USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 491 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 76:sc= 0.0144 USER MOD Single : A 3 SER OG : rot 44:sc= 0.356 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0459 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 10 MET CE :methyl 147:sc= -0.277 (180deg=-1.23) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0.597 (180deg=0.539) USER MOD Single : A 28 TYR OH : rot 150:sc= 0 USER MOD Single : A 31 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.25 F(o=-2.9!,f=-1.3) USER MOD Single : A 37 MET CE :methyl -172:sc= -7.74! (180deg=-7.86!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0138 K(o=-0.014,f=-0.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.63) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.381 8.873 29.269 1.00 0.00 N ATOM 2 CA GLY A 1 -15.108 7.464 29.054 1.00 0.00 C ATOM 3 C GLY A 1 -16.370 6.660 28.808 1.00 0.00 C ATOM 4 O GLY A 1 -17.131 6.387 29.736 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.487 9.379 29.432 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.853 9.267 28.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.998 8.984 30.098 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.438 7.353 28.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.588 7.061 29.923 1.00 0.00 H new ATOM 8 N SER A 2 -16.593 6.283 27.553 1.00 0.00 N ATOM 9 CA SER A 2 -17.775 5.510 27.186 1.00 0.00 C ATOM 10 C SER A 2 -17.391 4.300 26.340 1.00 0.00 C ATOM 11 O SER A 2 -16.286 4.229 25.803 1.00 0.00 O ATOM 12 CB SER A 2 -18.767 6.389 26.421 1.00 0.00 C ATOM 13 OG SER A 2 -18.125 7.080 25.363 1.00 0.00 O ATOM 0 H SER A 2 -15.972 6.500 26.774 1.00 0.00 H new ATOM 0 HA SER A 2 -18.247 5.155 28.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.572 5.772 26.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.224 7.106 27.103 1.00 0.00 H new ATOM 0 HG SER A 2 -17.957 6.461 24.622 1.00 0.00 H new ATOM 19 N SER A 3 -18.313 3.350 26.226 1.00 0.00 N ATOM 20 CA SER A 3 -18.072 2.140 25.448 1.00 0.00 C ATOM 21 C SER A 3 -18.210 2.418 23.954 1.00 0.00 C ATOM 22 O SER A 3 -19.173 1.990 23.319 1.00 0.00 O ATOM 23 CB SER A 3 -19.047 1.037 25.866 1.00 0.00 C ATOM 24 OG SER A 3 -20.390 1.468 25.735 1.00 0.00 O ATOM 0 H SER A 3 -19.234 3.394 26.662 1.00 0.00 H new ATOM 0 HA SER A 3 -17.053 1.808 25.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.884 0.151 25.252 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.853 0.748 26.899 1.00 0.00 H new ATOM 0 HG SER A 3 -20.498 1.948 24.887 1.00 0.00 H new ATOM 30 N GLY A 4 -17.240 3.138 23.400 1.00 0.00 N ATOM 31 CA GLY A 4 -17.271 3.462 21.986 1.00 0.00 C ATOM 32 C GLY A 4 -17.631 4.912 21.731 1.00 0.00 C ATOM 33 O GLY A 4 -17.249 5.797 22.496 1.00 0.00 O ATOM 0 H GLY A 4 -16.433 3.503 23.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.296 3.250 21.547 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.993 2.818 21.485 1.00 0.00 H new ATOM 37 N SER A 5 -18.365 5.157 20.650 1.00 0.00 N ATOM 38 CA SER A 5 -18.771 6.511 20.293 1.00 0.00 C ATOM 39 C SER A 5 -20.165 6.514 19.671 1.00 0.00 C ATOM 40 O SER A 5 -20.507 5.631 18.884 1.00 0.00 O ATOM 41 CB SER A 5 -17.765 7.127 19.319 1.00 0.00 C ATOM 42 OG SER A 5 -16.445 6.707 19.616 1.00 0.00 O ATOM 0 H SER A 5 -18.690 4.436 20.007 1.00 0.00 H new ATOM 0 HA SER A 5 -18.797 7.108 21.204 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.020 6.841 18.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.824 8.214 19.369 1.00 0.00 H new ATOM 0 HG SER A 5 -15.821 7.113 18.979 1.00 0.00 H new ATOM 48 N SER A 6 -20.964 7.513 20.031 1.00 0.00 N ATOM 49 CA SER A 6 -22.322 7.630 19.512 1.00 0.00 C ATOM 50 C SER A 6 -22.309 8.034 18.041 1.00 0.00 C ATOM 51 O SER A 6 -23.184 7.643 17.271 1.00 0.00 O ATOM 52 CB SER A 6 -23.115 8.654 20.327 1.00 0.00 C ATOM 53 OG SER A 6 -22.291 9.735 20.728 1.00 0.00 O ATOM 0 H SER A 6 -20.695 8.253 20.680 1.00 0.00 H new ATOM 0 HA SER A 6 -22.803 6.656 19.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.949 9.029 19.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.541 8.172 21.207 1.00 0.00 H new ATOM 0 HG SER A 6 -22.821 10.376 21.246 1.00 0.00 H new ATOM 59 N GLY A 7 -21.307 8.821 17.659 1.00 0.00 N ATOM 60 CA GLY A 7 -21.198 9.266 16.282 1.00 0.00 C ATOM 61 C GLY A 7 -20.110 10.304 16.093 1.00 0.00 C ATOM 62 O GLY A 7 -20.050 11.290 16.826 1.00 0.00 O ATOM 0 H GLY A 7 -20.570 9.158 18.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.993 8.408 15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.153 9.682 15.961 1.00 0.00 H new ATOM 66 N ASN A 8 -19.246 10.081 15.108 1.00 0.00 N ATOM 67 CA ASN A 8 -18.153 11.005 14.826 1.00 0.00 C ATOM 68 C ASN A 8 -18.241 11.533 13.397 1.00 0.00 C ATOM 69 O ASN A 8 -18.511 12.712 13.176 1.00 0.00 O ATOM 70 CB ASN A 8 -16.805 10.314 15.044 1.00 0.00 C ATOM 71 CG ASN A 8 -16.539 10.014 16.507 1.00 0.00 C ATOM 72 OD1 ASN A 8 -16.763 8.897 16.973 1.00 0.00 O ATOM 73 ND2 ASN A 8 -16.060 11.013 17.238 1.00 0.00 N ATOM 0 H ASN A 8 -19.281 9.269 14.492 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.237 11.848 15.512 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.780 9.385 14.475 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.008 10.948 14.655 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.862 10.871 18.229 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.890 11.923 16.809 1.00 0.00 H new ATOM 80 N GLY A 9 -18.011 10.649 12.431 1.00 0.00 N ATOM 81 CA GLY A 9 -18.070 11.044 11.035 1.00 0.00 C ATOM 82 C GLY A 9 -17.347 10.070 10.126 1.00 0.00 C ATOM 83 O GLY A 9 -16.195 9.716 10.375 1.00 0.00 O ATOM 0 H GLY A 9 -17.785 9.667 12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.112 11.120 10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.631 12.035 10.922 1.00 0.00 H new ATOM 87 N MET A 10 -18.026 9.635 9.070 1.00 0.00 N ATOM 88 CA MET A 10 -17.440 8.695 8.121 1.00 0.00 C ATOM 89 C MET A 10 -16.872 7.477 8.842 1.00 0.00 C ATOM 90 O MET A 10 -15.782 7.004 8.517 1.00 0.00 O ATOM 91 CB MET A 10 -16.341 9.378 7.305 1.00 0.00 C ATOM 92 CG MET A 10 -16.324 8.965 5.842 1.00 0.00 C ATOM 93 SD MET A 10 -16.567 10.358 4.724 1.00 0.00 S ATOM 94 CE MET A 10 -15.269 11.464 5.273 1.00 0.00 C ATOM 0 H MET A 10 -18.981 9.918 8.850 1.00 0.00 H new ATOM 0 HA MET A 10 -18.228 8.361 7.446 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.472 10.458 7.367 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.373 9.148 7.750 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.372 8.484 5.615 1.00 0.00 H new ATOM 0 HG3 MET A 10 -17.105 8.224 5.669 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.891 12.032 4.423 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.668 12.151 6.019 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.457 10.883 5.711 1.00 0.00 H new ATOM 104 N ASP A 11 -17.616 6.974 9.821 1.00 0.00 N ATOM 105 CA ASP A 11 -17.185 5.810 10.587 1.00 0.00 C ATOM 106 C ASP A 11 -17.488 4.520 9.832 1.00 0.00 C ATOM 107 O ASP A 11 -16.653 3.619 9.766 1.00 0.00 O ATOM 108 CB ASP A 11 -17.874 5.790 11.953 1.00 0.00 C ATOM 109 CG ASP A 11 -17.748 7.112 12.685 1.00 0.00 C ATOM 110 OD1 ASP A 11 -16.673 7.368 13.267 1.00 0.00 O ATOM 111 OD2 ASP A 11 -18.724 7.890 12.675 1.00 0.00 O ATOM 0 H ASP A 11 -18.520 7.354 10.103 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.107 5.879 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.929 5.550 11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.441 