USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 166:sc= 0.257 USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.0732 K(o=0.18,f=-5.2) USER MOD Single : X 4 LYS NZ :NH3+ 174:sc= 1.03 (180deg=0.993) 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 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.179 USER MOD Single : X 17 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.78) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 165:sc= -0.0409 (180deg=-0.277) USER MOD Single : X 26 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.3!) USER MOD Single : X 30 THR OG1 : rot 98:sc= -0.683 USER MOD Single : X 43 LYS NZ :NH3+ -164:sc= -0.944 (180deg=-1.37) USER MOD Single : X 45 THR OG1 : rot 48:sc= -2.99! USER MOD Single : X 47 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-5.7!) USER MOD Single : X 51 THR OG1 : rot 180:sc= 0.049 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0.946) USER MOD Single : X 80 LYS NZ :NH3+ 163:sc= -0.0208 (180deg=-0.266) USER MOD Single : X 86 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.041) USER MOD Single : X 88 LYS NZ :NH3+ -167:sc= 1.29 (180deg=0.556) USER MOD Single : X 92 LYS NZ :NH3+ -126:sc= 1.21 (180deg=0.0887) USER MOD Single : X 93 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 60.957 5.007 6.555 1.00 0.00 N ATOM 17 CA LEU X 3 61.871 5.651 5.653 1.00 0.00 C ATOM 18 C LEU X 3 62.310 6.945 6.289 1.00 0.00 C ATOM 19 O LEU X 3 61.480 7.740 6.759 1.00 0.00 O ATOM 20 CB LEU X 3 61.206 5.923 4.303 1.00 0.00 C ATOM 21 CG LEU X 3 60.625 4.702 3.581 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.192 5.060 2.144 1.00 0.00 C ATOM 23 CD2 LEU X 3 61.627 3.561 3.590 1.00 0.00 C ATOM 0 HA LEU X 3 62.729 5.004 5.469 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.404 6.646 4.455 1.00 0.00 H new ATOM 0 HB3 LEU X 3 61.939 6.393 3.647 1.00 0.00 H new ATOM 0 HG LEU X 3 59.733 4.376 4.116 1.00 0.00 H new ATOM 0 HD11 LEU X 3 59.784 4.175 1.656 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.431 5.840 2.177 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.055 5.418 1.583 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.202 2.700 3.074 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.540 3.874 3.083 1.00 0.00 H new ATOM 0 HD23 LEU X 3 61.859 3.289 4.620 1.00 0.00 H new ATOM 35 N LYS X 4 63.582 7.138 6.346 1.00 0.00 N ATOM 36 CA LYS X 4 64.167 8.251 7.039 1.00 0.00 C ATOM 37 C LYS X 4 64.490 9.399 6.099 1.00 0.00 C ATOM 38 O LYS X 4 64.176 9.366 4.921 1.00 0.00 O ATOM 39 CB LYS X 4 65.452 7.783 7.705 1.00 0.00 C ATOM 40 CG LYS X 4 65.327 6.502 8.513 1.00 0.00 C ATOM 41 CD LYS X 4 64.188 6.577 9.455 1.00 0.00 C ATOM 42 CE LYS X 4 64.431 5.697 10.659 1.00 0.00 C ATOM 43 NZ LYS X 4 63.542 6.056 11.781 1.00 0.00 N ATOM 0 H LYS X 4 64.264 6.520 5.907 1.00 0.00 H new ATOM 0 HA LYS X 4 63.448 8.613 7.774 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.210 7.637 6.935 1.00 0.00 H new ATOM 0 HB3 LYS X 4 65.813 8.575 8.361 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.192 5.655 7.840 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.250 6.325 9.066 1.00 0.00 H new ATOM 0 HD2 LYS X 4 64.042 7.608 9.776 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.272 6.268 8.951 1.00 0.00 H new ATOM 0 HE2 LYS X 4 64.271 4.654 10.386 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.471 5.788 10.974 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.663 5.370 12.553 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 63.782 7.008 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.553 6.043 11.458 1.00 0.00 H new ATOM 57 N ASN X 5 65.095 10.421 6.633 1.00 0.00 N ATOM 58 CA ASN X 5 65.558 11.517 5.819 1.00 0.00 C ATOM 59 C ASN X 5 67.006 11.296 5.467 1.00 0.00 C ATOM 60 O ASN X 5 67.440 11.581 4.352 1.00 0.00 O ATOM 61 CB ASN X 5 65.379 12.882 6.501 1.00 0.00 C ATOM 62 CG ASN X 5 63.921 13.252 6.747 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.351 12.934 7.794 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.311 13.923 5.801 1.00 0.00 N ATOM 0 H ASN X 5 65.281 10.522 7.631 1.00 0.00 H new ATOM 0 HA ASN X 5 64.948 11.539 4.916 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.910 12.876 7.453 1.00 0.00 H new ATOM 0 HB3 ASN X 5 65.842 13.652 5.883 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.336 14.198 5.918 1.00 0.00 H new ATOM 0 HD22 ASN X 5 63.811 14.170 4.947 1.00 0.00 H new ATOM 71 N SER X 6 67.745 10.740 6.402 1.00 0.00 N ATOM 72 CA SER X 6 69.138 10.484 6.202 1.00 0.00 C ATOM 73 C SER X 6 69.495 9.085 6.692 1.00 0.00 C ATOM 74 O SER X 6 68.719 8.453 7.438 1.00 0.00 O ATOM 75 CB SER X 6 69.964 11.535 6.934 1.00 0.00 C ATOM 76 OG SER X 6 69.627 11.562 8.317 1.00 0.00 O ATOM 0 H SER X 6 67.391 10.457 7.316 1.00 0.00 H new ATOM 0 HA SER X 6 69.362 10.539 5.137 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.026 11.318 6.817 1.00 0.00 H new ATOM 0 HB3 SER X 6 69.789 12.516 6.492 1.00 0.00 H new ATOM 0 HG SER X 6 70.168 12.241 8.772 1.00 0.00 H new ATOM 82 N ILE X 7 70.679 8.628 6.317 1.00 0.00 N ATOM 83 CA ILE X 7 71.175 7.304 6.678 1.00 0.00 C ATOM 84 C ILE X 7 71.469 7.232 8.197 1.00 0.00 C ATOM 85 O ILE X 7 71.527 6.166 8.776 1.00 0.00 O ATOM 86 CB ILE X 7 72.468 6.963 5.860 1.00 0.00 C ATOM 87 CG1 ILE X 7 72.873 5.487 6.037 1.00 0.00 C ATOM 88 CG2 ILE X 7 73.618 7.884 6.264 1.00 0.00 C ATOM 89 CD1 ILE X 7 74.085 5.073 5.220 1.00 0.00 C ATOM 0 H ILE X 7 71.331 9.168 5.748 1.00 0.00 H new ATOM 0 HA ILE X 7 70.406 6.570 6.437 1.00 0.00 H new ATOM 0 HB ILE X 7 72.245 7.124 4.805 1.00 0.00 H new ATOM 0 HG12 ILE X 7 73.079 5.302 7.091 1.00 0.00 H new ATOM 0 HG13 ILE X 7 72.029 4.854 5.761 1.00 0.00 H new ATOM 0 HG21 ILE X 7 74.507 7.632 5.685 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.340 8.920 6.069 1.00 0.00 H new ATOM 0 HG23 ILE X 7 73.829 7.758 7.326 1.00 0.00 H new ATOM 0 HD11 ILE X 7 74.304 4.021 5.401 1.00 0.00 H new ATOM 0 HD12 ILE X 7 73.878 5.223 4.160 1.00 0.00 H new ATOM 0 HD13 ILE X 7 74.944 5.678 5.511 1.00 0.00 H new ATOM 101 N SER X 8 71.563 8.397 8.825 1.00 0.00 N ATOM 102 CA SER X 8 71.893 8.509 10.228 1.00 0.00 C ATOM 103 C SER X 8 70.756 8.006 11.114 1.00 0.00 C ATOM 104 O SER X 8 70.983 7.570 12.256 1.00 0.00 O ATOM 105 CB SER X 8 72.207 9.966 10.555 1.00 0.00 C ATOM 106 OG SER X 8 73.297 10.448 9.771 1.00 0.00 O ATOM 0 H SER X 8 71.410 9.295 8.365 1.00 0.00 H new ATOM 0 HA SER X 8 72.765 7.886 10.428 1.00 0.00 H new ATOM 0 HB2 SER X 8 71.325 10.580 10.373 1.00 0.00 H new ATOM 0 HB3 SER X 8 72.448 10.060 11.614 1.00 0.00 H new ATOM 0 HG SER X 8 73.476 11.384 10.000 1.00 0.00 H new ATOM 112 N ASP X 9 69.542 8.054 10.601 1.00 0.00 N ATOM 113 CA ASP X 9 68.400 7.610 11.381 1.00 0.00 C ATOM 114 C ASP X 9 68.106 6.169 11.038 1.00 0.00 C ATOM 115 O ASP X 9 67.389 5.469 11.753 1.00 0.00 O ATOM 116 CB ASP X 9 67.183 8.477 11.096 1.00 0.00 C ATOM 117 CG ASP X 9 66.121 8.415 12.178 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.468 8.385 13.375 1.00 0.00 O ATOM 119 OD2 ASP X 9 64.925 8.421 11.862 1.00 0.00 O ATOM 0 H ASP X 9 69.321 8.390 9.664 1.00 0.00 H new ATOM 0 HA ASP X 9 68.633 7.698 12.442 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.505 9.511 10.975 1.00 0.00 H new ATOM 0 HB3 ASP X 9 66.742 8.168 10.148 1.00 0.00 H new ATOM 124 N TYR X 10 68.675 5.724 9.936 1.00 0.00 N ATOM 125 CA TYR X 10 68.537 4.361 9.499 1.00 0.00 C ATOM 126 C TYR X 10 69.399 3.463 10.331 1.00 0.00 C ATOM 127 O TYR X 10 70.614 3.632 10.386 1.00 0.00 O ATOM 128 CB TYR X 10 68.931 4.178 8.011 1.00 0.00 C ATOM 129 CG TYR X 10 67.817 4.384 7.011 1.00 0.00 C ATOM 130 CD1 TYR X 10 66.872 3.393 6.820 1.00 0.00 C ATOM 131 CD2 TYR X 10 67.707 5.543 6.258 1.00 0.00 C ATOM 132 CE1 TYR X 10 65.845 3.539 5.922 1.00 0.00 C ATOM 133 CE2 TYR X 10 66.666 5.704 5.353 1.00 0.00 C ATOM 134 CZ TYR X 10 65.742 4.690 5.197 1.00 0.00 C ATOM 135 OH TYR X 10 64.700 4.845 4.337 1.00 0.00 O ATOM 0 H TYR X 10 69.246 6.303 9.321 1.00 0.00 H new ATOM 0 HA TYR X 10 67.485 4.100 9.613 1.00 0.00 H new ATOM 0 HB2 TYR X 10 69.737 4.874 7.779 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.331 3.172 7.881 1.00 0.00 H new ATOM 0 HD1 TYR X 10 66.944 2.480 7.393 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.438 6.329 6.376 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.122 2.747 5.790 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.580 6.613 4.777 1.00 0.00 H new ATOM 0 HH TYR X 10 64.636 5.785 4.067 1.00 0.00 H new ATOM 145 N THR X 11 68.792 2.535 11.008 1.00 0.00 N ATOM 146 CA THR X 11 69.541 1.530 11.672 1.00 0.00 C ATOM 147 C THR X 11 69.931 0.564 10.553 1.00 0.00 C ATOM 148 O THR X 11 69.362 0.678 9.439 1.00 0.00 O ATOM 149 CB THR X 11 68.662 0.794 12.716 1.00 0.00 C ATOM 150 OG1 THR X 11 67.619 0.068 12.059 1.00 0.00 O ATOM 151 CG2 THR X 11 68.011 1.785 13.660 1.00 0.00 C ATOM 0 H THR X 11 67.780 2.459 11.111 1.00 0.00 H new ATOM 0 HA THR X 11 70.398 1.936 12.209 1.00 0.00 H new ATOM 0 HB THR X 11 69.308 0.116 13.273 1.00 0.00 H new ATOM 0 HG1 THR X 11 67.071 -0.394 12.727 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.399 1.249 14.385 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.783 