.00 N ATOM 588 CA GLU X 39 66.794 7.460 -5.449 1.00 0.00 C ATOM 589 C GLU X 39 67.042 7.758 -3.999 1.00 0.00 C ATOM 590 O GLU X 39 68.039 8.392 -3.649 1.00 0.00 O ATOM 591 CB GLU X 39 65.830 8.481 -5.970 1.00 0.00 C ATOM 592 CG GLU X 39 65.757 8.616 -7.464 1.00 0.00 C ATOM 593 CD GLU X 39 67.029 9.152 -8.047 1.00 0.00 C ATOM 594 OE1 GLU X 39 67.349 10.343 -7.806 1.00 0.00 O ATOM 595 OE2 GLU X 39 67.734 8.418 -8.777 1.00 0.00 O ATOM 0 H GLU X 39 65.277 6.136 -5.941 1.00 0.00 H new ATOM 0 HA GLU X 39 67.737 7.499 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU X 39 64.835 8.235 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.097 9.451 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU X 39 65.539 7.643 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.932 9.277 -7.727 1.00 0.00 H new ATOM 602 N HIS X 40 66.136 7.321 -3.167 1.00 0.00 N ATOM 603 CA HIS X 40 66.218 7.582 -1.765 1.00 0.00 C ATOM 604 C HIS X 40 67.410 6.880 -1.178 1.00 0.00 C ATOM 605 O HIS X 40 68.179 7.463 -0.437 1.00 0.00 O ATOM 606 CB HIS X 40 64.920 7.179 -1.064 1.00 0.00 C ATOM 607 CG HIS X 40 64.896 7.526 0.387 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.403 8.703 0.879 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.361 6.841 1.451 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.581 8.707 2.193 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.165 7.592 2.595 1.00 0.00 N ATOM 0 H HIS X 40 65.322 6.774 -3.447 1.00 0.00 H new ATOM 0 HA HIS X 40 66.350 8.653 -1.610 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.081 7.667 -1.560 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.775 6.104 -1.175 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.973 9.448 0.331 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.814 5.861 1.415 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.288 9.514 2.848 1.00 0.00 H new ATOM 619 N PHE X 41 67.564 5.657 -1.554 1.00 0.00 N ATOM 620 CA PHE X 41 68.660 4.843 -1.150 1.00 0.00 C ATOM 621 C PHE X 41 69.993 5.514 -1.491 1.00 0.00 C ATOM 622 O PHE X 41 70.858 5.671 -0.628 1.00 0.00 O ATOM 623 CB PHE X 41 68.506 3.495 -1.833 1.00 0.00 C ATOM 624 CG PHE X 41 69.715 2.621 -1.813 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.085 1.964 -0.666 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.481 2.458 -2.943 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.206 1.158 -0.640 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.597 1.655 -2.915 1.00 0.00 C ATOM 629 CZ PHE X 41 71.960 1.007 -1.767 1.00 0.00 C ATOM 0 H PHE X 41 66.908 5.179 -2.172 1.00 0.00 H new ATOM 0 HA PHE X 41 68.660 4.704 -0.069 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.684 2.959 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.219 3.664 -2.871 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.491 2.079 0.229 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.205 2.963 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.485 0.648 0.270 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.192 1.535 -3.808 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.839 0.379 -1.752 1.00 0.00 H new ATOM 639 N VAL X 42 70.152 5.919 -2.725 1.00 0.00 N ATOM 640 CA VAL X 42 71.372 6.576 -3.133 1.00 0.00 C ATOM 641 C VAL X 42 71.567 7.962 -2.505 1.00 0.00 C ATOM 642 O VAL X 42 72.666 8.336 -2.201 1.00 0.00 O ATOM 643 CB VAL X 42 71.582 6.564 -4.670 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.501 7.245 -5.424 1.00 0.00 C ATOM 645 CG2 VAL X 42 72.964 7.036 -5.082 1.00 0.00 C ATOM 0 H VAL X 42 69.457 5.807 -3.463 1.00 0.00 H new ATOM 0 HA VAL X 42 72.176 5.967 -2.720 1.00 0.00 H new ATOM 0 HB VAL X 42 71.519 5.514 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.716 7.197 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.550 6.752 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.442 8.288 -5.113 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.050 7.005 -6.168 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.118 8.058 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.718 6.385 -4.640 1.00 0.00 H new ATOM 655 N LYS X 43 70.501 8.679 -2.263 1.00 0.00 N ATOM 656 CA LYS X 43 70.617 10.046 -1.686 1.00 0.00 C ATOM 657 C LYS X 43 71.048 10.017 -0.215 1.00 0.00 C ATOM 658 O LYS X 43 71.728 10.924 0.246 1.00 0.00 O ATOM 659 CB LYS X 43 69.306 10.863 -1.829 1.00 0.00 C ATOM 660 CG LYS X 43 68.191 10.440 -0.862 1.00 0.00 C ATOM 661 CD LYS X 43 66.863 11.134 -1.126 1.00 0.00 C ATOM 662 CE LYS X 43 66.916 12.616 -0.806 1.00 0.00 C ATOM 663 NZ LYS X 43 65.609 13.271 -1.023 1.00 0.00 N ATOM 0 H LYS X 43 69.546 8.370 -2.443 1.00 0.00 H new ATOM 0 HA LYS X 43 71.394 10.543 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.529 11.918 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.941 10.766 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.049 9.362 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.507 10.653 0.159 1.00 0.00 H new ATOM 0 HD2 LYS X 43 66.587 11.000 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.084 10.663 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS X 43 67.224 12.753 0.231 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.671 13.096 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 65.685 14.283 -0.794 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.327 13.162 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.894 12.830 -0.410 1.00 0.00 H new ATOM 677 N ILE X 44 70.633 9.007 0.512 1.00 0.00 N ATOM 678 CA ILE X 44 70.976 8.915 1.917 1.00 0.00 C ATOM 679 C ILE X 44 72.355 8.311 2.109 1.00 0.00 C ATOM 680 O ILE X 44 73.092 8.713 2.999 1.00 0.00 O ATOM 681 CB ILE X 44 69.905 8.128 2.724 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.657 6.756 2.083 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.612 8.939 2.810 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.595 5.926 2.740 1.00 0.00 C ATOM 0 H ILE X 44 70.061 8.240 0.160 1.00 0.00 H new ATOM 0 HA ILE X 44 70.996 9.932 2.309 1.00 0.00 H new ATOM 0 HB ILE X 44 70.272 7.964 3.737 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.384 