4.997 12.563 1.00 0.00 H new ATOM 116 N GLU A 12 -18.688 4.439 9.266 1.00 0.00 N ATOM 117 CA GLU A 12 -19.100 3.257 8.518 1.00 0.00 C ATOM 118 C GLU A 12 -18.111 2.951 7.396 1.00 0.00 C ATOM 119 O GLU A 12 -17.884 1.791 7.056 1.00 0.00 O ATOM 120 CB GLU A 12 -20.501 3.458 7.936 1.00 0.00 C ATOM 121 CG GLU A 12 -20.586 4.594 6.930 1.00 0.00 C ATOM 122 CD GLU A 12 -22.001 4.840 6.446 1.00 0.00 C ATOM 123 OE1 GLU A 12 -22.469 4.081 5.571 1.00 0.00 O ATOM 124 OE2 GLU A 12 -22.641 5.792 6.941 1.00 0.00 O ATOM 0 H GLU A 12 -19.391 5.177 9.311 1.00 0.00 H new ATOM 0 HA GLU A 12 -19.117 2.411 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.821 2.534 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.199 3.652 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.198 5.506 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -19.948 4.366 6.076 1.00 0.00 H new ATOM 131 N GLU A 13 -17.527 4.001 6.827 1.00 0.00 N ATOM 132 CA GLU A 13 -16.564 3.844 5.744 1.00 0.00 C ATOM 133 C GLU A 13 -15.293 3.160 6.240 1.00 0.00 C ATOM 134 O GLU A 13 -14.705 2.338 5.538 1.00 0.00 O ATOM 135 CB GLU A 13 -16.220 5.205 5.136 1.00 0.00 C ATOM 136 CG GLU A 13 -15.430 5.112 3.841 1.00 0.00 C ATOM 137 CD GLU A 13 -16.322 5.074 2.616 1.00 0.00 C ATOM 138 OE1 GLU A 13 -16.723 3.963 2.209 1.00 0.00 O ATOM 139 OE2 GLU A 13 -16.620 6.153 2.064 1.00 0.00 O ATOM 0 H GLU A 13 -17.704 4.968 7.098 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.018 3.216 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.143 5.754 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.646 5.783 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.756 5.965 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.809 4.216 3.862 1.00 0.00 H new ATOM 146 N GLN A 14 -14.878 3.506 7.454 1.00 0.00 N ATOM 147 CA GLN A 14 -13.677 2.927 8.044 1.00 0.00 C ATOM 148 C GLN A 14 -13.738 1.403 8.017 1.00 0.00 C ATOM 149 O GLN A 14 -12.828 0.744 7.513 1.00 0.00 O ATOM 150 CB GLN A 14 -13.502 3.417 9.482 1.00 0.00 C ATOM 151 CG GLN A 14 -13.532 4.931 9.617 1.00 0.00 C ATOM 152 CD GLN A 14 -13.031 5.407 10.965 1.00 0.00 C ATOM 153 OE1 GLN A 14 -13.580 5.048 12.007 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.981 6.221 10.954 1.00 0.00 N ATOM 0 H GLN A 14 -15.355 4.184 8.048 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.820 3.249 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.291 2.990 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.554 3.045 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.922 5.374 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.552 5.285 9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.556 6.494 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.600 6.573 11.832 1.00 0.00 H new ATOM 163 N ARG A 15 -14.815 0.850 8.564 1.00 0.00 N ATOM 164 CA ARG A 15 -14.994 -0.597 8.605 1.00 0.00 C ATOM 165 C ARG A 15 -14.817 -1.206 7.217 1.00 0.00 C ATOM 166 O ARG A 15 -14.097 -2.189 7.047 1.00 0.00 O ATOM 167 CB ARG A 15 -16.378 -0.946 9.154 1.00 0.00 C ATOM 168 CG ARG A 15 -16.616 -0.446 10.570 1.00 0.00 C ATOM 169 CD ARG A 15 -18.100 -0.368 10.891 1.00 0.00 C ATOM 170 NE ARG A 15 -18.352 -0.424 12.329 1.00 0.00 N ATOM 171 CZ ARG A 15 -19.553 -0.253 12.871 1.00 0.00 C ATOM 172 NH1 ARG A 15 -20.605 -0.018 12.100 1.00 0.00 N ATOM 173 NH2 ARG A 15 -19.702 -0.319 14.188 1.00 0.00 N ATOM 0 H ARG A 15 -15.577 1.381 8.985 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.233 -1.013 9.266 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.138 -0.524 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.505 -2.028 9.134 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.124 -1.111 11.279 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.164 0.539 10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.510 0.557 10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.621 -1.189 10.399 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.563 -0.604 12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.494 0.032 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.526 0.113 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.895 -0.501 14.784 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.624 -0.188 14.604 1.00 0.00 H new ATOM 187 N GLN A 16 -15.480 -0.614 6.228 1.00 0.00 N ATOM 188 CA GLN A 16 -15.397 -1.099 4.856 1.00 0.00 C ATOM 189 C GLN A 16 -13.969 -1.002 4.329 1.00 0.00 C ATOM 190 O GLN A 16 -13.532 -1.831 3.531 1.00 0.00 O ATOM 191 CB GLN A 16 -16.341 -0.304 3.953 1.00 0.00 C ATOM 192 CG GLN A 16 -17.781 -0.789 4.000 1.00 0.00 C ATOM 193 CD GLN A 16 -18.559 -0.432 2.748 1.00 0.00 C ATOM 194 OE1 GLN A 16 -18.823 0.741 2.481 1.00 0.00 O ATOM 195 NE2 GLN A 16 -18.930 -1.444 1.973 1.00 0.00 N ATOM 0 H GLN A 16 -16.080 0.202 6.352 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.697 -2.147 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.310 0.746 4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.981 -0.360 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.792 -1.871 4.134 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.278 -0.356 4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.689 -2.400 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.456 -1.265 1.117 1.00 0.00 H new ATOM 204 N LYS A 17 -13.245 0.016 4.782 1.00 0.00 N ATOM 205 CA LYS A 17 -11.866 0.223 4.358 1.00 0.00 C ATOM 206 C LYS A 17 -10.931 -0.764 5.049 1.00 0.00 C ATOM 207 O LYS A 17 -9.890 -1.134 4.504 1.00 0.00 O ATOM 208 CB LYS A 17 -11.426 1.657 4.662 1.00 0.00 C ATOM 209 CG LYS A 17 -11.963 2.680 3.676 1.00 0.00 C ATOM 210 CD LYS A 17 -12.233 4.015 4.350 1.00 0.00 C ATOM 211 CE LYS A 17 -10.943 4.768 4.631 1.00 0.00 C ATOM 212 NZ LYS A 17 -11.202 6.157 5.102 1.00 0.00 N ATOM 0 H LYS A 17 -13.591 0.711 5.443 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.814 0.054 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.756 1.924 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.337 1.702 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.246 2.818 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.883 2.306 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.878 4.621 3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.770 3.850 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.366 4.231 5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.336 4.799 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.312 6.585 5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.593 6.721 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.883 6.136 5.888 1.00 0.00 H new ATOM 226 N ARG A 18 -11.308 -1.188 6.250 1.00 0.00 N ATOM 227 CA ARG A 18 -10.503 -2.133 7.015 1.00 0.00 C ATOM 228 C ARG A 18 -10.389 -3.467 6.284 1.00 0.00 C ATOM 229 O ARG A 18 -9.313 -4.062 6.221 1.00 0.00 O ATOM 230 CB ARG A 18 -11.113 -2.350 8.402 1.00 0.00 C ATOM 231 CG ARG A 18 -10.895 -1.183 9.352 1.00 0.00 C ATOM 232 CD ARG A 18 -9.416 -0.945 9.612 1.00 0.00 C ATOM 233 NE ARG A 18 -8.713 -2.181 9.945 1.00 0.00 N ATOM 234 CZ ARG A 18 -8.826 -2.799 11.115 1.00 0.00 C ATOM 235 NH1 ARG A 18 -9.612 -2.299 12.059 1.00 0.00 N ATOM 236 NH2 ARG A 18 -8.154 -3.920 11.343 1.00 0.00 N ATOM 0 H ARG A 18 -12.166 -0.892 6.715 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.503 -1.713 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.183 -2.526 8.296 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.684 -3.251 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.341 -0.282 8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.404 -1.380 10.295 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.961 -0.495 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.302 -0.232 10.428 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.101 -2.592 9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.131 -1.438 11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.697 -2.775 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.549 -4.308 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.242 -4.393 12.242 1.00 0.00 H new ATOM 250 N ARG A 19 -11.506 -3.932 5.734 1.00 0.00 N ATOM 251 CA ARG A 19 -11.532 -5.196 5.008 1.00 0.00 C ATOM 252 C ARG A 19 -10.462 -5.221 3.921 1.00 0.00 C ATOM 253 O ARG A 19 -9.754 -6.215 3.756 1.00 0.00 O ATOM 254 CB ARG A 19 -12.911 -5.424 4.386 1.00 0.00 C ATOM 255 CG ARG A 19 -14.004 -5.689 5.409 1.00 0.00 C ATOM 256 CD ARG A 19 -13.970 -7.128 5.900 1.00 0.00 C ATOM 257 NE ARG A 19 -15.010 -7.394 6.890 1.00 0.00 N ATOM 258 CZ ARG A 19 -14.957 -6.963 8.145 1.00 0.00 C ATOM 259 NH1 ARG A 19 -13.920 -6.249 8.561 1.00 0.00 N ATOM 260 NH2 ARG A 19 -15.943 -7.245 8.987 1.00 0.00 N ATOM 0 H ARG A 19 -12.405 -3.452 5.777 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.324 -5.997 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.183 -4.550 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.855 -6.269 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.884 -5.012 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.977 -5.477 4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.095 -7.803 5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.993 -7.339 6.335 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.821 -7.941 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.160 -6.030 7.917 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.882 -5.919 9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.743 -7.793 8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.901 -6.913 9.951 1.00 0.00 H new ATOM 274 N ARG A 20 -10.350 -4.122 3.182 1.00 0.00 N ATOM 275 CA ARG A 20 -9.368 -4.019 2.110 1.00 0.00 C ATOM 276 C ARG A 20 -7.956 -4.251 2.642 1.00 0.00 C ATOM 277 O ARG A 20 -7.066 -4.674 1.903 1.00 0.00 O ATOM 278 CB ARG A 20 -9.453 -2.646 1.441 1.00 0.00 C ATOM 279 CG ARG A 20 -10.817 -2.345 0.841 1.00 0.00 C ATOM 280 CD ARG A 20 -10.861 -0.952 0.231 1.00 0.00 C ATOM 281 NE ARG A 20 -12.099 -0.718 -0.508 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.311 0.352 -1.266 1.00 0.00 C ATOM 283 NH1 ARG A 20 -11.373 1.282 -1.383 1.00 0.00 N ATOM 284 NH2 ARG A 20 -13.464 0.494 -1.908 1.00 0.00 N ATOM 0 H ARG A 20 -10.927 -3.290 3.306 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.591 -4.789 1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.211 -1.878 2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.699 -2.586 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.051 -3.086 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.582 -2.430 1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.764 -0.207 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.010 -0.822 -0.437 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.841 -1.414 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.486 1.177 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.538 2.103 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.188 -0.219 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.626 1.316 -2.490 1.00 0.00 H new ATOM 298 N ILE A 21 -7.760 -3.971 3.926 1.00 0.00 N ATOM 299 CA ILE A 21 -6.458 -4.150 4.555 1.00 0.00 C ATOM 300 C ILE A 21 -6.212 -5.614 4.905 1.00 0.00 C ATOM 301 O ILE A 21 -5.132 -6.148 4.656 1.00 0.00 O ATOM 302 CB ILE A 21 -6.329 -3.300 5.833 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.653 -1.835 5.533 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.930 -3.430 6.417 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.644 -0.950 6.760 1.00 0.00 C ATOM 0 H ILE A 21 -8.486 -3.620 4.550 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.711 -3.822 3.832 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.044 -3.667 6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.930 -1.452 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.634 -1.778 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.855 -2.824 7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.734 -4.474 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.197 -3.086 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.882 0.074 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.387 -1.308 7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.657 -0.977 7.221 1.00 0.00 H new ATOM 317 N GLU A 22 -7.223 -6.256 5.482 1.00 0.00 N ATOM 318 CA GLU A 22 -7.116 -7.659 5.864 1.00 0.00 C ATOM 319 C GLU A 22 -6.760 -8.526 4.660 1.00 0.00 C ATOM 320 O GLU A 22 -5.686 -9.127 4.609 1.00 0.00 O ATOM 321 CB GLU A 22 -8.429 -8.143 6.484 1.00 0.00 C ATOM 322 CG GLU A 22 -8.735 -7.511 7.831 1.00 0.00 C ATOM 323 CD GLU A 22 -8.098 -8.260 8.985 1.00 0.00 C ATOM 324 OE1 GLU A 22 -8.250 -9.498 9.046 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.446 -7.608 9.828 1.00 0.00 O ATOM 0 H GLU A 22 -8.124 -5.828 5.695 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.319 -7.748 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.247 -7.927 5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.388 -9.226 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.382 -6.480 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.815 -7.478 7.976 1.00 0.00 H new ATOM 332 N VAL A 23 -7.668 -8.586 3.692 1.00 0.00 N ATOM 333 CA VAL A 23 -7.451 -9.378 2.487 1.00 0.00 C ATOM 334 C VAL A 23 -6.111 -9.043 1.843 1.00 0.00 C ATOM 335 O VAL A 23 -5.381 -9.931 1.404 1.00 0.00 O ATOM 336 CB VAL A 23 -8.574 -9.153 1.457 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.315 -9.968 0.199 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.926 -9.502 2.059 1.00 0.00 C ATOM 0 H VAL A 23 -8.562 -8.095 3.718 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.453 -10.424 2.792 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.586 -8.098 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.118 -9.797 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.365 -9.665 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.276 -11.027 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.708 -9.337 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.929 -10.549 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.111 -8.871 2.928 1.00 0.00 H new ATOM 348 N ALA A 24 -5.792 -7.753 1.790 1.00 0.00 N ATOM 349 CA ALA A 24 -4.538 -7.300 1.202 1.00 0.00 C ATOM 350 C ALA A 24 -3.341 -7.864 1.959 1.00 0.00 C ATOM 351 O ALA A 24 -2.394 -8.370 1.356 1.00 0.00 O ATOM 352 CB ALA A 24 -4.484 -5.779 1.182 1.00 0.00 C ATOM 0 H ALA A 24 -6.385 -7.004 2.147 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.492 -7.668 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.542 -5.454 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.314 -5.393 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.557 -5.399 2.201 1.00 0.00 H new ATOM 358 N LEU A 25 -3.389 -7.773 3.284 1.00 0.00 N ATOM 359 CA LEU A 25 -2.307 -8.274 4.125 1.00 0.00 C ATOM 360 C LEU A 25 -2.079 -9.763 3.888 1.00 0.00 C ATOM 361 O LEU A 25 -0.967 -10.188 3.570 1.00 0.00 O ATOM 362 CB LEU A 25 -2.624 -8.023 5.600 1.00 0.00 C ATOM 363 CG LEU A 25 -2.138 -6.692 6.174 