USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN : amide:sc= -5.49! C(o=-24!,f=-27!) USER MOD Set 1.2: A 71 GLN : amide:sc= -18.1! C(o=-24!,f=-32!) USER MOD Single : A 1 MET CE :methyl 165:sc= -15.2! (180deg=-16.2!) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.34 (180deg=-0.506) USER MOD Single : A 8 ASN : amide:sc= -0.0893 X(o=-0.089,f=-0.53) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=-0.29) USER MOD Single : A 19 SER OG : rot -70:sc= -0.969 USER MOD Single : A 21 THR OG1 : rot 132:sc= -3.2! USER MOD Single : A 22 SER OG : rot 180:sc= -0.467 USER MOD Single : A 25 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.035) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= -2.63 (180deg=-7.73!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0545 X(o=-0.054,f=-0.0019) USER MOD Single : A 55 THR OG1 : rot -140:sc= -3.33! USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.011) USER MOD Single : A 59 CYS SG : rot 96:sc= -2.38! USER MOD Single : A 63 GLN : amide:sc= -0.735 X(o=-0.73,f=-0.49) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -74:sc= -3.45! USER MOD Single : A 68 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.474 -16.294 1.709 1.00 0.00 N ATOM 2 CA MET A 1 -0.721 -15.297 0.630 1.00 0.00 C ATOM 3 C MET A 1 0.517 -14.443 0.392 1.00 0.00 C ATOM 4 O MET A 1 1.056 -13.844 1.316 1.00 0.00 O ATOM 5 CB MET A 1 -1.920 -14.395 0.995 1.00 0.00 C ATOM 6 CG MET A 1 -2.842 -14.933 2.091 1.00 0.00 C ATOM 7 SD MET A 1 -2.134 -14.864 3.758 1.00 0.00 S ATOM 8 CE MET A 1 -1.111 -13.395 3.672 1.00 0.00 C ATOM 0 H1 MET A 1 -1.156 -17.074 1.623 1.00 0.00 H new ATOM 0 H2 MET A 1 0.493 -16.668 1.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.586 -15.837 2.636 1.00 0.00 H new ATOM 0 HA MET A 1 -0.952 -15.839 -0.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.538 -13.424 1.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.513 -14.228 0.096 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.772 -14.364 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.098 -15.967 1.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.834 -13.085 4.680 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.210 -13.612 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.666 -12.593 3.185 1.00 0.00 H new ATOM 18 N ILE A 2 0.973 -14.395 -0.853 1.00 0.00 N ATOM 19 CA ILE A 2 2.151 -13.610 -1.199 1.00 0.00 C ATOM 20 C ILE A 2 1.806 -12.602 -2.283 1.00 0.00 C ATOM 21 O ILE A 2 1.403 -12.989 -3.380 1.00 0.00 O ATOM 22 CB ILE A 2 3.311 -14.504 -1.695 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.288 -15.864 -0.993 1.00 0.00 C ATOM 24 CG2 ILE A 2 4.648 -13.814 -1.468 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.333 -16.827 -1.513 1.00 0.00 C ATOM 0 H ILE A 2 0.547 -14.888 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 2 2.475 -13.095 -0.295 1.00 0.00 H new ATOM 0 HB ILE A 2 3.180 -14.669 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.442 -15.715 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.301 -16.310 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.454 -14.457 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.668 -12.871 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.781 -13.619 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.260 -17.770 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.167 -17.005 -2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.325 -16.401 -1.367 1.00 0.00 H new ATOM 37 N VAL A 3 1.951 -11.310 -1.988 1.00 0.00 N ATOM 38 CA VAL A 3 1.625 -10.302 -2.987 1.00 0.00 C ATOM 39 C VAL A 3 2.657 -9.186 -3.008 1.00 0.00 C ATOM 40 O VAL A 3 3.371 -8.978 -2.037 1.00 0.00 O ATOM 41 CB VAL A 3 0.221 -9.710 -2.748 1.00 0.00 C ATOM 42 CG1 VAL A 3 -0.237 -8.895 -3.949 1.00 0.00 C ATOM 43 CG2 VAL A 3 -0.781 -10.817 -2.444 1.00 0.00 C ATOM 0 H VAL A 3 2.282 -10.948 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 3 1.634 -10.801 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 