2.349 14.184 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.383 2.471 13.091 1.00 0.00 H new ATOM 159 N GLU X 12 70.847 -0.358 10.778 1.00 0.00 N ATOM 160 CA GLU X 12 71.191 -1.282 9.702 1.00 0.00 C ATOM 161 C GLU X 12 69.952 -2.049 9.219 1.00 0.00 C ATOM 162 O GLU X 12 69.723 -2.169 8.029 1.00 0.00 O ATOM 163 CB GLU X 12 72.341 -2.228 10.062 1.00 0.00 C ATOM 164 CG GLU X 12 72.140 -3.037 11.320 1.00 0.00 C ATOM 165 CD GLU X 12 73.177 -4.105 11.460 1.00 0.00 C ATOM 166 OE1 GLU X 12 74.261 -3.854 12.034 1.00 0.00 O ATOM 167 OE2 GLU X 12 72.935 -5.229 10.997 1.00 0.00 O ATOM 0 H GLU X 12 71.351 -0.490 11.655 1.00 0.00 H new ATOM 0 HA GLU X 12 71.558 -0.674 8.875 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.500 -2.914 9.230 1.00 0.00 H new ATOM 0 HB3 GLU X 12 73.253 -1.641 10.169 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.177 -2.377 12.187 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.149 -3.491 11.307 1.00 0.00 H new ATOM 174 N ALA X 13 69.120 -2.463 10.152 1.00 0.00 N ATOM 175 CA ALA X 13 67.900 -3.183 9.844 1.00 0.00 C ATOM 176 C ALA X 13 66.850 -2.291 9.160 1.00 0.00 C ATOM 177 O ALA X 13 66.107 -2.761 8.306 1.00 0.00 O ATOM 178 CB ALA X 13 67.348 -3.853 11.068 1.00 0.00 C ATOM 0 H ALA X 13 69.271 -2.309 11.149 1.00 0.00 H new ATOM 0 HA ALA X 13 68.158 -3.960 9.124 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.433 -4.386 10.810 1.00 0.00 H new ATOM 0 HB2 ALA X 13 68.081 -4.559 11.458 1.00 0.00 H new ATOM 0 HB3 ALA X 13 67.128 -3.101 11.826 1.00 0.00 H new ATOM 184 N GLU X 14 66.737 -1.025 9.564 1.00 0.00 N ATOM 185 CA GLU X 14 65.830 -0.095 8.868 1.00 0.00 C ATOM 186 C GLU X 14 66.247 0.062 7.431 1.00 0.00 C ATOM 187 O GLU X 14 65.412 0.121 6.524 1.00 0.00 O ATOM 188 CB GLU X 14 65.771 1.279 9.545 1.00 0.00 C ATOM 189 CG GLU X 14 64.963 1.287 10.819 1.00 0.00 C ATOM 190 CD GLU X 14 63.542 0.830 10.583 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.684 1.665 10.214 1.00 0.00 O ATOM 192 OE2 GLU X 14 63.251 -0.378 10.760 1.00 0.00 O ATOM 0 H GLU X 14 67.247 -0.621 10.350 1.00 0.00 H new ATOM 0 HA GLU X 14 64.831 -0.528 8.916 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.786 1.611 9.765 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.344 2.001 8.849 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.437 0.637 11.554 1.00 0.00 H new ATOM 0 HG3 GLU X 14 64.957 2.293 11.240 1.00 0.00 H new ATOM 199 N PHE X 15 67.538 0.081 7.226 1.00 0.00 N ATOM 200 CA PHE X 15 68.092 0.233 5.920 1.00 0.00 C ATOM 201 C PHE X 15 67.870 -1.054 5.115 1.00 0.00 C ATOM 202 O PHE X 15 67.432 -0.993 3.971 1.00 0.00 O ATOM 203 CB PHE X 15 69.571 0.592 6.038 1.00 0.00 C ATOM 204 CG PHE X 15 70.203 1.139 4.793 1.00 0.00 C ATOM 205 CD1 PHE X 15 70.124 2.489 4.499 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.904 0.321 3.947 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.740 3.002 3.376 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.519 0.825 2.819 1.00 0.00 C ATOM 209 CZ PHE X 15 71.436 2.171 2.537 1.00 0.00 C ATOM 0 H PHE X 15 68.232 -0.009 7.968 1.00 0.00 H new ATOM 0 HA PHE X 15 67.595 1.043 5.386 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.687 1.326 6.836 1.00 0.00 H new ATOM 0 HB3 PHE X 15 70.120 -0.299 6.342 1.00 0.00 H new ATOM 0 HD1 PHE X 15 69.575 3.148 5.155 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.977 -0.734 4.166 1.00 0.00 H new ATOM 0 HE1 PHE X 15 70.674 4.058 3.158 1.00 0.00 H new ATOM 0 HE2 PHE X 15 72.064 0.166 2.159 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.918 2.570 1.657 1.00 0.00 H new ATOM 219 N VAL X 16 68.119 -2.230 5.738 1.00 0.00 N ATOM 220 CA VAL X 16 67.900 -3.511 5.049 1.00 0.00 C ATOM 221 C VAL X 16 66.428 -3.648 4.646 1.00 0.00 C ATOM 222 O VAL X 16 66.130 -4.153 3.589 1.00 0.00 O ATOM 223 CB VAL X 16 68.345 -4.799 5.865 1.00 0.00 C ATOM 224 CG1 VAL X 16 69.753 -4.732 6.396 1.00 0.00 C ATOM 225 CG2 VAL X 16 67.356 -5.226 6.930 1.00 0.00 C ATOM 0 H VAL X 16 68.464 -2.313 6.694 1.00 0.00 H new ATOM 0 HA VAL X 16 68.548 -3.475 4.173 1.00 0.00 H new ATOM 0 HB VAL X 16 68.343 -5.591 5.116 1.00 0.00 H new ATOM 0 HG11 VAL X 16 69.980 -5.648 6.941 1.00 0.00 H new ATOM 0 HG12 VAL X 16 70.450 -4.621 5.565 1.00 0.00 H new ATOM 0 HG13 VAL X 16 69.849 -3.878 7.067 1.00 0.00 H new ATOM 0 HG21 VAL X 16 67.732 -6.112 7.442 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.226 -4.418 7.650 1.00 0.00 H new ATOM 0 HG23 VAL X 16 66.397 -5.456 6.465 1.00 0.00 H new ATOM 235 N GLN X 17 65.529 -3.140 5.495 1.00 0.00 N ATOM 236 CA GLN X 17 64.107 -3.177 5.285 1.00 0.00 C ATOM 237 C GLN X 17 63.751 -2.472 3.985 1.00 0.00 C ATOM 238 O GLN X 17 63.074 -3.053 3.129 1.00 0.00 O ATOM 239 CB GLN X 17 63.463 -2.531 6.515 1.00 0.00 C ATOM 240 CG GLN X 17 61.965 -2.615 6.630 1.00 0.00 C ATOM 241 CD GLN X 17 61.222 -1.593 5.798 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.855 -1.832 4.663 1.00 0.00 O ATOM 243 NE2 GLN X 17 61.004 -0.459 6.363 1.00 0.00 N ATOM 0 H GLN X 17 65.794 -2.682 6.367 1.00 0.00 H new ATOM 0 HA GLN X 17 63.733 -4.195 5.179 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.896 -2.990 7.404 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.745 -1.478 6.530 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.644 -3.613 6.331 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.684 -2.489 7.676 1.00 0.00 H new ATOM 0 HE21 GLN X 17 61.326 -0.294 7.317 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.509 0.276 5.858 1.00 0.00 H new ATOM 252 N LEU X 18 64.272 -1.268 3.819 1.00 0.00 N ATOM 253 CA LEU X 18 64.063 -0.473 2.614 1.00 0.00 C ATOM 254 C LEU X 18 64.548 -1.234 1.397 1.00 0.00 C ATOM 255 O LEU X 18 63.849 -1.371 0.411 1.00 0.00 O ATOM 256 CB LEU X 18 64.833 0.854 2.755 1.00 0.00 C ATOM 257 CG LEU X 18 65.011 1.708 1.489 1.00 0.00 C ATOM 258 CD1 LEU X 18 63.689 2.170 0.935 1.00 0.00 C ATOM 259 CD2 LEU X 18 65.930 2.885 1.758 1.00 0.00 C ATOM 0 H LEU X 18 64.856 -0.809 4.519 1.00 0.00 H new ATOM 0 HA LEU X 18 63.000 -0.268 2.488 1.00 0.00 H new ATOM 0 HB2 LEU X 18 64.322 1.462 3.502 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.823 0.628 3.151 1.00 0.00 H new ATOM 0 HG LEU X 18 65.475 1.077 0.731 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.859 2.770 0.041 1.00 0.00 H new ATOM 0 HD12 LEU X 18 63.079 1.304 0.680 1.00 0.00 H new ATOM 0 HD13 LEU X 18 63.171 2.771 1.683 1.00 0.00 H new ATOM 0 HD21 LEU X 18 66.041 3.475 0.848 1.00 0.00 H new ATOM 0 HD22 LEU X 18 65.503 3.508 2.544 1.00 0.00 H new ATOM 0 HD23 LEU X 18 66.907 2.519 2.075 1.00 0.00 H new ATOM 271 N LEU X 19 65.711 -1.763 1.527 1.00 0.00 N ATOM 272 CA LEU X 19 66.377 -2.537 0.486 1.00 0.00 C ATOM 273 C LEU X 19 65.605 -3.782 0.080 1.00 0.00 C ATOM 274 O LEU X 19 65.558 -4.132 -1.100 1.00 0.00 O ATOM 275 CB LEU X 19 67.768 -2.868 0.942 1.00 0.00 C ATOM 276 CG LEU X 19 68.831 -1.805 0.645 1.00 0.00 C ATOM 277 CD1 LEU X 19 68.413 -0.432 1.105 1.00 0.00 C ATOM 278 CD2 LEU X 19 70.077 -2.174 1.328 1.00 0.00 C ATOM 0 H LEU X 19 66.262 -1.679 2.381 1.00 0.00 H new ATOM 0 HA LEU X 19 66.422 -1.926 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU X 19 67.747 -3.045 2.017 1.00 0.00 H new ATOM 0 HB3 LEU X 19 68.073 -3.803 0.472 1.00 0.00 H new ATOM 0 HG LEU X 19 68.968 -1.767 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU X 19 69.200 0.285 0.872 1.00 0.00 H new ATOM 0 HD12 LEU X 19 67.495 -0.141 0.595 1.00 0.00 H new ATOM 0 HD13 LEU X 19 68.242 -0.445 2.181 1.00 0.00 H new ATOM 0 HD21 LEU X 19 70.840 -1.423 1.123 1.00 0.00 H new ATOM 0 HD22 LEU X 19 69.901 -2.228 2.402 1.00 0.00 H new ATOM 0 HD23 LEU X 19 70.416 -3.145 0.967 1.00 0.00 H new ATOM 290 N LYS X 20 64.977 -4.422 1.044 1.00 0.00 N ATOM 291 CA LYS X 20 64.152 -5.595 0.784 1.00 0.00 C ATOM 292 C LYS X 20 62.925 -5.204 -0.036 1.00 0.00 C ATOM 293 O LYS X 20 62.431 -5.980 -0.873 1.00 0.00 O ATOM 294 CB LYS X 20 63.721 -6.267 2.084 1.00 0.00 C ATOM 295 CG LYS X 20 64.876 -6.767 2.928 1.00 0.00 C ATOM 296 CD LYS X 20 64.417 -7.667 4.071 1.00 0.00 C ATOM 297 CE LYS X 20 63.548 -6.916 5.066 1.00 0.00 C ATOM 298 NZ LYS X 20 63.058 -7.783 6.151 1.00 0.00 N ATOM 0 H LYS X 20 65.020 -4.150 2.026 1.00 0.00 H new ATOM 0 HA LYS X 20 64.750 -6.308 0.217 1.00 0.00 H new ATOM 0 HB2 LYS X 20 63.135 -5.560 2.670 1.00 0.00 H new ATOM 0 HB3 LYS X 20 63.066 -7.106 1.848 1.00 0.00 H new ATOM 0 HG2 LYS X 20 65.573 -7.316 2.295 1.00 0.00 H new ATOM 0 HG3 LYS X 20 65.419 -5.915 3.336 1.00 0.00 H new ATOM 0 HD2 LYS X 20 63.860 -8.512 3.667 1.00 0.00 H new ATOM 0 HD3 LYS X 20 65.288 -8.075 4.584 1.00 0.00 H new ATOM 0 HE2 LYS X 20 64.119 -6.092 5.493 1.00 0.00 H new ATOM 0 HE3 LYS X 20 62.698 -6.477 4.543 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 62.471 -7.225 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 62.490 -8.556 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 63.867 -8.182 6.669 1.00 0.00 H new ATOM 312 N GLU X 21 62.416 -4.013 0.237 1.00 0.00 N ATOM 313 CA GLU X 21 61.318 -3.444 -0.529 1.00 0.00 C ATOM 314 C GLU X 21 61.794 -3.183 -1.949 1.00 0.00 C ATOM 315 O GLU X 21 61.139 -3.555 -2.924 1.00 0.00 O ATOM 316 CB GLU X 21 60.838 -2.135 0.112 1.00 0.00 C ATOM 317 CG GLU X 