USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=16 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 167:sc= 0.126 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -1.63! K(o=-1.5!,f=-5.7) USER MOD Single : X 4 LYS NZ :NH3+ -125:sc= 1.27 (180deg=0.107) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot -36:sc= 0.357 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.465 USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.14) USER MOD Single : X 26 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : X 30 THR OG1 : rot 97:sc= -0.776 USER MOD Single : X 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 45 THR OG1 : rot -99:sc= 0.567 USER MOD Single : X 47 HIS :FLIP no HE2:sc= -1.58 F(o=-2.9,f=-1.6) 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= -0.509 K(o=-0.51,f=-6.1!) USER MOD Single : X 77 LYS NZ :NH3+ -149:sc= 1.17 (180deg=0.953) USER MOD Single : X 80 LYS NZ :NH3+ 166:sc= -0.0229 (180deg=-0.209) USER MOD Single : X 86 ASN :FLIP amide:sc= -0.702 F(o=-1.6!,f=-0.7) USER MOD Single : X 88 LYS NZ :NH3+ -171:sc= -0.014 (180deg=-0.115) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU X 2 60.423 2.154 8.212 1.00 0.00 N ATOM 2 CA GLU X 2 59.983 3.411 7.626 1.00 0.00 C ATOM 3 C GLU X 2 61.146 4.039 6.945 1.00 0.00 C ATOM 4 O GLU X 2 62.291 3.675 7.221 1.00 0.00 O ATOM 5 CB GLU X 2 59.431 4.359 8.696 1.00 0.00 C ATOM 6 CG GLU X 2 58.242 3.805 9.451 1.00 0.00 C ATOM 7 CD GLU X 2 57.166 3.328 8.523 1.00 0.00 C ATOM 8 OE1 GLU X 2 56.393 4.144 8.008 1.00 0.00 O ATOM 9 OE2 GLU X 2 57.105 2.115 8.264 1.00 0.00 O ATOM 0 HA GLU X 2 59.181 3.215 6.914 1.00 0.00 H new ATOM 0 HB2 GLU X 2 60.224 4.591 9.407 1.00 0.00 H new ATOM 0 HB3 GLU X 2 59.143 5.298 8.222 1.00 0.00 H new ATOM 0 HG2 GLU X 2 58.567 2.980 10.085 1.00 0.00 H new ATOM 0 HG3 GLU X 2 57.839 4.574 10.110 1.00 0.00 H new ATOM 16 N LEU X 3 60.881 4.971 6.083 1.00 0.00 N ATOM 17 CA LEU X 3 61.924 5.636 5.371 1.00 0.00 C ATOM 18 C LEU X 3 62.329 6.853 6.135 1.00 0.00 C ATOM 19 O LEU X 3 61.483 7.631 6.590 1.00 0.00 O ATOM 20 CB LEU X 3 61.468 6.053 3.982 1.00 0.00 C ATOM 21 CG LEU X 3 60.938 4.948 3.080 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.733 5.470 1.660 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.878 3.767 3.095 1.00 0.00 C ATOM 0 H LEU X 3 59.939 5.290 5.855 1.00 0.00 H new ATOM 0 HA LEU X 3 62.762 4.948 5.264 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.689 6.807 4.091 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.307 6.532 3.477 1.00 0.00 H new ATOM 0 HG LEU X 3 59.971 4.618 3.458 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.354 4.667 1.028 1.00 0.00 H new ATOM 0 HD12 LEU X 3 60.015 6.290 1.674 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.683 5.826 1.263 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.488 2.983 2.446 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.860 4.079 2.738 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.966 3.385 4.112 1.00 0.00 H new ATOM 35 N LYS X 4 63.595 7.007 6.304 1.00 0.00 N ATOM 36 CA LYS X 4 64.134 8.114 7.025 1.00 0.00 C ATOM 37 C LYS X 4 64.460 9.222 6.047 1.00 0.00 C ATOM 38 O LYS X 4 64.012 9.211 4.906 1.00 0.00 O ATOM 39 CB LYS X 4 65.416 7.698 7.743 1.00 0.00 C ATOM 40 CG LYS X 4 65.349 6.409 8.535 1.00 0.00 C ATOM 41 CD LYS X 4 64.095 6.272 9.321 1.00 0.00 C ATOM 42 CE LYS X 4 64.292 5.254 10.409 1.00 0.00 C ATOM 43 NZ LYS X 4 63.027 4.761 10.989 1.00 0.00 N ATOM 0 H LYS X 4 64.297 6.362 5.942 1.00 0.00 H new ATOM 0 HA LYS X 4 63.404 8.455 7.759 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.209 7.604 7.001 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.706 8.502 8.420 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.436 5.565 7.851 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.202 6.361 9.212 1.00 0.00 H new ATOM 0 HD2 LYS X 4 63.818 7.233 9.754 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.276 5.969 8.669 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.853 4.409 10.008 1.00 0.00 H new ATOM 0 HE3 LYS X 4 64.899 5.693 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.040 4.900 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.229 5.287 10.579 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.919 3.748 10.777 1.00 0.00 H new ATOM 57 N ASN X 5 65.198 10.196 6.485 1.00 0.00 N ATOM 58 CA ASN X 5 65.637 11.224 5.568 1.00 0.00 C ATOM 59 C ASN X 5 67.143 11.245 5.477 1.00 0.00 C ATOM 60 O ASN X 5 67.725 12.026 4.741 1.00 0.00 O ATOM 61 CB ASN X 5 65.050 12.598 5.910 1.00 0.00 C ATOM 62 CG ASN X 5 63.529 12.608 5.805 1.00 0.00 C ATOM 63 OD1 ASN X 5 62.820 12.373 6.790 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.016 12.821 4.619 1.00 0.00 N ATOM 0 H ASN X 5 65.508 10.308 7.450 1.00 0.00 H new ATOM 0 HA ASN X 5 65.251 10.977 4.579 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.346 12.878 6.921 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.465 13.348 5.237 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.005 12.796 4.489 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.628 13.012 3.826 1.00 0.00 H new ATOM 71 N SER X 6 67.776 10.361 6.219 1.00 0.00 N ATOM 72 CA SER X 6 69.203 10.215 6.174 1.00 0.00 C ATOM 73 C SER X 6 69.598 8.803 6.564 1.00 0.00 C ATOM 74 O SER X 6 68.830 8.108 7.247 1.00 0.00 O ATOM 75 CB SER X 6 69.878 11.235 7.069 1.00 0.00 C ATOM 76 OG SER X 6 69.386 11.143 8.400 1.00 0.00 O ATOM 0 H SER X 6 67.310 9.727 6.868 1.00 0.00 H new ATOM 0 HA SER X 6 69.538 10.396 5.153 1.00 0.00 H new ATOM 0 HB2 SER X 6 70.956 11.074 7.063 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.704 12.238 6.681 1.00 0.00 H new ATOM 0 HG SER X 6 69.836 11.808 8.962 1.00 0.00 H new ATOM 82 N ILE X 7 70.795 8.395 6.163 1.00 0.00 N ATOM 83 CA ILE X 7 71.313 7.051 6.427 1.00 0.00 C ATOM 84 C ILE X 7 71.565 6.854 7.936 1.00 0.00 C ATOM 85 O ILE X 7 71.483 5.753 8.458 1.00 0.00 O ATOM 86 CB ILE X 7 72.647 6.815 5.629 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.105 5.344 5.696 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.761 7.748 6.120 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.391 5.064 4.948 1.00 0.00 C ATOM 0 H ILE X 7 71.441 8.988 5.642 1.00 0.00 H new ATOM 0 HA ILE X 7 70.568 6.326 6.098 1.00 0.00 H new ATOM 0 HB ILE X 7 72.438 7.049 4.585 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.236 5.062 6.741 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.316 4.710 5.291 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.670 7.561 5.549 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.454 8.785 5.983 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.952 7.562 7.177 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.645 4.008 5.044 1.00 0.00 H new ATOM 0 HD12 ILE X 7 74.261 5.312 3.895 1.00 0.00 H new ATOM 0 HD13 ILE X 7 75.195 5.670 5.367 1.00 0.00 H new ATOM 101 N SER X 8 71.774 7.947 8.627 1.00 0.00 N ATOM 102 CA SER X 8 72.144 7.918 10.013 1.00 0.00 C ATOM 103 C SER X 8 70.924 7.824 10.928 1.00 0.00 C ATOM 104 O SER X 8 71.050 7.803 12.146 1.00 0.00 O ATOM 105 CB SER X 8 73.001 9.139 10.311 1.00 0.00 C ATOM 106 OG SER X 8 74.109 9.166 9.409 1.00 0.00 O ATOM 0 H SER X 8 71.691 8.886 8.238 1.00 0.00 H new ATOM 0 HA SER X 8 72.726 7.019 10.215 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.409 10.048 10.206 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.356 9.107 11.341 1.00 0.00 H new ATOM 0 HG SER X 8 74.410 8.250 9.234 1.00 0.00 H new ATOM 112 N ASP X 9 69.743 7.782 10.345 1.00 0.00 N ATOM 113 CA ASP X 9 68.528 7.590 11.134 1.00 0.00 C ATOM 114 C ASP X 9 68.093 6.159 10.928 1.00 0.00 C ATOM 115 O ASP X 9 67.137 5.674 11.525 1.00 0.00 O ATOM 116 CB ASP X 9 67.405 8.501 10.653 1.00 0.00 C ATOM 117 CG ASP X 9 66.336 8.756 11.702 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.590 9.528 12.645 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.204 8.257 11.566 1.00 0.00 O ATOM 0 H ASP X 9 69.592 7.876 9.341 1.00 0.00 H new ATOM 0 HA ASP X 9 68.732 7.820 12.180 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.831 9.455 10.341 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.940 8.057 9.773 1.00 0.00 H new ATOM 124 N TYR X 10 68.856 5.478 10.111 1.00 0.00 N ATOM 125 CA TYR X 10 68.547 4.146 9.678 1.00 0.00 C ATOM 126 C TYR X 10 69.284 3.171 10.499 1.00 0.00 C ATOM 127 O TYR X 10 70.493 3.264 10.631 1.00 0.00 O ATOM 128 CB TYR X 10 68.934 3.900 8.194 1.00 0.00 C ATOM 129 CG TYR X 10 67.857 4.166 7.165 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.869 3.226 6.935 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.826 5.334 6.424 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.880 3.434 6.004 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.829 5.559 5.491 1.00 0.00 C ATOM 134 CZ TYR X 10 65.862 4.601 5.291 1.00 0.00 C ATOM 135 OH TYR X 10 64.856 4.828 4.403 1.00 0.00 O ATOM 0 H TYR X 10 69.725 5.844 9.723 1.00 0.00 H new ATOM 0 HA TYR X 10 67.469 4.025 9.785 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.795 4.525 7.957 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.255 2.863 8.092 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.875 2.306 7.501 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.591 6.081 6.576 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.123 2.682 5.837 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.810 6.479 4.925 1.00 0.00 H new ATOM 0 HH TYR X 10 64.864 5.770 4.133 1.00 0.00 H new ATOM 145 N THR X 11 68.577 2.272 11.088 1.00 0.00 N ATOM 146 CA THR X 11 69.201 1.166 11.702 1.00 0.00 C ATOM 147 C THR X 11 69.529 0.247 10.576 1.00 0.00 C ATOM 148 O THR X 11 68.937 0.374 9.476 1.00 0.00 O ATOM 149 CB THR X 11 68.264 0.476 12.719 1.00 0.00 C ATOM 150 OG1 THR X 11 67.035 0.102 12.079 1.00 0.00 O ATOM 151 CG2 THR X 11 67.959 1.406 13.878 1.00 0.00 C ATOM 0 H THR X 11 67.559 2.286 11.155 1.00 0.00 H new ATOM 0 HA THR X 11 70.083 1.463 12.269 1.00 0.00 H new ATOM 0 HB THR X 11 68.766 -0.414 13.098 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.447 -0.336 12.730 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.298 0.903 14.584 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.887 1.678 14.381 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.472 2.307 13.504 1.00 0.00 H new ATOM 159 N GLU X 12 70.445 -0.630 10.788 1.00 0.00 N ATOM 160 CA GLU X 12 70.839 -1.547 9.768 1.00 0.00 C ATOM 161 C GLU X 12 69.621 -2.341 9.261 1.00 0.00 C ATOM 162 O GLU X 12 69.429 -2.476 8.076 1.00 0.00 O ATOM 163 CB GLU X 12 72.000 -2.445 10.246 1.00 0.00 C