3 0.277 -9.045 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.230 -8.488 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.463 -8.077 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.273 -9.535 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.766 -10.381 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.827 -11.507 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.468 -11.356 -1.550 1.00 0.00 H new ATOM 53 N PHE A 4 2.738 -8.464 -4.118 1.00 0.00 N ATOM 54 CA PHE A 4 3.686 -7.371 -4.228 1.00 0.00 C ATOM 55 C PHE A 4 3.010 -6.061 -3.849 1.00 0.00 C ATOM 56 O PHE A 4 2.031 -5.659 -4.478 1.00 0.00 O ATOM 57 CB PHE A 4 4.232 -7.279 -5.655 1.00 0.00 C ATOM 58 CG PHE A 4 5.259 -8.326 -5.982 1.00 0.00 C ATOM 59 CD1 PHE A 4 5.011 -9.665 -5.728 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.473 -7.968 -6.549 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.955 -10.628 -6.032 1.00 0.00 C ATOM 62 CE2 PHE A 4 7.420 -8.927 -6.855 1.00 0.00 C ATOM 63 CZ PHE A 4 7.160 -10.259 -6.596 1.00 0.00 C ATOM 0 H PHE A 4 2.163 -8.616 -4.947 1.00 0.00 H new ATOM 0 HA PHE A 4 4.516 -7.559 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.403 -7.365 -6.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.673 -6.293 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.070 -9.960 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.681 -6.928 -6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.750 -11.669 -5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.362 -8.636 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.898 -11.010 -6.834 1.00 0.00 H new ATOM 73 N VAL A 5 3.521 -5.393 -2.818 1.00 0.00 N ATOM 74 CA VAL A 5 2.930 -4.135 -2.385 1.00 0.00 C ATOM 75 C VAL A 5 3.502 -2.955 -3.157 1.00 0.00 C ATOM 76 O VAL A 5 4.698 -2.662 -3.097 1.00 0.00 O ATOM 77 CB VAL A 5 3.149 -3.883 -0.883 1.00 0.00 C ATOM 78 CG1 VAL A 5 4.573 -4.225 -0.487 1.00 0.00 C ATOM 79 CG2 VAL A 5 2.838 -2.437 -0.523 1.00 0.00 C ATOM 0 H VAL A 5 4.330 -5.697 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 5 1.862 -4.222 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 5 2.467 -4.529 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.709 -4.040 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.768 -5.276 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.267 -3.605 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.001 -2.285 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.492 -1.773 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.799 -2.217 -0.767 1.00 0.00 H new ATOM 89 N ARG A 6 2.615 -2.281 -3.867 1.00 0.00 N ATOM 90 CA ARG A 6 2.967 -1.110 -4.661 1.00 0.00 C ATOM 91 C ARG A 6 2.356 0.157 -4.065 1.00 0.00 C ATOM 92 O ARG A 6 1.248 0.132 -3.529 1.00 0.00 O ATOM 93 CB ARG A 6 2.507 -1.287 -6.108 1.00 0.00 C ATOM 94 CG ARG A 6 3.523 -2.003 -6.983 1.00 0.00 C ATOM 95 CD ARG A 6 3.951 -3.323 -6.362 1.00 0.00 C ATOM 96 NE ARG A 6 4.301 -4.319 -7.374 1.00 0.00 N ATOM 97 CZ ARG A 6 5.370 -4.234 -8.162 1.00 0.00 C ATOM 98 NH1 ARG A 6 6.200 -3.203 -8.059 1.00 0.00 N ATOM 99 NH2 ARG A 6 5.611 -5.184 -9.055 1.00 0.00 N ATOM 0 H ARG A 6 1.626 -2.528 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 6 4.052 -1.007 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.572 -1.847 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.296 -0.307 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.094 -2.184 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.396 -1.366 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.807 -3.155 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.144 -3.708 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 6 3.689 -5.128 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.020 -2.470 -7.373 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.018 -3.144 -8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.977 -5.979 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.430 -5.120 -9.659 1.00 