21 60.230 -2.279 1.499 1.00 0.00 C ATOM 318 CD GLU X 21 58.979 -3.119 1.512 1.00 0.00 C ATOM 319 OE1 GLU X 21 57.932 -2.660 0.994 1.00 0.00 O ATOM 320 OE2 GLU X 21 59.009 -4.256 2.030 1.00 0.00 O ATOM 0 H GLU X 21 62.751 -3.415 0.993 1.00 0.00 H new ATOM 0 HA GLU X 21 60.483 -4.145 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU X 21 61.682 -1.448 0.172 1.00 0.00 H new ATOM 0 HB3 GLU X 21 60.099 -1.676 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU X 21 60.967 -2.725 2.168 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.000 -1.289 1.893 1.00 0.00 H new ATOM 327 N ILE X 22 62.984 -2.606 -2.043 1.00 0.00 N ATOM 328 CA ILE X 22 63.599 -2.268 -3.310 1.00 0.00 C ATOM 329 C ILE X 22 63.715 -3.497 -4.223 1.00 0.00 C ATOM 330 O ILE X 22 63.469 -3.393 -5.411 1.00 0.00 O ATOM 331 CB ILE X 22 64.992 -1.601 -3.152 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.915 -0.396 -2.213 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.476 -1.149 -4.504 1.00 0.00 C ATOM 334 CD1 ILE X 22 66.225 0.352 -2.024 1.00 0.00 C ATOM 0 H ILE X 22 63.551 -2.359 -1.232 1.00 0.00 H new ATOM 0 HA ILE X 22 62.936 -1.537 -3.772 1.00 0.00 H new ATOM 0 HB ILE X 22 65.683 -2.328 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE X 22 64.169 0.299 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE X 22 64.563 -0.735 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.454 -0.679 -4.402 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.554 -2.009 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.770 -0.431 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE X 22 66.071 1.189 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.972 -0.323 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.572 0.727 -2.987 1.00 0.00 H new ATOM 346 N GLU X 23 64.053 -4.655 -3.648 1.00 0.00 N ATOM 347 CA GLU X 23 64.180 -5.905 -4.419 1.00 0.00 C ATOM 348 C GLU X 23 62.886 -6.223 -5.145 1.00 0.00 C ATOM 349 O GLU X 23 62.882 -6.505 -6.351 1.00 0.00 O ATOM 350 CB GLU X 23 64.466 -7.085 -3.499 1.00 0.00 C ATOM 351 CG GLU X 23 65.811 -7.115 -2.829 1.00 0.00 C ATOM 352 CD GLU X 23 65.936 -8.334 -1.945 1.00 0.00 C ATOM 353 OE1 GLU X 23 65.354 -8.346 -0.837 1.00 0.00 O ATOM 354 OE2 GLU X 23 66.570 -9.323 -2.363 1.00 0.00 O ATOM 0 H GLU X 23 64.245 -4.757 -2.651 1.00 0.00 H new ATOM 0 HA GLU X 23 64.997 -5.757 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU X 23 63.700 -7.104 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU X 23 64.355 -8.002 -4.079 1.00 0.00 H new ATOM 0 HG2 GLU X 23 66.599 -7.123 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU X 23 65.948 -6.212 -2.234 1.00 0.00 H new ATOM 361 N LYS X 24 61.799 -6.129 -4.416 1.00 0.00 N ATOM 362 CA LYS X 24 60.499 -6.484 -4.926 1.00 0.00 C ATOM 363 C LYS X 24 60.061 -5.507 -5.993 1.00 0.00 C ATOM 364 O LYS X 24 59.703 -5.897 -7.106 1.00 0.00 O ATOM 365 CB LYS X 24 59.491 -6.491 -3.806 1.00 0.00 C ATOM 366 CG LYS X 24 58.151 -7.055 -4.219 1.00 0.00 C ATOM 367 CD LYS X 24 57.176 -7.040 -3.075 1.00 0.00 C ATOM 368 CE LYS X 24 55.844 -7.624 -3.474 1.00 0.00 C ATOM 369 NZ LYS X 24 55.953 -9.041 -3.886 1.00 0.00 N ATOM 0 H LYS X 24 61.793 -5.803 -3.450 1.00 0.00 H new ATOM 0 HA LYS X 24 60.562 -7.480 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.884 -7.076 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS X 24 59.354 -5.473 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.750 -6.474 -5.049 1.00 0.00 H new ATOM 0 HG3 LYS X 24 58.279 -8.076 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS X 24 57.586 -7.606 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS X 24 57.036 -6.016 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS X 24 55.149 -7.543 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS X 24 55.425 -7.041 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 55.006 -9.471 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 56.377 -9.095 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 56.552 -9.554 -3.209 1.00 0.00 H new ATOM 383 N GLU X 25 60.126 -4.242 -5.665 1.00 0.00 N ATOM 384 CA GLU X 25 59.732 -3.200 -6.560 1.00 0.00 C ATOM 385 C GLU X 25 60.630 -3.130 -7.805 1.00 0.00 C ATOM 386 O GLU X 25 60.210 -2.631 -8.856 1.00 0.00 O ATOM 387 CB GLU X 25 59.648 -1.867 -5.819 1.00 0.00 C ATOM 388 CG GLU X 25 58.371 -1.671 -4.982 1.00 0.00 C ATOM 389 CD GLU X 25 58.020 -2.759 -3.998 1.00 0.00 C ATOM 390 OE1 GLU X 25 57.263 -3.683 -4.367 1.00 0.00 O ATOM 391 OE2 GLU X 25 58.415 -2.665 -2.837 1.00 0.00 O ATOM 0 H GLU X 25 60.458 -3.910 -4.759 1.00 0.00 H new ATOM 0 HA GLU X 25 58.735 -3.434 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU X 25 60.513 -1.778 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU X 25 59.716 -1.058 -6.547 1.00 0.00 H new ATOM 0 HG2 GLU X 25 58.468 -0.735 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU X 25 57.532 -1.552 -5.668 1.00 0.00 H new ATOM 398 N ASN X 26 61.848 -3.646 -7.681 1.00 0.00 N ATOM 399 CA ASN X 26 62.801 -3.735 -8.793 1.00 0.00 C ATOM 400 C ASN X 26 62.330 -4.805 -9.767 1.00 0.00 C ATOM 401 O ASN X 26 62.087 -4.523 -10.940 1.00 0.00 O ATOM 402 CB ASN X 26 64.220 -4.102 -8.265 1.00 0.00 C ATOM 403 CG ASN X 26 65.345 -4.099 -9.319 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.131 -4.319 -10.503 1.00 0.00 O ATOM 405 ND2 ASN X 26 66.565 -3.880 -8.872 1.00 0.00 N ATOM 0 H ASN X 26 62.209 -4.018 -6.802 1.00 0.00 H new ATOM 0 HA ASN X 26 62.854 -2.769 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN X 26 64.486 -3.401 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.174 -5.092 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN X 26 67.355 -3.892 -9.518 1.00 0.00 H new ATOM 0 HD22 ASN X 26 66.720 -3.699 -7.880 1.00 0.00 H new ATOM 412 N VAL X 27 62.134 -6.019 -9.258 1.00 0.00 N ATOM 413 CA VAL X 27 61.770 -7.159 -10.104 1.00 0.00 C ATOM 414 C VAL X 27 60.335 -7.066 -10.639 1.00 0.00 C ATOM 415 O VAL X 27 59.989 -7.718 -11.629 1.00 0.00 O ATOM 416 CB VAL X 27 62.011 -8.532 -9.407 1.00 0.00 C ATOM 417 CG1 VAL X 27 63.483 -8.705 -9.056 1.00 0.00 C ATOM 418 CG2 VAL X 27 61.139 -8.698 -8.167 1.00 0.00 C ATOM 0 H VAL X 27 62.220 -6.241 -8.266 1.00 0.00 H new ATOM 0 HA VAL X 27 62.444 -7.105 -10.959 1.00 0.00 H new ATOM 0 HB VAL X 27 61.727 -9.312 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.630 -9.670 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL X 27 64.082 -8.662 -9.966 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.792 -7.908 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL X 27 61.337 -9.668 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL X 27 61.368 -7.907 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL X 27 60.088 -8.638 -8.450 1.00 0.00 H new ATOM 428 N ALA X 28 59.508 -6.279 -9.981 1.00 0.00 N ATOM 429 CA ALA X 28 58.151 -6.050 -10.442 1.00 0.00 C ATOM 430 C ALA X 28 58.094 -4.828 -11.353 1.00 0.00 C ATOM 431 O ALA X 28 57.159 -4.678 -12.148 1.00 0.00 O ATOM 432 CB ALA X 28 57.214 -5.868 -9.263 1.00 0.00 C ATOM 0 H ALA X 28 59.752 -5.785 -9.122 1.00 0.00 H new ATOM 0 HA ALA X 28 57.831 -6.923 -11.011 1.00 0.00 H new ATOM 0 HB1 ALA X 28 56.201 -5.697 -9.627 1.00 0.00 H new ATOM 0 HB2 ALA X 28 57.231 -6.764 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.536 -5.011 -8.671 1.00 0.00 H new ATOM 438 N ALA X 29 59.120 -3.981 -11.242 1.00 0.00 N ATOM 439 CA ALA X 29 59.230 -2.719 -11.975 1.00 0.00 C ATOM 440 C ALA X 29 58.011 -1.835 -11.731 1.00 0.00 C ATOM 441 O ALA X 29 57.205 -1.567 -12.637 1.00 0.00 O ATOM 442 CB ALA X 29 59.494 -2.934 -13.465 1.00 0.00 C ATOM 0 H ALA X 29 59.914 -4.158 -10.627 1.00 0.00 H new ATOM 0 HA ALA X 29 60.101 -2.193 -11.585 1.00 0.00 H new ATOM 0 HB1 ALA X 29 59.567 -1.968 -13.965 1.00 0.00 H new ATOM 0 HB2 ALA X 29 60.428 -3.481 -13.594 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.675 -3.506 -13.901 1.00 0.00 H new ATOM 448 N THR X 30 57.854 -1.423 -10.489 1.00 0.00 N ATOM 449 CA THR X 30 56.722 -0.612 -10.078 1.00 0.00 C ATOM 450 C THR X 30 56.919 0.835 -10.516 1.00 0.00 C ATOM 451 O THR X 30 55.962 1.580 -10.726 1.00 0.00 O ATOM 452 CB THR X 30 56.567 -0.689 -8.559 1.00 0.00 C ATOM 453 OG1 THR X 30 57.803 -0.289 -7.948 1.00 0.00 O ATOM 454 CG2 THR X 30 56.265 -2.111 -8.144 1.00 0.00 C ATOM 0 H THR X 30 58.506 -1.640 -9.735 1.00 0.00 H new ATOM 0 HA THR X 30 55.817 -0.993 -10.552 1.00 0.00 H new ATOM 0 HB THR X 30 55.753 -0.036 -8.246 1.00 0.00 H new ATOM 0 HG1 THR X 30 57.746 0.652 -7.679 1.00 0.00 H new ATOM 0 HG21 THR X 30 56.156 -2.158 -7.061 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.339 -2.439 -8.617 1.00 0.00 H new ATOM 0 HG23 THR X 30 57.082 -2.762 -8.455 1.00 0.00 H new ATOM 462 N ASP X 31 58.179 1.186 -10.650 1.00 0.00 N ATOM 463 CA ASP X 31 58.659 2.484 -11.112 1.00 0.00 C ATOM 464 C ASP X 31 58.532 3.602 -10.115 1.00 0.00 C ATOM 465 O ASP X 31 59.533 4.043 -9.626 1.00 0.00 O ATOM 466 CB ASP X 31 58.160 2.889 -12.494 1.00 0.00 C ATOM 467 CG ASP X 31 58.766 4.206 -12.955 1.00 0.00 C ATOM 468 OD1 ASP X 31 59.886 4.194 -13.513 1.00 0.00 O ATOM 469 OD2 ASP X 31 58.149 5.272 -12.752 1.00 0.00 O ATOM 0 H ASP X 31 58.942 0.545 -10.430 1.00 0.00 H new ATOM 0 HA ASP X 31 59.730 