6.905 1.038 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.591 6.195 2.092 1.00 0.00 H new ATOM 0 HG21 ILE X 44 67.868 8.379 3.377 1.00 0.00 H new ATOM 0 HG22 ILE X 44 68.810 9.888 3.309 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.234 9.129 1.805 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.497 4.977 2.213 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.870 5.738 3.778 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.645 6.459 2.708 1.00 0.00 H new ATOM 696 N THR X 45 72.715 7.382 1.248 1.00 0.00 N ATOM 697 CA THR X 45 73.998 6.721 1.346 1.00 0.00 C ATOM 698 C THR X 45 75.074 7.543 0.668 1.00 0.00 C ATOM 699 O THR X 45 76.224 7.627 1.152 1.00 0.00 O ATOM 700 CB THR X 45 73.943 5.332 0.696 1.00 0.00 C ATOM 701 OG1 THR X 45 73.531 5.454 -0.679 1.00 0.00 O ATOM 702 CG2 THR X 45 72.956 4.460 1.420 1.00 0.00 C ATOM 0 H THR X 45 72.135 7.067 0.470 1.00 0.00 H new ATOM 0 HA THR X 45 74.237 6.614 2.404 1.00 0.00 H new ATOM 0 HB THR X 45 74.935 4.884 0.750 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.579 5.234 -0.756 1.00 0.00 H new ATOM 0 HG21 THR X 45 72.926 3.477 0.950 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.259 4.355 2.462 1.00 0.00 H new ATOM 0 HG23 THR X 45 71.967 4.915 1.374 1.00 0.00 H new ATOM 710 N GLU X 46 74.675 8.135 -0.464 1.00 0.00 N ATOM 711 CA GLU X 46 75.502 8.940 -1.342 1.00 0.00 C ATOM 712 C GLU X 46 76.602 8.092 -1.936 1.00 0.00 C ATOM 713 O GLU X 46 77.665 8.581 -2.349 1.00 0.00 O ATOM 714 CB GLU X 46 76.002 10.159 -0.619 1.00 0.00 C ATOM 715 CG GLU X 46 74.878 11.008 -0.104 1.00 0.00 C ATOM 716 CD GLU X 46 75.358 12.213 0.615 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.800 12.077 1.775 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.274 13.326 0.052 1.00 0.00 O ATOM 0 H GLU X 46 73.716 8.055 -0.801 1.00 0.00 H new ATOM 0 HA GLU X 46 74.910 9.309 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.635 9.852 0.213 1.00 0.00 H new ATOM 0 HB3 GLU X 46 76.624 10.750 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.247 11.314 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.256 10.414 0.565 1.00 0.00 H new ATOM 725 N HIS X 47 76.293 6.810 -2.033 1.00 0.00 N ATOM 726 CA HIS X 47 77.174 5.843 -2.599 1.00 0.00 C ATOM 727 C HIS X 47 77.223 6.116 -4.105 1.00 0.00 C ATOM 728 O HIS X 47 76.178 6.326 -4.714 1.00 0.00 O ATOM 729 CB HIS X 47 76.629 4.423 -2.324 1.00 0.00 C ATOM 730 CG HIS X 47 77.624 3.328 -2.574 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.675 2.550 -3.708 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.640 2.908 -1.799 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.709 1.716 -3.584 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.325 1.890 -2.443 1.00 0.00 N ATOM 0 H HIS X 47 75.406 6.421 -1.712 1.00 0.00 H new ATOM 0 HA HIS X 47 78.172 5.909 -2.165 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.296 4.367 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.753 4.254 -2.950 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.884 3.304 -0.824 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.000 0.991 -4.329 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.140 1.382 -2.099 1.00 0.00 H new ATOM 742 N PRO X 48 78.404 6.090 -4.742 1.00 0.00 N ATOM 743 CA PRO X 48 78.552 6.430 -6.175 1.00 0.00 C ATOM 744 C PRO X 48 78.098 5.340 -7.071 1.00 0.00 C ATOM 745 O PRO X 48 78.246 5.410 -8.277 1.00 0.00 O ATOM 746 CB PRO X 48 80.044 6.534 -6.370 1.00 0.00 C ATOM 747 CG PRO X 48 80.649 6.488 -5.026 1.00 0.00 C ATOM 748 CD PRO X 48 79.693 5.732 -4.165 1.00 0.00 C ATOM 0 HA PRO X 48 77.971 7.323 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.412 5.715 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.304 7.461 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.621 5.996 -5.053 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.811 7.493 -4.638 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.872 4.658 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.766 6.028 -3.119 1.00 0.00 H new ATOM 756 N ASP X 49 77.552 4.354 -6.496 1.00 0.00 N ATOM 757 CA ASP X 49 77.204 3.212 -7.208 1.00 0.00 C ATOM 758 C ASP X 49 75.935 2.735 -6.564 1.00 0.00 C ATOM 759 O ASP X 49 75.662 1.559 -6.473 1.00 0.00 O ATOM 760 CB ASP X 49 78.346 2.199 -7.093 1.00 0.00 C ATOM 761 CG ASP X 49 78.259 0.968 -7.967 1.00 0.00 C ATOM 762 OD1 ASP X 49 78.514 1.088 -9.200 1.00 0.00 O ATOM 763 OD2 ASP X 49 78.010 -0.142 -7.453 1.00 0.00 O ATOM 0 H ASP X 49 77.332 4.319 -5.501 1.00 0.00 H new ATOM 0 HA ASP X 49 77.046 3.378 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP X 49 79.280 2.713 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP X 49 78.408 1.874 -6.054 1.00 0.00 H new ATOM 768 N GLY X 50 75.172 3.732 -6.083 1.00 0.00 N ATOM 769 CA GLY X 50 73.930 3.531 -5.360 1.00 0.00 C ATOM 770 C GLY X 50 73.052 2.586 -6.021 1.00 0.00 C ATOM 771 O GLY X 50 72.803 1.496 -5.512 1.00 0.00 O ATOM 0 H GLY X 50 75.417 4.716 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.152 3.174 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.416 4.486 -5.253 1.00 0.00 H new ATOM 775 N THR X 51 72.642 2.904 -7.168 1.00 0.00 N ATOM 776 CA THR X 51 71.763 2.022 -7.776 1.00 0.00 C ATOM 777 C THR X 51 72.396 0.871 -8.464 1.00 0.00 C ATOM 778 O THR X 51 71.726 -0.108 -8.726 1.00 0.00 O ATOM 779 CB THR X 51 70.593 2.626 -8.502 1.00 0.00 C ATOM 780 OG1 THR X 51 70.974 3.844 -9.160 1.00 0.00 O ATOM 781 CG2 THR X 51 69.481 2.853 -7.509 1.00 0.00 C ATOM 0 H THR X 51 72.891 3.743 -7.693 1.00 0.00 H new ATOM 0 HA THR X 51 71.279 1.574 -6.908 1.00 0.00 H new ATOM 0 HB THR X 51 70.245 1.946 -9.280 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.199 4.220 -9.628 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.623 3.291 -8.018 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.192 1.901 -7.063 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.824 3.531 -6.727 1.00 0.00 H new ATOM 789 N ALA X 52 73.711 0.912 -8.681 1.00 0.00 N ATOM 790 CA ALA X 52 74.326 -0.236 -9.231 1.00 0.00 C ATOM 791 C ALA X 52 74.370 -1.311 -8.183 1.00 0.00 C ATOM 792 O ALA X 52 74.234 -2.457 -8.514 1.00 0.00 O ATOM 793 CB ALA X 52 75.660 0.062 -9.838 1.00 0.00 C ATOM 0 H ALA X 52 74.325 1.703 -8.486 1.00 0.00 H new ATOM 0 HA ALA X 52 73.729 -0.599 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.087 -0.854 -10.245 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.541 0.793 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.325 0.465 -9.074 1.00 0.00 H new ATOM 799 N LEU X 53 74.454 -0.909 -6.894 1.00 0.00 N ATOM 800 CA LEU X 53 74.350 -1.854 -5.792 1.00 0.00 C ATOM 801 C LEU X 53 73.025 -2.552 -5.808 1.00 0.00 C ATOM 802 O LEU X 53 72.960 -3.762 -5.638 1.00 0.00 O ATOM 803 CB LEU X 53 74.555 -1.213 -4.417 1.00 0.00 C ATOM 804 CG LEU X 53 75.961 -0.756 -4.075 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.001 -0.286 -2.652 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.961 -1.876 -4.280 1.00 0.00 C ATOM 0 H LEU X 53 74.593 0.060 -6.607 1.00 0.00 H new ATOM 0 HA LEU X 53 75.158 -2.570 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.891 -0.352 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.237 -1.928 -3.658 1.00 0.00 H new ATOM 0 HG LEU X 53 76.232 0.064 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.011 0.042 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.308 0.545 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.714 -1.103 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.961 -1.522 -4.028 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.701 -2.718 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.941 -2.195 -5.322 1.00 0.00 H new ATOM 818 N ILE X 54 71.963 -1.795 -6.042 1.00 0.00 N ATOM 819 CA ILE X 54 70.634 -2.393 -6.053 1.00 0.00 C ATOM 820 C ILE X 54 70.504 -3.330 -7.244 1.00 0.00 C ATOM 821 O ILE X 54 70.074 -4.487 -7.129 1.00 0.00 O ATOM 822 CB ILE X 54 69.483 -1.337 -6.118 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.453 -0.456 -4.859 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.134 -2.014 -6.340 1.00 0.00 C ATOM 825 CD1 ILE X 54 69.446 -1.234 -3.582 1.00 0.00 C ATOM 0 H ILE X 54 71.990 -0.791 -6.223 1.00 0.00 H new ATOM 0 HA ILE X 54 70.530 -2.934 -5.112 1.00 0.00 H new ATOM 0 HB ILE X 54 69.683 -0.687 -6.970 1.00 0.00 H new ATOM 0 HG12 ILE X 54 70.320 0.204 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE X 54 68.568 0.180 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.350 -1.258 -6.381 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.155 -2.567 -7.279 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.932 -2.701 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE X 54 69.425 -0.546 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.565 -1.874 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE X 54 70.344 -1.849 -3.526 1.00 0.00 H new ATOM 837 N TYR X 55 70.923 -2.824 -8.369 1.00 0.00 N ATOM 838 CA TYR X 55 70.826 -3.510 -9.622 1.00 0.00 C ATOM 839 C TYR X 55 71.651 -4.792 -9.662 1.00 0.00 C ATOM 840 O TYR X 55 71.157 -5.844 -10.117 1.00 0.00 O ATOM 841 CB TYR X 55 71.161 -2.563 -10.755 1.00 0.00 C ATOM 842 CG TYR X 55 70.006 -1.654 -11.165 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.335 -0.886 -10.226 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.584 -1.578 -12.486 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.296 -0.070 -10.571 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.533 -0.753 -12.849 1.00 0.00 C ATOM 847 CZ TYR X 55 67.892 -0.002 -11.885 1.00 0.00 C ATOM 848 OH TYR X 55 66.856 0.836 -12.240 1.00 0.00 O ATOM 0 H TYR X 55 71.351 -1.901 -8.440 1.00 0.00 H new ATOM 0 HA TYR X 55 69.794 -3.838 -9.747 1.00 0.00 H new ATOM 0 HB2 TYR X 55 72.009 -1.945 -10.460 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.477 -3.145 -11.621 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.643 -0.934 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.082 -2.170 -13.240 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.794 0.519 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.217 -0.698 -13.880 1.00 0.00 H new ATOM 0 HH TYR X 55 66.695 0.767 -13.204 1.00 0.00 H new ATOM 858 N GLU X 56 72.882 -4.730 -9.166 1.00 0.00 N ATOM 859 CA GLU X 56 73.709 -5.912 -9.094 1.00 0.00 C ATOM 860 C GLU X 56 73.147 -6.886 -8.088 1.00 0.00 C ATOM 861 O GLU X 56 73.215 -8.076 -8.300 1.00 0.00 O ATOM 862 CB GLU X 56 75.197 -5.638 -8.808 1.00 0.00 C ATOM 863 CG GLU X 56 75.488 -4.900 -7.522 1.00 0.00 C ATOM 864 CD GLU X 56 76.931 -4.965 -7.135 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.728 -4.111 -7.569 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.313 -5.887 -6.383 1.00 0.00 O ATOM 0 H GLU X 56 73.319 -3.879 -8.813 1.00 0.00 H new ATOM 0 HA GLU X 56 73.682 -6.348 -10.092 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.726 -6.591 -8.787 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.608 -5.063 -9.637 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.192 -3.857 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.881 -5.321 -6.720 1.00 0.00 H new ATOM 873 N ALA X 57 72.578 -6.372 -6.994 1.00 0.00 N ATOM 874 CA ALA X 57 72.018 -7.215 -5.940 1.00 0.00 C ATOM 875 C ALA X 57 70.967 -8.135 -6.486 1.00 0.00 C ATOM 876 O ALA X 57 70.955 -9.301 -6.150 1.00 0.00 O ATOM 877 CB ALA X 57 71.427 -6.388 -4.830 1.00 0.00 C ATOM 0 H ALA X 57 72.494 -5.371 -6.817 1.00 0.00 H new ATOM 0 HA ALA X 57 72.839 -7.808 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.019 -7.047 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.202 -5.758 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.631 -5.759 -5.229 1.00 0.00 H new ATOM 883 N ALA X 58 70.118 -7.612 -7.356 1.00 0.00 N ATOM 884 CA ALA X 58 69.073 -8.405 -7.989 1.00 0.00 C ATOM 885 C ALA X 58 69.682 -9.565 -8.787 1.00 0.00 C ATOM 886 O ALA X 58 69.235 -10.711 -8.679 1.00 0.00 O ATOM 887 CB ALA X 58 68.210 -7.528 -8.881 1.00 0.00 C ATOM 0 H ALA X 58 70.132 -6.633 -7.643 1.00 0.00 H new ATOM 0 HA ALA X 58 68.440 -8.828 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA X 