ATOM 164 CG GLU X 12 71.704 -3.450 11.360 1.00 0.00 C ATOM 165 CD GLU X 12 71.067 -2.884 12.603 1.00 0.00 C ATOM 166 OE1 GLU X 12 69.832 -2.805 12.661 1.00 0.00 O ATOM 167 OE2 GLU X 12 71.784 -2.551 13.551 1.00 0.00 O ATOM 0 H GLU X 12 70.945 -0.736 11.671 1.00 0.00 H new ATOM 0 HA GLU X 12 71.225 -0.989 8.915 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.374 -2.998 9.384 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.809 -1.797 10.584 1.00 0.00 H new ATOM 0 HG2 GLU X 12 71.050 -4.225 10.960 1.00 0.00 H new ATOM 0 HG3 GLU X 12 72.638 -3.936 11.642 1.00 0.00 H new ATOM 174 N ALA X 13 68.760 -2.750 10.175 1.00 0.00 N ATOM 175 CA ALA X 13 67.551 -3.464 9.836 1.00 0.00 C ATOM 176 C ALA X 13 66.509 -2.567 9.119 1.00 0.00 C ATOM 177 O ALA X 13 65.820 -3.038 8.220 1.00 0.00 O ATOM 178 CB ALA X 13 66.972 -4.154 11.046 1.00 0.00 C ATOM 0 H ALA X 13 68.884 -2.594 11.175 1.00 0.00 H new ATOM 0 HA ALA X 13 67.825 -4.235 9.116 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.063 -4.684 10.762 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.698 -4.865 11.442 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.737 -3.413 11.810 1.00 0.00 H new ATOM 184 N GLU X 14 66.370 -1.292 9.531 1.00 0.00 N ATOM 185 CA GLU X 14 65.485 -0.344 8.798 1.00 0.00 C ATOM 186 C GLU X 14 65.956 -0.210 7.368 1.00 0.00 C ATOM 187 O GLU X 14 65.161 -0.161 6.424 1.00 0.00 O ATOM 188 CB GLU X 14 65.474 1.062 9.449 1.00 0.00 C ATOM 189 CG GLU X 14 64.480 1.243 10.582 1.00 0.00 C ATOM 190 CD GLU X 14 63.048 1.248 10.098 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.507 0.187 9.801 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.411 2.345 10.040 1.00 0.00 O ATOM 0 H GLU X 14 66.842 -0.895 10.344 1.00 0.00 H new ATOM 0 HA GLU X 14 64.474 -0.749 8.836 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.474 1.278 9.826 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.259 1.800 8.677 1.00 0.00 H new ATOM 0 HG2 GLU X 14 64.612 0.442 11.309 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.689 2.180 11.099 1.00 0.00 H new ATOM 199 N PHE X 15 67.252 -0.190 7.217 1.00 0.00 N ATOM 200 CA PHE X 15 67.856 -0.011 5.943 1.00 0.00 C ATOM 201 C PHE X 15 67.756 -1.294 5.110 1.00 0.00 C ATOM 202 O PHE X 15 67.447 -1.232 3.922 1.00 0.00 O ATOM 203 CB PHE X 15 69.292 0.461 6.124 1.00 0.00 C ATOM 204 CG PHE X 15 69.912 1.032 4.896 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.388 2.163 4.299 1.00 0.00 C ATOM 206 CD2 PHE X 15 71.025 0.460 4.359 1.00 0.00 C ATOM 207 CE1 PHE X 15 69.978 2.696 3.179 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.621 0.984 3.240 1.00 0.00 C ATOM 209 CZ PHE X 15 71.094 2.102 2.653 1.00 0.00 C ATOM 0 H PHE X 15 67.915 -0.299 7.984 1.00 0.00 H new ATOM 0 HA PHE X 15 67.322 0.759 5.386 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.318 1.213 6.912 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.897 -0.379 6.465 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.509 2.631 4.716 1.00 0.00 H new ATOM 0 HD2 PHE X 15 71.445 -0.421 4.822 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.564 3.579 2.716 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.502 0.517 2.825 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.560 2.517 1.772 1.00 0.00 H new ATOM 219 N VAL X 16 67.984 -2.463 5.737 1.00 0.00 N ATOM 220 CA VAL X 16 67.831 -3.742 5.026 1.00 0.00 C ATOM 221 C VAL X 16 66.386 -3.926 4.583 1.00 0.00 C ATOM 222 O VAL X 16 66.131 -4.497 3.540 1.00 0.00 O ATOM 223 CB VAL X 16 68.317 -5.003 5.831 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.731 -4.868 6.316 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.367 -5.422 6.937 1.00 0.00 C ATOM 0 H VAL X 16 68.269 -2.547 6.713 1.00 0.00 H new ATOM 0 HA VAL X 16 68.490 -3.677 4.160 1.00 0.00 H new ATOM 0 HB VAL X 16 68.308 -5.822 5.112 1.00 0.00 H new ATOM 0 HG11 VAL X 16 70.015 -5.766 6.865 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.397 -4.738 5.463 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.809 -4.001 6.973 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.767 -6.297 7.448 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.255 -4.605 7.650 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.395 -5.665 6.509 1.00 0.00 H new ATOM 235 N GLN X 17 65.452 -3.407 5.381 1.00 0.00 N ATOM 236 CA GLN X 17 64.060 -3.463 5.082 1.00 0.00 C ATOM 237 C GLN X 17 63.769 -2.670 3.828 1.00 0.00 C ATOM 238 O GLN X 17 63.082 -3.158 2.924 1.00 0.00 O ATOM 239 CB GLN X 17 63.276 -2.892 6.228 1.00 0.00 C ATOM 240 CG GLN X 17 61.821 -2.875 5.953 1.00 0.00 C ATOM 241 CD GLN X 17 61.039 -2.204 7.018 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.604 -2.835 7.975 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.823 -0.944 6.862 1.00 0.00 N ATOM 0 H GLN X 17 65.666 -2.934 6.259 1.00 0.00 H new ATOM 0 HA GLN X 17 63.771 -4.502 4.924 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.468 -3.479 7.126 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.618 -1.877 6.431 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.642 -2.369 5.004 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.466 -3.899 5.840 1.00 0.00 H new ATOM 0 HE21 GLN X 17 61.204 -0.458 6.050 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.271 -0.432 7.550 1.00 0.00 H new ATOM 252 N LEU X 18 64.312 -1.457 3.774 1.00 0.00 N ATOM 253 CA LEU X 18 64.163 -0.601 2.618 1.00 0.00 C ATOM 254 C LEU X 18 64.686 -1.316 1.398 1.00 0.00 C ATOM 255 O LEU X 18 64.013 -1.417 0.399 1.00 0.00 O ATOM 256 CB LEU X 18 64.947 0.706 2.835 1.00 0.00 C ATOM 257 CG LEU X 18 65.213 1.582 1.589 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.931 2.036 0.923 1.00 0.00 C ATOM 259 CD2 LEU X 18 66.093 2.765 1.941 1.00 0.00 C ATOM 0 H LEU X 18 64.863 -1.049 4.529 1.00 0.00 H new ATOM 0 HA LEU X 18 63.109 -0.362 2.474 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.405 1.309 3.563 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.908 0.454 3.283 1.00 0.00 H new ATOM 0 HG LEU X 18 65.742 0.961 0.866 1.00 0.00 H new ATOM 0 HD11 LEU X 18 64.170 2.648 0.053 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.357 1.165 0.607 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.342 2.622 1.629 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.267 3.367 1.049 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.599 3.373 2.699 1.00 0.00 H new ATOM 0 HD23 LEU X 18 67.047 2.407 2.328 1.00 0.00 H new ATOM 271 N LEU X 19 65.849 -1.874 1.544 1.00 0.00 N ATOM 272 CA LEU X 19 66.501 -2.649 0.490 1.00 0.00 C ATOM 273 C LEU X 19 65.686 -3.865 0.038 1.00 0.00 C ATOM 274 O LEU X 19 65.680 -4.199 -1.158 1.00 0.00 O ATOM 275 CB LEU X 19 67.903 -3.047 0.901 1.00 0.00 C ATOM 276 CG LEU X 19 69.036 -2.100 0.481 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.085 -1.937 -1.034 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.933 -0.755 1.151 1.00 0.00 C ATOM 0 H LEU X 19 66.393 -1.813 2.404 1.00 0.00 H new ATOM 0 HA LEU X 19 66.566 -1.994 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.925 -3.145 1.986 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.112 -4.034 0.488 1.00 0.00 H new ATOM 0 HG LEU X 19 69.967 -2.561 0.812 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.897 -1.261 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.254 -2.908 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.139 -1.525 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.756 -0.121 0.822 1.00 0.00 H new ATOM 0 HD22 LEU X 19 67.985 -0.287 0.884 1.00 0.00 H new ATOM 0 HD23 LEU X 19 68.983 -0.882 2.232 1.00 0.00 H new ATOM 290 N LYS X 20 65.004 -4.525 0.976 1.00 0.00 N ATOM 291 CA LYS X 20 64.121 -5.638 0.629 1.00 0.00 C ATOM 292 C LYS X 20 63.034 -5.124 -0.282 1.00 0.00 C ATOM 293 O LYS X 20 62.729 -5.709 -1.317 1.00 0.00 O ATOM 294 CB LYS X 20 63.427 -6.247 1.854 1.00 0.00 C ATOM 295 CG LYS X 20 64.337 -6.879 2.867 1.00 0.00 C ATOM 296 CD LYS X 20 63.547 -7.593 3.956 1.00 0.00 C ATOM 297 CE LYS X 20 64.462 -8.319 4.932 1.00 0.00 C ATOM 298 NZ LYS X 20 63.702 -9.000 6.008 1.00 0.00 N ATOM 0 H LYS X 20 65.046 -4.310 1.972 1.00 0.00 H new ATOM 0 HA LYS X 20 64.739 -6.403 0.160 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.850 -5.466 2.348 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.717 -6.999 1.510 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.999 -7.589 2.371 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.970 -6.114 3.317 1.00 0.00 H new ATOM 0 HD2 LYS X 20 62.938 -6.869 4.498 1.00 0.00 H new ATOM 0 HD3 LYS X 20 62.862 -8.307 3.499 1.00 0.00 H new ATOM 0 HE2 LYS X 20 65.060 -9.053 4.391 1.00 0.00 H new ATOM 0 HE3 LYS X 20 65.157 -7.606 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 64.364 -9.481 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.151 -8.298 6.542 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.057 -9.699 5.588 1.00 0.00 H new ATOM 312 N GLU X 21 62.469 -4.002 0.117 1.00 0.00 N ATOM 313 CA GLU X 21 61.430 -3.357 -0.625 1.00 0.00 C ATOM 314 C GLU X 21 61.923 -2.882 -1.983 1.00 0.00 C ATOM 315 O GLU X 21 61.231 -3.020 -2.979 1.00 0.00 O ATOM 316 CB GLU X 21 60.793 -2.233 0.194 1.00 0.00 C ATOM 317 CG GLU X 21 60.006 -2.740 1.400 1.00 0.00 C ATOM 318 CD GLU X 21 59.364 -1.633 2.201 1.00 0.00 C ATOM 319 OE1 GLU X 21 58.668 -0.789 1.617 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.494 -1.617 3.452 1.00 0.00 O ATOM 0 H GLU X 21 62.728 -3.516 0.975 1.00 0.00 H new ATOM 0 HA GLU X 21 60.649 -4.091 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.574 -1.554 0.537 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.129 -1.655 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU X 21 59.232 -3.427 1.058 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.673 -3.308 2.048 1.00 0.00 H new ATOM 327 N ILE X 22 63.144 -2.400 -2.035 1.00 0.00 N ATOM 328 CA ILE X 22 63.711 -1.921 -3.277 1.00 0.00 C ATOM 329 C ILE X 22 63.835 -3.041 -4.309 1.00 0.00 C ATOM 330 O ILE X 22 63.455 -2.859 -5.461 1.00 0.00 O ATOM 331 CB ILE X 22 65.086 -1.229 -3.102 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.994 -0.118 -2.067 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.520 -0.646 -4.426 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.256 0.713 -1.898 1.00 0.00 C ATOM 0 H ILE X 22 63.766 -2.329 -1.230 1.00 0.00 H new ATOM 0 HA ILE X 22 63.009 -1.169 -3.637 1.00 0.00 H new ATOM 0 HB ILE X 22 65.813 -1.966 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.175 0.546 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.737 -0.560 