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.568 -6.547 7.625 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.625 -6.577 6.050 1.00 0.00 C ATOM 0 H LEU A 25 -4.165 -7.357 3.799 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.395 -7.739 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.704 -8.081 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.187 -8.830 6.187 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.592 -5.884 5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.213 -5.594 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.656 -6.582 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.144 -7.361 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.297 -5.623 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.152 -7.392 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.341 -6.633 4.999 1.00 0.00 H new ATOM 377 N ILE A 26 -3.137 -10.551 4.042 1.00 0.00 N ATOM 378 CA ILE A 26 -3.052 -11.992 3.842 1.00 0.00 C ATOM 379 C ILE A 26 -2.459 -12.323 2.477 1.00 0.00 C ATOM 380 O ILE A 26 -1.462 -13.037 2.380 1.00 0.00 O ATOM 381 CB ILE A 26 -4.435 -12.660 3.964 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.042 -12.377 5.340 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.322 -14.159 3.727 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.462 -11.859 5.278 1.00 0.00 C ATOM 0 H ILE A 26 -4.064 -10.216 4.305 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.399 -12.381 4.623 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.094 -12.240 3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.023 -13.292 5.932 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.420 -11.648 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.307 -14.617 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.927 -14.341 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.651 -14.595 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.829 -11.680 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.485 -10.927 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.097 -12.596 4.787 1.00 0.00 H new ATOM 396 N GLU A 27 -3.079 -11.798 1.425 1.00 0.00 N ATOM 397 CA GLU A 27 -2.611 -12.038 0.065 1.00 0.00 C ATOM 398 C GLU A 27 -1.124 -11.720 -0.063 1.00 0.00 C ATOM 399 O GLU A 27 -0.363 -12.486 -0.653 1.00 0.00 O ATOM 400 CB GLU A 27 -3.412 -11.194 -0.930 1.00 0.00 C ATOM 401 CG GLU A 27 -4.812 -11.723 -1.188 1.00 0.00 C ATOM 402 CD GLU A 27 -4.845 -12.783 -2.272 1.00 0.00 C ATOM 403 OE1 GLU A 27 -4.574 -12.443 -3.443 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.142 -13.952 -1.949 1.00 0.00 O ATOM 0 H GLU A 27 -3.906 -11.204 1.488 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.760 -13.094 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.482 -10.173 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.870 -11.149 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.214 -12.140 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.462 -10.896 -1.474 1.00 0.00 H new ATOM 411 N TYR A 28 -0.718 -10.584 0.494 1.00 0.00 N ATOM 412 CA TYR A 28 0.676 -10.162 0.440 1.00 0.00 C ATOM 413 C TYR A 28 1.580 -11.182 1.125 1.00 0.00 C ATOM 414 O TYR A 28 2.575 -11.629 0.554 1.00 0.00 O ATOM 415 CB TYR A 28 0.842 -8.792 1.100 1.00 0.00 C ATOM 416 CG TYR A 28 2.109 -8.074 0.694 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.483 -7.985 -0.642 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.931 -7.482 1.645 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.639 -7.330 -1.017 1.00 0.00 C ATOM 420 CE2 TYR A 28 4.089 -6.824 1.278 1.00 0.00 C ATOM 421 CZ TYR A 28 4.439 -6.751 -0.054 1.00 0.00 C ATOM 422 OH TYR A 28 5.592 -6.097 -0.425 1.00 0.00 O ATOM 0 H TYR A 28 -1.335 -9.939 0.988 1.00 0.00 H new ATOM 0 HA TYR A 28 0.968 -10.090 -0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.016 -8.169 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.836 -8.917 2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.859 -8.436 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.660 -7.537 2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.916 -7.271 -2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.717 -6.369 2.030 1.00 0.00 H new ATOM 0 HH TYR A 28 5.779 -5.377 0.213 1.00 0.00 H new ATOM 432 N ARG A 29 1.226 -11.547 2.353 1.00 0.00 N ATOM 433 CA ARG A 29 2.005 -12.513 3.118 1.00 0.00 C ATOM 434 C ARG A 29 2.245 -13.782 2.305 1.00 0.00 C ATOM 435 O ARG A 29 3.384 -14.220 2.143 1.00 0.00 O ATOM 436 CB ARG A 29 1.288 -12.859 4.424 1.00 0.00 C ATOM 437 CG ARG A 29 2.232 -13.158 5.577 1.00 0.00 C ATOM 438 CD ARG A 29 1.469 -13.504 6.846 1.00 0.00 C ATOM 439 NE ARG A 29 2.351 -14.019 7.891 1.00 0.00 N ATOM 440 CZ ARG A 29 1.955 -14.250 9.138 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.700 -14.014 9.493 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.816 -14.720 10.032 1.00 0.00 N ATOM 0 H ARG A 29 0.404 -11.188 2.839 1.00 0.00 H new ATOM 0 HA ARG A 29 2.970 -12.062 3.350 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.639 -12.029 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.646 -13.724 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.887 -13.987 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.871 -12.294 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.953 -12.617 7.212 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.704 -14.247 6.618 1.00 0.00 H new ATOM 0 HE ARG A 29 3.323 -14.212 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.035 -13.654 8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.399 -14.192 10.451 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.782 -14.904 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.512 -14.897 10.989 1.00 0.00 H new ATOM 456 N GLU A 30 1.165 -14.368 1.798 1.00 0.00 N ATOM 457 CA GLU A 30 1.259 -15.587 1.004 1.00 0.00 C ATOM 458 C GLU A 30 2.189 -15.388 -0.190 1.00 0.00 C ATOM 459 O GLU A 30 3.092 -16.191 -0.429 1.00 0.00 O ATOM 460 CB GLU A 30 -0.128 -16.014 0.519 1.00 0.00 C ATOM 461 CG GLU A 30 -1.079 -16.386 1.644 1.00 0.00 C ATOM 462 CD GLU A 30 -0.865 -17.801 2.146 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.038 -17.987 3.062 1.00 0.00 O ATOM 464 OE2 GLU A 30 -1.525 -18.722 1.621 1.00 0.00 O ATOM 0 H GLU A 30 0.215 -14.018 1.923 1.00 0.00 H new ATOM 0 HA GLU A 30 1.672 -16.372 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.566 -15.202 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.022 -16.866 -0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.948 -15.688 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.106 -16.280 1.296 1.00 0.00 H new ATOM 471 N THR A 31 1.961 -14.313 -0.937 1.00 0.00 N ATOM 472 CA THR A 31 2.776 -14.009 -2.107 1.00 0.00 C ATOM 473 C THR A 31 4.248 -13.881 -1.733 1.00 0.00 C ATOM 474 O THR A 31 5.129 -14.291 -2.490 1.00 0.00 O ATOM 475 CB THR A 31 2.316 -12.706 -2.788 1.00 0.00 C ATOM 476 OG1 THR A 31 0.909 -12.759 -3.049 1.00 0.00 O ATOM 477 CG2 THR A 31 3.070 -12.481 -4.090 1.00 0.00 C ATOM 0 H THR A 31 1.219 -13.638 -0.753 1.00 0.00 H new ATOM 0 HA THR A 31 2.652 -14.838 -2.803 1.00 0.00 H new ATOM 0 HB THR A 31 2.529 -11.876 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.416 -12.523 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.728 -11.555 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.138 -12.411 -3.884 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.884 -13.315 -4.767 1.00 0.00 H new ATOM 485 N LEU A 32 4.509 -13.312 -0.562 1.00 0.00 N ATOM 486 CA LEU A 32 5.877 -13.131 -0.087 1.00 0.00 C ATOM 487 C LEU A 32 6.548 -14.477 0.164 1.00 0.00 C ATOM 488 O LEU A 32 7.648 -14.733 -0.326 1.00 0.00 O ATOM 489 CB LEU A 32 5.886 -12.297 1.195 1.00 0.00 C ATOM 490 CG LEU A 32 5.636 -10.798 1.023 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.667 -10.093 2.371 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.662 -10.191 0.078 1.00 0.00 C ATOM 0 H LEU A 32 3.792 -12.968 0.077 1.00 0.00 H new ATOM 0 HA LEU A 32 6.438 -12.605 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.129 -12.696 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.851 -12.430 1.684 1.00 0.00 H new ATOM 0 HG LEU A 32 4.646 -10.662 0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.487 -9.027 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.893 -10.508 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.643 -10.237 2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.469 -9.124 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.663 -10.338 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.591 -10.675 -0.896 1.00 0.00 H new ATOM 504 N GLU A 33 5.878 -15.334 0.928 1.00 0.00 N ATOM 505 CA GLU A 33 6.411 -16.654 1.242 1.00 0.00 C ATOM 506 C GLU A 33 6.672 -17.453 -0.032 1.00 0.00 C ATOM 507 O GLU A 33 7.672 -18.161 -0.138 1.00 0.00 O ATOM 508 CB GLU A 33 5.441 -17.419 2.146 1.00 0.00 C ATOM 509 CG GLU A 33 5.451 -16.943 3.589 1.00 0.00 C ATOM 510 CD GLU A 33 6.615 -17.506 4.381 1.00 0.00 C ATOM 511 OE1 GLU A 33 7.485 -18.162 3.772 1.00 0.00 O ATOM 512 OE2 GLU A 33 6.655 -17.289 5.610 1.00 0.00 O ATOM 0 H GLU A 33 4.966 -15.138 1.340 1.00 0.00 H new ATOM 0 HA GLU A 33 7.357 -16.520 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.431 -17.321 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.693 -18.479 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.496 -15.854 3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.516 -17.232 4.069 1.00 0.00 H new ATOM 519 N GLU A 34 5.764 -17.332 -0.996 1.00 0.00 N ATOM 520 CA GLU A 34 5.896 -18.043 -2.262 1.00 0.00 C ATOM 521 C GLU A 34 6.928 -17.367 -3.161 1.00 0.00 C ATOM 522 O GLU A 34 7.512 -18.003 -4.038 1.00 0.00 O ATOM 523 CB GLU A 34 4.545 -18.109 -2.978 1.00 0.00 C ATOM 524 CG GLU A 34 3.614 -19.174 -2.425 1.00 0.00 C ATOM 525 CD GLU A 34 3.781 -20.512 -3.119 1.00 0.00 C ATOM 526 OE1 GLU A 34 4.065 -20.519 -4.335 1.00 0.00 O ATOM 527 OE2 GLU A 34 3.627 -21.552 -2.445 1.00 0.00 O ATOM 0 H GLU A 34 4.930 -16.749 -0.924 1.00 0.00 H new ATOM 0 HA GLU A 34 6.235 -19.056 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.056 -17.137 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.714 -18.301 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.801 -19.296 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.582 -18.840 -2.531 1.00 0.00 H new ATOM 534 N GLN A 35 7.146 -16.076 -2.935 1.00 0.00 N ATOM 535 CA GLN A 35 8.106 -15.314 -3.725 1.00 0.00 C ATOM 536 C GLN A 35 9.536 -15.651 -3.316 1.00 0.00 C ATOM 537 O GLN A 35 10.495 -15.189 -3.934 1.00 0.00 O ATOM 538 CB GLN A 35 7.857 -13.814 -3.561 1.00 0.00 C ATOM 539 CG GLN A 35 6.929 -13.233 -4.616 1.00 0.00 C ATOM 540 CD GLN A 35 6.690 -11.748 -4.429 1.00 0.00 C ATOM 541 OE1 GLN A 35 6.024 -11.388 -3.339 1.00 0.00 O flip ATOM 542 NE2 GLN A 35 7.100 -10.932 -5.256 1.00 0.00 N flip ATOM 0 H GLN A 35 6.671 -15.536 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 35 7.973 -15.585 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.432 -13.630 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.812 -13.289 -3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.355 -13.407 -5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.974 -13.758 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.608 -11.253 -6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.932 -9.936 -5.116 1.00 0.00 H new ATOM 551 N GLY A 36 9.673 -16.461 -2.270 1.00 0.00 N ATOM 552 CA GLY A 36 10.990 -16.845 -1.796 1.00 0.00 C ATOM 553 C GLY A 36 11.262 -16.363 -0.385 1.00 0.00 C ATOM 554 O GLY A 36 12.194 -16.831 0.269 1.00 0.00 O ATOM 0 H GLY A 36 8.895 -16.858 -1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.083 -17.931 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.747 -16.439 -2.467 1.00 0.00 H new ATOM 558 N MET A 37 10.449 -15.422 0.084 1.00 0.00 N ATOM 559 CA MET A 37 10.608 -14.876 1.427 1.00 0.00 C ATOM 560 C MET A 37 10.499 -15.975 2.478 1.00 0.00 C ATOM 561 O MET A 37 9.405 -16.453 2.780 1.00 0.00 O ATOM 562 CB MET A 37 9.556 -13.797 1.689 1.00 0.00 C ATOM 563 CG MET A 37 9.533 -12.701 0.636 1.00 0.00 C ATOM 564 SD MET A 37 10.772 -11.425 0.936 1.00 0.00 S ATOM 565 CE MET A 37 9.961 -10.457 2.206 1.00 0.00 C ATOM 0 H MET A 37 9.674 -15.022 -0.445 1.00 0.00 H new ATOM 0 HA MET A 37 11.600 -14.430 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.572 -14.264 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.743 -13.348 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.702 -13.142 -0.346 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.544 -12.244 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.537 -9.551 2.397 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.959 -10.187 1.873 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.893 -11.043 3.122 1.00 0.00 H new ATOM 575 N LYS A 38 11.639 -16.373 3.032 1.00 0.00 N ATOM 576 CA LYS A 38 11.672 -17.416 4.050 1.00 0.00 C ATOM 577 C LYS A 38 12.131 -16.853 5.392 1.00 0.00 C ATOM 578 O LYS A 38 12.046 -17.524 6.419 1.00 0.00 O ATOM 579 CB LYS A 38 12.603 -18.551 3.617 1.00 0.00 C ATOM 580 CG LYS A 38 12.086 -19.342 2.428 1.00 0.00 C ATOM 581 CD LYS A 38 12.585 -20.777 2.453 1.00 0.00 C ATOM 582 CE LYS A 38 11.709 -21.657 3.331 1.00 0.00 C ATOM 583 NZ LYS A 38 12.385 -22.936 3.685 1.00 0.00 N ATOM 0 H LYS A 38 12.553 -15.989 2.793 1.00 0.00 H new ATOM 0 HA LYS A 38 10.661 -17.807 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.579 -18.134 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.751 -19.229 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.996 -19.335 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.405 -18.861 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.601 -21.175 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.611 -20.800 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.451 -21.118 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.775 -21.872 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.755 -23.507 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.608 -23.463 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.264 -22.732 4.202 1.00 0.00 H new ATOM 597 N ASN A 39 12.616 -15.615 5.374 1.00 0.00 N ATOM 598 CA ASN A 39 13.086 -14.961 6.589 1.00 0.00 C ATOM 599 C ASN A 39 11.970 -14.147 7.236 1.00 0.00 C ATOM 600 O ASN A 39 11.084 -13.618 6.565 1.00 0.00 O ATOM 601 CB ASN A 39 14.279 -14.055 6.276 1.00 0.00 C ATOM 602 CG ASN A 39 15.604 -14.783 6.389 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.655 -16.012 6.350 1.00 0.00 O ATOM 604 ND2 ASN A 39 16.685 -14.025 6.530 1.00 0.00 N ATOM 0 H ASN A 39 12.693 -15.045 4.531 1.00 0.00 H new ATOM 0 HA ASN A 39 13.400 -15.734 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.173 -13.654 5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 39 14.275 -13.205 6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 39 17.605 -14.458 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.596 -13.009 6.557 1.00 0.00 H