2.311 -11.218 1.00 0.00 H new ATOM 0 HB2 ASP X 31 58.405 2.106 -13.212 1.00 0.00 H new ATOM 0 HB3 ASP X 31 57.074 2.976 -12.476 1.00 0.00 H new ATOM 474 N ASP X 32 57.321 4.041 -9.787 1.00 0.00 N ATOM 475 CA ASP X 32 57.161 5.218 -8.898 1.00 0.00 C ATOM 476 C ASP X 32 57.846 5.029 -7.573 1.00 0.00 C ATOM 477 O ASP X 32 58.739 5.787 -7.225 1.00 0.00 O ATOM 478 CB ASP X 32 55.700 5.609 -8.672 1.00 0.00 C ATOM 479 CG ASP X 32 55.543 6.773 -7.697 1.00 0.00 C ATOM 480 OD1 ASP X 32 55.856 7.934 -8.068 1.00 0.00 O ATOM 481 OD2 ASP X 32 55.070 6.559 -6.553 1.00 0.00 O ATOM 0 H ASP X 32 56.448 3.622 -10.107 1.00 0.00 H new ATOM 0 HA ASP X 32 57.645 6.037 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP X 32 55.249 5.878 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP X 32 55.152 4.746 -8.292 1.00 0.00 H new ATOM 486 N VAL X 33 57.501 3.972 -6.878 1.00 0.00 N ATOM 487 CA VAL X 33 58.060 3.766 -5.548 1.00 0.00 C ATOM 488 C VAL X 33 59.452 3.232 -5.659 1.00 0.00 C ATOM 489 O VAL X 33 60.307 3.585 -4.894 1.00 0.00 O ATOM 490 CB VAL X 33 57.183 2.882 -4.626 1.00 0.00 C ATOM 491 CG1 VAL X 33 56.984 1.488 -5.175 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.709 2.842 -3.194 1.00 0.00 C ATOM 0 H VAL X 33 56.852 3.252 -7.194 1.00 0.00 H new ATOM 0 HA VAL X 33 58.083 4.741 -5.062 1.00 0.00 H new ATOM 0 HB VAL X 33 56.203 3.358 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.362 0.912 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.494 1.546 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL X 33 57.952 0.999 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.061 2.210 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL X 33 58.721 2.436 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.721 3.851 -2.783 1.00 0.00 H new ATOM 502 N LEU X 34 59.673 2.459 -6.685 1.00 0.00 N ATOM 503 CA LEU X 34 60.970 1.888 -6.977 1.00 0.00 C ATOM 504 C LEU X 34 61.965 3.014 -7.160 1.00 0.00 C ATOM 505 O LEU X 34 63.013 3.003 -6.550 1.00 0.00 O ATOM 506 CB LEU X 34 60.834 1.019 -8.240 1.00 0.00 C ATOM 507 CG LEU X 34 62.047 0.215 -8.742 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.873 1.030 -9.695 1.00 0.00 C ATOM 509 CD2 LEU X 34 62.900 -0.306 -7.588 1.00 0.00 C ATOM 0 H LEU X 34 58.950 2.200 -7.356 1.00 0.00 H new ATOM 0 HA LEU X 34 61.330 1.257 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU X 34 60.024 0.312 -8.064 1.00 0.00 H new ATOM 0 HB3 LEU X 34 60.516 1.672 -9.053 1.00 0.00 H new ATOM 0 HG LEU X 34 61.662 -0.653 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.724 0.440 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU X 34 62.263 1.316 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU X 34 63.232 1.927 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU X 34 63.745 -0.868 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU X 34 63.267 0.534 -6.999 1.00 0.00 H new ATOM 0 HD23 LEU X 34 62.297 -0.957 -6.955 1.00 0.00 H new ATOM 521 N ASP X 35 61.580 4.015 -7.914 1.00 0.00 N ATOM 522 CA ASP X 35 62.432 5.161 -8.167 1.00 0.00 C ATOM 523 C ASP X 35 62.681 5.912 -6.918 1.00 0.00 C ATOM 524 O ASP X 35 63.811 6.334 -6.679 1.00 0.00 O ATOM 525 CB ASP X 35 61.851 6.079 -9.209 1.00 0.00 C ATOM 526 CG ASP X 35 62.799 7.173 -9.622 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.830 6.879 -10.264 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.531 8.344 -9.321 1.00 0.00 O ATOM 0 H ASP X 35 60.669 4.062 -8.371 1.00 0.00 H new ATOM 0 HA ASP X 35 63.377 4.777 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP X 35 61.574 5.495 -10.087 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.935 6.526 -8.822 1.00 0.00 H new ATOM 533 N VAL X 36 61.635 6.051 -6.100 1.00 0.00 N ATOM 534 CA VAL X 36 61.758 6.700 -4.802 1.00 0.00 C ATOM 535 C VAL X 36 62.825 6.038 -4.028 1.00 0.00 C ATOM 536 O VAL X 36 63.736 6.672 -3.552 1.00 0.00 O ATOM 537 CB VAL X 36 60.515 6.469 -3.926 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.703 7.061 -2.591 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.324 7.016 -4.497 1.00 0.00 C ATOM 0 H VAL X 36 60.695 5.721 -6.318 1.00 0.00 H new ATOM 0 HA VAL X 36 61.929 7.757 -5.007 1.00 0.00 H new ATOM 0 HB VAL X 36 60.396 5.388 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.813 6.887 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.565 6.602 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.871 8.134 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.481 6.822 -3.834 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.444 8.092 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.139 6.552 -5.466 1.00 0.00 H new ATOM 549 N LEU X 37 62.729 4.746 -3.990 1.00 0.00 N ATOM 550 CA LEU X 37 63.566 3.957 -3.183 1.00 0.00 C ATOM 551 C LEU X 37 64.966 4.017 -3.680 1.00 0.00 C ATOM 552 O LEU X 37 65.892 4.138 -2.902 1.00 0.00 O ATOM 553 CB LEU X 37 63.101 2.534 -3.173 1.00 0.00 C ATOM 554 CG LEU X 37 61.636 2.261 -2.789 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.342 0.772 -2.751 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.258 2.924 -1.471 1.00 0.00 C ATOM 0 H LEU X 37 62.050 4.213 -4.534 1.00 0.00 H new ATOM 0 HA LEU X 37 63.526 4.350 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU X 37 63.270 2.119 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.737 1.979 -2.484 1.00 0.00 H new ATOM 0 HG LEU X 37 61.017 2.708 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.299 0.614 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.528 0.339 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.987 0.292 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.216 2.705 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU X 37 61.895 2.540 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.392 4.002 -1.555 1.00 0.00 H new ATOM 568 N LEU X 38 65.099 3.974 -4.983 1.00 0.00 N ATOM 569 CA LEU X 38 66.374 4.023 -5.629 1.00 0.00 C ATOM 570 C LEU X 38 67.102 5.315 -5.303 1.00 0.00 C ATOM 571 O LEU X 38 68.253 5.286 -4.854 1.00 0.00 O ATOM 572 CB LEU X 38 66.192 3.929 -7.139 1.00 0.00 C ATOM 573 CG LEU X 38 65.668 2.626 -7.743 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.956 2.585 -9.212 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.207 1.400 -7.050 1.00 0.00 C ATOM 0 H LEU X 38 64.311 3.903 -5.627 1.00 0.00 H new ATOM 0 HA LEU X 38 66.966 3.182 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.513 4.727 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU X 38 67.156 4.141 -7.600 1.00 0.00 H new ATOM 0 HG LEU X 38 64.589 2.612 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.578 1.652 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.468 3.427 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU X 38 67.032 2.646 -9.374 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.800 0.506 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.294 1.387 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.917 1.419 -5.999 1.00 0.00 H new ATOM 587 N GLU X 39 66.421 6.439 -5.483 1.00 0.00 N ATOM 588 CA GLU X 39 67.027 7.722 -5.201 1.00 0.00 C ATOM 589 C GLU X 39 67.197 7.958 -3.718 1.00 0.00 C ATOM 590 O GLU X 39 68.189 8.533 -3.289 1.00 0.00 O ATOM 591 CB GLU X 39 66.322 8.896 -5.884 1.00 0.00 C ATOM 592 CG GLU X 39 64.817 8.981 -5.693 1.00 0.00 C ATOM 593 CD GLU X 39 64.276 10.355 -5.978 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.629 10.955 -7.001 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.517 10.889 -5.143 1.00 0.00 O ATOM 0 H GLU X 39 65.459 6.483 -5.820 1.00 0.00 H new ATOM 0 HA GLU X 39 68.023 7.675 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.766 9.822 -5.518 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.529 8.844 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.330 8.259 -6.348 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.568 8.701 -4.669 1.00 0.00 H new ATOM 602 N HIS X 40 66.234 7.496 -2.942 1.00 0.00 N ATOM 603 CA HIS X 40 66.251 7.632 -1.499 1.00 0.00 C ATOM 604 C HIS X 40 67.473 6.942 -0.955 1.00 0.00 C ATOM 605 O HIS X 40 68.209 7.514 -0.162 1.00 0.00 O ATOM 606 CB HIS X 40 64.967 7.005 -0.908 1.00 0.00 C ATOM 607 CG HIS X 40 64.777 7.174 0.569 1.00 0.00 C ATOM 608 ND1 HIS X 40 63.701 7.812 1.133 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.537 6.751 1.599 1.00 0.00 C ATOM 610 CE1 HIS X 40 63.837 7.760 2.447 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.944 7.125 2.782 1.00 0.00 N ATOM 0 H HIS X 40 65.411 7.011 -3.300 1.00 0.00 H new ATOM 0 HA HIS X 40 66.284 8.686 -1.222 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.106 7.438 -1.418 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.968 5.939 -1.135 1.00 0.00 H new ATOM 0 HD1 HIS X 40 62.931 8.250 0.627 1.00 0.00 H new ATOM 0 HD2 HIS X 40 66.464 6.205 1.509 1.00 0.00 H new ATOM 0 HE1 HIS X 40 63.136 8.181 3.152 1.00 0.00 H new ATOM 619 N PHE X 41 67.693 5.759 -1.443 1.00 0.00 N ATOM 620 CA PHE X 41 68.807 4.942 -1.085 1.00 0.00 C ATOM 621 C PHE X 41 70.121 5.637 -1.417 1.00 0.00 C ATOM 622 O PHE X 41 70.949 5.872 -0.537 1.00 0.00 O ATOM 623 CB PHE X 41 68.668 3.620 -1.830 1.00 0.00 C ATOM 624 CG PHE X 41 69.863 2.737 -1.823 1.00 0.00 C ATOM 625 CD1 PHE X 41 70.167 1.981 -0.724 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.679 2.658 -2.931 1.00 0.00 C ATOM 627 CE1 PHE X 41 71.267 1.151 -0.724 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.771 1.834 -2.929 1.00 0.00 C ATOM 629 CZ PHE X 41 72.065 1.078 -1.832 1.00 0.00 C ATOM 0 H PHE X 41 67.076 5.322 -2.128 1.00 0.00 H new ATOM 0 HA PHE X 41 68.817 4.761 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.832 3.069 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.407 3.836 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.538 2.035 0.153 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.455 3.250 -3.806 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.498 0.559 0.149 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.405 1.782 -3.802 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.925 0.424 -1.839 1.00 0.00 H new ATOM 639 N VAL X 42 70.291 6.005 -2.659 1.00 0.00 N ATOM 640 CA VAL X 42 71.522 6.616 -3.085 1.00 0.00 C ATOM 641 C VAL X 42 71.766 7.984 -2.477 1.00 0.00 C ATOM 642 O VAL X 42 72.880 8.333 -2.220 1.00 0.00 O ATOM 643 CB VAL X 42 71.753 6.556 -4.618 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.693 7.234 -5.415 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.150 6.992 -5.030 1.00 0.00 C ATOM 0 H VAL X 42 69.593 5.892 -3.394 1.00 0.00 H new ATOM 0 HA VAL X 42 72.307 5.986 -2.666 1.00 0.00 H new ATOM 0 HB VAL X 42 71.674 5.497 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.925 7.149 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.730 6.763 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.646 8.287 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.247 6.927 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.319 8.021 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.888 6.341 -4.560 1.00 0.00 H new ATOM 655 N LYS X 43 70.729 8.728 -2.211 1.00 0.00 N ATOM 656 CA LYS X 43 70.925 10.056 -1.586 1.00 0.00 C ATOM 657 C LYS X 43 71.388 9.937 -0.126 1.00 0.00 C ATOM 658 O LYS X 43 72.063 10.827 0.391 1.00 0.00 O ATOM 659 CB LYS X 43 69.671 10.967 -1.661 1.00 0.00 C ATOM 660 CG LYS X 43 68.611 10.780 -0.543 1.00 0.00 C ATOM 661 CD LYS X 43 67.525 11.853 -0.680 1.00 0.00 C ATOM 662 CE LYS X 43 66.422 11.742 0.369 1.00 0.00 C ATOM 663 NZ LYS X 43 65.602 10.524 0.192 1.00 0.00 N ATOM 0 H LYS X 43 69.760 8.472 -2.400 1.00 0.00 H new ATOM 0 HA LYS X 43 71.709 10.531 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS X 43 70.002 12.005 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS X 43 69.186 10.801 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.166 9.787 -0.612 1.00 0.00 H new ATOM 0 HG3 LYS X 43 69.084 10.850 0.436 1.00 0.00 H new ATOM 0 HD2 LYS X 43 67.987 12.837 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS X 43 67.080 11.783 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS X 43 66.868 11.736 1.363 1.00 0.00 H new ATOM 0 HE3 LYS X 43 65.780 12.621 0.313 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 64.720 10.618 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 65.378 10.400 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 66.132 9.696 0.533 1.00 0.00 H new ATOM 677 N ILE X 44 71.017 8.862 0.537 1.00 0.00 N ATOM 678 CA ILE X 44 71.392 8.709 1.918 1.00 0.00 C ATOM 679 C ILE X 44 72.759 8.048 2.060 1.00 0.00 C ATOM 680 O ILE X 44 73.544 8.438 2.915 1.00 0.00 O ATOM 681 CB ILE X 44 70.303 7.994 2.769 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.989 6.613 2.204 1.00 0.00 C ATOM 683 CG2 ILE X 44 69.040 8.853 2.827 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.936 5.854 2.949 1.00 0.00 C ATOM 0 H ILE X 44 70.466 8.097 0.147 1.00 0.00 H new ATOM 0 HA ILE X 44 71.474 9.716 2.327 1.00 0.00 H new ATOM 0 HB ILE X 44 70.685 7.861 3.781 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.672 6.724 1.167 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.905 6.022 2.196 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.282 8.346 3.424 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.275 9.816 3.281 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.661 9.011 1.817 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.781 4.885 2.474 1.00 0.00 H new ATOM 0 HD12 ILE X 44 69.256 5.706 3.980 1.00 0.00 H new ATOM 0 HD13 ILE X 44 68.003 6.418 2.936 1.00 0.00 H new ATOM 696 N THR X 45 73.054 7.059 1.216 1.00 0.00 N ATOM 697 CA THR X 45 74.357 6.425 1.258 1.00 0.00 C ATOM 698 C THR X 45 75.395 7.191 0.441 1.00 0.00 C ATOM 699 O THR X 45 76.590 7.192 0.796 1.00 0.00 O ATOM 700 CB THR X 45 74.343 4.928 0.836 1.00 0.00 C ATOM 701 OG1 THR X 45 75.678 4.415 0.857 1.00 0.00 O ATOM 702 CG2 THR X 45 73.762 4.726 -0.558 1.00 0.00 C ATOM 0 H THR X 45 72.417 6.690 0.510 1.00 0.00 H new ATOM 0 HA THR X 45 74.644 6.455 2.309 1.00 0.00 H new ATOM 0 HB THR X 45 73.710 4.396 1.546 1.00 0.00 H new ATOM 0 HG1 THR X 45 76.112 4.667 1.699 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.774 3.665 -0.807 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.736 5.093 -0.581 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.360 5.276 -1.285 1.00 0.00 H new ATOM 710 N GLU X 46 74.940 7.816 -0.648 1.00 0.00 N ATOM 711 CA GLU X 46 75.765 8.593 -1.589 1.00 0.00 C ATOM 712 C GLU X 46 76.809 7.734 -2.287 1.00 0.00 C ATOM 713 O GLU X 46 77.799 8.243 -2.812 1.00 0.00 O ATOM 714 CB GLU X 46 76.405 9.756 -0.890 1.00 0.00 C ATOM 715 CG GLU X 46 75.435 10.742 -0.322 1.00 0.00 C ATOM 716 CD GLU X 46 76.163 11.786 0.441 1.00 0.00 C ATOM 717 OE1 GLU X 46 76.387 11.587 1.658 1.00 0.00 O ATOM 718 OE2 GLU X 46 76.602 12.772 -0.148 1.00 0.00 O ATOM 0 H GLU X 46 73.955 7.797 -0.912 1.00 0.00 H new ATOM 0 HA GLU X 46 75.101 8.974 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU X 46 77.035 9.379 -0.085 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.060 10.272 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.859 11.202 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU X 46 74.725 10.232 0.329 1.00 0.00 H new ATOM 725 N HIS X 47 76.555 6.446 -2.336 1.00 0.00 N ATOM 726 CA HIS X 47 77.454 5.517 -2.971 1.00 0.00 C ATOM 727 C HIS X 47 77.382 5.772 -4.480 1.00 0.00 C ATOM 728 O HIS X 47 76.290 5.893 -5.018 1.00 0.00 O ATOM 729 CB HIS X 47 77.013 4.072 -2.664 1.00 0.00 C ATOM 730 CG HIS X 47 78.074 3.023 -2.899 1.00 0.00 C ATOM 731 ND1 HIS X 47 78.438 2.519 -4.134 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.856 2.388 -2.007 1.00 0.00 C ATOM 733 CE1 HIS X 47 79.407 1.620 -3.947 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.699 1.501 -2.673 1.00 0.00 N ATOM 0 H HIS X 47 75.720 6.016 -1.937 1.00 0.00 H new ATOM 0 HA HIS X 47 78.472 5.651 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.693 4.018 -1.624 1.00 0.00 H new ATOM 0 HB3 HIS X 47 76.144 3.834 -3.278 1.00 0.00 H new ATOM 0 HD2 HIS X 47 78.834 2.542 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS X 47 79.887 1.064 -4.739 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.398 0.886 -2.257 1.00 0.00 H new ATOM 742 N PRO X 48 78.524 5.825 -5.190 1.00 0.00 N ATOM 743 CA PRO X 48 78.571 6.101 -6.645 1.00 0.00 C ATOM 744 C PRO X 48 78.031 4.973 -7.469 1.00 0.00 C ATOM 745 O PRO X 48 78.054 5.016 -8.691 1.00 0.00 O ATOM 746 CB PRO X 48 80.048 6.192 -6.950 1.00 0.00 C ATOM 747 CG PRO X 48 80.732 6.318 -5.668 1.00 0.00 C ATOM 748 CD PRO X 48 79.867 5.642 -4.658 1.00 0.00 C ATOM 0 HA PRO X 48 77.981 6.988 -6.877 1.00 0.00 H new ATOM 0 HB2 PRO X 48 80.388 5.305 -7.485 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.260 7.050 -7.588 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.718 5.854 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.883 7.366 -5.410 1.00 0.00 H new ATOM 0 HD2 PRO X 48 80.118 4.586 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.974 6.093 -3.671 1.00 0.00 H new ATOM 756 N ASP X 49 77.531 3.989 -6.815 1.00 0.00 N ATOM 757 CA ASP X 49 77.076 2.836 -7.464 1.00 0.00 C ATOM 758 C ASP X 49 75.781 2.471 -6.826 1.00 0.00 C ATOM 759 O ASP X 49 75.415 1.311 -6.803 1.00 0.00 O ATOM 760 CB ASP X 49 78.028 1.632 -7.324 1.00 0.00 C ATOM 761 CG ASP X 49 79.357 1.770 -8.009 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.418 1.674 -9.250 1.00 0.00 O ATOM 763 OD2 ASP X 49 80.365 1.918 -7.311 1.00 0.00 O ATOM 0 H ASP X 49 77.429 3.971 -5.800 1.00 0.00 H new ATOM 0 HA ASP X 49 76.997 3.055 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.204 1.452 -6.263 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.527 0.748 -7.718 1.00 0.00 H new ATOM 768 N GLY X 50 75.100 3.492 -6.291 1.00 0.00 N ATOM 769 CA GLY X 50 73.864 3.321 -5.541 1.00 0.00 C ATOM 770 C GLY X 50 72.914 2.396 -6.189 1.00 0.00 C ATOM 771 O GLY X 50 72.583 1.342 -5.649 1.00 0.00 O ATOM 0 H GLY X 50 75.399 4.464 -6.371 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.100 2.949 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.386 4.292 -5.414 1.00 0.00 H new ATOM 775 N THR X 51 72.553 2.697 -7.355 1.00 0.00 N ATOM 776 CA THR X 51 71.598 1.881 -7.982 1.00 0.00 C ATOM 777 C THR X 51 72.172 0.605 -8.553 1.00 0.00 C ATOM 778 O THR X 51 71.480 -0.413 -8.607 1.00 0.00 O ATOM 779 CB THR X 51 70.686 2.627 -8.923 1.00 0.00 C ATOM 780 OG1 THR X 51 71.255 3.928 -9.251 