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.487 -0.158 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.603 -1.443 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.783 0.084 -4.761 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.089 1.477 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE X 22 67.078 0.067 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.507 1.191 -2.845 1.00 0.00 H new ATOM 346 N GLU X 23 64.320 -4.210 -3.887 1.00 0.00 N ATOM 347 CA GLU X 23 64.504 -5.325 -4.820 1.00 0.00 C ATOM 348 C GLU X 23 63.157 -5.784 -5.326 1.00 0.00 C ATOM 349 O GLU X 23 62.979 -6.121 -6.487 1.00 0.00 O ATOM 350 CB GLU X 23 65.240 -6.507 -4.156 1.00 0.00 C ATOM 351 CG GLU X 23 64.400 -7.462 -3.307 1.00 0.00 C ATOM 352 CD GLU X 23 65.118 -8.744 -3.010 1.00 0.00 C ATOM 353 OE1 GLU X 23 64.977 -9.711 -3.799 1.00 0.00 O ATOM 354 OE2 GLU X 23 65.810 -8.830 -1.979 1.00 0.00 O ATOM 0 H GLU X 23 64.589 -4.409 -2.923 1.00 0.00 H new ATOM 0 HA GLU X 23 65.117 -4.974 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.723 -7.088 -4.941 1.00 0.00 H new ATOM 0 HB3 GLU X 23 66.032 -6.102 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU X 23 64.134 -6.972 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU X 23 63.468 -7.683 -3.828 1.00 0.00 H new ATOM 361 N LYS X 24 62.216 -5.705 -4.447 1.00 0.00 N ATOM 362 CA LYS X 24 60.905 -6.174 -4.642 1.00 0.00 C ATOM 363 C LYS X 24 60.157 -5.273 -5.607 1.00 0.00 C ATOM 364 O LYS X 24 59.645 -5.740 -6.621 1.00 0.00 O ATOM 365 CB LYS X 24 60.283 -6.219 -3.287 1.00 0.00 C ATOM 366 CG LYS X 24 58.918 -6.888 -3.223 1.00 0.00 C ATOM 367 CD LYS X 24 58.487 -7.161 -1.782 1.00 0.00 C ATOM 368 CE LYS X 24 58.392 -5.894 -0.942 1.00 0.00 C ATOM 369 NZ LYS X 24 57.377 -4.953 -1.442 1.00 0.00 N ATOM 0 H LYS X 24 62.359 -5.288 -3.527 1.00 0.00 H new ATOM 0 HA LYS X 24 60.880 -7.165 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS X 24 60.959 -6.743 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS X 24 60.188 -5.199 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS X 24 58.178 -6.252 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.946 -7.826 -3.778 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.519 -7.662 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS X 24 59.198 -7.846 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS X 24 58.156 -6.163 0.088 1.00 0.00 H new ATOM 0 HE3 LYS X 24 59.363 -5.400 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 57.367 -4.103 -0.844 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.604 -4.685 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.441 -5.406 -1.416 1.00 0.00 H new ATOM 383 N GLU X 25 60.162 -3.982 -5.335 1.00 0.00 N ATOM 384 CA GLU X 25 59.549 -3.012 -6.203 1.00 0.00 C ATOM 385 C GLU X 25 60.285 -2.921 -7.544 1.00 0.00 C ATOM 386 O GLU X 25 59.748 -2.407 -8.529 1.00 0.00 O ATOM 387 CB GLU X 25 59.457 -1.643 -5.512 1.00 0.00 C ATOM 388 CG GLU X 25 58.292 -1.490 -4.511 1.00 0.00 C ATOM 389 CD GLU X 25 58.186 -2.538 -3.419 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.757 -3.668 -3.702 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.461 -2.232 -2.249 1.00 0.00 O ATOM 0 H GLU X 25 60.594 -3.582 -4.502 1.00 0.00 H new ATOM 0 HA GLU X 25 58.533 -3.344 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.393 -1.455 -4.987 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.361 -0.873 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.378 -0.513 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.358 -1.490 -5.074 1.00 0.00 H new ATOM 398 N ASN X 26 61.504 -3.428 -7.574 1.00 0.00 N ATOM 399 CA ASN X 26 62.293 -3.483 -8.790 1.00 0.00 C ATOM 400 C ASN X 26 61.884 -4.674 -9.636 1.00 0.00 C ATOM 401 O ASN X 26 61.571 -4.521 -10.810 1.00 0.00 O ATOM 402 CB ASN X 26 63.801 -3.551 -8.484 1.00 0.00 C ATOM 403 CG ASN X 26 64.655 -3.596 -9.737 1.00 0.00 C ATOM 404 OD1 ASN X 26 64.965 -4.660 -10.248 1.00 0.00 O ATOM 405 ND2 ASN X 26 65.031 -2.450 -10.242 1.00 0.00 N ATOM 0 H ASN X 26 61.975 -3.813 -6.755 1.00 0.00 H new ATOM 0 HA ASN X 26 62.101 -2.565 -9.346 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.085 -2.684 -7.887 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.005 -4.435 -7.879 1.00 0.00 H new ATOM 0 HD21 ASN X 26 65.601 -2.428 -11.088 1.00 0.00 H new ATOM 0 HD22 ASN X 26 64.755 -1.578 -9.790 1.00 0.00 H new ATOM 412 N VAL X 27 61.848 -5.852 -9.032 1.00 0.00 N ATOM 413 CA VAL X 27 61.514 -7.075 -9.760 1.00 0.00 C ATOM 414 C VAL X 27 60.027 -7.147 -10.104 1.00 0.00 C ATOM 415 O VAL X 27 59.635 -7.815 -11.061 1.00 0.00 O ATOM 416 CB VAL X 27 61.972 -8.372 -9.025 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.472 -8.348 -8.790 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.224 -8.587 -7.711 1.00 0.00 C ATOM 0 H VAL X 27 62.045 -5.991 -8.041 1.00 0.00 H new ATOM 0 HA VAL X 27 62.078 -7.022 -10.691 1.00 0.00 H new ATOM 0 HB VAL X 27 61.729 -9.214 -9.673 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.774 -9.260 -8.276 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.989 -8.282 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.731 -7.484 -8.178 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.578 -9.502 -7.237 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.404 -7.741 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.156 -8.671 -7.910 1.00 0.00 H new ATOM 428 N ALA X 28 59.198 -6.487 -9.313 1.00 0.00 N ATOM 429 CA ALA X 28 57.775 -6.397 -9.614 1.00 0.00 C ATOM 430 C ALA X 28 57.551 -5.267 -10.605 1.00 0.00 C ATOM 431 O ALA X 28 56.565 -5.250 -11.342 1.00 0.00 O ATOM 432 CB ALA X 28 56.967 -6.161 -8.345 1.00 0.00 C ATOM 0 H ALA X 28 59.482 -6.006 -8.460 1.00 0.00 H new ATOM 0 HA ALA X 28 57.439 -7.338 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.908 -6.097 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.128 -6.987 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.286 -5.229 -7.878 1.00 0.00 H new ATOM 438 N ALA X 29 58.520 -4.353 -10.625 1.00 0.00 N ATOM 439 CA ALA X 29 58.545 -3.178 -11.480 1.00 0.00 C ATOM 440 C ALA X 29 57.370 -2.254 -11.212 1.00 0.00 C ATOM 441 O ALA X 29 56.351 -2.283 -11.912 1.00 0.00 O ATOM 442 CB ALA X 29 58.672 -3.536 -12.955 1.00 0.00 C ATOM 0 H ALA X 29 59.339 -4.418 -10.021 1.00 0.00 H new ATOM 0 HA ALA X 29 59.447 -2.623 -11.220 1.00 0.00 H new ATOM 0 HB1 ALA X 29 58.686 -2.623 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA X 29 59.597 -4.089 -13.117 1.00 0.00 H new ATOM 0 HB3 ALA X 29 57.824 -4.152 -13.254 1.00 0.00 H new ATOM 448 N THR X 30 57.485 -1.490 -10.156 1.00 0.00 N ATOM 449 CA THR X 30 56.444 -0.564 -9.774 1.00 0.00 C ATOM 450 C THR X 30 56.711 0.796 -10.391 1.00 0.00 C ATOM 451 O THR X 30 55.792 1.567 -10.670 1.00 0.00 O ATOM 452 CB THR X 30 56.382 -0.436 -8.249 1.00 0.00 C ATOM 453 OG1 THR X 30 57.649 0.042 -7.760 1.00 0.00 O ATOM 454 CG2 THR X 30 56.120 -1.787 -7.631 1.00 0.00 C ATOM 0 H THR X 30 58.297 -1.490 -9.538 1.00 0.00 H new ATOM 0 HA THR X 30 55.488 -0.943 -10.136 1.00 0.00 H new ATOM 0 HB THR X 30 55.583 0.257 -7.985 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.604 1.012 -7.629 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.077 -1.689 -6.546 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.171 -2.177 -7.998 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.923 -2.473 -7.902 1.00 0.00 H new ATOM 462 N ASP X 31 57.993 1.059 -10.614 1.00 0.00 N ATOM 463 CA ASP X 31 58.529 2.266 -11.198 1.00 0.00 C ATOM 464 C ASP X 31 58.387 3.506 -10.359 1.00 0.00 C ATOM 465 O ASP X 31 59.382 4.152 -10.066 1.00 0.00 O ATOM 466 CB ASP X 31 58.058 2.515 -12.611 1.00 0.00 C ATOM 467 CG ASP X 31 58.447 1.435 -13.575 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.647 1.181 -13.744 1.00 0.00 O ATOM 469 OD2 ASP X 31 57.565 0.796 -14.160 1.00 0.00 O ATOM 0 H ASP X 31 58.724 0.389 -10.375 1.00 0.00 H new ATOM 0 HA ASP X 31 59.598 2.055 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP X 31 56.973 2.616 -12.610 1.00 0.00 H new ATOM 0 HB3 ASP X 31 58.466 3.464 -12.959 1.00 0.00 H new ATOM 474 N ASP X 32 57.190 3.836 -9.951 1.00 0.00 N ATOM 475 CA ASP X 32 56.955 5.089 -9.235 1.00 0.00 C ATOM 476 C ASP X 32 57.588 5.085 -7.854 1.00 0.00 C ATOM 477 O ASP X 32 58.285 6.026 -7.496 1.00 0.00 O ATOM 478 CB ASP X 32 55.467 5.467 -9.159 1.00 0.00 C ATOM 479 CG ASP X 32 54.641 4.590 -8.248 1.00 0.00 C ATOM 480 OD1 ASP X 32 54.660 3.355 -8.403 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.974 5.132 -7.344 1.00 0.00 O ATOM 0 H ASP X 32 56.357 3.265 -10.095 1.00 0.00 H new ATOM 0 HA ASP X 32 57.447 5.862 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.385 6.500 -8.820 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.044 5.426 -10.163 1.00 0.00 H new ATOM 486 N VAL X 33 57.391 4.028 -7.092 1.00 0.00 N ATOM 487 CA VAL X 33 57.982 3.980 -5.753 1.00 0.00 C ATOM 488 C VAL X 33 59.372 3.459 -5.833 1.00 0.00 C ATOM 489 O VAL X 33 60.233 3.859 -5.090 1.00 0.00 O ATOM 490 CB VAL X 33 57.143 3.188 -4.722 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.886 1.762 -5.146 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.750 3.244 -3.322 1.00 0.00 C ATOM 0 H VAL X 33 56.844 3.209 -7.358 1.00 0.00 H new ATOM 0 HA VAL X 33 57.995 5.004 -5.380 1.00 0.00 H new ATOM 0 HB VAL X 33 56.174 3.686 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.293 1.257 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.343 1.756 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.836 1.242 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.127 2.674 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.753 2.817 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.804 4.281 -2.990 1.00 0.00 H new ATOM 502 N LEU X 34 59.590 2.628 -6.804 1.00 0.00 N ATOM 503 CA LEU X 34 60.892 2.067 -7.068 1.00 0.00 C ATOM 504 C LEU X 34 61.869 3.193 -7.340 1.00 0.00 C ATOM 505 O LEU X 34 62.968 3.185 -6.826 1.00 0.00 O ATOM 506 CB LEU X 34 60.774 1.121 -8.259 1.00 0.00 C ATOM 507 CG LEU X 34 62.000 0.302 -8.682 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.835 1.058 -9.669 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.829 -0.133 -7.479 1.00 0.00 C ATOM 0 H LEU X 34 58.864 2.312 -7.447 1.00 0.00 H new ATOM 0 HA LEU X 34 61.262 1.503 -6.212 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.968 0.420 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.460 1.712 -9.119 1.00 0.00 H new ATOM 0 HG LEU X 34 61.637 -0.603 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.698 0.455 -9.953 