new ATOM 611 N PRO A 40 12.013 -14.042 8.573 1.00 0.00 N ATOM 612 CA PRO A 40 11.013 -13.293 9.340 1.00 0.00 C ATOM 613 C PRO A 40 11.123 -11.788 9.121 1.00 0.00 C ATOM 614 O PRO A 40 10.127 -11.118 8.852 1.00 0.00 O ATOM 615 CB PRO A 40 11.343 -13.648 10.793 1.00 0.00 C ATOM 616 CG PRO A 40 12.788 -14.009 10.776 1.00 0.00 C ATOM 617 CD PRO A 40 13.040 -14.647 9.438 1.00 0.00 C ATOM 0 HA PRO A 40 9.996 -13.549 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.153 -12.806 11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.732 -14.478 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.412 -13.126 10.911 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.028 -14.696 11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.046 -14.436 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.939 -15.731 9.484 1.00 0.00 H new ATOM 625 N GLU A 41 12.339 -11.265 9.237 1.00 0.00 N ATOM 626 CA GLU A 41 12.577 -9.838 9.052 1.00 0.00 C ATOM 627 C GLU A 41 12.100 -9.381 7.676 1.00 0.00 C ATOM 628 O GLU A 41 11.451 -8.344 7.546 1.00 0.00 O ATOM 629 CB GLU A 41 14.064 -9.520 9.219 1.00 0.00 C ATOM 630 CG GLU A 41 14.969 -10.352 8.327 1.00 0.00 C ATOM 631 CD GLU A 41 16.440 -10.151 8.636 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.819 -10.271 9.819 1.00 0.00 O ATOM 633 OE2 GLU A 41 17.211 -9.873 7.694 1.00 0.00 O ATOM 0 H GLU A 41 13.174 -11.807 9.458 1.00 0.00 H new ATOM 0 HA GLU A 41 12.010 -9.300 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.227 -8.464 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.346 -9.681 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.718 -11.406 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.782 -10.094 7.285 1.00 0.00 H new ATOM 640 N GLU A 42 12.427 -10.164 6.653 1.00 0.00 N ATOM 641 CA GLU A 42 12.033 -9.840 5.287 1.00 0.00 C ATOM 642 C GLU A 42 10.519 -9.687 5.179 1.00 0.00 C ATOM 643 O GLU A 42 10.018 -8.642 4.763 1.00 0.00 O ATOM 644 CB GLU A 42 12.518 -10.923 4.321 1.00 0.00 C ATOM 645 CG GLU A 42 13.199 -10.372 3.080 1.00 0.00 C ATOM 646 CD GLU A 42 13.809 -11.460 2.218 1.00 0.00 C ATOM 647 OE1 GLU A 42 13.964 -12.594 2.716 1.00 0.00 O ATOM 648 OE2 GLU A 42 14.133 -11.176 1.045 1.00 0.00 O ATOM 0 H GLU A 42 12.963 -11.027 6.744 1.00 0.00 H new ATOM 0 HA GLU A 42 12.497 -8.891 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.212 -11.580 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.668 -11.534 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.474 -9.811 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.978 -9.671 3.379 1.00 0.00 H new ATOM 655 N ILE A 43 9.796 -10.737 5.555 1.00 0.00 N ATOM 656 CA ILE A 43 8.340 -10.720 5.501 1.00 0.00 C ATOM 657 C ILE A 43 7.769 -9.620 6.389 1.00 0.00 C ATOM 658 O ILE A 43 7.022 -8.760 5.925 1.00 0.00 O ATOM 659 CB ILE A 43 7.745 -12.074 5.933 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.261 -13.195 5.028 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.225 -12.018 5.901 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.692 -14.555 5.366 1.00 0.00 C ATOM 0 H ILE A 43 10.195 -11.610 5.900 1.00 0.00 H new ATOM 0 HA ILE A 43 8.065 -10.525 4.464 1.00 0.00 H new ATOM 0 HB ILE A 43 8.061 -12.284 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.018 -12.956 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.348 -13.237 5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.819 -12.982 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.875 -11.243 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.891 -11.790 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.102 -15.300 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.957 -14.816 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.607 -14.530 5.267 1.00 0.00 H new ATOM 674 N GLU A 44 8.129 -9.654 7.669 1.00 0.00 N ATOM 675 CA GLU A 44 7.654 -8.658 8.622 1.00 0.00 C ATOM 676 C GLU A 44 7.907 -7.245 8.104 1.00 0.00 C ATOM 677 O GLU A 44 7.107 -6.337 8.333 1.00 0.00 O ATOM 678 CB GLU A 44 8.340 -8.848 9.976 1.00 0.00 C ATOM 679 CG GLU A 44 7.815 -10.037 10.763 1.00 0.00 C ATOM 680 CD GLU A 44 8.736 -10.437 11.899 1.00 0.00 C ATOM 681 OE1 GLU A 44 9.729 -9.720 12.139 1.00 0.00 O ATOM 682 OE2 GLU A 44 8.463 -11.469 12.548 1.00 0.00 O ATOM 0 H GLU A 44 8.747 -10.360 8.069 1.00 0.00 H new ATOM 0 HA GLU A 44 6.580 -8.794 8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.411 -8.973 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.209 -7.944 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.831 -9.796 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.685 -10.885 10.090 1.00 0.00 H new ATOM 689 N ARG A 45 9.024 -7.068 7.407 1.00 0.00 N ATOM 690 CA ARG A 45 9.384 -5.766 6.859 1.00 0.00 C ATOM 691 C ARG A 45 8.415 -5.354 5.754 1.00 0.00 C ATOM 692 O ARG A 45 7.735 -4.334 5.859 1.00 0.00 O ATOM 693 CB ARG A 45 10.813 -5.796 6.314 1.00 0.00 C ATOM 694 CG ARG A 45 11.272 -4.468 5.734 1.00 0.00 C ATOM 695 CD ARG A 45 12.788 -4.397 5.636 1.00 0.00 C ATOM 696 NE ARG A 45 13.236 -3.178 4.969 1.00 0.00 N ATOM 697 CZ ARG A 45 13.123 -2.971 3.661 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.578 -3.898 2.886 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.555 -1.836 3.128 1.00 0.00 N ATOM 0 H ARG A 45 9.695 -7.810 7.208 1.00 0.00 H new ATOM 0 HA ARG A 45 9.324 -5.032 7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.492 -6.087 7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.883 -6.563 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.836 -4.332 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.908 -3.652 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.219 -4.442 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.157 -5.265 5.091 1.00 0.00 H new ATOM 0 HE ARG A 45 13.659 -2.445 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.245 -4.772 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.492 -3.738 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.975 -1.121 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.468 -1.678 2.124 1.00 0.00 H new ATOM 713 N LYS A 46 8.358 -6.155 4.696 1.00 0.00 N ATOM 714 CA LYS A 46 7.473 -5.876 3.571 1.00 0.00 C ATOM 715 C LYS A 46 6.034 -5.696 4.044 1.00 0.00 C ATOM 716 O LYS A 46 5.385 -4.700 3.723 1.00 0.00 O ATOM 717 CB LYS A 46 7.546 -7.009 2.545 1.00 0.00 C ATOM 718 CG LYS A 46 8.903 -7.138 1.876 1.00 0.00 C ATOM 719 CD LYS A 46 8.782 -7.711 0.474 1.00 0.00 C ATOM 720 CE LYS A 46 9.912 -7.232 -0.424 1.00 0.00 C ATOM 721 NZ LYS A 46 9.664 -7.565 -1.854 1.00 0.00 N ATOM 0 H LYS A 46 8.915 -7.004 4.594 1.00 0.00 H new ATOM 0 HA LYS A 46 7.802 -4.949 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.302 -7.950 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.787 -6.844 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.381 -6.160 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.547 -7.780 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.792 -8.800 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.824 -7.420 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.028 -6.153 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.849 -7.687 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.457 -7.222 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.578 -8.596 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.783 -7.110 -2.169 1.00 0.00 H new ATOM 735 N VAL A 47 5.541 -6.665 4.808 1.00 0.00 N ATOM 736 CA VAL A 47 4.179 -6.611 5.327 1.00 0.00 C ATOM 737 C VAL A 47 3.943 -5.330 6.119 1.00 0.00 C ATOM 738 O VAL A 47 2.982 -4.603 5.869 1.00 0.00 O ATOM 739 CB VAL A 47 3.874 -7.822 6.228 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.466 -7.724 6.797 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.055 -9.120 5.455 1.00 0.00 C ATOM 0 H VAL A 47 6.064 -7.497 5.082 1.00 0.00 H new ATOM 0 HA VAL A 47 3.511 -6.630 4.466 1.00 0.00 H new ATOM 0 HB VAL A 47 4.578 -7.819 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.269 -8.588 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.375 -6.812 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.744 -7.701 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.835 -9.965 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.376 -9.133 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.083 -9.192 5.101 1.00 0.00 H new ATOM 751 N GLU A 48 4.827 -5.060 7.074 1.00 0.00 N ATOM 752 CA GLU A 48 4.713 -3.866 7.903 1.00 0.00 C ATOM 753 C GLU A 48 4.566 -2.616 7.040 1.00 0.00 C ATOM 754 O GLU A 48 3.710 -1.768 7.298 1.00 0.00 O ATOM 755 CB GLU A 48 5.937 -3.730 8.811 1.00 0.00 C ATOM 756 CG GLU A 48 5.883 -2.521 9.730 1.00 0.00 C ATOM 757 CD GLU A 48 7.188 -2.289 10.467 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.136 -3.074 10.255 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.261 -1.323 11.255 1.00 0.00 O ATOM 0 H GLU A 48 5.629 -5.651 7.293 1.00 0.00 H new ATOM 0 HA GLU A 48 3.820 -3.968 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.032 -4.632 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.832 -3.666 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.638 -1.635 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.080 -2.656 10.455 1.00 0.00 H new ATOM 766 N ILE A 49 5.405 -2.509 6.016 1.00 0.00 N ATOM 767 CA ILE A 49 5.368 -1.364 5.114 1.00 0.00 C ATOM 768 C ILE A 49 4.025 -1.273 4.397 1.00 0.00 C ATOM 769 O ILE A 49 3.447 -0.193 4.277 1.00 0.00 O ATOM 770 CB ILE A 49 6.493 -1.437 4.065 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.860 -1.465 4.753 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.400 -0.260 3.106 1.00 0.00 C ATOM 773 CD1 ILE A 49 8.900 -2.260 3.996 1.00 0.00 C ATOM 0 H ILE A 49 6.119 -3.201 5.790 1.00 0.00 H new ATOM 0 HA ILE A 49 5.511 -0.474 5.727 1.00 0.00 H new ATOM 0 HB ILE A 49 6.377 -2.357 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.216 -0.442 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.747 -1.888 5.751 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.202 -0.326 2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.437 -0.282 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.494 0.672 3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.844 -2.237 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.565 -3.292 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.042 -1.825 3.007 1.00 0.00 H new ATOM 785 N ASN A 50 3.533 -2.413 3.925 1.00 0.00 N ATOM 786 CA ASN A 50 2.257 -2.462 3.221 1.00 0.00 C ATOM 787 C ASN A 50 1.111 -2.062 4.144 1.00 0.00 C ATOM 788 O ASN A 50 0.338 -1.155 3.834 1.00 0.00 O ATOM 789 CB ASN A 50 2.012 -3.866 2.663 1.00 0.00 C ATOM 790 CG ASN A 50 1.564 -3.843 1.215 1.00 0.00 C ATOM 791 OD1 ASN A 50 2.078 -3.070 0.407 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.600 -4.693 0.880 1.00 0.00 N ATOM 0 H ASN A 50 3.999 -3.316 4.017 1.00 0.00 H new ATOM 0 HA ASN A 50 2.299 -1.752 2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.927 -4.452 2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.255 -4.367 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.257 -4.723 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.203 -5.316 1.583 1.00 0.00 H new ATOM 799 N ARG A 51 1.008 -2.744 5.280 1.00 0.00 N ATOM 800 CA ARG A 51 -0.044 -2.460 6.249 1.00 0.00 C ATOM 801 C ARG A 51 -0.074 -0.975 6.600 1.00 0.00 C ATOM 802 O ARG A 51 -1.109 -0.318 6.483 1.00 0.00 O ATOM 803 CB ARG A 51 0.163 -3.290 7.517 1.00 0.00 C ATOM 804 CG ARG A 51 -0.949 -3.128 8.540 1.00 0.00 C ATOM 805 CD ARG A 51 -0.840 -4.161 9.651 1.00 0.00 C ATOM 806 NE ARG A 51 0.222 -3.834 10.599 1.00 0.00 N ATOM 807 CZ ARG A 51 0.400 -4.470 11.751 1.00 0.00 C ATOM 808 NH1 ARG A 51 -0.409 -5.463 12.096 1.00 0.00 N ATOM 809 NH2 ARG A 51 1.389 -4.114 12.561 1.00 0.00 N ATOM 0 H ARG A 51 1.640 -3.497 5.552 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.000 -2.729 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.243 -4.342 7.243 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.111 -3.007 7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.908 -2.126 8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.916 -3.224 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.791 -4.226 10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.649 -5.142 9.216 1.00 0.00 H new ATOM 0 HE ARG A 51 0.862 -3.076 10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.170 -5.740 11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.270 -5.950 12.981 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.013 -3.351 12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.525 -4.603 13.446 1.00 0.00 H new ATOM 823 N LYS A 52 1.069 -0.451 7.031 1.00 0.00 N ATOM 824 CA LYS A 52 1.176 0.955 7.399 1.00 0.00 C ATOM 825 C LYS A 52 0.818 1.855 6.220 1.00 0.00 C ATOM 826 O LYS A 52 0.174 2.890 6.391 1.00 0.00 O ATOM 827 CB LYS A 52 2.593 1.271 7.883 1.00 0.00 C ATOM 828 CG LYS A 52 2.920 0.671 9.239 1.00 0.00 C ATOM 829 CD LYS A 52 4.253 1.176 9.765 1.00 0.00 C ATOM 830 CE LYS A 52 4.107 2.527 10.450 1.00 0.00 C ATOM 831 NZ LYS A 52 5.408 3.246 10.542 1.00 0.00 N ATOM 0 H LYS A 52 1.935 -0.980 7.134 1.00 0.00 H new ATOM 0 HA LYS A 52 0.471 1.147 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.309 0.902 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.718 2.353 7.934 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.130 0.920 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.947 -0.416 9.160 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.665 0.453 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.962 1.259 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.392 3.138 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.699 2.385 11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.266 4.161 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.083 2.674 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.785 3.405 9.586 1.00 0.00 H new ATOM 845 N ARG A 53 1.237 1.451 5.025 1.00 0.00 N ATOM 846 CA ARG A 53 0.960 2.221 3.819 1.00 0.00 C ATOM 847 C ARG A 53 -0.541 2.289 3.550 1.00 0.00 C ATOM 848 O ARG A 53 -1.084 3.357 3.265 1.00 0.00 O ATOM 849 CB ARG A 53 1.677 1.602 2.617 1.00 0.00 C ATOM 850 CG ARG A 53 3.099 2.105 2.431 1.00 0.00 C ATOM 851 CD ARG A 53 3.143 3.332 1.534 1.00 0.00 C ATOM 852 NE ARG A 53 4.305 4.172 1.811 1.00 0.00 N ATOM 853 CZ ARG A 53 4.485 5.376 1.281 1.00 0.00 C ATOM 854 NH1 ARG A 53 3.583 5.880 0.451 1.00 0.00 N ATOM 855 NH2 ARG A 53 5.570 6.079 1.582 1.00 0.00 N ATOM 0 H ARG A 53 1.769 0.595 4.867 1.00 0.00 H new ATOM 0 HA ARG A 53 1.331 3.235 3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.696 0.519 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.104 1.814 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.530 2.347 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.712 1.314 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.164 3.017 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.233 3.915 1.673 1.00 0.00 H new ATOM 0 HE ARG A 53 5.018 