58 67.434 -8.135 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.747 -6.744 -8.282 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.830 -7.075 -9.655 1.00 0.00 H new ATOM 893 N ALA X 59 70.735 -9.263 -9.540 1.00 0.00 N ATOM 894 CA ALA X 59 71.439 -10.269 -10.344 1.00 0.00 C ATOM 895 C ALA X 59 72.200 -11.257 -9.440 1.00 0.00 C ATOM 896 O ALA X 59 72.195 -12.470 -9.662 1.00 0.00 O ATOM 897 CB ALA X 59 72.398 -9.588 -11.311 1.00 0.00 C ATOM 0 H ALA X 59 71.126 -8.324 -9.613 1.00 0.00 H new ATOM 0 HA ALA X 59 70.701 -10.832 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA X 59 72.915 -10.343 -11.903 1.00 0.00 H new ATOM 0 HB2 ALA X 59 71.839 -8.928 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA X 59 73.128 -9.005 -10.749 1.00 0.00 H new ATOM 903 N ARG X 60 72.832 -10.722 -8.415 1.00 0.00 N ATOM 904 CA ARG X 60 73.580 -11.503 -7.435 1.00 0.00 C ATOM 905 C ARG X 60 72.657 -12.429 -6.659 1.00 0.00 C ATOM 906 O ARG X 60 73.027 -13.548 -6.349 1.00 0.00 O ATOM 907 CB ARG X 60 74.316 -10.575 -6.458 1.00 0.00 C ATOM 908 CG ARG X 60 75.469 -9.791 -7.058 1.00 0.00 C ATOM 909 CD ARG X 60 75.973 -8.717 -6.095 1.00 0.00 C ATOM 910 NE ARG X 60 76.488 -9.258 -4.827 1.00 0.00 N ATOM 911 CZ ARG X 60 77.059 -8.522 -3.850 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.287 -7.224 -4.031 1.00 0.00 N ATOM 913 NH2 ARG X 60 77.465 -9.105 -2.723 1.00 0.00 N ATOM 0 H ARG X 60 72.844 -9.719 -8.232 1.00 0.00 H new ATOM 0 HA ARG X 60 74.309 -12.107 -7.976 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.597 -9.871 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.696 -11.173 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG X 60 76.284 -10.471 -7.306 1.00 0.00 H new ATOM 0 HG3 ARG X 60 75.148 -9.325 -7.990 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.762 -8.144 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.161 -8.023 -5.881 1.00 0.00 H new ATOM 0 HE ARG X 60 76.408 -10.263 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.030 -6.779 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG X 60 77.719 -6.674 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.345 -10.110 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG X 60 77.896 -8.546 -1.986 1.00 0.00 H new ATOM 927 N ALA X 61 71.459 -11.951 -6.363 1.00 0.00 N ATOM 928 CA ALA X 61 70.467 -12.709 -5.611 1.00 0.00 C ATOM 929 C ALA X 61 69.839 -13.796 -6.455 1.00 0.00 C ATOM 930 O ALA X 61 69.418 -14.822 -5.926 1.00 0.00 O ATOM 931 CB ALA X 61 69.388 -11.790 -5.078 1.00 0.00 C ATOM 0 H ALA X 61 71.144 -11.021 -6.639 1.00 0.00 H new ATOM 0 HA ALA X 61 70.984 -13.181 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.656 -12.374 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.837 -11.045 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.893 -11.289 -5.910 1.00 0.00 H new ATOM 937 N ALA X 62 69.774 -13.565 -7.762 1.00 0.00 N ATOM 938 CA ALA X 62 69.228 -14.538 -8.698 1.00 0.00 C ATOM 939 C ALA X 62 69.999 -15.843 -8.597 1.00 0.00 C ATOM 940 O ALA X 62 69.418 -16.914 -8.437 1.00 0.00 O ATOM 941 CB ALA X 62 69.292 -13.994 -10.109 1.00 0.00 C ATOM 0 H ALA X 62 70.097 -12.702 -8.200 1.00 0.00 H new ATOM 0 HA ALA X 62 68.185 -14.728 -8.446 1.00 0.00 H new ATOM 0 HB1 ALA X 62 68.881 -14.729 -10.801 1.00 0.00 H new ATOM 0 HB2 ALA X 62 68.712 -13.073 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA X 62 70.329 -13.787 -10.373 1.00 0.00 H new ATOM 947 N ALA X 63 71.305 -15.737 -8.644 1.00 0.00 N ATOM 948 CA ALA X 63 72.158 -16.886 -8.485 1.00 0.00 C ATOM 949 C ALA X 63 72.250 -17.243 -7.003 1.00 0.00 C ATOM 950 O ALA X 63 71.968 -18.375 -6.606 1.00 0.00 O ATOM 951 CB ALA X 63 73.534 -16.600 -9.064 1.00 0.00 C ATOM 0 H ALA X 63 71.802 -14.859 -8.792 1.00 0.00 H new ATOM 0 HA ALA X 63 71.737 -17.734 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA X 63 74.171 -17.476 -8.938 1.00 0.00 H new ATOM 0 HB2 ALA X 63 73.441 -16.368 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA X 63 73.978 -15.751 -8.544 1.00 0.00 H new ATOM 957 N ASN X 64 72.603 -16.239 -6.204 1.00 0.00 N ATOM 958 CA ASN X 64 72.747 -16.326 -4.744 1.00 0.00 C ATOM 959 C ASN X 64 73.861 -17.283 -4.307 1.00 0.00 C ATOM 960 O ASN X 64 73.668 -18.502 -4.239 1.00 0.00 O ATOM 961 CB ASN X 64 71.414 -16.647 -4.036 1.00 0.00 C ATOM 962 CG ASN X 64 71.539 -16.697 -2.515 1.00 0.00 C ATOM 963 OD1 ASN X 64 71.829 -17.741 -1.928 1.00 0.00 O ATOM 964 ND2 ASN X 64 71.283 -15.590 -1.865 1.00 0.00 N ATOM 0 H ASN X 64 72.805 -15.306 -6.564 1.00 0.00 H new ATOM 0 HA ASN X 64 73.050 -15.329 -4.423 1.00 0.00 H new ATOM 0 HB2 ASN X 64 70.674 -15.894 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.041 -17.606 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN X 64 71.321 -15.577 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN X 64 71.046 -14.741 -2.378 1.00 0.00 H new ATOM 971 N PRO X 65 75.074 -16.754 -4.108 1.00 0.00 N ATOM 972 CA PRO X 65 76.185 -17.519 -3.550 1.00 0.00 C ATOM 973 C PRO X 65 76.056 -17.613 -2.023 1.00 0.00 C ATOM 974 O PRO X 65 75.132 -17.031 -1.436 1.00 0.00 O ATOM 975 CB PRO X 65 77.430 -16.690 -3.926 1.00 0.00 C ATOM 976 CG PRO X 65 76.933 -15.581 -4.794 1.00 0.00 C ATOM 977 CD PRO X 65 75.485 -15.396 -4.452 1.00 0.00 C ATOM 0 HA PRO X 65 76.224 -18.541 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO X 65 77.923 -16.299 -3.036 1.00 0.00 H new ATOM 0 HB3 PRO X 65 78.162 -17.301 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO X 65 77.495 -14.665 -4.614 1.00 0.00 H new ATOM 0 HG3 PRO X 65 77.055 -15.828 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO X 65 75.348 -14.706 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO X 65 74.916 -14.999 -5.292 1.00 0.00 H new ATOM 985 N GLY X 66 76.967 -18.319 -1.389 1.00 0.00 N ATOM 986 CA GLY X 66 76.933 -18.459 0.052 1.00 0.00 C ATOM 987 C GLY X 66 77.580 -17.296 0.738 1.00 0.00 C ATOM 988 O GLY X 66 78.137 -16.414 0.071 1.00 0.00 O ATOM 0 H GLY X 66 77.739 -18.804 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY X 66 75.899 -18.548 0.384 1.00 0.00 H new