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.240 1.279 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.176 1.990 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.688 -0.711 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.175 0.748 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.217 -0.748 -6.819 1.00 0.00 H new ATOM 521 N ASP X 35 61.425 4.184 -8.088 1.00 0.00 N ATOM 522 CA ASP X 35 62.258 5.345 -8.403 1.00 0.00 C ATOM 523 C ASP X 35 62.620 6.064 -7.156 1.00 0.00 C ATOM 524 O ASP X 35 63.770 6.452 -6.976 1.00 0.00 O ATOM 525 CB ASP X 35 61.555 6.289 -9.345 1.00 0.00 C ATOM 526 CG ASP X 35 62.432 7.407 -9.872 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.308 7.146 -10.735 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.216 8.569 -9.479 1.00 0.00 O ATOM 0 H ASP X 35 60.490 4.215 -8.494 1.00 0.00 H new ATOM 0 HA ASP X 35 63.161 4.983 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.165 5.719 -10.189 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.698 6.725 -8.832 1.00 0.00 H new ATOM 533 N VAL X 36 61.640 6.187 -6.278 1.00 0.00 N ATOM 534 CA VAL X 36 61.819 6.838 -5.000 1.00 0.00 C ATOM 535 C VAL X 36 62.869 6.138 -4.234 1.00 0.00 C ATOM 536 O VAL X 36 63.789 6.740 -3.745 1.00 0.00 O ATOM 537 CB VAL X 36 60.579 6.692 -4.120 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.770 7.397 -2.847 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.397 7.188 -4.766 1.00 0.00 C ATOM 0 H VAL X 36 60.696 5.836 -6.436 1.00 0.00 H new ATOM 0 HA VAL X 36 62.048 7.882 -5.216 1.00 0.00 H new ATOM 0 HB VAL X 36 60.442 5.626 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.878 7.284 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.628 6.976 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.946 8.455 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.541 7.064 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.526 8.245 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.226 6.632 -5.688 1.00 0.00 H new ATOM 549 N LEU X 37 62.730 4.852 -4.186 1.00 0.00 N ATOM 550 CA LEU X 37 63.562 4.028 -3.398 1.00 0.00 C ATOM 551 C LEU X 37 64.966 4.080 -3.886 1.00 0.00 C ATOM 552 O LEU X 37 65.896 4.183 -3.098 1.00 0.00 O ATOM 553 CB LEU X 37 63.091 2.617 -3.450 1.00 0.00 C ATOM 554 CG LEU X 37 61.629 2.341 -3.067 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.308 0.864 -3.190 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.327 2.833 -1.655 1.00 0.00 C ATOM 0 H LEU X 37 62.017 4.343 -4.708 1.00 0.00 H new ATOM 0 HA LEU X 37 63.520 4.394 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.248 2.247 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.728 2.026 -2.792 1.00 0.00 H new ATOM 0 HG LEU X 37 60.996 2.892 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.267 0.694 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.468 0.541 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.958 0.294 -2.526 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.285 2.624 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.975 2.320 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.504 3.907 -1.598 1.00 0.00 H new ATOM 568 N LEU X 38 65.108 4.025 -5.187 1.00 0.00 N ATOM 569 CA LEU X 38 66.389 4.052 -5.816 1.00 0.00 C ATOM 570 C LEU X 38 67.132 5.328 -5.482 1.00 0.00 C ATOM 571 O LEU X 38 68.266 5.280 -4.995 1.00 0.00 O ATOM 572 CB LEU X 38 66.230 3.955 -7.324 1.00 0.00 C ATOM 573 CG LEU X 38 65.689 2.663 -7.917 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.946 2.644 -9.380 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.251 1.431 -7.263 1.00 0.00 C ATOM 0 H LEU X 38 64.326 3.960 -5.838 1.00 0.00 H new ATOM 0 HA LEU X 38 66.961 3.201 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.573 4.765 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.206 4.142 -7.773 1.00 0.00 H new ATOM 0 HG LEU X 38 64.616 2.642 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.559 1.718 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.449 3.494 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.019 2.706 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.825 0.544 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.335 1.419 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU X 38 66.001 1.436 -6.202 1.00 0.00 H new ATOM 587 N GLU X 39 66.472 6.459 -5.668 1.00 0.00 N ATOM 588 CA GLU X 39 67.092 7.731 -5.385 1.00 0.00 C ATOM 589 C GLU X 39 67.272 7.949 -3.889 1.00 0.00 C ATOM 590 O GLU X 39 68.283 8.486 -3.455 1.00 0.00 O ATOM 591 CB GLU X 39 66.348 8.905 -6.024 1.00 0.00 C ATOM 592 CG GLU X 39 64.865 8.989 -5.694 1.00 0.00 C ATOM 593 CD GLU X 39 64.358 10.395 -5.644 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.030 10.966 -6.695 1.00 0.00 O ATOM 595 OE2 GLU X 39 64.281 10.967 -4.543 1.00 0.00 O ATOM 0 H GLU X 39 65.513 6.517 -6.012 1.00 0.00 H new ATOM 0 HA GLU X 39 68.081 7.695 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.827 9.832 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.460 8.840 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.300 8.431 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.684 8.509 -4.732 1.00 0.00 H new ATOM 602 N HIS X 40 66.300 7.504 -3.115 1.00 0.00 N ATOM 603 CA HIS X 40 66.309 7.637 -1.668 1.00 0.00 C ATOM 604 C HIS X 40 67.514 6.935 -1.103 1.00 0.00 C ATOM 605 O HIS X 40 68.248 7.491 -0.298 1.00 0.00 O ATOM 606 CB HIS X 40 65.016 7.018 -1.093 1.00 0.00 C ATOM 607 CG HIS X 40 64.861 7.119 0.388 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.927 7.905 1.010 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.540 6.497 1.376 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.072 7.741 2.315 1.00 0.00 C ATOM 611 NE2 HIS X 40 65.041 6.895 2.590 1.00 0.00 N ATOM 0 H HIS X 40 65.471 7.034 -3.477 1.00 0.00 H new ATOM 0 HA HIS X 40 66.356 8.691 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.161 7.502 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.981 5.965 -1.374 1.00 0.00 H new ATOM 0 HD1 HIS X 40 63.244 8.507 0.551 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.349 5.796 1.233 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.470 8.239 3.061 1.00 0.00 H new ATOM 619 N PHE X 41 67.729 5.753 -1.577 1.00 0.00 N ATOM 620 CA PHE X 41 68.818 4.937 -1.165 1.00 0.00 C ATOM 621 C PHE X 41 70.160 5.597 -1.490 1.00 0.00 C ATOM 622 O PHE X 41 71.006 5.775 -0.613 1.00 0.00 O ATOM 623 CB PHE X 41 68.667 3.578 -1.835 1.00 0.00 C ATOM 624 CG PHE X 41 69.872 2.712 -1.793 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.244 2.076 -0.633 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.643 2.547 -2.919 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.370 1.279 -0.598 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.763 1.756 -2.879 1.00 0.00 C ATOM 629 CZ PHE X 41 72.126 1.122 -1.728 1.00 0.00 C ATOM 0 H PHE X 41 67.134 5.317 -2.282 1.00 0.00 H new ATOM 0 HA PHE X 41 68.804 4.808 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.842 3.047 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.388 3.734 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.649 2.201 0.260 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.366 3.042 -3.838 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.654 0.781 0.317 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.363 1.634 -3.768 1.00 0.00 H new ATOM 0 HZ PHE X 41 73.007 0.498 -1.708 1.00 0.00 H new ATOM 639 N VAL X 42 70.341 5.972 -2.724 1.00 0.00 N ATOM 640 CA VAL X 42 71.582 6.581 -3.154 1.00 0.00 C ATOM 641 C VAL X 42 71.826 7.960 -2.542 1.00 0.00 C ATOM 642 O VAL X 42 72.950 8.337 -2.315 1.00 0.00 O ATOM 643 CB VAL X 42 71.778 6.533 -4.692 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.712 7.225 -5.448 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.149 6.970 -5.140 1.00 0.00 C ATOM 0 H VAL X 42 69.643 5.869 -3.461 1.00 0.00 H new ATOM 0 HA VAL X 42 72.375 5.955 -2.746 1.00 0.00 H new ATOM 0 HB VAL X 42 71.694 5.474 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.916 7.150 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.750 6.761 -5.229 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.683 8.275 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.213 6.910 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.325 7.998 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.902 6.318 -4.696 1.00 0.00 H new ATOM 655 N LYS X 43 70.785 8.694 -2.280 1.00 0.00 N ATOM 656 CA LYS X 43 70.938 10.042 -1.687 1.00 0.00 C ATOM 657 C LYS X 43 71.424 9.977 -0.230 1.00 0.00 C ATOM 658 O LYS X 43 72.229 10.794 0.191 1.00 0.00 O ATOM 659 CB LYS X 43 69.630 10.873 -1.769 1.00 0.00 C ATOM 660 CG LYS X 43 68.578 10.551 -0.681 1.00 0.00 C ATOM 661 CD LYS X 43 67.288 11.313 -0.896 1.00 0.00 C ATOM 662 CE LYS X 43 66.307 11.087 0.250 1.00 0.00 C ATOM 663 NZ LYS X 43 65.045 11.836 0.061 1.00 0.00 N ATOM 0 H LYS X 43 69.821 8.410 -2.455 1.00 0.00 H new ATOM 0 HA LYS X 43 71.699 10.546 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.885 11.931 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.178 10.714 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.371 9.481 -0.682 1.00 0.00 H new ATOM 0 HG3 LYS X 43 68.985 10.796 0.300 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.504 12.378 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS X 43 66.831 10.999 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS X 43 66.087 10.023 0.333 1.00 0.00 H new ATOM 0 HE3 LYS X 43 66.771 11.391 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.409 11.653 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.250 12.854 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 64.588 11.528 -0.821 1.00 0.00 H new ATOM 677 N ILE X 44 70.933 9.020 0.527 1.00 0.00 N ATOM 678 CA ILE X 44 71.304 8.911 1.922 1.00 0.00 C ATOM 679 C ILE X 44 72.663 8.250 2.067 1.00 0.00 C ATOM 680 O ILE X 44 73.429 8.583 2.960 1.00 0.00 O ATOM 681 CB ILE X 44 70.213 8.174 2.750 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.922 6.791 2.164 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.937 9.015 2.785 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.834 6.034 2.868 1.00 0.00 C ATOM 0 H ILE X 44 70.278 8.308 0.202 1.00 0.00 H new ATOM 0 HA ILE X 44 71.380 9.920 2.328 1.00 0.00 H new ATOM 0 HB ILE X 44 70.581 8.037 3.767 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.648 6.905 1.115 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.836 6.198 2.192 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.175 8.496 3.366 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.150 