3.814 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.748 5.343 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.724 6.805 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.266 5.694 2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.708 7.004 1.175 1.00 0.00 H new ATOM 869 N LEU A 54 -1.205 1.142 3.641 1.00 0.00 N ATOM 870 CA LEU A 54 -2.643 1.070 3.407 1.00 0.00 C ATOM 871 C LEU A 54 -3.406 1.875 4.455 1.00 0.00 C ATOM 872 O LEU A 54 -4.278 2.677 4.121 1.00 0.00 O ATOM 873 CB LEU A 54 -3.111 -0.386 3.426 1.00 0.00 C ATOM 874 CG LEU A 54 -2.784 -1.212 2.182 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.791 -2.697 2.510 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.770 -0.906 1.064 1.00 0.00 C ATOM 0 H LEU A 54 -0.771 0.249 3.875 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.848 1.498 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.667 -0.878 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.191 -0.398 3.572 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.785 -0.941 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.556 -3.269 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.045 -2.904 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.777 -2.984 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.522 -1.503 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.780 -1.148 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.715 0.153 0.810 1.00 0.00 H new ATOM 888 N GLU A 55 -3.070 1.656 5.722 1.00 0.00 N ATOM 889 CA GLU A 55 -3.723 2.362 6.818 1.00 0.00 C ATOM 890 C GLU A 55 -3.601 3.873 6.641 1.00 0.00 C ATOM 891 O GLU A 55 -4.586 4.603 6.748 1.00 0.00 O ATOM 892 CB GLU A 55 -3.115 1.943 8.159 1.00 0.00 C ATOM 893 CG GLU A 55 -3.751 0.698 8.753 1.00 0.00 C ATOM 894 CD GLU A 55 -2.929 0.104 9.880 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.006 0.790 10.367 1.00 0.00 O ATOM 896 OE2 GLU A 55 -3.209 -1.047 10.276 1.00 0.00 O ATOM 0 H GLU A 55 -2.350 0.996 6.015 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.780 2.097 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.048 1.767 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.216 2.766 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.746 0.945 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.880 -0.049 7.970 1.00 0.00 H new ATOM 903 N VAL A 56 -2.384 4.334 6.372 1.00 0.00 N ATOM 904 CA VAL A 56 -2.131 5.757 6.180 1.00 0.00 C ATOM 905 C VAL A 56 -2.743 6.253 4.874 1.00 0.00 C ATOM 906 O VAL A 56 -3.093 7.426 4.746 1.00 0.00 O ATOM 907 CB VAL A 56 -0.622 6.064 6.175 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.379 7.549 5.954 1.00 0.00 C ATOM 909 CG2 VAL A 56 0.020 5.598 7.474 1.00 0.00 C ATOM 0 H VAL A 56 -1.558 3.743 6.282 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.597 6.276 7.017 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.161 5.519 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.693 7.746 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.803 7.848 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.852 8.118 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.086 5.823 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.444 6.114 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.122 4.523 7.585 1.00 0.00 H new ATOM 919 N ASP A 57 -2.869 5.351 3.907 1.00 0.00 N ATOM 920 CA ASP A 57 -3.440 5.695 2.610 1.00 0.00 C ATOM 921 C ASP A 57 -4.959 5.809 2.698 1.00 0.00 C ATOM 922 O ASP A 57 -5.584 6.529 1.919 1.00 0.00 O ATOM 923 CB ASP A 57 -3.055 4.648 1.564 1.00 0.00 C ATOM 924 CG ASP A 57 -1.692 4.912 0.955 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.010 5.853 1.412 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.307 4.177 0.023 1.00 0.00 O ATOM 0 H ASP A 57 -2.583 4.376 3.997 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.037 6.662 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.059 3.660 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.806 4.634 0.774 1.00 0.00 H new ATOM 931 N TYR A 58 -5.546 5.094 3.651 1.00 0.00 N ATOM 932 CA TYR A 58 -6.992 5.111 3.839 1.00 0.00 C ATOM 933 C TYR A 58 -7.389 6.115 4.917 1.00 0.00 C ATOM 934 O TYR A 58 -8.437 5.983 5.549 1.00 0.00 O ATOM 935 CB TYR A 58 -7.496 3.717 4.214 1.00 0.00 C ATOM 936 CG TYR A 58 -7.500 2.743 3.057 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.218 3.014 1.898 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.786 1.553 3.122 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.225 2.127 0.839 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.786 0.661 2.067 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.508 0.952 0.929 1.00 0.00 C ATOM 942 OH TYR A 58 -7.511 0.066 -0.125 1.00 0.00 O ATOM 0 H TYR A 58 -5.043 4.495 4.306 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.451 5.414 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.872 3.317 5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.508 3.800 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.780 3.933 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.221 1.321 4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.789 2.352 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.224 -0.259 2.133 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.956 -0.710 0.099 1.00 0.00 H new ATOM 952 N GLY A 59 -6.542 7.119 5.122 1.00 0.00 N ATOM 953 CA GLY A 59 -6.821 8.132 6.124 1.00 0.00 C ATOM 954 C GLY A 59 -7.135 7.534 7.481 1.00 0.00 C ATOM 955 O GLY A 59 -7.870 8.125 8.274 1.00 0.00 O ATOM 0 H GLY A 59 -5.668 7.249 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.962 8.797 6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.663 8.742 5.795 1.00 0.00 H new ATOM 959 N LEU A 60 -6.580 6.357 7.750 1.00 0.00 N ATOM 960 CA LEU A 60 -6.806 5.677 9.020 1.00 0.00 C ATOM 961 C LEU A 60 -5.735 6.054 10.038 1.00 0.00 C ATOM 962 O LEU A 60 -5.967 6.003 11.246 1.00 0.00 O ATOM 963 CB LEU A 60 -6.819 4.161 8.815 1.00 0.00 C ATOM 964 CG LEU A 60 -7.783 3.636 7.749 1.00 0.00 C ATOM 965 CD1 LEU A 60 -7.680 2.123 7.636 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.211 4.054 8.069 1.00 0.00 C ATOM 0 H LEU A 60 -5.970 5.854 7.105 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.775 5.994 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.810 3.841 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.067 3.688 9.765 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.506 4.071 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.373 1.767 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.662 1.847 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.931 1.669 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.883 3.672 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.500 3.648 9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.274 5.142 8.098 1.00 0.00 H new ATOM 978 N SER A 61 -4.562 6.435 9.542 1.00 0.00 N ATOM 979 CA SER A 61 -3.454 6.820 10.408 1.00 0.00 C ATOM 980 C SER A 61 -3.132 8.303 10.252 1.00 0.00 C ATOM 981 O SER A 61 -2.566 8.923 11.150 1.00 0.00 O ATOM 982 CB SER A 61 -2.215 5.981 10.090 1.00 0.00 C ATOM 983 OG SER A 61 -1.077 6.470 10.778 1.00 0.00 O ATOM 0 H SER A 61 -4.355 6.485 8.545 1.00 0.00 H new ATOM 0 HA SER A 61 -3.752 6.638 11.440 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.394 4.943 10.369 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.028 5.995 9.016 1.00 0.00 H new ATOM 0 HG SER A 61 -0.299 5.916 10.559 1.00 0.00 H new TER 989 SER A 61