1.00 0.00 O ATOM 781 CG2 THR X 51 69.345 2.778 -8.246 1.00 0.00 C ATOM 0 H THR X 51 72.893 3.490 -7.899 1.00 0.00 H new ATOM 0 HA THR X 51 70.940 1.546 -7.180 1.00 0.00 H new ATOM 0 HB THR X 51 70.568 2.078 -9.857 1.00 0.00 H new ATOM 0 HG1 THR X 51 70.655 4.402 -9.864 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.663 3.315 -8.905 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.935 1.792 -8.026 1.00 0.00 H new ATOM 0 HG23 THR X 51 69.467 3.336 -7.317 1.00 0.00 H new ATOM 789 N ALA X 52 73.456 0.624 -8.878 1.00 0.00 N ATOM 790 CA ALA X 52 74.121 -0.559 -9.364 1.00 0.00 C ATOM 791 C ALA X 52 74.132 -1.611 -8.280 1.00 0.00 C ATOM 792 O ALA X 52 73.912 -2.782 -8.568 1.00 0.00 O ATOM 793 CB ALA X 52 75.527 -0.246 -9.847 1.00 0.00 C ATOM 0 H ALA X 52 74.052 1.449 -8.811 1.00 0.00 H new ATOM 0 HA ALA X 52 73.571 -0.944 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA X 52 76.000 -1.160 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA X 52 75.480 0.481 -10.657 1.00 0.00 H new ATOM 0 HB3 ALA X 52 76.111 0.165 -9.024 1.00 0.00 H new ATOM 799 N LEU X 53 74.307 -1.175 -7.026 1.00 0.00 N ATOM 800 CA LEU X 53 74.303 -2.073 -5.879 1.00 0.00 C ATOM 801 C LEU X 53 72.954 -2.716 -5.694 1.00 0.00 C ATOM 802 O LEU X 53 72.863 -3.890 -5.386 1.00 0.00 O ATOM 803 CB LEU X 53 74.722 -1.360 -4.602 1.00 0.00 C ATOM 804 CG LEU X 53 76.144 -0.807 -4.580 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.446 -0.240 -3.229 1.00 0.00 C ATOM 806 CD2 LEU X 53 77.168 -1.870 -4.956 1.00 0.00 C ATOM 0 H LEU X 53 74.454 -0.195 -6.786 1.00 0.00 H new ATOM 0 HA LEU X 53 75.035 -2.853 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU X 53 74.030 -0.536 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.610 -2.054 -3.769 1.00 0.00 H new ATOM 0 HG LEU X 53 76.211 -0.015 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.462 0.154 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.744 0.563 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU X 53 76.352 -1.023 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU X 53 78.168 -1.437 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU X 53 77.111 -2.697 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.959 -2.238 -5.961 1.00 0.00 H new ATOM 818 N ILE X 54 71.915 -1.958 -5.936 1.00 0.00 N ATOM 819 CA ILE X 54 70.558 -2.450 -5.803 1.00 0.00 C ATOM 820 C ILE X 54 70.299 -3.503 -6.855 1.00 0.00 C ATOM 821 O ILE X 54 69.752 -4.578 -6.579 1.00 0.00 O ATOM 822 CB ILE X 54 69.540 -1.289 -5.934 1.00 0.00 C ATOM 823 CG1 ILE X 54 69.428 -0.523 -4.616 1.00 0.00 C ATOM 824 CG2 ILE X 54 68.171 -1.776 -6.409 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.693 0.783 -4.745 1.00 0.00 C ATOM 0 H ILE X 54 71.980 -0.984 -6.230 1.00 0.00 H new ATOM 0 HA ILE X 54 70.436 -2.894 -4.815 1.00 0.00 H new ATOM 0 HB ILE X 54 69.915 -0.608 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.917 -1.148 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE X 54 70.429 -0.332 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.490 -0.928 -6.486 1.00 0.00 H new ATOM 0 HG22 ILE X 54 68.272 -2.250 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.773 -2.497 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.650 1.274 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE X 54 69.215 1.426 -5.454 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.680 0.597 -5.102 1.00 0.00 H new ATOM 837 N TYR X 55 70.696 -3.180 -8.052 1.00 0.00 N ATOM 838 CA TYR X 55 70.525 -4.044 -9.160 1.00 0.00 C ATOM 839 C TYR X 55 71.302 -5.353 -9.020 1.00 0.00 C ATOM 840 O TYR X 55 70.730 -6.436 -9.219 1.00 0.00 O ATOM 841 CB TYR X 55 70.800 -3.315 -10.451 1.00 0.00 C ATOM 842 CG TYR X 55 69.607 -2.509 -10.937 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.592 -3.113 -11.671 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.486 -1.161 -10.654 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.497 -2.388 -12.106 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.403 -0.432 -11.082 1.00 0.00 C ATOM 847 CZ TYR X 55 67.409 -1.047 -11.804 1.00 0.00 C ATOM 848 OH TYR X 55 66.328 -0.308 -12.232 1.00 0.00 O ATOM 0 H TYR X 55 71.152 -2.296 -8.278 1.00 0.00 H new ATOM 0 HA TYR X 55 69.479 -4.350 -9.183 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.651 -2.648 -10.312 1.00 0.00 H new ATOM 0 HB3 TYR X 55 71.082 -4.037 -11.218 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.660 -4.165 -11.905 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.260 -0.670 -10.084 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.718 -2.870 -12.678 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.333 0.621 -10.852 1.00 0.00 H new ATOM 0 HH TYR X 55 66.426 0.619 -11.931 1.00 0.00 H new ATOM 858 N GLU X 56 72.580 -5.267 -8.628 1.00 0.00 N ATOM 859 CA GLU X 56 73.360 -6.473 -8.393 1.00 0.00 C ATOM 860 C GLU X 56 72.787 -7.266 -7.238 1.00 0.00 C ATOM 861 O GLU X 56 72.693 -8.470 -7.324 1.00 0.00 O ATOM 862 CB GLU X 56 74.882 -6.221 -8.204 1.00 0.00 C ATOM 863 CG GLU X 56 75.236 -5.079 -7.263 1.00 0.00 C ATOM 864 CD GLU X 56 76.716 -4.942 -6.966 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.478 -4.440 -7.829 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.142 -5.296 -5.853 1.00 0.00 O ATOM 0 H GLU X 56 73.081 -4.392 -8.472 1.00 0.00 H new ATOM 0 HA GLU X 56 73.278 -7.063 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.342 -7.135 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.325 -6.018 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.878 -4.145 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.702 -5.221 -6.323 1.00 0.00 H new ATOM 873 N ALA X 57 72.354 -6.575 -6.183 1.00 0.00 N ATOM 874 CA ALA X 57 71.774 -7.236 -5.018 1.00 0.00 C ATOM 875 C ALA X 57 70.575 -8.047 -5.392 1.00 0.00 C ATOM 876 O ALA X 57 70.520 -9.204 -5.076 1.00 0.00 O ATOM 877 CB ALA X 57 71.377 -6.251 -3.965 1.00 0.00 C ATOM 0 H ALA X 57 72.395 -5.558 -6.113 1.00 0.00 H new ATOM 0 HA ALA X 57 72.548 -7.893 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA X 57 70.949 -6.781 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.254 -5.692 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.637 -5.562 -4.372 1.00 0.00 H new ATOM 1025 N GLY X 71 72.111 -10.228 -1.219 1.00 0.00 N ATOM 1026 CA GLY X 71 70.995 -9.991 -0.383 1.00 0.00 C ATOM 1027 C GLY X 71 70.948 -8.580 0.051 1.00 0.00 C ATOM 1028 O GLY X 71 71.962 -7.871 -0.026 1.00 0.00 O ATOM 0 HA2 GLY X 71 70.078 -10.242 -0.915 1.00 0.00 H new ATOM 0 HA3 GLY X 71 71.045 -10.642 0.490 1.00 0.00 H new ATOM 1032 N PRO X 72 69.791 -8.136 0.511 1.00 0.00 N ATOM 1033 CA PRO X 72 69.595 -6.795 1.038 1.00 0.00 C ATOM 1034 C PRO X 72 70.553 -6.526 2.187 1.00 0.00 C ATOM 1035 O PRO X 72 71.201 -5.501 2.245 1.00 0.00 O ATOM 1036 CB PRO X 72 68.158 -6.802 1.547 1.00 0.00 C ATOM 1037 CG PRO X 72 67.707 -8.223 1.503 1.00 0.00 C ATOM 1038 CD PRO X 72 68.556 -8.917 0.510 1.00 0.00 C ATOM 0 HA PRO X 72 69.778 -6.024 0.290 1.00 0.00 H new ATOM 0 HB2 PRO X 72 68.103 -6.407 2.562 1.00 0.00 H new ATOM 0 HB3 PRO X 72 67.522 -6.172 0.925 1.00 0.00 H new ATOM 0 HG2 PRO X 72 67.803 -8.688 2.484 1.00 0.00 H new ATOM 0 HG3 PRO X 72 66.656 -8.285 1.222 1.00 0.00 H new ATOM 0 HD2 PRO X 72 68.737 -9.954 0.792 1.00 0.00 H new ATOM 0 HD3 PRO X 72 68.091 -8.931 -0.476 1.00 0.00 H new ATOM 1046 N GLU X 73 70.706 -7.521 3.037 1.00 0.00 N ATOM 1047 CA GLU X 73 71.587 -7.461 4.196 1.00 0.00 C ATOM 1048 C GLU X 73 73.035 -7.670 3.768 1.00 0.00 C ATOM 1049 O GLU X 73 73.927 -7.738 4.599 1.00 0.00 O ATOM 1050 CB GLU X 73 71.190 -8.510 5.220 1.00 0.00 C ATOM 1051 CG GLU X 73 69.745 -8.438 5.656 1.00 0.00 C ATOM 1052 CD GLU X 73 69.403 -9.525 6.635 1.00 0.00 C ATOM 1053 OE1 GLU X 73 69.555 -9.325 7.857 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.993 -10.618 6.196 1.00 0.00 O ATOM 0 H GLU X 73 70.216 -8.411 2.944 1.00 0.00 H new ATOM 0 HA GLU X 73 71.492 -6.475 4.652 1.00 0.00 H new ATOM 0 HB2 GLU X 73 71.383 -9.499 4.803 1.00 0.00 H new ATOM 0 HB3 GLU X 73 71.828 -8.404 6.098 1.00 0.00 H new ATOM 0 HG2 GLU X 73 69.550 -7.466 6.109 1.00 0.00 H new ATOM 0 HG3 GLU X 73 69.097 -8.518 4.783 1.00 0.00 H new ATOM 1061 N GLY X 74 73.262 -7.822 2.497 1.00 0.00 N ATOM 1062 CA GLY X 74 74.605 -7.935 2.045 1.00 0.00 C ATOM 1063 C GLY X 74 75.084 -6.714 1.333 1.00 0.00 C ATOM 1064 O GLY X 74 76.246 -6.365 1.440 1.00 0.00 O ATOM 0 H GLY X 74 72.546 -7.869 1.772 1.00 0.00 H new ATOM 0 HA2 GLY X 74 75.255 -8.130 2.898 1.00 0.00 H new ATOM 0 HA3 GLY X 74 74.688 -8.794 1.379 1.00 0.00 H new ATOM 1068 N ILE X 75 74.212 -6.056 0.603 1.00 0.00 N ATOM 1069 CA ILE X 75 74.578 -4.769 0.002 1.00 0.00 C ATOM 1070 C ILE X 75 74.783 -3.734 1.054 1.00 0.00 C ATOM 1071 O ILE X 75 75.519 -2.784 0.853 1.00 0.00 O ATOM 1072 CB ILE X 75 73.563 -4.224 -0.993 1.00 0.00 C ATOM 1073 CG1 ILE X 75 72.158 -4.716 -0.645 1.00 0.00 C ATOM 1074 CG2 ILE X 75 73.984 -4.547 -2.401 1.00 0.00 C ATOM 1075 CD1 ILE X 75 71.044 -3.975 -1.303 1.00 0.00 C ATOM 0 H ILE X 75 73.262 -6.371 0.407 1.00 0.00 H new ATOM 0 HA ILE X 75 75.498 -4.976 -0.544 1.00 0.00 H new ATOM 0 HB ILE X 75 73.530 -3.137 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE X 