9.980 3.246 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.575 9.170 1.768 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.694 5.066 2.387 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.112 5.884 3.911 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.905 6.601 2.818 1.00 0.00 H new ATOM 696 N THR X 45 72.976 7.353 1.153 1.00 0.00 N ATOM 697 CA THR X 45 74.240 6.662 1.182 1.00 0.00 C ATOM 698 C THR X 45 75.328 7.486 0.517 1.00 0.00 C ATOM 699 O THR X 45 76.501 7.443 0.939 1.00 0.00 O ATOM 700 CB THR X 45 74.142 5.301 0.480 1.00 0.00 C ATOM 701 OG1 THR X 45 73.668 5.481 -0.865 1.00 0.00 O ATOM 702 CG2 THR X 45 73.192 4.388 1.217 1.00 0.00 C ATOM 0 H THR X 45 72.366 7.088 0.380 1.00 0.00 H new ATOM 0 HA THR X 45 74.497 6.507 2.230 1.00 0.00 H new ATOM 0 HB THR X 45 75.134 4.850 0.469 1.00 0.00 H new ATOM 0 HG1 THR X 45 72.707 5.294 -0.901 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.137 3.428 0.703 1.00 0.00 H new ATOM 0 HG22 THR X 45 73.551 4.234 2.235 1.00 0.00 H new ATOM 0 HG23 THR X 45 72.201 4.841 1.246 1.00 0.00 H new ATOM 710 N GLU X 46 74.930 8.222 -0.539 1.00 0.00 N ATOM 711 CA GLU X 46 75.818 9.037 -1.366 1.00 0.00 C ATOM 712 C GLU X 46 76.825 8.146 -2.080 1.00 0.00 C ATOM 713 O GLU X 46 77.873 8.588 -2.552 1.00 0.00 O ATOM 714 CB GLU X 46 76.458 10.123 -0.516 1.00 0.00 C ATOM 715 CG GLU X 46 75.484 11.205 -0.102 1.00 0.00 C ATOM 716 CD GLU X 46 75.222 12.211 -1.190 1.00 0.00 C ATOM 717 OE1 GLU X 46 74.790 11.843 -2.294 1.00 0.00 O ATOM 718 OE2 GLU X 46 75.501 13.406 -0.977 1.00 0.00 O ATOM 0 H GLU X 46 73.957 8.262 -0.841 1.00 0.00 H new ATOM 0 HA GLU X 46 75.253 9.547 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.890 9.670 0.377 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.279 10.575 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.541 10.744 0.193 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.874 11.721 0.775 1.00 0.00 H new ATOM 725 N HIS X 47 76.436 6.890 -2.217 1.00 0.00 N ATOM 726 CA HIS X 47 77.248 5.881 -2.830 1.00 0.00 C ATOM 727 C HIS X 47 77.146 6.040 -4.349 1.00 0.00 C ATOM 728 O HIS X 47 76.055 6.129 -4.867 1.00 0.00 O ATOM 729 CB HIS X 47 76.745 4.493 -2.397 1.00 0.00 C ATOM 730 CG HIS X 47 77.668 3.384 -2.767 1.00 0.00 C ATOM 731 ND1 HIS X 47 78.853 3.056 -2.237 1.00 0.00 N flip ATOM 732 CD2 HIS X 47 77.453 2.492 -3.786 1.00 0.00 C flip ATOM 733 CE1 HIS X 47 79.383 1.983 -2.918 1.00 0.00 C flip ATOM 734 NE2 HIS X 47 78.512 1.682 -3.835 1.00 0.00 N flip ATOM 0 H HIS X 47 75.530 6.548 -1.896 1.00 0.00 H new ATOM 0 HA HIS X 47 78.289 5.983 -2.523 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.600 4.489 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.771 4.311 -2.850 1.00 0.00 H new ATOM 0 HD1 HIS X 47 79.296 3.529 -1.449 1.00 0.00 H new ATOM 0 HD2 HIS X 47 76.587 2.452 -4.430 1.00 0.00 H new ATOM 0 HE1 HIS X 47 80.327 1.493 -2.729 1.00 0.00 H new ATOM 742 N PRO X 48 78.262 6.016 -5.092 1.00 0.00 N ATOM 743 CA PRO X 48 78.258 6.307 -6.539 1.00 0.00 C ATOM 744 C PRO X 48 77.628 5.207 -7.338 1.00 0.00 C ATOM 745 O PRO X 48 77.143 5.408 -8.445 1.00 0.00 O ATOM 746 CB PRO X 48 79.742 6.351 -6.888 1.00 0.00 C ATOM 747 CG PRO X 48 80.449 6.453 -5.603 1.00 0.00 C ATOM 748 CD PRO X 48 79.613 5.679 -4.645 1.00 0.00 C ATOM 0 HA PRO X 48 77.699 7.216 -6.759 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.043 5.455 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO X 48 79.969 7.203 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.456 6.041 -5.672 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.551 7.492 -5.289 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.808 4.608 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.789 5.979 -3.612 1.00 0.00 H new ATOM 756 N ASP X 49 77.558 4.065 -6.740 1.00 0.00 N ATOM 757 CA ASP X 49 77.149 2.910 -7.417 1.00 0.00 C ATOM 758 C ASP X 49 75.907 2.459 -6.710 1.00 0.00 C ATOM 759 O ASP X 49 75.629 1.271 -6.610 1.00 0.00 O ATOM 760 CB ASP X 49 78.205 1.788 -7.337 1.00 0.00 C ATOM 761 CG ASP X 49 79.608 2.201 -7.708 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.875 2.536 -8.868 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.493 2.145 -6.834 1.00 0.00 O ATOM 0 H ASP X 49 77.788 3.920 -5.757 1.00 0.00 H new ATOM 0 HA ASP X 49 76.994 3.123 -8.475 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.216 1.393 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.897 0.974 -7.993 1.00 0.00 H new ATOM 768 N GLY X 50 75.193 3.453 -6.170 1.00 0.00 N ATOM 769 CA GLY X 50 73.974 3.258 -5.411 1.00 0.00 C ATOM 770 C GLY X 50 73.048 2.328 -6.052 1.00 0.00 C ATOM 771 O GLY X 50 72.749 1.260 -5.524 1.00 0.00 O ATOM 0 H GLY X 50 75.461 4.433 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.226 2.886 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.479 4.220 -5.275 1.00 0.00 H new ATOM 775 N THR X 51 72.694 2.630 -7.209 1.00 0.00 N ATOM 776 CA THR X 51 71.673 1.858 -7.810 1.00 0.00 C ATOM 777 C THR X 51 72.241 0.574 -8.411 1.00 0.00 C ATOM 778 O THR X 51 71.538 -0.428 -8.537 1.00 0.00 O ATOM 779 CB THR X 51 70.867 2.659 -8.800 1.00 0.00 C ATOM 780 OG1 THR X 51 70.932 4.049 -8.395 1.00 0.00 O ATOM 781 CG2 THR X 51 69.423 2.201 -8.694 1.00 0.00 C ATOM 0 H THR X 51 73.075 3.391 -7.772 1.00 0.00 H new ATOM 0 HA THR X 51 70.974 1.562 -7.028 1.00 0.00 H new ATOM 0 HB THR X 51 71.242 2.532 -9.816 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.417 4.597 -9.023 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.810 2.763 -9.399 1.00 0.00 H new ATOM 0 HG22 THR X 51 69.361 1.138 -8.925 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.060 2.374 -7.681 1.00 0.00 H new ATOM 789 N ALA X 52 73.537 0.593 -8.706 1.00 0.00 N ATOM 790 CA ALA X 52 74.241 -0.587 -9.172 1.00 0.00 C ATOM 791 C ALA X 52 74.216 -1.650 -8.104 1.00 0.00 C ATOM 792 O ALA X 52 74.052 -2.827 -8.417 1.00 0.00 O ATOM 793 CB ALA X 52 75.661 -0.247 -9.583 1.00 0.00 C ATOM 0 H ALA X 52 74.123 1.425 -8.628 1.00 0.00 H new ATOM 0 HA ALA X 52 73.735 -0.974 -10.056 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.166 -1.149 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.641 0.488 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.198 0.165 -8.729 1.00 0.00 H new ATOM 799 N LEU X 53 74.316 -1.226 -6.835 1.00 0.00 N ATOM 800 CA LEU X 53 74.210 -2.145 -5.715 1.00 0.00 C ATOM 801 C LEU X 53 72.849 -2.777 -5.676 1.00 0.00 C ATOM 802 O LEU X 53 72.729 -3.958 -5.456 1.00 0.00 O ATOM 803 CB LEU X 53 74.500 -1.478 -4.373 1.00 0.00 C ATOM 804 CG LEU X 53 75.931 -1.018 -4.127 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.061 -0.515 -2.713 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.918 -2.147 -4.372 1.00 0.00 C ATOM 0 H LEU X 53 74.470 -0.253 -6.569 1.00 0.00 H new ATOM 0 HA LEU X 53 74.970 -2.910 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.844 -0.613 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.227 -2.176 -3.581 1.00 0.00 H new ATOM 0 HG LEU X 53 76.162 -0.213 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.085 -0.186 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.379 0.322 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.813 -1.317 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.932 -1.790 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.698 -2.975 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.834 -2.486 -5.404 1.00 0.00 H new ATOM 818 N ILE X 54 71.835 -1.986 -5.948 1.00 0.00 N ATOM 819 CA ILE X 54 70.457 -2.471 -5.936 1.00 0.00 C ATOM 820 C ILE X 54 70.256 -3.476 -7.049 1.00 0.00 C ATOM 821 O ILE X 54 69.719 -4.565 -6.841 1.00 0.00 O ATOM 822 CB ILE X 54 69.459 -1.297 -6.087 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.374 -0.503 -4.783 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.072 -1.786 -6.518 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.743 0.851 -4.948 1.00 0.00 C ATOM 0 H ILE X 54 71.931 -0.998 -6.182 1.00 0.00 H new ATOM 0 HA ILE X 54 70.268 -2.956 -4.978 1.00 0.00 H new ATOM 0 HB ILE X 54 69.831 -0.641 -6.874 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.801 -1.076 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.377 -0.381 -4.375 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.399 -0.934 -6.613 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.148 -2.297 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.681 -2.475 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.715 1.359 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.328 1.442 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.728 0.735 -5.327 1.00 0.00 H new ATOM 837 N TYR X 55 70.724 -3.109 -8.206 1.00 0.00 N ATOM 838 CA TYR X 55 70.625 -3.924 -9.372 1.00 0.00 C ATOM 839 C TYR X 55 71.365 -5.245 -9.229 1.00 0.00 C ATOM 840 O TYR X 55 70.820 -6.300 -9.568 1.00 0.00 O ATOM 841 CB TYR X 55 71.063 -3.146 -10.591 1.00 0.00 C ATOM 842 CG TYR X 55 69.947 -2.345 -11.223 1.00 0.00 C ATOM 843 CD1 TYR X 55 69.081 -2.941 -12.124 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.749 -1.008 -10.916 1.00 0.00 C ATOM 845 CE1 TYR X 55 68.051 -2.234 -12.704 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.724 -0.288 -11.489 1.00 0.00 C ATOM 847 CZ TYR X 55 67.874 -0.910 -12.388 1.00 0.00 C ATOM 848 OH TYR X 55 66.832 -0.207 -12.958 1.00 0.00 O ATOM 0 H TYR X 55 71.193 -2.217 -8.364 1.00 0.00 H new ATOM 0 HA TYR X 55 69.577 -4.194 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.872 -2.471 -10.311 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.467 -3.839 -11.329 1.00 0.00 H new ATOM 0 HD1 TYR X 55 69.216 -3.982 -12.377 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.411 -0.522 -10.214 1.00 0.00 H new ATOM 0 HE1 TYR X 55 67.386 -2.719 -13.404 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.584 0.753 -11.239 1.00 0.00 H new ATOM 0 HH TYR X 55 66.843 0.717 -12.631 1.00 0.00 H new ATOM 858 N GLU X 56 72.577 -5.212 -8.698 1.00 0.00 N ATOM 859 CA GLU X 56 73.287 -6.448 -8.495 1.00 0.00 C ATOM 860 C GLU X 56 72.662 -7.256 -7.359 1.00 0.00 C ATOM 861 O GLU X 56 72.531 -8.465 -7.473 1.00 0.00 O ATOM 862 CB GLU X 56 74.813 -6.277 -8.314 1.00 0.00 C ATOM 863 CG GLU X 56 75.255 -5.355 -7.192 1.00 0.00 C ATOM 864 CD GLU X 56 76.702 -5.576 -6.810 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.016 -6.644 -6.247 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.573 -4.693 -7.101 1.00 0.00 O ATOM 0 H GLU X 56 73.071 -4.367 -8.410 1.00 0.00 H new ATOM 0 HA GLU X 56 73.178 -7.014 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.250 -7.261 -8.142 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.229 -5.903 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU X 56 75.116 -4.318 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.622 -5.517 -6.320 1.00 0.00 H new ATOM 873 N ALA X 57 72.220 -6.580 -6.298 1.00 0.00 N ATOM 874 CA ALA X 57 71.599 -7.250 -5.151 1.00 0.00 C ATOM 875 C ALA X 57 70.348 -7.985 -5.550 1.00 0.00 C ATOM 876 O ALA X 57 70.134 -9.096 -5.109 1.00 0.00 O ATOM 877 CB ALA X 57 71.277 -6.277 -4.040 1.00 0.00 C ATOM 0 H ALA X 57 72.280 -5.566 -6.208 1.00 0.00 H new ATOM 0 HA ALA X 57 72.330 -7.970 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.818 -6.813 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.194 -5.796 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.586 -5.519 -4.409 1.00 0.00 H new ATOM 883 N ALA X 58 69.541 -7.373 -6.408 1.00 0.00 N ATOM 884 CA ALA X 58 68.306 -7.983 -6.878 1.00 0.00 C ATOM 885 C ALA X 58 68.587 -9.338 -7.519 1.00 0.00 C ATOM 886 O ALA X 58 67.920 -10.336 -7.211 1.00 0.00 O ATOM 887 CB ALA X 58 67.586 -7.060 -7.852 1.00 0.00 C ATOM 0 H ALA X 58 69.723 -6.447 -6.794 1.00 0.00 H new ATOM 0 HA ALA X 58 67.654 -8.142 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA X 58 66.666 -7.535 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA X 58 67.347 -6.120 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA X 58 68.229 -6.863 -8.709 1.00 0.00 H new ATOM 893 N ALA X 59 69.596 -9.382 -8.369 1.00 0.00 N ATOM 894 CA ALA X 59 69.986 -10.617 -9.016 1.00 0.00 C ATOM 895 C ALA X 59 70.694 -11.569 -8.034 1.00 0.00 C ATOM 896 O ALA X 59 70.383 -12.768 -7.974 1.00 0.00 O ATOM 897 CB ALA X 59 70.876 -10.326 -10.216 1.00 0.00 C ATOM 0 H ALA X 59 70.161 -8.573 -8.627 1.00 0.00 H new ATOM 0 HA ALA X 59 69.080 -11.115 -9.362 1.00 0.00 H new ATOM 0 HB1 ALA X 59 71.162 -11.264 -10.693 1.00 0.00 H new ATOM 0 HB2 ALA X 59 70.333 -9.706 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA X 59 71.771 -9.799 -9.886 1.00 0.00 H new ATOM 903 N ARG X 60 71.606 -11.028 -7.240 1.00 0.00 N ATOM 904 CA ARG X 60 72.405 -11.821 -6.300 1.00 0.00 C ATOM 905 C ARG X 60 71.583 -12.401 -5.166 1.00 0.00 C ATOM 906 O ARG X 60 71.911 -13.426 -4.649 1.00 0.00 O ATOM 907 CB ARG X 60 73.577 -11.022 -5.737 1.00 0.00 C ATOM 908 CG ARG X 60 74.610 -10.617 -6.769 1.00 0.00 C ATOM 909 CD ARG X 60 75.691 -9.757 -6.148 1.00 0.00 C ATOM 910 NE ARG X 60 76.394 -10.456 -5.068 1.00 0.00 N ATOM 911 CZ ARG X 60 77.303 -9.901 -4.262 1.00 0.00 C ATOM 912 NH1 ARG X 60 77.630 -8.610 -4.392 1.00 0.00 N ATOM 913 NH2 ARG X 60 77.876 -10.641 -3.314 1.00 0.00 N ATOM 0 H ARG X 60 71.817 -10.030 -7.224 1.00 0.00 H new ATOM 0 HA ARG X 60 72.796 -12.655 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG X 60 73.191 -10.124 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG X 60 74.066 -11.614 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG X 60 75.058 -11.508 -7.209 1.00 0.00 H new ATOM 0 HG3 ARG X 60 74.126 -10.070 -7.578 1.00 0.00 H new ATOM 0 HD2 ARG X 60 76.407 -9.463 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG X 60 75.247 -8.841 -5.759 1.00 0.00 H new ATOM 0 HE ARG X 60 76.172 -11.441 -4.921 1.00 0.00 H new ATOM 0 HH11 ARG X 60 77.184 -8.041 -5.111 1.00 0.00 H new ATOM 0 HH12 ARG X 60 78.325 -8.195 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG X 60 77.619 -11.623 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG X 60 78.571 -10.226 -2.694 1.00 0.00 H new ATOM 927 N ALA X 61 70.549 -11.724 -4.759 1.00 0.00 N ATOM 928 CA ALA X 61 69.696 -12.228 -3.699 1.00 0.00 C ATOM 929 C ALA X 61 68.723 -13.269 -4.220 1.00 0.00 C ATOM 930 O ALA X 61 68.233 -14.119 -3.460 1.00 0.00 O ATOM 931 CB ALA X 61 68.982 -11.098 -2.999 1.00 0.00 C ATOM 0 H ALA X 61 70.268 -10.820 -5.139 1.00 0.00 H new ATOM 0 HA ALA X 61 70.331 -12.722 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA X 61 68.349 -11.502 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA X 61 69.715 -10.418 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA X 61 68.366 -10.557 -3.717 1.00 0.00 H new ATOM 937 N ALA X 62 68.454 -13.207 -5.518 1.00 0.00 N ATOM 938 CA ALA X 62 67.564 -14.153 -6.172 1.00 0.00 C ATOM 939 C ALA X 62 68.237 -15.510 -6.272 1.00 0.00 C ATOM 940 O ALA X 62 67.589 -16.551 -6.169 1.00 0.00 O ATOM 941 CB ALA X 62 67.184 -13.646 -7.541 1.00 0.00 C ATOM 0 H ALA X 62 68.845 -12.502 -6.143 1.00 0.00 H new ATOM 0 HA ALA X 62 66.655 -14.258 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA X 62 66.517 -14.362 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA X 62 66.677 -12.686 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA X 62 68.082 -13.524 -8.146 1.00 0.00 H new ATOM 947 N ALA X 63 69.531 -15.478 -6.472 1.00 0.00 N ATOM 948 CA ALA X 63 70.355 -16.653 -6.479 1.00 0.00 C ATOM 949 C ALA X 63 71.633 -16.310 -5.759 1.00 0.00 C ATOM 950 O ALA X 63 72.600 -15.845 -6.365 1.00 0.00 O ATOM 951 CB ALA X 63 70.633 -17.137 -7.898 1.00 0.00 C ATOM 0 H ALA X 63 70.048 -14.615 -6.638 1.00 0.00 H new ATOM 0 HA ALA X 63 69.842 -17.472 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA X 63 71.260 -18.028 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA X 63 69.691 -17.375 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA X 63 71.147 -16.354 -8.455 1.00 0.00 H new ATOM 957 N ASN X 64 71.594 -16.443 -4.457 1.00 0.00 N ATOM 958 CA ASN X 64 72.701 -16.071 -3.593 1.00 0.00 C ATOM 959 C ASN X 64 73.676 -17.216 -3.429 1.00 0.00 C ATOM 960 O ASN X 64 73.358 -18.230 -2.802 1.00 0.00 O ATOM 961 CB ASN X 64 72.184 -15.590 -2.227 1.00 0.00 C ATOM 962 CG ASN X 64 73.290 -15.213 -1.249 1.00 0.00 C ATOM 963 OD1 ASN X 64 74.385 -14.773 -1.642 1.00 0.00 O ATOM 964 ND2 ASN X 64 73.017 -15.369 0.023 1.00 0.00 N ATOM 0 H ASN X 64 70.788 -16.816 -3.956 1.00 0.00 H new ATOM 0 HA ASN X 64 73.235 -15.247 -4.066 1.00 0.00 H new ATOM 0 HB2 ASN X 64 71.535 -14.727 -2.378 1.00 0.00 H new ATOM 0 HB3 ASN X 64 71.572 -16.375 -1.784 1.00 0.00 H new ATOM 0 HD21 ASN X 64 73.714 -15.127 0.728 1.00 0.00 H new ATOM 0 HD22 ASN X 64 72.108 -15.733 0.309 1.00 0.00 H new ATOM 971 N PRO X 65 74.888 -17.059 -3.978 1.00 0.00 N ATOM 972 CA PRO X 65 75.918 -18.094 -3.954 1.00 0.00 C ATOM 973 C PRO X 65 76.679 -18.169 -2.625 1.00 0.00 C ATOM 974 O PRO X 65 77.551 -19.024 -2.453 1.00 0.00 O ATOM 975 CB PRO X 65 76.858 -17.652 -5.073 1.00 0.00 C ATOM 976 CG PRO X 65 76.757 -16.167 -5.073 1.00 0.00 C ATOM 977 CD PRO X 65 75.345 -15.848 -4.696 1.00 0.00 C ATOM 0 HA PRO X 65 75.492 -19.090 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO X 65 77.880 -17.981 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO X 65 76.558 -18.071 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO X 65 77.459 -15.729 -4.363 1.00 0.00 H new ATOM 0 HG3 PRO X 65 77.000 -15.760 -6.054 1.00 0.00 H new ATOM 0 HD2 PRO X 65 75.291 -14.963 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO X 65 74.732 -15.649 -5.575 1.00 0.00 H new ATOM 985 N GLY X 66 76.359 -17.292 -1.707 1.00 0.00 N ATOM 986 CA GLY X 66 77.028 -17.285 -0.436 1.00 0.00 C ATOM 987 C GLY X 66 76.428 -16.269 0.482 1.00 0.00 C ATOM 988 O GLY X 66 75.571 -16.593 1.302 1.00 0.00 O ATOM 0 H GLY X 66 75.641 -16.576 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY X 66 76.963 -18.274 0.018 1.00 0.00 H new ATOM 0 HA3 GLY X 66 78.087 -17.069 -0.580 1.00 0.00 H new ATOM 992 N GLY X 67 76.830 -15.036 0.327 1.00 0.00 N ATOM 993 CA GLY X 67 76.303 -14.000 1.159 1.00 0.00 C ATOM 994 C GLY X 67 77.132 -12.754 1.100 1.00 0.00 C ATOM 995 O GLY X 67 77.989 -12.623 0.216 1.00 0.00 O ATOM 0 H GLY X 67 77.516 -14.731 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY X 67 75.283 -13.771 0.850 1.00 0.00 H new ATOM 0 HA3 GLY X 67 76.253 -14.353 2.189 1.00 0.00 H new ATOM 999 N ASP X 68 76.855 -11.835 2.026 1.00 0.00 N ATOM 1000 CA ASP X 68 77.560 -10.545 2.169 1.00 0.00 C ATOM 1001 C ASP X 68 77.341 -9.648 0.963 1.00 0.00 C ATOM 1002 O ASP X 68 78.116 -8.723 0.714 1.00 0.00 O ATOM 1003 CB ASP X 68 79.070 -10.733 2.451 1.00 0.00 C ATOM 1004 CG ASP X 68 79.362 -11.366 3.801 1.00 0.00 C ATOM 1005 OD1 ASP X 68 79.412 -12.609 3.894 1.00 0.00 O ATOM 1006 OD2 ASP X 68 79.552 -10.636 4.804 1.00 0.00 O ATOM 0 H ASP X 68 76.117 -11.963 2.718 1.00 0.00 H new ATOM 0 HA ASP X 68 77.126 -10.050 3.037 1.00 0.00 H new ATOM 0 HB2 ASP X 68 79.503 -11.354 1.667 1.00 0.00 H new ATOM 0 HB3 ASP X 68 79.564 -9.763 2.399 1.00 0.00 H new ATOM 1011 N GLY X 69 76.233 -9.866 0.281 1.00 0.00 N ATOM 1012 CA GLY X 69 75.920 -9.122 -0.923 1.00 0.00 C ATOM 1013 C GLY X 69 74.687 -9.669 -1.604 1.00 0.00 C ATOM 1014 O GLY X 69 73.930 -8.933 -2.232 1.00 0.00 O ATOM 0 H GLY X 69 75.530 -10.557 0.543 1.00 0.00 H new ATOM 0 HA2 GLY X 69 75.764 -8.072 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY X 69 76.766 -9.165 -1.609 1.00 0.00 H new ATOM 1018 N GLY X 70 74.467 -10.959 -1.450 1.00 0.00 N ATOM 1019 CA GLY X 70 73.325 -11.610 -2.039 1.00 0.00 C ATOM 1020 C GLY X 70 72.123 -11.503 -1.151 1.00 0.00 C ATOM 1021 O GLY X 70 71.574 -12.507 -0.680 1.00 0.00 O ATOM 0 H GLY X 70 75.075 -11.579 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY X 70 73.106 -11.160 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY X 70 73.555 -12.660 -2.220 1.00 0.00 H new ATOM 1025 N GLY X 71 71.724 -10.304 -0.912 1.00 0.00 N ATOM 1026 CA GLY X 71 70.622 -10.050 -0.093 1.00 0.00 C ATOM 1027 C GLY X 71 70.680 -8.664 0.421 1.00 0.00 C ATOM 1028 O GLY X 71 71.728 -7.999 0.299 1.00 0.00 O ATOM 0 H GLY X 71 72.169 -9.469 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY X 71 69.700 -10.200 -0.654 1.00 0.00 H new ATOM 0 HA3 GLY X 71 70.607 -10.754 0.739 1.00 0.00 H new ATOM 1032 N PRO X 72 69.613 -8.206 1.046 1.00 0.00 N ATOM 1033 CA PRO X 72 69.499 -6.845 1.513 1.00 0.00 C ATOM 1034 C PRO X 72 70.475 -6.522 2.618 1.00 0.00 C ATOM 1035 O PRO X 72 70.891 -5.394 2.779 1.00 0.00 O ATOM 1036 CB PRO X 72 68.082 -6.716 1.992 1.00 0.00 C ATOM 1037 CG PRO X 72 67.619 -8.109 2.229 1.00 0.00 C ATOM 1038 CD PRO X 72 68.419 -8.991 1.331 1.00 0.00 C ATOM 0 HA PRO X 72 69.738 -6.141 0.716 1.00 0.00 H new ATOM 0 HB2 PRO X 72 68.028 -6.123 2.905 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.460 -6.216 1.250 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.760 -8.390 3.272 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.554 -8.204 2.015 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.667 -9.935 1.815 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.873 -9.234 0.419 1.00 0.00 H new ATOM 1046 N GLU X 73 70.892 -7.537 3.318 1.00 0.00 N ATOM 1047 CA GLU X 73 71.825 -7.401 4.406 1.00 0.00 C ATOM 1048 C GLU X 73 73.251 -7.426 3.874 1.00 0.00 C ATOM 1049 O GLU X 73 74.206 -7.372 4.638 1.00 0.00 O ATOM 1050 CB GLU X 73 71.592 -8.484 5.448 1.00 0.00 C ATOM 1051 CG GLU X 73 70.159 -8.521 5.948 1.00 0.00 C ATOM 1052 CD GLU X 73 69.910 -9.604 6.949 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.575 -10.732 6.541 1.00 0.00 O ATOM 1054 OE2 GLU X 73 70.009 -9.355 8.165 1.00 0.00 O ATOM 0 H GLU X 73 70.591 -8.497 3.149 1.00 0.00 H new ATOM 0 HA GLU X 73 71.667 -6.440 4.896 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.848 -9.454 5.021 1.00 0.00 H new ATOM 0 HB3 GLU X 73 72.262 -8.320 6.292 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.913 -7.558 6.396 1.00 0.00 H new ATOM 0 HG3 GLU X 73 69.489 -8.659 5.100 1.00 0.00 H new ATOM 1061 N GLY X 74 73.401 -7.520 2.580 1.00 0.00 N ATOM 1062 CA GLY X 74 74.716 -7.471 2.048 1.00 0.00 C ATOM 1063 C GLY X 74 75.063 -6.173 1.373 1.00 0.00 C ATOM 1064 O GLY X 74 76.213 -5.743 1.436 1.00 0.00 O ATOM 0 H GLY X 74 72.648 -7.628 1.901 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.428 -7.650 2.854 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.836 -8.283 1.331 1.00 0.00 H new ATOM 1068 N ILE X 75 74.103 -5.506 0.742 1.00 0.00 N ATOM 1069 CA ILE X 75 74.411 -4.202 0.182 1.00 0.00 C ATOM 1070 C ILE X 75 74.623 -3.206 1.278 1.00 0.00 C ATOM 1071 O ILE X 75 75.369 -2.264 1.123 1.00 0.00 O ATOM 1072 CB ILE X 75 73.380 -3.632 -0.805 1.00 0.00 C ATOM 1073 CG1 ILE X 75 71.936 -3.691 -0.273 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.509 -4.278 -2.159 1.00 0.00 C ATOM 1075 CD1 ILE X 75 71.199 -4.963 -0.506 1.00 0.00 C ATOM 0 H ILE X 75 73.145 -5.831 0.610 1.00 0.00 H new ATOM 0 HA ILE X 75 75.317 -4.372 -0.400 1.00 0.00 H new ATOM 0 HB ILE X 75 73.609 -2.572 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE X 75 71.959 -3.500 0.800 1.00 0.00 H new ATOM 0 HG13 ILE X 75 71.370 -2.879 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE X 75 72.767 -3.855 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.508 -4.096 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE X 75 73.346 -5.352 -2.067 1.00 0.00 H new ATOM 0 HD11 ILE X 75 70.196 -4.884 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE X 75 71.132 -5.153 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE X 75 71.729 -5.784 -0.024 1.00 0.00 H new ATOM 1087 N VAL X 76 73.977 -3.441 2.402 1.00 0.00 N ATOM 1088 CA VAL X 76 74.116 -2.632 3.540 1.00 0.00 C ATOM 1089 C VAL X 76 75.553 -2.688 4.065 1.00 0.00 C ATOM 1090 O VAL X 76 76.118 -1.686 4.481 1.00 0.00 O ATOM 1091 CB VAL X 76 73.105 -3.041 4.598 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.699 -2.807 4.133 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.259 -4.455 5.031 1.00 0.00 C ATOM 0 H VAL X 76 73.333 -4.222 2.527 1.00 0.00 H new ATOM 0 HA VAL X 76 73.911 -1.595 3.272 1.00 0.00 H new ATOM 0 HB VAL X 76 73.309 -2.407 5.461 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.002 -3.111 4.914 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.560 -1.748 3.914 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.512 -3.392 3.232 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.509 -4.688 5.787 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.126 -5.115 4.173 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.255 -4.601 5.450 1.00 0.00 H new ATOM 1103 N LYS X 77 76.123 -3.863 3.991 1.00 0.00 N ATOM 1104 CA LYS X 77 77.516 -4.093 4.303 1.00 0.00 C ATOM 1105 C LYS X 77 78.389 -3.279 3.356 1.00 0.00 C ATOM 1106 O LYS X 77 79.283 -2.560 3.791 1.00 0.00 O ATOM 1107 CB LYS X 77 77.838 -5.586 4.149 1.00 0.00 C ATOM 1108 CG LYS X 77 79.320 -5.930 4.181 1.00 0.00 C ATOM 1109 CD LYS X 77 79.536 -7.386 3.836 1.00 0.00 C ATOM 1110 CE LYS X 77 81.012 -7.727 3.681 1.00 0.00 C ATOM 1111 NZ LYS X 77 81.646 -6.989 2.562 1.00 0.00 N ATOM 0 H LYS X 77 75.624 -4.706 3.707 1.00 0.00 H new ATOM 0 HA LYS X 77 77.714 -3.787 5.330 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.336 -6.135 4.945 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.419 -5.937 3.206 1.00 0.00 H new ATOM 0 HG2 LYS X 77 79.861 -5.299 3.475 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.726 -5.721 5.171 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.100 -8.011 4.616 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.011 -7.620 2.910 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.535 -7.495 4.609 1.00 0.00 H new ATOM 0 HE3 LYS X 77 81.119 -8.799 3.513 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 82.407 -7.567 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.934 -6.787 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 82.042 -6.095 2.916 1.00 0.00 H new ATOM 1125 N GLU X 78 78.086 -3.373 2.069 1.00 0.00 N ATOM 1126 CA GLU X 78 78.849 -2.683 1.041 1.00 0.00 C ATOM 1127 C GLU X 78 78.775 -1.157 1.272 1.00 0.00 C ATOM 1128 O GLU X 78 79.773 -0.429 1.119 1.00 0.00 O ATOM 1129 CB GLU X 78 78.329 -3.082 -0.364 1.00 0.00 C ATOM 1130 CG GLU X 78 79.338 -2.858 -1.462 1.00 0.00 C ATOM 1131 CD GLU X 78 80.588 -3.669 -1.234 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.573 -4.888 -1.457 1.00 0.00 O ATOM 1133 OE2 GLU X 78 81.627 -3.090 -0.848 1.00 0.00 O ATOM 0 H GLU X 78 77.308 -3.927 1.710 1.00 0.00 H new ATOM 0 HA GLU X 78 79.897 -2.978 1.099 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.043 -4.134 -0.352 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.428 -2.510 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.898 -3.127 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.593 -1.800 -1.513 1.00 0.00 H new ATOM 1140 N ILE X 79 77.601 -0.705 1.705 1.00 0.00 N ATOM 1141 CA ILE X 79 77.362 0.692 2.026 1.00 0.00 C ATOM 1142 C ILE X 79 78.137 1.123 3.270 1.00 0.00 C ATOM 1143 O ILE X 79 78.813 2.159 3.250 1.00 0.00 O ATOM 1144 CB ILE X 79 75.833 0.980 2.254 1.00 0.00 C ATOM 1145 CG1 ILE X 79 75.031 0.827 0.953 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.598 2.351 2.869 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.454 1.771 -0.148 1.00 0.00 C ATOM 0 H ILE X 79 76.787 -1.304 1.842 1.00 0.00 H new ATOM 0 HA ILE X 79 77.711 1.268 1.169 1.00 0.00 H new ATOM 0 HB ILE X 79 75.476 0.233 2.963 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.131 -0.198 0.596 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.975 0.988 1.169 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.529 2.508 3.009 1.00 0.00 H new ATOM 0 HG22 ILE X 79 76.103 2.409 3.833 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.994 3.120 2.206 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.839 1.599 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.327 2.801 0.187 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.501 1.596 -0.395 1.00 0.00 H new ATOM 1159 N LYS X 80 78.088 0.312 4.325 1.00 0.00 N ATOM 1160 CA LYS X 80 78.702 0.689 5.592 1.00 0.00 C ATOM 1161 C LYS X 80 80.210 0.796 5.446 1.00 0.00 C ATOM 1162 O LYS X 80 80.822 1.719 5.968 1.00 0.00 O ATOM 1163 CB LYS X 80 78.310 -0.275 6.749 1.00 0.00 C ATOM 1164 CG LYS X 80 79.013 -1.624 6.763 1.00 0.00 C ATOM 1165 CD LYS X 80 78.497 -2.508 7.885 1.00 0.00 C ATOM 1166 CE LYS X 80 79.264 -3.822 7.959 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.699 -3.626 8.299 1.00 0.00 N ATOM 0 H LYS X 80 77.634 -0.601 4.327 1.00 0.00 H new ATOM 0 HA LYS X 80 78.313 1.671 5.862 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.510 0.226 7.696 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.235 -0.449 6.702 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.863 -2.124 5.806 1.00 0.00 H new ATOM 0 HG3 LYS X 80 80.086 -1.475 6.880 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.585 -1.980 8.835 1.00 0.00 H new ATOM 0 HD3 LYS X 80 77.438 -2.712 7.731 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.802 -4.467 8.706 1.00 0.00 H new ATOM 0 HE3 LYS X 80 79.188 -4.338 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 81.120 -4.538 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 81.202 -3.243 7.473 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.780 -2.959 9.093 1.00 0.00 H new ATOM 1181 N GLU X 81 80.781 -0.102 4.667 1.00 0.00 N ATOM 1182 CA GLU X 81 82.208 -0.126 4.465 1.00 0.00 C ATOM 1183 C GLU X 81 82.668 1.063 3.635 1.00 0.00 C ATOM 1184 O GLU X 81 83.693 1.664 3.930 1.00 0.00 O ATOM 1185 CB GLU X 81 82.646 -1.440 3.838 1.00 0.00 C ATOM 1186 CG GLU X 81 82.314 -2.649 4.694 1.00 0.00 C ATOM 1187 CD GLU X 81 82.821 -3.937 4.113 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.178 -4.496 3.207 1.00 0.00 O ATOM 1189 OE2 GLU X 81 83.878 -4.430 4.567 1.00 0.00 O ATOM 0 H GLU X 81 80.271 -0.827 4.163 1.00 0.00 H new ATOM 0 HA GLU X 81 82.685 -0.047 5.442 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.167 -1.549 2.865 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.721 -1.411 3.662 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.741 -2.512 5.687 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.233 -2.714 4.818 1.00 0.00 H new ATOM 1196 N TRP X 82 81.881 1.430 2.632 1.00 0.00 N ATOM 1197 CA TRP X 82 82.220 2.558 1.769 1.00 0.00 C ATOM 1198 C TRP X 82 82.162 3.826 2.571 1.00 0.00 C ATOM 1199 O TRP X 82 83.082 4.645 2.551 1.00 0.00 O ATOM 1200 CB TRP X 82 81.193 2.692 0.669 1.00 0.00 C ATOM 1201 CG TRP X 82 81.571 3.687 -0.393 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.398 3.469 -1.452 1.00 0.00 C ATOM 1203 CD2 TRP X 82 81.127 5.052 -0.507 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.489 4.600 -2.215 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.724 5.581 -1.663 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.283 5.871 0.251 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.508 6.885 -2.085 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 80.072 7.169 -0.165 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.679 7.664 -1.328 1.00 0.00 C ATOM 0 H TRP X 82 81.005 0.965 2.395 1.00 0.00 H new ATOM 0 HA TRP X 82 83.214 2.390 1.354 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.042 1.718 0.204 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.240 2.987 1.108 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.907 2.539 -1.659 1.00 0.00 H new ATOM 0 HE1 TRP X 82 83.044 4.694 -3.066 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.806 5.494 1.144 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.977 7.270 -2.978 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.429 7.815 0.414 