ATOM 0 HA3 GLY X 66 77.441 -19.380 0.340 1.00 0.00 H new ATOM 992 N GLY X 67 77.520 -17.281 2.047 1.00 0.00 N ATOM 993 CA GLY X 67 78.120 -16.213 2.789 1.00 0.00 C ATOM 994 C GLY X 67 77.336 -14.935 2.620 1.00 0.00 C ATOM 995 O GLY X 67 76.100 -14.939 2.740 1.00 0.00 O ATOM 0 H GLY X 67 77.063 -17.995 2.614 1.00 0.00 H new ATOM 0 HA2 GLY X 67 78.166 -16.479 3.845 1.00 0.00 H new ATOM 0 HA3 GLY X 67 79.146 -16.062 2.453 1.00 0.00 H new ATOM 999 N ASP X 68 78.016 -13.855 2.312 1.00 0.00 N ATOM 1000 CA ASP X 68 77.336 -12.600 2.065 1.00 0.00 C ATOM 1001 C ASP X 68 76.968 -12.533 0.610 1.00 0.00 C ATOM 1002 O ASP X 68 77.739 -12.045 -0.223 1.00 0.00 O ATOM 1003 CB ASP X 68 78.173 -11.361 2.445 1.00 0.00 C ATOM 1004 CG ASP X 68 78.512 -11.261 3.911 1.00 0.00 C ATOM 1005 OD1 ASP X 68 77.629 -10.939 4.732 1.00 0.00 O ATOM 1006 OD2 ASP X 68 79.675 -11.479 4.273 1.00 0.00 O ATOM 0 H ASP X 68 79.032 -13.817 2.226 1.00 0.00 H new ATOM 0 HA ASP X 68 76.451 -12.578 2.701 1.00 0.00 H new ATOM 0 HB2 ASP X 68 79.099 -11.374 1.871 1.00 0.00 H new ATOM 0 HB3 ASP X 68 77.627 -10.465 2.149 1.00 0.00 H new ATOM 1011 N GLY X 69 75.843 -13.105 0.286 1.00 0.00 N ATOM 1012 CA GLY X 69 75.385 -13.113 -1.073 1.00 0.00 C ATOM 1013 C GLY X 69 74.604 -11.867 -1.399 1.00 0.00 C ATOM 1014 O GLY X 69 74.379 -11.020 -0.523 1.00 0.00 O ATOM 0 H GLY X 69 75.224 -13.573 0.948 1.00 0.00 H new ATOM 0 HA2 GLY X 69 76.239 -13.195 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY X 69 74.760 -13.990 -1.243 1.00 0.00 H new ATOM 1018 N GLY X 70 74.203 -11.736 -2.643 1.00 0.00 N ATOM 1019 CA GLY X 70 73.399 -10.611 -3.050 1.00 0.00 C ATOM 1020 C GLY X 70 72.059 -10.630 -2.370 1.00 0.00 C ATOM 1021 O GLY X 70 71.452 -11.692 -2.248 1.00 0.00 O ATOM 0 H GLY X 70 74.422 -12.396 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.919 -9.683 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.262 -10.630 -4.131 1.00 0.00 H new ATOM 1025 N GLY X 71 71.621 -9.493 -1.902 1.00 0.00 N ATOM 1026 CA GLY X 71 70.375 -9.405 -1.244 1.00 0.00 C ATOM 1027 C GLY X 71 70.281 -8.123 -0.462 1.00 0.00 C ATOM 1028 O GLY X 71 71.291 -7.404 -0.318 1.00 0.00 O ATOM 0 H GLY X 71 72.128 -8.611 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.567 -9.452 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.250 -10.256 -0.575 1.00 0.00 H new ATOM 1032 N PRO X 72 69.103 -7.823 0.067 1.00 0.00 N ATOM 1033 CA PRO X 72 68.825 -6.591 0.798 1.00 0.00 C ATOM 1034 C PRO X 72 69.714 -6.395 2.026 1.00 0.00 C ATOM 1035 O PRO X 72 70.322 -5.366 2.194 1.00 0.00 O ATOM 1036 CB PRO X 72 67.360 -6.731 1.212 1.00 0.00 C ATOM 1037 CG PRO X 72 67.032 -8.175 1.049 1.00 0.00 C ATOM 1038 CD PRO X 72 67.923 -8.685 -0.035 1.00 0.00 C ATOM 0 HA PRO X 72 69.026 -5.717 0.178 1.00 0.00 H new ATOM 0 HB2 PRO X 72 67.212 -6.410 2.243 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.716 -6.110 0.589 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.199 -8.719 1.978 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.983 -8.308 0.785 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.177 -9.735 0.113 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.451 -8.607 -1.014 1.00 0.00 H new ATOM 1046 N GLU X 73 69.831 -7.401 2.834 1.00 0.00 N ATOM 1047 CA GLU X 73 70.596 -7.327 4.060 1.00 0.00 C ATOM 1048 C GLU X 73 72.112 -7.382 3.803 1.00 0.00 C ATOM 1049 O GLU X 73 72.914 -7.315 4.736 1.00 0.00 O ATOM 1050 CB GLU X 73 70.111 -8.400 5.020 1.00 0.00 C ATOM 1051 CG GLU X 73 68.627 -8.240 5.307 1.00 0.00 C ATOM 1052 CD GLU X 73 68.025 -9.366 6.098 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.060 -9.345 7.329 1.00 0.00 O ATOM 1054 OE2 GLU X 73 67.450 -10.270 5.480 1.00 0.00 O ATOM 0 H GLU X 73 69.398 -8.310 2.669 1.00 0.00 H new ATOM 0 HA GLU X 73 70.428 -6.357 4.528 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.299 -9.386 4.595 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.674 -8.342 5.951 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.472 -7.307 5.849 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.094 -8.151 4.361 1.00 0.00 H new ATOM 1061 N GLY X 74 72.496 -7.474 2.542 1.00 0.00 N ATOM 1062 CA GLY X 74 73.900 -7.432 2.218 1.00 0.00 C ATOM 1063 C GLY X 74 74.320 -6.174 1.469 1.00 0.00 C ATOM 1064 O GLY X 74 75.482 -5.778 1.521 1.00 0.00 O ATOM 0 H GLY X 74 71.867 -7.576 1.746 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.478 -7.506 3.139 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.150 -8.304 1.614 1.00 0.00 H new ATOM 1068 N ILE X 75 73.388 -5.530 0.786 1.00 0.00 N ATOM 1069 CA ILE X 75 73.699 -4.265 0.099 1.00 0.00 C ATOM 1070 C ILE X 75 73.937 -3.153 1.118 1.00 0.00 C ATOM 1071 O ILE X 75 74.755 -2.272 0.914 1.00 0.00 O ATOM 1072 CB ILE X 75 72.615 -3.873 -0.943 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.216 -3.921 -0.313 1.00 0.00 C ATOM 1074 CG2 ILE X 75 72.717 -4.755 -2.157 1.00 0.00 C ATOM 1075 CD1 ILE X 75 70.034 -3.835 -1.265 1.00 0.00 C ATOM 0 H ILE X 75 72.423 -5.846 0.687 1.00 0.00 H new ATOM 0 HA ILE X 75 74.619 -4.414 -0.467 1.00 0.00 H new ATOM 0 HB ILE X 75 72.787 -2.846 -1.266 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.130 -4.848 0.253 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.137 -3.102 0.402 1.00 0.00 H new ATOM 0 HG21 ILE X 75 71.952 -4.470 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE X 75 73.703 -4.640 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.570 -5.795 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE X 75 69.105 -3.880 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE X 75 70.078 -2.895 -1.815 1.00 0.00 H new ATOM 0 HD13 ILE X 75 70.071 -4.668 -1.967 1.00 0.00 H new ATOM 1087 N VAL X 76 73.241 -3.252 2.237 1.00 0.00 N ATOM 1088 CA VAL X 76 73.424 -2.358 3.390 1.00 0.00 C ATOM 1089 C VAL X 76 74.812 -2.475 3.936 1.00 0.00 C ATOM 1090 O VAL X 76 75.460 -1.494 4.298 1.00 0.00 O ATOM 1091 CB VAL X 76 72.398 -2.701 4.491 1.00 0.00 C ATOM 1092 CG1 VAL X 76 72.116 -4.155 4.597 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.654 -2.055 5.844 1.00 0.00 C