75 72.082 -5.769 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE X 75 72.026 -4.654 0.435 1.00 0.00 H new ATOM 0 HG21 ILE X 75 73.248 -4.151 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE X 75 74.956 -4.096 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE X 75 74.053 -5.628 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE X 75 70.090 -4.400 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE X 75 71.085 -2.925 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE X 75 71.142 -4.057 -2.385 1.00 0.00 H new ATOM 1087 N VAL X 76 74.129 -3.918 2.186 1.00 0.00 N ATOM 1088 CA VAL X 76 74.281 -3.056 3.271 1.00 0.00 C ATOM 1089 C VAL X 76 75.718 -3.047 3.767 1.00 0.00 C ATOM 1090 O VAL X 76 76.233 -2.031 4.182 1.00 0.00 O ATOM 1091 CB VAL X 76 73.314 -3.390 4.390 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.897 -3.159 4.014 1.00 0.00 C ATOM 1093 CG2 VAL X 76 73.510 -4.738 5.006 1.00 0.00 C ATOM 0 H VAL X 76 73.479 -4.687 2.348 1.00 0.00 H new ATOM 0 HA VAL X 76 74.041 -2.050 2.926 1.00 0.00 H new ATOM 0 HB VAL X 76 73.566 -2.677 5.175 1.00 0.00 H new ATOM 0 HG11 VAL X 76 71.251 -3.415 4.854 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.756 -2.110 3.755 1.00 0.00 H new ATOM 0 HG13 VAL X 76 71.642 -3.782 3.157 1.00 0.00 H new ATOM 0 HG21 VAL X 76 72.774 -4.888 5.796 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.386 -5.508 4.244 1.00 0.00 H new ATOM 0 HG23 VAL X 76 74.513 -4.803 5.428 1.00 0.00 H new ATOM 1103 N LYS X 77 76.344 -4.183 3.678 1.00 0.00 N ATOM 1104 CA LYS X 77 77.749 -4.336 3.999 1.00 0.00 C ATOM 1105 C LYS X 77 78.587 -3.463 3.058 1.00 0.00 C ATOM 1106 O LYS X 77 79.450 -2.720 3.504 1.00 0.00 O ATOM 1107 CB LYS X 77 78.159 -5.801 3.873 1.00 0.00 C ATOM 1108 CG LYS X 77 79.616 -6.088 4.185 1.00 0.00 C ATOM 1109 CD LYS X 77 79.938 -7.553 3.966 1.00 0.00 C ATOM 1110 CE LYS X 77 81.401 -7.858 4.240 1.00 0.00 C ATOM 1111 NZ LYS X 77 82.306 -7.125 3.330 1.00 0.00 N ATOM 0 H LYS X 77 75.894 -5.048 3.377 1.00 0.00 H new ATOM 0 HA LYS X 77 77.922 -4.017 5.027 1.00 0.00 H new ATOM 0 HB2 LYS X 77 77.536 -6.396 4.541 1.00 0.00 H new ATOM 0 HB3 LYS X 77 77.948 -6.136 2.857 1.00 0.00 H new ATOM 0 HG2 LYS X 77 80.256 -5.473 3.552 1.00 0.00 H new ATOM 0 HG3 LYS X 77 79.831 -5.815 5.218 1.00 0.00 H new ATOM 0 HD2 LYS X 77 79.312 -8.164 4.616 1.00 0.00 H new ATOM 0 HD3 LYS X 77 79.696 -7.829 2.940 1.00 0.00 H new ATOM 0 HE2 LYS X 77 81.637 -7.597 5.272 1.00 0.00 H new ATOM 0 HE3 LYS X 77 81.573 -8.929 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 83.280 -7.464 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 82.013 -7.286 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 82.262 -6.108 3.542 1.00 0.00 H new ATOM 1125 N GLU X 78 78.284 -3.537 1.757 1.00 0.00 N ATOM 1126 CA GLU X 78 78.980 -2.733 0.743 1.00 0.00 C ATOM 1127 C GLU X 78 78.811 -1.237 1.071 1.00 0.00 C ATOM 1128 O GLU X 78 79.775 -0.454 1.051 1.00 0.00 O ATOM 1129 CB GLU X 78 78.421 -3.049 -0.677 1.00 0.00 C ATOM 1130 CG GLU X 78 79.198 -2.399 -1.809 1.00 0.00 C ATOM 1131 CD GLU X 78 80.586 -2.959 -1.953 1.00 0.00 C ATOM 1132 OE1 GLU X 78 81.488 -2.576 -1.179 1.00 0.00 O ATOM 1133 OE2 GLU X 78 80.806 -3.792 -2.859 1.00 0.00 O ATOM 0 H GLU X 78 77.559 -4.147 1.380 1.00 0.00 H new ATOM 0 HA GLU X 78 80.041 -2.982 0.752 1.00 0.00 H new ATOM 0 HB2 GLU X 78 78.422 -4.129 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU X 78 77.383 -2.721 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU X 78 78.655 -2.538 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU X 78 79.260 -1.325 -1.633 1.00 0.00 H new ATOM 1140 N ILE X 79 77.592 -0.883 1.431 1.00 0.00 N ATOM 1141 CA ILE X 79 77.235 0.475 1.787 1.00 0.00 C ATOM 1142 C ILE X 79 77.952 0.949 3.055 1.00 0.00 C ATOM 1143 O ILE X 79 78.541 2.047 3.081 1.00 0.00 O ATOM 1144 CB ILE X 79 75.690 0.595 1.988 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.943 0.397 0.666 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.286 1.908 2.653 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.323 1.393 -0.404 1.00 0.00 C ATOM 0 H ILE X 79 76.813 -1.539 1.485 1.00 0.00 H new ATOM 0 HA ILE X 79 77.553 1.114 0.963 1.00 0.00 H new ATOM 0 HB ILE X 79 75.401 -0.206 2.669 1.00 0.00 H new ATOM 0 HG12 ILE X 79 75.137 -0.610 0.297 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.871 0.468 0.851 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.203 1.939 2.769 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.758 1.980 3.633 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.609 2.744 2.033 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.753 1.189 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE X 79 75.103 2.402 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.388 1.308 -0.619 1.00 0.00 H new ATOM 1159 N LYS X 80 77.949 0.112 4.078 1.00 0.00 N ATOM 1160 CA LYS X 80 78.485 0.498 5.365 1.00 0.00 C ATOM 1161 C LYS X 80 79.990 0.694 5.300 1.00 0.00 C ATOM 1162 O LYS X 80 80.521 1.636 5.901 1.00 0.00 O ATOM 1163 CB LYS X 80 78.088 -0.505 6.473 1.00 0.00 C ATOM 1164 CG LYS X 80 78.843 -1.819 6.492 1.00 0.00 C ATOM 1165 CD LYS X 80 78.245 -2.767 7.510 1.00 0.00 C ATOM 1166 CE LYS X 80 79.141 -3.965 7.769 1.00 0.00 C ATOM 1167 NZ LYS X 80 80.397 -3.576 8.450 1.00 0.00 N ATOM 0 H LYS X 80 77.581 -0.838 4.039 1.00 0.00 H new ATOM 0 HA LYS X 80 78.041 1.458 5.629 1.00 0.00 H new ATOM 0 HB2 LYS X 80 78.224 -0.019 7.439 1.00 0.00 H new ATOM 0 HB3 LYS X 80 77.025 -0.723 6.372 1.00 0.00 H new ATOM 0 HG2 LYS X 80 78.814 -2.275 5.502 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.891 -1.638 6.729 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.074 -2.234 8.445 1.00 0.00 H new ATOM 0 HD3 LYS X 80 77.273 -3.111 7.157 1.00 0.00 H new ATOM 0 HE2 LYS X 80 78.607 -4.693 8.380 1.00 0.00 H new ATOM 0 HE3 LYS X 80 79.377 -4.454 6.824 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 80.843 -4.419 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 81.046 -3.144 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 80.186 -2.891 9.204 1.00 0.00 H new ATOM 1181 N GLU X 81 80.660 -0.143 4.521 1.00 0.00 N ATOM 1182 CA GLU X 81 82.097 -0.081 4.414 1.00 0.00 C ATOM 1183 C GLU X 81 82.538 1.144 3.658 1.00 0.00 C ATOM 1184 O GLU X 81 83.507 1.799 4.050 1.00 0.00 O ATOM 1185 CB GLU X 81 82.662 -1.347 3.798 1.00 0.00 C ATOM 1186 CG GLU X 81 82.404 -2.579 4.637 1.00 0.00 C ATOM 1187 CD GLU X 81 82.981 -3.815 4.029 1.00 0.00 C ATOM 1188 OE1 GLU X 81 84.155 -4.141 4.299 1.00 0.00 O ATOM 1189 OE2 GLU X 81 82.286 -4.501 3.273 1.00 0.00 O ATOM 0 H GLU X 81 80.224 -0.872 3.956 1.00 0.00 H new ATOM 0 HA GLU X 81 82.498 -0.004 5.425 1.00 0.00 H new ATOM 0 HB2 GLU X 81 82.225 -1.490 2.809 1.00 0.00 H new ATOM 0 HB3 GLU X 81 83.736 -1.228 3.658 1.00 0.00 H new ATOM 0 HG2 GLU X 81 82.829 -2.434 5.630 1.00 0.00 H new ATOM 0 HG3 GLU X 81 81.329 -2.709 4.766 1.00 0.00 H new ATOM 1196 N TRP X 82 81.802 1.478 2.614 1.00 0.00 N ATOM 1197 CA TRP X 82 82.092 2.644 1.799 1.00 0.00 C ATOM 1198 C TRP X 82 81.918 3.889 2.626 1.00 0.00 C ATOM 1199 O TRP X 82 82.778 4.771 2.646 1.00 0.00 O ATOM 1200 CB TRP X 82 81.097 2.733 0.667 1.00 0.00 C ATOM 1201 CG TRP X 82 81.453 3.748 -0.381 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.265 3.553 -1.453 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.993 5.106 -0.472 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.346 4.691 -2.196 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.577 5.659 -1.622 1.00 0.00 C ATOM 1206 CE3 TRP X 82 80.150 5.905 0.308 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.346 6.965 -2.023 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.922 7.205 -0.088 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.516 7.724 -1.246 1.00 0.00 C ATOM 0 H TRP X 82 80.986 0.949 2.307 1.00 0.00 H new ATOM 0 HA TRP X 82 83.111 2.557 1.421 1.00 0.00 H new ATOM 0 HB2 TRP X 82 81.010 1.754 0.195 1.00 0.00 H new ATOM 0 HB3 TRP X 82 80.117 2.977 1.077 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.773 2.628 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.896 4.802 -3.048 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.688 5.511 1.201 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.804 7.368 -2.915 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.274 7.835 0.504 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.314 8.746 -1.531 1.00 0.00 H new ATOM 1220 N ARG X 83 80.800 3.938 3.320 1.00 0.00 N ATOM 1221 CA ARG X 83 80.416 5.079 4.105 1.00 0.00 C ATOM 1222 C ARG X 83 81.461 5.315 5.194 1.00 0.00 C ATOM 1223 O ARG X 83 81.935 6.440 5.384 1.00 0.00 O ATOM 1224 CB ARG X 83 79.100 4.785 4.779 1.00 0.00 C ATOM 1225 CG ARG X 83 78.338 5.986 5.226 1.00 0.00 C ATOM 1226 CD ARG X 83 77.632 6.745 4.106 1.00 0.00 C ATOM 1227 NE ARG X 83 76.873 7.863 4.692 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.509 9.004 4.080 1.00 0.00 C ATOM 1229 NH1 ARG X 83 76.621 9.146 2.769 1.00 0.00 N ATOM 1230 NH2 ARG X 83 75.979 9.984 4.791 1.00 0.00 N ATOM 0 H ARG X 83 80.127 3.172 3.351 1.00 0.00 H new ATOM 0 HA ARG X 83 80.334 5.955 3.461 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.477 4.213 