0.00 H new ATOM 113 N PHE A 7 3.084 1.261 -4.167 1.00 0.00 N ATOM 114 CA PHE A 7 2.624 2.546 -3.647 1.00 0.00 C ATOM 115 C PHE A 7 2.948 3.659 -4.637 1.00 0.00 C ATOM 116 O PHE A 7 3.920 3.551 -5.383 1.00 0.00 O ATOM 117 CB PHE A 7 3.282 2.837 -2.297 1.00 0.00 C ATOM 118 CG PHE A 7 4.749 2.510 -2.261 1.00 0.00 C ATOM 119 CD1 PHE A 7 5.646 3.211 -3.050 1.00 0.00 C ATOM 120 CD2 PHE A 7 5.231 1.503 -1.439 1.00 0.00 C ATOM 121 CE1 PHE A 7 6.995 2.915 -3.021 1.00 0.00 C ATOM 122 CE2 PHE A 7 6.579 1.202 -1.406 1.00 0.00 C ATOM 123 CZ PHE A 7 7.463 1.909 -2.197 1.00 0.00 C ATOM 0 H PHE A 7 4.003 1.294 -4.608 1.00 0.00 H new ATOM 0 HA PHE A 7 1.544 2.500 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.147 3.891 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.771 2.265 -1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.286 3.999 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.545 0.947 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.683 3.469 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.941 0.414 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.517 1.676 -2.172 1.00 0.00 H new ATOM 133 N ASN A 8 2.143 4.728 -4.655 1.00 0.00 N ATOM 134 CA ASN A 8 2.405 5.832 -5.577 1.00 0.00 C ATOM 135 C ASN A 8 3.705 6.520 -5.179 1.00 0.00 C ATOM 136 O ASN A 8 3.715 7.632 -4.652 1.00 0.00 O ATOM 137 CB ASN A 8 1.248 6.833 -5.558 1.00 0.00 C ATOM 138 CG ASN A 8 1.291 7.789 -6.733 1.00 0.00 C ATOM 139 OD1 ASN A 8 2.284 8.484 -6.947 1.00 0.00 O ATOM 140 ND2 ASN A 8 0.209 7.830 -7.502 1.00 0.00 N ATOM 0 H ASN A 8 1.326 4.849 -4.057 1.00 0.00 H new ATOM 0 HA ASN A 8 2.497 5.439 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.302 6.291 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.279 7.402 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.179 8.455 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.592 7.236 -7.287 1.00 0.00 H new ATOM 147 N SER A 9 4.792 5.813 -5.438 1.00 0.00 N ATOM 148 CA SER A 9 6.139 6.260 -5.133 1.00 0.00 C ATOM 149 C SER A 9 7.113 5.395 -5.919 1.00 0.00 C ATOM 150 O SER A 9 6.721 4.750 -6.891 1.00 0.00 O ATOM 151 CB SER A 9 6.417 6.162 -3.629 1.00 0.00 C ATOM 152 OG SER A 9 6.948 7.376 -3.129 1.00 0.00 O ATOM 0 H SER A 9 4.761 4.892 -5.876 1.00 0.00 H new ATOM 0 HA SER A 9 6.257 7.306 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.495 5.920 -3.101 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.117 5.349 -3.438 1.00 0.00 H new ATOM 0 HG SER A 9 7.115 7.288 -2.167 1.00 0.00 H new ATOM 158 N SER A 10 8.368 5.346 -5.484 1.00 0.00 N ATOM 159 CA SER A 10 9.364 4.507 -6.142 1.00 0.00 C ATOM 160 C SER A 10 8.798 3.095 -6.336 1.00 0.00 C ATOM 161 O SER A 10 7.678 2.806 -5.912 1.00 0.00 O ATOM 162 CB SER A 10 10.648 4.450 -5.313 1.00 0.00 C ATOM 163 OG SER A 10 11.416 5.630 -5.479 1.00 0.00 O ATOM 0 H SER A 10 8.718 5.873 -4.684 1.00 0.00 H new ATOM 0 HA SER A 10 9.602 4.937 -7.115 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.399 4.320 -4.260 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.238 3.583 -5.611 1.00 0.00 H new ATOM 0 HG SER A 10 12.230 5.569 -4.937 1.00 0.00 H new ATOM 169 N HIS A 11 9.546 2.225 -6.999 1.00 0.00 N ATOM 170 CA HIS A 11 9.061 0.870 -7.264 1.00 0.00 C ATOM 171 C HIS A 11 8.644 0.164 -5.974 1.00 0.00 C ATOM 172 O HIS A 11 9.233 0.369 -4.913 1.00 0.00 O ATOM 173 CB HIS A 11 10.140 0.055 -7.983 1.00 0.00 C ATOM 174 CG HIS A 11 9.758 -0.340 -9.377 1.00 0.00 C ATOM 175 ND1 HIS A 11 9.083 0.499 -10.239 1.00 0.00 N ATOM 176 CD2 HIS A 11 9.959 -1.493 -10.058 1.00 0.00 C ATOM 177 CE1 HIS A 11 8.884 -0.121 -11.389 1.00 0.00 C ATOM 178 NE2 HIS A 11 9.408 -1.331 -11.304 1.00 0.00 N ATOM 0 H HIS A 11 10.479 2.425 -7.361 1.00 0.00 H new ATOM 0 HA HIS A 11 8.182 0.948 -7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 11 11.061 0.637 -8.018 1.00 0.00 H new ATOM 0 HB3 HIS A 11 10.352 -0.844 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.460 -2.376 -9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 