ATOM 0 H VAL X 76 72.522 -3.961 2.382 1.00 0.00 H new ATOM 0 HA VAL X 76 73.267 -1.332 3.058 1.00 0.00 H new ATOM 0 HB VAL X 76 71.482 -2.228 4.138 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.387 -4.328 5.389 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.716 -4.518 3.650 1.00 0.00 H new ATOM 0 HG13 VAL X 76 73.038 -4.688 4.829 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.877 -2.360 6.546 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.627 -2.371 6.220 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.641 -0.970 5.738 1.00 0.00 H new ATOM 1103 N LYS X 77 75.239 -3.676 3.990 1.00 0.00 N ATOM 1104 CA LYS X 77 76.574 -4.023 4.421 1.00 0.00 C ATOM 1105 C LYS X 77 77.617 -3.330 3.530 1.00 0.00 C ATOM 1106 O LYS X 77 78.581 -2.765 4.026 1.00 0.00 O ATOM 1107 CB LYS X 77 76.754 -5.540 4.397 1.00 0.00 C ATOM 1108 CG LYS X 77 78.155 -6.021 4.709 1.00 0.00 C ATOM 1109 CD LYS X 77 78.259 -7.522 4.530 1.00 0.00 C ATOM 1110 CE LYS X 77 79.693 -8.002 4.652 1.00 0.00 C ATOM 1111 NZ LYS X 77 80.556 -7.461 3.584 1.00 0.00 N ATOM 0 H LYS X 77 74.670 -4.482 3.733 1.00 0.00 H new ATOM 0 HA LYS X 77 76.720 -3.677 5.444 1.00 0.00 H new ATOM 0 HB2 LYS X 77 76.065 -5.984 5.115 1.00 0.00 H new ATOM 0 HB3 LYS X 77 76.470 -5.909 3.412 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.870 -5.522 4.055 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.417 -5.753 5.732 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.643 -8.022 5.278 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.864 -7.801 3.553 1.00 0.00 H new ATOM 0 HE2 LYS X 77 80.091 -7.707 5.623 1.00 0.00 H new ATOM 0 HE3 LYS X 77 79.714 -9.091 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 81.430 -8.021 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.054 -7.509 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 80.793 -6.471 3.797 1.00 0.00 H new ATOM 1125 N GLU X 78 77.368 -3.322 2.229 1.00 0.00 N ATOM 1126 CA GLU X 78 78.277 -2.696 1.273 1.00 0.00 C ATOM 1127 C GLU X 78 78.324 -1.180 1.524 1.00 0.00 C ATOM 1128 O GLU X 78 79.372 -0.529 1.384 1.00 0.00 O ATOM 1129 CB GLU X 78 77.827 -3.004 -0.170 1.00 0.00 C ATOM 1130 CG GLU X 78 78.932 -2.851 -1.191 1.00 0.00 C ATOM 1131 CD GLU X 78 80.076 -3.781 -0.886 1.00 0.00 C ATOM 1132 OE1 GLU X 78 79.902 -5.012 -1.009 1.00 0.00 O ATOM 1133 OE2 GLU X 78 81.134 -3.317 -0.459 1.00 0.00 O ATOM 0 H GLU X 78 76.541 -3.743 1.807 1.00 0.00 H new ATOM 0 HA GLU X 78 79.280 -3.102 1.406 1.00 0.00 H new ATOM 0 HB2 GLU X 78 77.442 -4.023 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.004 -2.341 -0.435 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.544 -3.060 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.287 -1.821 -1.197 1.00 0.00 H new ATOM 1140 N ILE X 79 77.194 -0.646 1.944 1.00 0.00 N ATOM 1141 CA ILE X 79 77.065 0.762 2.260 1.00 0.00 C ATOM 1142 C ILE X 79 77.824 1.112 3.544 1.00 0.00 C ATOM 1143 O ILE X 79 78.573 2.110 3.577 1.00 0.00 O ATOM 1144 CB ILE X 79 75.573 1.168 2.432 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.760 0.923 1.140 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.447 2.613 2.899 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.190 1.745 -0.053 1.00 0.00 C ATOM 0 H ILE X 79 76.335 -1.180 2.076 1.00 0.00 H new ATOM 0 HA ILE X 79 77.494 1.314 1.424 1.00 0.00 H new ATOM 0 HB ILE X 79 75.149 0.528 3.206 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.831 -0.133 0.879 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.710 1.130 1.345 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.393 2.869 3.011 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.952 2.731 3.857 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.905 3.274 2.163 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.560 1.502 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.091 2.805 0.181 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.230 1.522 -0.293 1.00 0.00 H new ATOM 1159 N LYS X 80 77.658 0.287 4.592 1.00 0.00 N ATOM 1160 CA LYS X 80 78.293 0.579 5.881 1.00 0.00 C ATOM 1161 C LYS X 80 79.799 0.574 5.730 1.00 0.00 C ATOM 1162 O LYS X 80 80.482 1.394 6.316 1.00 0.00 O ATOM 1163 CB LYS X 80 77.861 -0.386 7.032 1.00 0.00 C ATOM 1164 CG LYS X 80 78.365 -1.811 6.925 1.00 0.00 C ATOM 1165 CD LYS X 80 78.031 -2.640 8.163 1.00 0.00 C ATOM 1166 CE LYS X 80 76.533 -2.800 8.398 1.00 0.00 C ATOM 1167 NZ LYS X 80 76.268 -3.680 9.558 1.00 0.00 N ATOM 0 H LYS X 80 77.102 -0.568 4.571 1.00 0.00 H new ATOM 0 HA LYS X 80 77.948 1.570 6.174 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.206 0.031 7.978 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.772 -0.408 7.072 1.00 0.00 H new ATOM 0 HG2 LYS X 80 77.927 -2.283 6.046 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.445 -1.802 6.778 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.483 -3.627 8.063 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.480 -2.170 9.038 1.00 0.00 H new ATOM 0 HE2 LYS X 80 76.082 -1.823 8.568 1.00 0.00 H new ATOM 0 HE3 LYS X 80 76.064 -3.217 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 75.246 -3.855 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.765 -4.584 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.607 -3.220 10.427 1.00 0.00 H new ATOM 1181 N GLU X 81 80.293 -0.318 4.896 1.00 0.00 N ATOM 1182 CA GLU X 81 81.706 -0.438 4.666 1.00 0.00 C ATOM 1183 C GLU X 81 82.253 0.778 3.953 1.00 0.00 C ATOM 1184 O GLU X 81 83.271 1.328 4.354 1.00 0.00 O ATOM 1185 CB GLU X 81 82.011 -1.688 3.864 1.00 0.00 C ATOM 1186 CG GLU X 81 81.674 -2.979 4.569 1.00 0.00 C ATOM 1187 CD GLU X 81 81.959 -4.166 3.706 1.00 0.00 C ATOM 1188 OE1 GLU X 81 83.146 -4.421 3.405 1.00 0.00 O ATOM 1189 OE2 GLU X 81 81.029 -4.883 3.332 1.00 0.00 O ATOM 0 H GLU X 81 79.723 -0.975 4.363 1.00 0.00 H new ATOM 0 HA GLU X 81 82.193 -0.511 5.639 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.459 -1.646 2.925 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.071 -1.693 3.611 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.250 -3.052 5.491 