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.487 8.682 -1.632 1.00 0.00 H new ATOM 1220 N ARG X 83 81.075 3.951 3.296 1.00 0.00 N ATOM 1221 CA ARG X 83 80.767 5.112 4.073 1.00 0.00 C ATOM 1222 C ARG X 83 81.860 5.312 5.130 1.00 0.00 C ATOM 1223 O ARG X 83 82.403 6.403 5.266 1.00 0.00 O ATOM 1224 CB ARG X 83 79.446 4.860 4.777 1.00 0.00 C ATOM 1225 CG ARG X 83 78.736 6.070 5.305 1.00 0.00 C ATOM 1226 CD ARG X 83 78.008 6.904 4.247 1.00 0.00 C ATOM 1227 NE ARG X 83 77.286 8.019 4.904 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.724 9.092 4.317 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.654 9.196 3.002 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.180 10.043 5.074 1.00 0.00 N ATOM 0 H ARG X 83 80.364 3.222 3.358 1.00 0.00 H new ATOM 0 HA ARG X 83 80.707 5.995 3.437 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.780 4.348 4.083 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.625 4.178 5.608 1.00 0.00 H new ATOM 0 HG2 ARG X 83 78.013 5.750 6.055 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.461 6.706 5.812 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.723 7.296 3.523 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.307 6.278 3.695 1.00 0.00 H new ATOM 0 HE ARG X 83 77.206 7.967 5.920 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.030 8.455 2.411 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.224 10.018 2.578 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.191 9.955 6.090 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.752 10.860 4.638 1.00 0.00 H new ATOM 1244 N ALA X 84 82.222 4.230 5.810 1.00 0.00 N ATOM 1245 CA ALA X 84 83.231 4.266 6.862 1.00 0.00 C ATOM 1246 C ALA X 84 84.620 4.546 6.306 1.00 0.00 C ATOM 1247 O ALA X 84 85.355 5.378 6.846 1.00 0.00 O ATOM 1248 CB ALA X 84 83.227 2.969 7.656 1.00 0.00 C ATOM 0 H ALA X 84 81.825 3.305 5.648 1.00 0.00 H new ATOM 0 HA ALA X 84 82.973 5.087 7.531 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.987 3.017 8.436 1.00 0.00 H new ATOM 0 HB2 ALA X 84 82.248 2.825 8.113 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.443 2.134 6.990 1.00 0.00 H new ATOM 1254 N ALA X 85 84.967 3.875 5.212 1.00 0.00 N ATOM 1255 CA ALA X 85 86.273 4.050 4.586 1.00 0.00 C ATOM 1256 C ALA X 85 86.425 5.455 4.033 1.00 0.00 C ATOM 1257 O ALA X 85 87.522 6.008 4.025 1.00 0.00 O ATOM 1258 CB ALA X 85 86.499 3.019 3.490 1.00 0.00 C ATOM 0 H ALA X 85 84.361 3.204 4.740 1.00 0.00 H new ATOM 0 HA ALA X 85 87.031 3.900 5.355 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.480 3.174 3.041 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.449 2.017 3.917 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.730 3.126 2.725 1.00 0.00 H new ATOM 1264 N ASN X 86 85.323 6.030 3.570 1.00 0.00 N ATOM 1265 CA ASN X 86 85.345 7.396 3.064 1.00 0.00 C ATOM 1266 C ASN X 86 85.485 8.336 4.248 1.00 0.00 C ATOM 1267 O ASN X 86 86.246 9.302 4.210 1.00 0.00 O ATOM 1268 CB ASN X 86 84.049 7.744 2.304 1.00 0.00 C ATOM 1269 CG ASN X 86 84.233 8.893 1.314 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.082 10.120 1.748 1.00 0.00 O flip ATOM 1271 ND2 ASN X 86 84.543 8.657 0.150 1.00 0.00 N flip ATOM 0 H ASN X 86 84.410 5.577 3.534 1.00 0.00 H new ATOM 0 HA ASN X 86 86.180 7.498 2.370 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.699 6.861 1.768 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.273 8.010 3.022 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.654 7.692 -0.163 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.689 9.425 -0.505 1.00 0.00 H new ATOM 1278 N GLY X 87 84.743 8.032 5.299 1.00 0.00 N ATOM 1279 CA GLY X 87 84.773 8.821 6.503 1.00 0.00 C ATOM 1280 C GLY X 87 83.465 9.517 6.750 1.00 0.00 C ATOM 1281 O GLY X 87 83.429 10.641 7.260 1.00 0.00 O ATOM 0 H GLY X 87 84.108 7.234 5.335 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.008 8.179 7.352 1.00 0.00 H new ATOM 0 HA3 GLY X 87 85.570 9.561 6.432 1.00 0.00 H new ATOM 1285 N LYS X 88 82.388 8.867 6.396 1.00 0.00 N ATOM 1286 CA LYS X 88 81.114 9.396 6.523 1.00 0.00 C ATOM 1287 C LYS X 88 80.345 8.554 7.529 1.00 0.00 C ATOM 1288 O LYS X 88 80.505 7.327 7.545 1.00 0.00 O ATOM 1289 CB LYS X 88 80.465 9.291 5.170 1.00 0.00 C ATOM 1290 CG LYS X 88 80.998 10.231 4.103 1.00 0.00 C ATOM 1291 CD LYS X 88 80.390 9.904 2.747 1.00 0.00 C ATOM 1292 CE LYS X 88 80.835 10.879 1.663 1.00 0.00 C ATOM 1293 NZ LYS X 88 80.397 12.270 1.919 1.00 0.00 N ATOM 0 H LYS X 88 82.406 7.926 6.002 1.00 0.00 H new ATOM 0 HA LYS X 88 81.132 10.432 6.862 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.577 8.267 4.813 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.397 9.473 5.286 1.00 0.00 H new ATOM 0 HG2 LYS X 88 80.768 11.262 4.371 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.084 10.150 4.049 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.672 8.891 2.460 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.303 9.922 2.825 1.00 0.00 H new ATOM 0 HE2 LYS X 88 81.922 10.855 1.585 1.00 0.00 H new ATOM 0 HE3 LYS X 88 80.439 10.551 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 80.594 12.855 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 79.376 12.282 2.118 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 80.913 12.651 2.737 1.00 0.00 H new ATOM 1307 N PRO X 89 79.542 9.176 8.396 1.00 0.00 N ATOM 1308 CA PRO X 89 78.701 8.448 9.349 1.00 0.00 C ATOM 1309 C PRO X 89 77.694 7.558 8.619 1.00 0.00 C ATOM 1310 O PRO X 89 77.084 7.975 7.614 1.00 0.00 O ATOM 1311 CB PRO X 89 77.989 9.547 10.144 1.00 0.00 C ATOM 1312 CG PRO X 89 78.146 10.786 9.332 1.00 0.00 C ATOM 1313 CD PRO X 89 79.412 10.632 8.549 1.00 0.00 C ATOM 0 HA PRO X 89 79.279 7.782 9.990 1.00 0.00 H new ATOM 0 HB2 PRO X 89 76.937 9.305 10.293 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.432 9.666 11.133 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.294 10.922 8.666 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.193 11.666 9.974 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.351 11.134 7.583 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.265 11.059 9.076 1.00 0.00 H new ATOM 1321 N GLY X 90 77.542 6.350 9.097 1.00 0.00 N ATOM 1322 CA GLY X 90 76.708 5.389 8.434 1.00 0.00 C ATOM 1323 C GLY X 90 75.370 5.219 9.085 1.00 0.00 C ATOM 1324 O GLY X 90 74.616 6.184 9.217 1.00 0.00 O ATOM 0 H GLY X 90 77.989 6.010 9.948 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.564 5.696 7.398 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.220 4.427 8.413 1.00 0.00 H new ATOM 1328 N PHE X 91 75.098 4.003 9.512 1.00 0.00 N ATOM 1329 CA PHE X 91 73.809 3.642 10.077 1.00 0.00 C ATOM 1330 C PHE X 91 73.808 3.937 11.544 1.00 0.00 C ATOM 1331 O PHE X 91 74.862 4.197 12.139 1.00 0.00 O ATOM 1332 CB PHE X 91 73.529 2.135 9.913 1.00 0.00 C ATOM 1333 CG PHE X 91 73.762 1.584 8.544 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.217 2.189 7.435 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.528 0.442 8.374 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.433 1.672 6.181 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.742 -0.079 7.121 1.00 0.00 C ATOM 1338 CZ PHE X 91 74.195 0.537 6.023 1.00 0.00 C ATOM 0 H PHE X 91 75.766 3.233 9.478 1.00 0.00 H new ATOM 0 HA PHE X 91 73.046 4.218 9.552 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.155 1.588 10.618 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.493 1.943 10.192 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.614 3.078 7.551 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.961 -0.044 9.236 1.00 0.00 H new ATOM 0 HE1 PHE X 91 73.004 2.157 5.317 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.339 -0.971 7.000 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.362 0.131 5.036 1.00 0.00 H new ATOM 1348 N LYS X 92 72.659 3.926 12.130 1.00 0.00 N ATOM 1349 CA LYS X 92 72.562 4.046 13.495 1.00 0.00 C ATOM 1350 C LYS X 92 72.233 2.691 14.066 1.00 0.00 C ATOM 1351 O LYS X 92 71.772 1.786 13.356 1.00 0.00 O ATOM 1352 CB LYS X 92 71.492 5.026 13.893 1.00 0.00 C ATOM 1353 CG LYS X 92 70.058 4.615 13.598 1.00 0.00 C ATOM 1354 CD LYS X 92 69.064 5.418 14.438 1.00 0.00 C ATOM 1355 CE LYS X 92 69.203 5.075 15.926 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.262 5.822 16.777 1.00 0.00 N ATOM 0 H LYS X 92 71.767 3.831 11.645 1.00 0.00 H new ATOM 0 HA LYS X 92 73.511 4.417 13.882 1.00 0.00 H new ATOM 0 HB2 LYS X 92 71.581 5.214 14.963 1.00 0.00 H new ATOM 0 HB3 LYS X 92 71.688 5.971 13.386 1.00 0.00 H new ATOM 0 HG2 LYS X 92 69.846 4.764 12.539 1.00 0.00 H new ATOM 0 HG3 LYS X 92 69.933 3.552 13.802 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.234 6.484 14.289 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.047 5.208 14.106 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.040 4.006 16.064 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.223 5.286 16.249 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.402 5.550 17.771 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.432 6.842 16.670 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.286 5.602 16.492 1.00 0.00 H new ATOM 1370 N GLN X 93 72.455 2.557 15.307 1.00 0.00 N ATOM 1371 CA GLN X 93 72.171 1.366 16.000 1.00 0.00 C ATOM 1372 C GLN X 93 70.965 1.566 16.863 1.00 0.00 C ATOM 1373 O GLN X 93 70.831 2.585 17.554 1.00 0.00 O ATOM 1374 CB GLN X 93 73.350 0.963 16.829 1.00 0.00 C ATOM 1375 CG GLN X 93 74.359 0.034 16.136 1.00 0.00 C ATOM 1376 CD GLN X 93 75.064 0.593 14.896 1.00 0.00 C ATOM 1377 OE1 GLN X 93 75.381 -0.167 13.975 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.367 1.871 14.872 1.00 0.00 N ATOM 0 H GLN X 93 72.852 3.293 15.891 1.00 0.00 H new ATOM 0 HA GLN X 93 71.965 0.569 15.285 1.00 0.00 H new ATOM 0 HB2 GLN X 93 73.873 1.865 17.149 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.987 0.469 17.730 1.00 0.00 H new ATOM 0 HG2 GLN X 93 75.120 -0.246 16.864 1.00 0.00 H new ATOM 0 HG3 GLN X 93 73.840 -0.881 15.850 1.00 0.00 H new ATOM 0 HE21 GLN X 93 75.092 2.475 15.647 1.00 0.00 H new ATOM 0 HE22 GLN X 93 75.877 2.259 14.079 1.00 0.00 H new ATOM 1387 N GLY X 94 70.117 0.629 16.803 1.00 0.00 N ATOM 1388 CA GLY X 94 68.893 0.638 17.526 1.00 0.00 C ATOM 1389 C GLY X 94 67.981 -0.396 16.943 1.00 0.00 C ATOM 1390 O GLY X 94 68.500 -1.409 16.410 1.00 0.00 O ATOM 1391 OXT GLY X 94 66.755 -0.224 16.962 1.00 0.00 O ATOM 0 H GLY X 94 70.248 -0.205 16.230 1.00 0.00 H new ATOM 0 HA2 GLY X 94 69.076 0.429 18.580 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.430 1.623 17.472 1.00 0.00 H new TER 1395 GLY X 94