11 8.380 0.291 -12.251 1.00 0.00 H new ATOM 0 HE2 HIS A 11 9.404 -2.032 -12.045 1.00 0.00 H new ATOM 187 N GLY A 12 7.595 -0.655 -6.085 1.00 0.00 N ATOM 188 CA GLY A 12 7.065 -1.377 -4.940 1.00 0.00 C ATOM 189 C GLY A 12 7.934 -2.548 -4.534 1.00 0.00 C ATOM 190 O GLY A 12 8.895 -2.883 -5.225 1.00 0.00 O ATOM 0 H GLY A 12 7.100 -0.831 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.968 -0.693 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.063 -1.737 -5.175 1.00 0.00 H new ATOM 194 N PHE A 13 7.603 -3.170 -3.403 1.00 0.00 N ATOM 195 CA PHE A 13 8.378 -4.306 -2.914 1.00 0.00 C ATOM 196 C PHE A 13 7.496 -5.536 -2.717 1.00 0.00 C ATOM 197 O PHE A 13 6.352 -5.427 -2.274 1.00 0.00 O ATOM 198 CB PHE A 13 9.068 -3.947 -1.597 1.00 0.00 C ATOM 199 CG PHE A 13 9.950 -2.734 -1.692 1.00 0.00 C ATOM 200 CD1 PHE A 13 11.213 -2.822 -2.253 1.00 0.00 C ATOM 201 CD2 PHE A 13 9.514 -1.507 -1.218 1.00 0.00 C ATOM 202 CE1 PHE A 13 12.027 -1.708 -2.340 1.00 0.00 C ATOM 203 CE2 PHE A 13 10.323 -0.390 -1.303 1.00 0.00 C ATOM 204 CZ PHE A 13 11.581 -0.490 -1.865 1.00 0.00 C ATOM 0 H PHE A 13 6.812 -2.909 -2.815 1.00 0.00 H new ATOM 0 HA PHE A 13 9.132 -4.543 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.309 -3.775 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.666 -4.796 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 13 11.566 -3.772 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.532 -1.423 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 13 13.010 -1.790 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 13 9.972 0.561 -0.930 1.00 0.00 H new ATOM 0 HZ PHE A 13 12.214 0.382 -1.933 1.00 0.00 H new ATOM 214 N PRO A 14 8.024 -6.735 -3.032 1.00 0.00 N ATOM 215 CA PRO A 14 7.280 -7.987 -2.869 1.00 0.00 C ATOM 216 C PRO A 14 6.985 -8.265 -1.403 1.00 0.00 C ATOM 217 O PRO A 14 7.896 -8.287 -0.575 1.00 0.00 O ATOM 218 CB PRO A 14 8.226 -9.049 -3.436 1.00 0.00 C ATOM 219 CG PRO A 14 9.583 -8.439 -3.352 1.00 0.00 C ATOM 220 CD PRO A 14 9.385 -6.963 -3.551 1.00 0.00 C ATOM 0 HA PRO A 14 6.312 -7.964 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.172 -9.973 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.968 -9.299 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.044 -8.644 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.244 -8.851 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.127 -6.380 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.468 -6.683 -4.601 1.00 0.00 H new ATOM 228 N VAL A 15 5.711 -8.458 -1.074 1.00 0.00 N ATOM 229 CA VAL A 15 5.326 -8.711 0.304 1.00 0.00 C ATOM 230 C VAL A 15 4.581 -10.032 0.440 1.00 0.00 C ATOM 231 O VAL A 15 3.521 -10.226 -0.150 1.00 0.00 O ATOM 232 CB VAL A 15 4.450 -7.563 0.842 1.00 0.00 C ATOM 233 CG1 VAL A 15 3.290 -7.283 -0.088 1.00 0.00 C ATOM 234 CG2 VAL A 15 3.939 -7.880 2.227 1.00 0.00 C ATOM 0 H VAL A 15 4.937 -8.444 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 15 6.241 -8.771 0.893 1.00 0.00 H new ATOM 0 HB VAL A 15 5.073 -6.670 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.688 -6.469 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.671 -7.001 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.674 -8.178 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.323 -7.055 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.342 -8.791 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.783 -8.023 2.902 1.00 0.00 H new ATOM 244 N GLU A 16 5.137 -10.940 1.230 1.00 0.00 N ATOM 245 CA GLU A 16 4.501 -12.233 1.431 1.00 0.00 C ATOM 246 C GLU A 16 3.338 -12.093 2.399 1.00 0.00 C ATOM 247 O GLU A 16 3.477 -12.310 3.602 1.00 0.00 O ATOM 248 CB GLU A 16 5.514 -13.255 1.954 1.00 0.00 C ATOM 249 CG GLU A 16 4.908 -14.616 2.260 1.00 0.00 C ATOM 250 CD GLU A 16 4.607 -14.802 3.735 1.00 0.00 C ATOM 251 OE1 GLU A 16 5.294 -14.170 4.565 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.686 -15.581 4.059 1.00 0.00 O ATOM 0 H GLU A 16 6.013 -10.808 1.735 1.00 