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.621 -2.977 4.850 1.00 0.00 H new ATOM 1196 N TRP X 82 81.539 1.228 2.942 1.00 0.00 N ATOM 1197 CA TRP X 82 81.991 2.334 2.123 1.00 0.00 C ATOM 1198 C TRP X 82 82.023 3.620 2.916 1.00 0.00 C ATOM 1199 O TRP X 82 83.028 4.321 2.932 1.00 0.00 O ATOM 1200 CB TRP X 82 81.052 2.503 0.925 1.00 0.00 C ATOM 1201 CG TRP X 82 81.444 3.586 -0.051 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.252 3.443 -1.135 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.022 4.971 -0.047 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.351 4.631 -1.808 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.614 5.580 -1.163 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.204 5.746 0.788 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.417 6.918 -1.474 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.015 7.080 0.480 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.616 7.653 -0.646 1.00 0.00 C ATOM 0 H TRP X 82 80.636 0.841 2.666 1.00 0.00 H new ATOM 0 HA TRP X 82 83.001 2.113 1.779 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.998 1.555 0.389 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.050 2.716 1.297 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.744 2.526 -1.423 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.892 4.783 -2.659 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.731 5.309 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.881 7.364 -2.341 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.393 7.690 1.119 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.444 8.696 -0.865 1.00 0.00 H new ATOM 1220 N ARG X 83 80.946 3.909 3.614 1.00 0.00 N ATOM 1221 CA ARG X 83 80.849 5.172 4.302 1.00 0.00 C ATOM 1222 C ARG X 83 81.788 5.201 5.503 1.00 0.00 C ATOM 1223 O ARG X 83 82.464 6.205 5.745 1.00 0.00 O ATOM 1224 CB ARG X 83 79.405 5.481 4.684 1.00 0.00 C ATOM 1225 CG ARG X 83 79.092 6.973 4.811 1.00 0.00 C ATOM 1226 CD ARG X 83 77.612 7.295 4.556 1.00 0.00 C ATOM 1227 NE ARG X 83 77.268 8.645 5.039 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.812 9.706 4.326 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.632 9.647 3.002 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.503 10.822 4.971 1.00 0.00 N ATOM 0 H ARG X 83 80.138 3.295 3.718 1.00 0.00 H new ATOM 0 HA ARG X 83 81.168 5.964 3.624 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.743 5.045 3.936 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.180 4.993 5.632 1.00 0.00 H new ATOM 0 HG2 ARG X 83 79.366 7.313 5.810 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.707 7.530 4.104 1.00 0.00 H new ATOM 0 HD2 ARG X 83 77.400 7.223 3.489 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.985 6.557 5.056 1.00 0.00 H new ATOM 0 HE ARG X 83 77.388 8.802 6.040 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.839 8.785 2.497 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.288 10.464 2.497 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.610 10.872 5.984 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.159 11.631 4.454 1.00 0.00 H new ATOM 1244 N ALA X 84 81.878 4.080 6.211 1.00 0.00 N ATOM 1245 CA ALA X 84 82.744 3.981 7.387 1.00 0.00 C ATOM 1246 C ALA X 84 84.222 4.040 7.011 1.00 0.00 C ATOM 1247 O ALA X 84 84.995 4.744 7.658 1.00 0.00 O ATOM 1248 CB ALA X 84 82.452 2.733 8.201 1.00 0.00 C ATOM 0 H ALA X 84 81.364 3.226 5.994 1.00 0.00 H new ATOM 0 HA ALA X 84 82.521 4.848 8.009 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.116 2.698 9.064 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.416 2.754 8.541 1.00 0.00 H new ATOM 0 HB3 ALA X 84 82.613 1.850 7.583 1.00 0.00 H new ATOM 1254 N ALA X 85 84.614 3.334 5.957 1.00 0.00 N ATOM 1255 CA ALA X 85 86.010 3.336 5.524 1.00 0.00 C ATOM 1256 C ALA X 85 86.392 4.688 4.955 1.00 0.00 C ATOM 1257 O ALA X 85 87.539 5.120 5.073 1.00 0.00 O ATOM 1258 CB ALA X 85 86.277 2.235 4.514 1.00 0.00 C ATOM 0 H ALA X 85 83.993 2.757 5.390 1.00 0.00 H new ATOM 0 HA ALA X 85 86.630 3.142 6.399 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.324 2.264 4.212 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.056 1.267 4.964 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.643 2.382 3.639 1.00 0.00 H new ATOM 1264 N ASN X 86 85.419 5.359 4.356 1.00 0.00 N ATOM 1265 CA ASN X 86 85.629 6.691 3.792 1.00 0.00 C ATOM 1266 C ASN X 86 85.841 7.691 4.941 1.00 0.00 C ATOM 1267 O ASN X 86 86.567 8.678 4.809 1.00 0.00 O ATOM 1268 CB ASN X 86 84.399 7.121 2.971 1.00 0.00 C ATOM 1269 CG ASN X 86 84.690 8.218 1.955 1.00 0.00 C ATOM 1270 OD1 ASN X 86 85.603 9.016 2.112 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.875 8.292 0.929 1.00 0.00 N ATOM 0 H ASN X 86 84.470 5.003 4.246 1.00 0.00 H new ATOM 0 HA ASN X 86 86.503 6.671 3.141 1.00 0.00 H new ATOM 0 HB2 ASN X 86 84.001 6.251 2.448 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.622 7.467 3.653 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.994 9.030 0.235 1.00 0.00 H new ATOM 0 HD22 ASN X 86 83.122 7.611 0.825 1.00 0.00 H new ATOM 1278 N GLY X 87 85.218 7.404 6.073 1.00 0.00 N ATOM 1279 CA GLY X 87 85.321 8.262 7.231 1.00 0.00 C ATOM 1280 C GLY X 87 84.121 9.165 7.353 1.00 0.00 C ATOM 1281 O GLY X 87 84.210 10.276 7.871 1.00 0.00 O ATOM 0 H GLY X 87 84.634 6.579 6.210 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.413 7.653 8.130 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.226 8.865 7.160 1.00 0.00 H new ATOM 1285 N LYS X 88 82.992 8.696 6.871 1.00 0.00 N ATOM 1286 CA LYS X 88 81.812 9.436 6.845 1.00 0.00 C ATOM 1287 C LYS X 88 80.780 8.732 7.722 1.00 0.00 C ATOM 1288 O LYS X 88 80.755 7.501 7.749 1.00 0.00 O ATOM 1289 CB LYS X 88 81.392 9.471 5.391 1.00 0.00 C ATOM 1290 CG LYS X 88 82.262 10.391 4.534 1.00 0.00 C ATOM 1291 CD LYS X 88 82.156 10.120 3.036 1.00 0.00 C ATOM 1292 CE LYS X 88 80.777 10.362 2.461 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.302 11.752 2.676 1.00 0.00 N ATOM 0 H LYS X 88 82.897 7.758 6.482 1.00 0.00 H new ATOM 0 HA LYS X 88 81.923 