4.091 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.286 4.149 5.644 1.00 0.00 H new ATOM 0 HG2 ARG X 83 77.595 5.676 5.961 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.023 6.666 5.732 1.00 0.00 H new ATOM 0 HD2 ARG X 83 78.361 7.120 3.387 1.00 0.00 H new ATOM 0 HD3 ARG X 83 76.962 6.078 3.563 1.00 0.00 H new ATOM 0 HE ARG X 83 76.593 7.761 5.668 1.00 0.00 H new ATOM 0 HH11 ARG X 83 76.989 8.382 2.203 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.339 10.020 2.325 1.00 0.00 H new ATOM 0 HH21 ARG X 83 75.849 9.872 5.796 1.00 0.00 H new ATOM 0 HH22 ARG X 83 75.700 10.852 4.334 1.00 0.00 H new ATOM 1244 N ALA X 84 81.854 4.234 5.858 1.00 0.00 N ATOM 1245 CA ALA X 84 82.827 4.292 6.934 1.00 0.00 C ATOM 1246 C ALA X 84 84.202 4.666 6.412 1.00 0.00 C ATOM 1247 O ALA X 84 84.931 5.426 7.057 1.00 0.00 O ATOM 1248 CB ALA X 84 82.886 2.967 7.679 1.00 0.00 C ATOM 0 H ALA X 84 81.506 3.295 5.663 1.00 0.00 H new ATOM 0 HA ALA X 84 82.506 5.068 7.629 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.621 3.033 8.481 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.907 2.744 8.102 1.00 0.00 H new ATOM 0 HB3 ALA X 84 83.172 2.174 6.988 1.00 0.00 H new ATOM 1254 N ALA X 85 84.557 4.144 5.247 1.00 0.00 N ATOM 1255 CA ALA X 85 85.846 4.438 4.640 1.00 0.00 C ATOM 1256 C ALA X 85 85.910 5.879 4.179 1.00 0.00 C ATOM 1257 O ALA X 85 86.932 6.530 4.317 1.00 0.00 O ATOM 1258 CB ALA X 85 86.128 3.497 3.484 1.00 0.00 C ATOM 0 H ALA X 85 83.969 3.513 4.702 1.00 0.00 H new ATOM 0 HA ALA X 85 86.614 4.287 5.398 1.00 0.00 H new ATOM 0 HB1 ALA X 85 87.097 3.737 3.047 1.00 0.00 H new ATOM 0 HB2 ALA X 85 86.138 2.469 3.846 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.352 3.608 2.727 1.00 0.00 H new ATOM 1264 N ASN X 86 84.797 6.380 3.657 1.00 0.00 N ATOM 1265 CA ASN X 86 84.724 7.765 3.181 1.00 0.00 C ATOM 1266 C ASN X 86 84.798 8.701 4.372 1.00 0.00 C ATOM 1267 O ASN X 86 85.402 9.772 4.313 1.00 0.00 O ATOM 1268 CB ASN X 86 83.401 8.026 2.435 1.00 0.00 C ATOM 1269 CG ASN X 86 83.433 9.286 1.568 1.00 0.00 C ATOM 1270 OD1 ASN X 86 83.725 9.208 0.380 1.00 0.00 O ATOM 1271 ND2 ASN X 86 83.175 10.437 2.135 1.00 0.00 N ATOM 0 H ASN X 86 83.931 5.852 3.551 1.00 0.00 H new ATOM 0 HA ASN X 86 85.555 7.938 2.497 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.171 7.166 1.806 1.00 0.00 H new ATOM 0 HB3 ASN X 86 82.593 8.114 3.162 1.00 0.00 H new ATOM 0 HD21 ASN X 86 83.214 11.296 1.586 1.00 0.00 H new ATOM 0 HD22 ASN X 86 82.934 10.475 3.125 1.00 0.00 H new ATOM 1278 N GLY X 87 84.195 8.275 5.453 1.00 0.00 N ATOM 1279 CA GLY X 87 84.152 9.072 6.639 1.00 0.00 C ATOM 1280 C GLY X 87 82.833 9.766 6.748 1.00 0.00 C ATOM 1281 O GLY X 87 82.765 10.960 7.050 1.00 0.00 O ATOM 0 H GLY X 87 83.726 7.373 5.530 1.00 0.00 H new ATOM 0 HA2 GLY X 87 84.313 8.443 7.514 1.00 0.00 H new ATOM 0 HA3 GLY X 87 84.957 9.807 6.621 1.00 0.00 H new ATOM 1285 N LYS X 88 81.785 9.039 6.437 1.00 0.00 N ATOM 1286 CA LYS X 88 80.473 9.511 6.496 1.00 0.00 C ATOM 1287 C LYS X 88 79.733 8.647 7.499 1.00 0.00 C ATOM 1288 O LYS X 88 80.079 7.467 7.646 1.00 0.00 O ATOM 1289 CB LYS X 88 79.867 9.333 5.121 1.00 0.00 C ATOM 1290 CG LYS X 88 80.218 10.394 4.090 1.00 0.00 C ATOM 1291 CD LYS X 88 79.690 10.013 2.709 1.00 0.00 C ATOM 1292 CE LYS X 88 79.882 11.119 1.670 1.00 0.00 C ATOM 1293 NZ LYS X 88 79.005 12.297 1.910 1.00 0.00 N ATOM 0 H LYS X 88 81.855 8.070 6.128 1.00 0.00 H new ATOM 0 HA LYS X 88 80.420 10.559 6.792 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.177 8.363 4.733 1.00 0.00 H new ATOM 0 HB3 LYS X 88 78.782 9.303 5.226 1.00 0.00 H new ATOM 0 HG2 LYS X 88 79.797 11.353 4.392 1.00 0.00 H new ATOM 0 HG3 LYS X 88 81.300 10.520 4.047 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.197 9.110 2.369 1.00 0.00 H new ATOM 0 HD3 LYS X 88 78.629 9.773 2.785 1.00 0.00 H new ATOM 0 HE2 LYS X 88 80.924 11.440 1.677 1.00 0.00 H new ATOM 0 HE3 LYS X 88 79.679 10.717 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 79.011 12.911 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 78.034 11.975 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 79.356 12.829 2.732 1.00 0.00 H new ATOM 1307 N PRO X 89 78.750 9.195 8.225 1.00 0.00 N ATOM 1308 CA PRO X 89 77.961 8.418 9.185 1.00 0.00 C ATOM 1309 C PRO X 89 77.216 7.280 8.490 1.00 0.00 C ATOM 1310 O PRO X 89 76.575 7.490 7.441 1.00 0.00 O ATOM 1311 CB PRO X 89 76.974 9.438 9.775 1.00 0.00 C ATOM 1312 CG PRO X 89 76.970 10.579 8.813 1.00 0.00 C ATOM 1313 CD PRO X 89 78.337 10.610 8.195 1.00 0.00 C ATOM 0 HA PRO X 89 78.582 7.947 9.947 1.00 0.00 H new ATOM 0 HB2 PRO X 89 75.978 9.007 9.880 1.00 0.00 H new ATOM 0 HB3 PRO X 89 77.288 9.761 10.768 1.00 0.00 H new ATOM 0 HG2 PRO X 89 76.202 10.444 8.052 1.00 0.00 H new ATOM 0 HG3 PRO X 89 76.752 11.517 9.323 1.00 0.00 H new ATOM 0 HD2 PRO X 89 78.311 11.001 7.178 1.00 0.00 H new ATOM 0 HD3 PRO X 89 79.021 11.242 8.761 1.00 0.00 H new ATOM 1321 N GLY X 90 77.343 6.090 9.033 1.00 0.00 N ATOM 1322 CA GLY X 90 76.712 4.937 8.455 1.00 0.00 C ATOM 1323 C GLY X 90 75.446 4.570 9.160 1.00 0.00 C ATOM 1324 O GLY X 90 74.701 5.449 9.602 1.00 0.00 O ATOM 0 H GLY X 90 77.881 5.901 9.878 1.00 0.00 H new ATOM 0 HA2 GLY X 90 76.497 5.132 7.404 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.401 4.093 8.488 1.00 0.00 H new ATOM 1328 N PHE X 91 75.230 3.288 9.320 1.00 0.00 N ATOM 1329 CA PHE X 91 73.997 2.790 9.886 1.00 0.00 C ATOM 1330 C PHE X 91 73.995 2.935 11.372 1.00 0.00 C ATOM 1331 O PHE X 91 75.059 2.911 12.022 1.00 0.00 O ATOM 1332 CB PHE X 91 73.791 1.312 9.573 1.00 0.00 C ATOM 1333 CG PHE X 91 73.888 0.947 8.135 1.00 0.00 C ATOM 1334 CD1 PHE X 91 73.353 1.755 7.155 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.530 -0.214 7.762 1.00 0.00 C ATOM 1336 CE1 PHE X 91 73.458 1.408 5.838 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.633 -0.564 6.446 1.00 0.00 C ATOM 1338 CZ PHE X 91 74.098 0.247 5.482 1.00 0.00 C ATOM 0 H PHE X 91 75.899 2.562 9.064 1.00 0.00 H new ATOM 0 HA PHE X 91 73.196 3.380 9.441 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.530 0.734 10.128 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.810 1.013 9.941 1.00 0.00 H new ATOM 0 HD1 PHE X 91 72.847 2.669 7.430 1.00 0.00 H new ATOM 0 HD2 PHE X 91 74.957 -0.855 8.519 1.00 0.00 H new ATOM 0 HE1 PHE X 91 73.037 2.048 5.076 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.135 -1.478 6.167 1.00 0.00 H new ATOM 0 HZ PHE X 91 74.179 -0.027 4.440 1.00 0.00 H new ATOM 1348 N LYS X 92 72.825 3.100 11.909 1.00 0.00 N ATOM 1349 CA LYS X 92 72.648 3.128 13.302 1.00 0.00 C ATOM 1350 C LYS X 92 72.807 1.757 13.863 1.00 0.00 C ATOM 1351 O LYS X 92 72.565 0.753 13.186 1.00 0.00 O ATOM 1352 CB LYS X 92 71.285 3.617 13.675 1.00 0.00 C ATOM 1353 CG LYS X 92 71.356 4.764 14.584 1.00 0.00 C ATOM 1354 CD LYS X 92 69.995 5.246 15.043 1.00 0.00 C ATOM 1355 CE LYS X 92 69.390 4.314 16.083 1.00 0.00 C ATOM 1356 NZ LYS X 92 70.083 4.404 17.383 1.00 0.00 N ATOM 0 H LYS X 92 71.965 3.219 11.373 1.00 0.00 H new ATOM 0 HA LYS X 92 73.399 3.806 13.707 1.00 0.00 H new ATOM 0 HB2 LYS X 92 70.739 3.898 12.774 1.00 0.00 H new ATOM 0 HB3 LYS X 92 70.725 2.811 14.148 1.00 0.00 H new ATOM 0 HG2 LYS X 92 71.951 4.492 15.456 1.00 0.00 H new ATOM 0 HG3 LYS X 92 71.875 5.583 14.086 1.00 0.00 H new ATOM 0 HD2 LYS X 92 70.086 6.248 15.461 1.00 0.00 H new ATOM 0 HD3 LYS X 92 69.326 5.318 14.185 1.00 0.00 H new ATOM 0 HE2 LYS X 92 68.336 4.558 16.217 1.00 0.00 H new ATOM 0 HE3 LYS X 92 69.436 3.288 15.719 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 70.386 3.455 17.681 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 70.916 5.020 17.291 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 69.436 4.800 18.094 1.00 0.00 H new ATOM 1370 N GLN X 93 73.119 1.725 15.114 1.00 0.00 N ATOM 1371 CA GLN X 93 73.345 0.482 15.829 1.00 0.00 C ATOM 1372 C GLN X 93 72.050 -0.090 16.339 1.00 0.00 C ATOM 1373 O GLN X 93 72.003 -1.142 16.974 1.00 0.00 O ATOM 1374 CB GLN X 93 74.281 0.734 16.963 1.00 0.00 C ATOM 1375 CG GLN X 93 73.717 1.640 18.053 1.00 0.00 C ATOM 1376 CD GLN X 93 74.786 2.231 18.938 1.00 0.00 C ATOM 1377 OE1 GLN X 93 74.580 2.429 20.124 1.00 0.00 O ATOM 1378 NE2 GLN X 93 75.897 2.601 18.354 1.00 0.00 N ATOM 0 H GLN X 93 73.229 2.560 15.689 1.00 0.00 H new ATOM 0 HA GLN X 93 73.783 -0.245 15.145 1.00 0.00 H new ATOM 0 HB2 GLN X 93 74.559 -0.221 17.409 1.00 0.00 H new ATOM 0 HB3 GLN X 93 75.195 1.181 16.572 1.00 0.00 H new ATOM 0 HG2 GLN X 93 73.149 2.447 17.590 1.00 0.00 H new ATOM 0 HG3 GLN X 93 73.019 1.070 18.666 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.036 2.419 17.360 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.624 3.071 18.893 1.00 0.00 H new ATOM 1387 N GLY X 94 71.035 0.593 16.034 1.00 0.00 N ATOM 1388 CA GLY X 94 69.729 0.233 16.459 1.00 0.00 C ATOM 1389 C GLY X 94 69.446 0.814 17.808 1.00 0.00 C ATOM 1390 O GLY X 94 70.032 1.864 18.134 1.00 0.00 O ATOM 1391 OXT GLY X 94 68.639 0.249 18.551 1.00 0.00 O ATOM 0 H GLY X 94 71.072 1.441 15.469 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.993 0.591 15.739 1.00 0.00 H new ATOM 0 HA3 GLY X 94 69.637 -0.852 16.496 1.00 0.00 H new