0.00 H new ATOM 0 HA GLU A 16 4.121 -12.590 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.307 -13.378 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.979 -12.862 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.989 -14.737 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.594 -15.397 1.932 1.00 0.00 H new ATOM 259 N VAL A 17 2.184 -11.744 1.838 1.00 0.00 N ATOM 260 CA VAL A 17 0.945 -11.566 2.582 1.00 0.00 C ATOM 261 C VAL A 17 -0.217 -11.468 1.603 1.00 0.00 C ATOM 262 O VAL A 17 -0.050 -11.688 0.405 1.00 0.00 O ATOM 263 CB VAL A 17 0.923 -10.291 3.459 1.00 0.00 C ATOM 264 CG1 VAL A 17 2.265 -10.008 4.078 1.00 0.00 C ATOM 265 CG2 VAL A 17 0.462 -9.088 2.656 1.00 0.00 C ATOM 0 H VAL A 17 2.084 -11.575 0.837 1.00 0.00 H new ATOM 0 HA VAL A 17 0.862 -12.429 3.243 1.00 0.00 H new ATOM 0 HB VAL A 17 0.213 -10.476 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.203 -9.105 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.560 -10.848 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.006 -9.866 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.455 -8.205 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.143 -8.926 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.543 -9.268 2.275 1.00 0.00 H new ATOM 275 N ASP A 18 -1.361 -11.029 2.108 1.00 0.00 N ATOM 276 CA ASP A 18 -2.508 -10.771 1.268 1.00 0.00 C ATOM 277 C ASP A 18 -2.564 -9.256 1.135 1.00 0.00 C ATOM 278 O ASP A 18 -2.884 -8.550 2.091 1.00 0.00 O ATOM 279 CB ASP A 18 -3.791 -11.326 1.895 1.00 0.00 C ATOM 280 CG ASP A 18 -3.843 -11.124 3.398 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.096 -10.262 3.907 1.00 0.00 O ATOM 282 OD2 ASP A 18 -4.631 -11.827 4.064 1.00 0.00 O ATOM 0 H ASP A 18 -1.514 -10.845 3.100 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.422 -11.260 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.653 -10.841 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.868 -12.390 1.673 1.00 0.00 H new ATOM 287 N SER A 19 -2.163 -8.755 -0.021 1.00 0.00 N ATOM 288 CA SER A 19 -2.086 -7.313 -0.226 1.00 0.00 C ATOM 289 C SER A 19 -3.386 -6.690 -0.728 1.00 0.00 C ATOM 290 O SER A 19 -3.426 -5.485 -0.971 1.00 0.00 O ATOM 291 CB SER A 19 -0.918 -6.971 -1.156 1.00 0.00 C ATOM 292 OG SER A 19 0.323 -7.273 -0.543 1.00 0.00 O ATOM 0 H SER A 19 -1.887 -9.316 -0.827 1.00 0.00 H new ATOM 0 HA SER A 19 -1.911 -6.872 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.014 -7.530 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.952 -5.913 -1.415 1.00 0.00 H new ATOM 0 HG SER A 19 0.489 -6.642 0.188 1.00 0.00 H new ATOM 298 N ASP A 20 -4.462 -7.471 -0.844 1.00 0.00 N ATOM 299 CA ASP A 20 -5.737 -6.901 -1.281 1.00 0.00 C ATOM 300 C ASP A 20 -6.851 -7.141 -0.275 1.00 0.00 C ATOM 301 O ASP A 20 -7.845 -6.426 -0.287 1.00 0.00 O ATOM 302 CB ASP A 20 -6.159 -7.408 -2.651 1.00 0.00 C ATOM 303 CG ASP A 20 -5.644 -8.794 -2.953 1.00 0.00 C ATOM 304 OD1 ASP A 20 -5.877 -9.704 -2.129 1.00 0.00 O ATOM 305 OD2 ASP A 20 -5.011 -8.971 -4.015 1.00 0.00 O ATOM 0 H ASP A 20 -4.479 -8.472 -0.648 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.567 -5.827 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.247 -7.410 -2.712 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.798 -6.718 -3.414 1.00 0.00 H new ATOM 310 N THR A 21 -6.664 -8.125 0.601 1.00 0.00 N ATOM 311 CA THR A 21 -7.632 -8.455 1.644 1.00 0.00 C ATOM 312 C THR A 21 -8.296 -7.196 2.181 1.00 0.00 C ATOM 313 O THR A 21 -7.901 -6.089 1.825 1.00 0.00 O ATOM 314 CB THR A 21 -6.945 -9.216 2.757 1.00 0.00 C ATOM 315 OG1 THR A 21 -7.686 -9.138 3.960 1.00 0.00 O ATOM 316 CG2 THR A 21 -5.544 -8.722 3.032 1.00 0.00 C ATOM 0 H THR A 21 -5.834 -8.718 0.608 1.00 0.00 H new ATOM 0 HA THR A 21 -8.411 -9.085 1.215 1.00 0.00 H new ATOM 0 HB THR A 21 -6.886 -10.248 2.