10.450 7.229 1.00 0.00 H new ATOM 0 HB2 LYS X 88 81.432 8.461 4.984 1.00 0.00 H new ATOM 0 HB3 LYS X 88 80.355 9.800 5.327 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.980 11.426 4.727 1.00 0.00 H new ATOM 0 HG3 LYS X 88 83.302 10.281 4.841 1.00 0.00 H new ATOM 0 HD2 LYS X 88 82.873 10.752 2.512 1.00 0.00 H new ATOM 0 HD3 LYS X 88 82.442 9.086 2.843 1.00 0.00 H new ATOM 0 HE2 LYS X 88 80.791 10.149 1.392 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.071 9.667 2.916 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.418 11.902 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.131 11.908 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 81.024 12.421 2.340 1.00 0.00 H new ATOM 1307 N PRO X 89 79.963 9.487 8.485 1.00 0.00 N ATOM 1308 CA PRO X 89 78.923 8.922 9.374 1.00 0.00 C ATOM 1309 C PRO X 89 77.987 7.972 8.629 1.00 0.00 C ATOM 1310 O PRO X 89 77.325 8.374 7.676 1.00 0.00 O ATOM 1311 CB PRO X 89 78.147 10.162 9.871 1.00 0.00 C ATOM 1312 CG PRO X 89 78.589 11.286 8.990 1.00 0.00 C ATOM 1313 CD PRO X 89 79.987 10.954 8.572 1.00 0.00 C ATOM 0 HA PRO X 89 79.357 8.330 10.180 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.071 10.007 9.799 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.370 10.372 10.917 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.935 11.384 8.123 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.556 12.236 9.523 1.00 0.00 H new ATOM 0 HD2 PRO X 89 80.242 11.411 7.616 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.720 11.304 9.299 1.00 0.00 H new ATOM 1321 N GLY X 90 77.960 6.723 9.047 1.00 0.00 N ATOM 1322 CA GLY X 90 77.161 5.729 8.370 1.00 0.00 C ATOM 1323 C GLY X 90 75.806 5.543 9.006 1.00 0.00 C ATOM 1324 O GLY X 90 75.054 6.512 9.177 1.00 0.00 O ATOM 0 H GLY X 90 78.482 6.375 9.851 1.00 0.00 H new ATOM 0 HA2 GLY X 90 77.032 6.020 7.328 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.693 4.778 8.372 1.00 0.00 H new ATOM 1328 N PHE X 91 75.499 4.319 9.371 1.00 0.00 N ATOM 1329 CA PHE X 91 74.211 4.006 9.969 1.00 0.00 C ATOM 1330 C PHE X 91 74.260 4.238 11.440 1.00 0.00 C ATOM 1331 O PHE X 91 75.339 4.241 12.049 1.00 0.00 O ATOM 1332 CB PHE X 91 73.825 2.540 9.758 1.00 0.00 C ATOM 1333 CG PHE X 91 73.735 2.116 8.345 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.698 2.544 7.557 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.688 1.285 7.801 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.612 2.149 6.255 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.600 0.890 6.490 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.562 1.324 5.719 1.00 0.00 C ATOM 0 H PHE X 91 76.122 3.518 9.266 1.00 0.00 H new ATOM 0 HA PHE X 91 73.477 4.652 9.487 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.556 1.911 10.265 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.863 2.360 10.238 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.945 3.198 7.970 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.511 0.941 8.410 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.789 2.489 5.644 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.351 0.237 6.070 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.490 1.016 4.686 1.00 0.00 H new ATOM 1348 N LYS X 92 73.117 4.410 12.029 1.00 0.00 N ATOM 1349 CA LYS X 92 73.042 4.499 13.407 1.00 0.00 C ATOM 1350 C LYS X 92 72.852 3.089 13.932 1.00 0.00 C ATOM 1351 O LYS X 92 72.663 2.144 13.152 1.00 0.00 O ATOM 1352 CB LYS X 92 71.907 5.405 13.827 1.00 0.00 C ATOM 1353 CG LYS X 92 70.512 4.833 13.699 1.00 0.00 C ATOM 1354 CD LYS X 92 69.453 5.762 14.305 1.00 0.00 C ATOM 1355 CE LYS X 92 69.688 5.991 15.797 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.626 6.804 16.421 1.00 0.00 N ATOM 0 H LYS X 92 72.223 4.490 11.544 1.00 0.00 H new ATOM 0 HA LYS X 92 73.952 4.936 13.819 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.065 5.693 14.866 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.959 6.317 13.232 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.285 4.662 12.647 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.471 3.863 14.195 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.467 6.719 13.783 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.463 5.332 14.155 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.748 5.028 16.304 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.649 6.486 15.938 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.834 6.929 17.432 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.584 7.734 15.958 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.711 6.322 16.313 1.00 0.00 H new ATOM 1370 N GLN X 93 72.897 2.931 15.198 1.00 0.00 N ATOM 1371 CA GLN X 93 72.817 1.658 15.782 1.00 0.00 C ATOM 1372 C GLN X 93 71.652 1.545 16.715 1.00 0.00 C ATOM 1373 O GLN X 93 71.393 2.441 17.532 1.00 0.00 O ATOM 1374 CB GLN X 93 74.089 1.406 16.500 1.00 0.00 C ATOM 1375 CG GLN X 93 75.257 1.047 15.595 1.00 0.00 C ATOM 1376 CD GLN X 93 75.004 -0.220 14.792 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.322 -1.323 15.233 1.00 0.00 O ATOM 1378 NE2 GLN X 93 74.416 -0.082 13.628 1.00 0.00 N ATOM 0 H GLN X 93 72.992 3.697 15.865 1.00 0.00 H new ATOM 0 HA GLN X 93 72.663 0.912 15.003 1.00 0.00 H new ATOM 0 HB2 GLN X 93 74.350 2.294 17.076 1.00 0.00 H new ATOM 0 HB3 GLN X 93 73.936 0.597 17.214 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.450 1.874 14.912 1.00 0.00 H new ATOM 0 HG3 GLN X 93 76.154 0.917 16.200 1.00 0.00 H new ATOM 0 HE21 GLN X 93 74.165 0.847 13.290 1.00 0.00 H new ATOM 0 HE22 GLN X 93 74.210 -0.904 13.060 1.00 0.00 H new ATOM 1387 N GLY X 94 70.964 0.470 16.572 1.00 0.00 N ATOM 1388 CA GLY X 94 69.843 0.151 17.391 1.00 0.00 C ATOM 1389 C GLY X 94 69.626 -1.342 17.397 1.00 0.00 C ATOM 1390 O GLY X 94 69.123 -1.889 18.390 1.00 0.00 O ATOM 1391 OXT GLY X 94 69.989 -2.010 16.399 1.00 0.00 O ATOM 0 H GLY X 94 71.168 -0.234 15.863 1.00 0.00 H new ATOM 0 HA2 GLY X 94 70.010 0.508 18.407 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.952 0.656 17.018 1.00 0.00 H new TER 1395 GLY X 94