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.778 -10.034 4.346 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.104 -9.307 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.937 -8.830 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.579 -7.672 3.322 1.00 0.00 H new ATOM 324 N SER A 22 -9.348 -7.347 2.978 1.00 0.00 N ATOM 325 CA SER A 22 -10.100 -6.197 3.464 1.00 0.00 C ATOM 326 C SER A 22 -9.219 -4.986 3.701 1.00 0.00 C ATOM 327 O SER A 22 -8.036 -5.100 4.028 1.00 0.00 O ATOM 328 CB SER A 22 -10.840 -6.557 4.751 1.00 0.00 C ATOM 329 OG SER A 22 -11.657 -5.484 5.187 1.00 0.00 O ATOM 0 H SER A 22 -9.698 -8.250 3.300 1.00 0.00 H new ATOM 0 HA SER A 22 -10.816 -5.933 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.454 -7.442 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.120 -6.810 5.530 1.00 0.00 H new ATOM 0 HG SER A 22 -12.121 -5.740 6.011 1.00 0.00 H new ATOM 335 N ILE A 23 -9.819 -3.820 3.491 1.00 0.00 N ATOM 336 CA ILE A 23 -9.122 -2.558 3.626 1.00 0.00 C ATOM 337 C ILE A 23 -8.298 -2.516 4.904 1.00 0.00 C ATOM 338 O ILE A 23 -7.197 -1.979 4.914 1.00 0.00 O ATOM 339 CB ILE A 23 -10.117 -1.384 3.595 1.00 0.00 C ATOM 340 CG1 ILE A 23 -9.371 -0.049 3.540 1.00 0.00 C ATOM 341 CG2 ILE A 23 -11.043 -1.437 4.803 1.00 0.00 C ATOM 342 CD1 ILE A 23 -9.669 0.759 2.296 1.00 0.00 C ATOM 0 H ILE A 23 -10.799 -3.729 3.223 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.440 -2.464 2.781 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.726 -1.471 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.633 0.541 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.299 -0.239 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.740 -0.600 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.601 -2.374 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.452 -1.376 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.106 1.692 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.380 0.188 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.735 0.980 2.252 1.00 0.00 H new ATOM 354 N PHE A 24 -8.819 -3.108 5.969 1.00 0.00 N ATOM 355 CA PHE A 24 -8.100 -3.146 7.233 1.00 0.00 C ATOM 356 C PHE A 24 -6.808 -3.945 7.082 1.00 0.00 C ATOM 357 O PHE A 24 -5.746 -3.538 7.561 1.00 0.00 O ATOM 358 CB PHE A 24 -8.976 -3.764 8.325 1.00 0.00 C ATOM 359 CG PHE A 24 -9.873 -2.770 9.007 1.00 0.00 C ATOM 360 CD1 PHE A 24 -9.339 -1.693 9.695 1.00 0.00 C ATOM 361 CD2 PHE A 24 -11.251 -2.914 8.959 1.00 0.00 C ATOM 362 CE1 PHE A 24 -10.162 -0.777 10.323 1.00 0.00 C ATOM 363 CE2 PHE A 24 -12.079 -2.001 9.586 1.00 0.00 C ATOM 364 CZ PHE A 24 -11.533 -0.932 10.269 1.00 0.00 C ATOM 0 H PHE A 24 -9.731 -3.565 5.983 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.850 -2.125 7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.588 -4.552 7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.335 -4.235 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.267 -1.567 9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.683 -3.748 8.426 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.733 0.059 10.855 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -13.151 -2.124 9.542 1.00 0.00 H new ATOM 0 HZ PHE A 24 -12.178 -0.218 10.760 1.00 0.00 H new ATOM 374 N GLN A 25 -6.902 -5.099 6.429 1.00 0.00 N ATOM 375 CA GLN A 25 -5.745 -5.958 6.236 1.00 0.00 C ATOM 376 C GLN A 25 -4.706 -5.328 5.309 1.00 0.00 C ATOM 377 O GLN A 25 -3.590 -5.020 5.735 1.00 0.00 O ATOM 378 CB GLN A 25 -6.193 -7.300 5.671 1.00 0.00 C ATOM 379 CG GLN A 25 -7.347 -7.926 6.439 1.00 0.00 C ATOM 380 CD GLN A 25 -7.076 -8.020 7.928 1.00 0.00 C ATOM 381 OE1 GLN A 25 -7.474 -7.147 8.699 1.00 0.00 O ATOM 382 NE2 GLN A 25 -6.396 -9.084 8.338 1.00 0.00 N ATOM 0 H GLN A 25 -7.767 -5.458 6.026 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.273 -6.099 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.489 -7.167 4.630 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.348 -7.988 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.249 -7.337 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.541 -8.924 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.086 -9.783 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.184 -9.203 9.329 1.00 0.00 H new ATOM 391 N LEU A 26 -5.053 -5.167 4.029 1.00 0.00 N ATOM 392 CA LEU A 26 -4.113 -4.610 3.059 1.00 0.00 C ATOM 393 C LEU A 26 -3.477 -3.323 3.573 1.00 0.00 C ATOM 394 O LEU A 26 -2.262 -3.149 3.476 1.00 0.00 O ATOM 395 CB LEU A 26 -4.789 -4.368 1.698 1.00 0.00 C ATOM 396 CG LEU A 26 -6.202 -3.771 1.733 1.00 0.00 C ATOM 397 CD1 LEU A 26 -6.154 -2.291 2.054 1.00 0.00 C ATOM 398 CD2 LEU A 26 -6.904 -3.989 0.401 1.00 0.00 C ATOM 0 H LEU A 26 -5.966 -5.412 3.646 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.322 -5.347 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.152 -3.704 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.833 -5.318 1.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.763 -4.279 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.167 -1.890 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.687 -2.145 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.573 -1.772 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.905 -3.560 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.335 -3.506 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.976 -5.058 0.198 1.00 0.00 H new ATOM 410 N LYS A 27 -4.287 -2.432 4.133 1.00 0.00 N ATOM 411 CA LYS A 27 -3.781 -1.176 4.668 1.00 0.00 C ATOM 412 C LYS A 27 -2.720 -1.438 5.732 1.00 0.00 C ATOM 413 O LYS A 27 -1.737 -0.702 5.837 1.00 0.00 O ATOM 414 CB LYS A 27 -4.926 -0.347 5.259 1.00 0.00 C ATOM 415 CG LYS A 27 -5.542 -0.958 6.506 1.00 0.00 C ATOM 416 CD LYS A 27 -4.908 -0.421 7.775 1.00 0.00 C ATOM 417 CE LYS A 27 -5.702 -0.821 9.008 1.00 0.00 C ATOM 418 NZ LYS A 27 -4.845 -0.894 10.224 1.00 0.00 N ATOM 0 H LYS A 27 -5.295 -2.557 4.228 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.326 -0.614 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.555 0.650 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.702 -0.225 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.612 -0.752 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.427 -2.041 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.888 -0.796 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.844 0.666 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.504 -0.101 9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.173 -1.789 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.090 -1.744 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.845 -0.939 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.001 -0.049 10.810 1.00 0.00 H new ATOM 432 N GLU A 28 -2.931 -2.483 6.530 1.00 0.00 N ATOM 433 CA GLU A 28 -1.991 -2.820 7.593 1.00 0.00 C ATOM 434 C GLU A 28 -0.623 -3.214 7.037 1.00 0.00 C ATOM 435 O GLU A 28 0.389 -2.619 7.401 1.00 0.00 O ATOM 436 CB GLU A 28 -2.551 -3.949 8.462 1.00 0.00 C ATOM 437 CG GLU A 28 -3.345 -3.460 9.661 1.00 0.00 C ATOM 438 CD GLU A 28 -3.741 -4.584 10.598 1.00 0.00 C ATOM 439 OE1 GLU A 28 -4.194 -5.638 10.103 1.00 0.00 O ATOM 440 OE2 GLU A 28 -3.601 -4.411 11.827 1.00 0.00 O ATOM 0 H GLU A 28 -3.737 -3.105 6.461 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.857 -1.928 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.190 -4.585 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.726 -4.569 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.753 -2.727 10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.243 -2.949 9.313 1.00 0.00 H new ATOM 447 N VAL A 29 -0.587 -4.219 6.163 1.00 0.00 N ATOM 448 CA VAL A 29 0.686 -4.667 5.591 1.00 0.00 C ATOM 449 C VAL A 29 1.427 -3.509 4.919 1.00 0.00 C ATOM 450 O VAL A 29 2.598 -3.255 5.212 1.00 0.00 O ATOM 451 CB VAL A 29 0.510 -5.814 4.565 1.00 0.00 C ATOM 452 CG1 VAL A 29 1.850 -6.186 3.936 1.00 0.00 C ATOM 453 CG2 VAL A 29 -0.119 -7.041 5.213 1.00 0.00 C ATOM 0 H VAL A 29 -1.407 -4.732 5.839 1.00 0.00 H new ATOM 0 HA VAL A 29 1.272 -5.046 6.428 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.160 -5.457 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.704 -6.993 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.266 -5.318 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.539 -6.513 4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.230 -7.829 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.521 -7.394 6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.099 -6.779 5.613 1.00 0.00 H new ATOM 463 N VAL A 30 0.744 -2.815 4.014 1.00 0.00 N ATOM 464 CA VAL A 30 1.354 -1.694 3.298 1.00 0.00 C ATOM 465 C VAL A 30 1.867 -0.618 4.239 1.00 0.00 C ATOM 466 O VAL A 30 3.066 -0.464 4.439 1.00 0.00 O ATOM 467 CB VAL A 30 0.355 -0.993 2.347 1.00 0.00 C ATOM 468 CG1 VAL A 30 -1.005 -0.851 3.014 1.00 0.00 C ATOM 469 CG2 VAL A 30 0.880 0.389 1.972 1.00 0.00 C ATOM 0 H VAL A 30 -0.225 -3.005 3.759 1.00 0.00 H new ATOM 0 HA VAL A 30 2.175 -2.142 2.738 1.00 0.00 H new ATOM 0 HB VAL A 30 0.248 -1.601 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.695 -0.356 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.391 -1.838 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.905 -0.257 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.172 0.878 1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.000 0.990 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.843 0.289 1.472 1.00 0.00 H new ATOM 479 N ALA A 31 0.925 0.148 4.767 1.00 0.00 N ATOM 480 CA ALA A 31 1.216 1.257 5.638 1.00 0.00 C ATOM 481 C ALA A 31 2.191 0.896 6.757 1.00 0.00 C ATOM 482 O ALA A 31 3.070 1.689 7.094 1.00 0.00 O ATOM 483 CB ALA A 31 -0.085 1.799 6.178 1.00 0.00 C ATOM 0 H ALA A 31 -0.071 0.009 4.596 1.00 0.00 H new ATOM 0 HA ALA A 31 1.724 2.029 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.118 2.640 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.712 2.132 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.602 1.017 6.734 1.00 0.00 H new ATOM 489 N LYS A 32 2.055 -0.299 7.323 1.00 0.00 N ATOM 490 CA LYS A 32 2.958 -0.728 8.386 1.00 0.00 C ATOM 491 C LYS A 32 4.386 -0.777 7.860 1.00 0.00 C ATOM 492 O LYS A 32 5.318 -0.295 8.501 1.00 0.00 O ATOM 493 CB LYS A 32 2.552 -2.098 8.927 1.00 0.00 C ATOM 494 CG LYS A 32 3.402 -2.556 10.098 1.00 0.00 C ATOM 495 CD LYS A 32 3.396 -4.070 10.235 1.00 0.00 C ATOM 496 CE LYS A 32 4.532 -4.709 9.450 1.00 0.00 C ATOM 497 NZ LYS A 32 5.470 -5.451 10.336 1.00 0.00 N ATOM 0 H LYS A 32 1.339 -0.979 7.068 1.00 0.00 H new ATOM 0 HA LYS A 32 2.898 -0.008 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.507 -2.064 9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.623 -2.833 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.426 -2.206 9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.029 -2.105 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.483 -4.341 11.287 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.443 -4.464 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.120 -5.390 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.078 -3.937 8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.229 -5.871 9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.882 -4.796 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.954 -6.205 10.834 1.00 0.00 H new ATOM 511 N ARG A 33 4.537 -1.355 6.674 1.00 0.00 N ATOM 512 CA ARG A 33 5.838 -1.464 6.031 1.00 0.00 C ATOM 513 C ARG A 33 6.133 -0.234 5.172 1.00 0.00 C ATOM 514 O ARG A 33 7.257 -0.046 4.706 1.00 0.00 O ATOM 515 CB ARG A 33 5.893 -2.721 5.168 1.00 0.00 C ATOM 516 CG ARG A 33 5.592 -4.001 5.933 1.00 0.00 C ATOM 517 CD ARG A 33 6.686 -5.040 5.739 1.00 0.00 C ATOM 518 NE ARG A 33 6.496 -6.203 6.603 1.00 0.00 N ATOM 519 CZ ARG A 33 7.079 -7.382 6.397 1.00 0.00 C ATOM 520 NH1 ARG A 33 7.887 -7.559 5.359 1.00 0.00 N ATOM 521 NH2 ARG A 33 6.853 -8.388 7.231 1.00 0.00 N ATOM 0 H ARG A 33 3.769 -1.757 6.137 1.00 0.00 H new ATOM 0 HA ARG A 33 6.596 -1.527 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.180 -2.621 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.883 -2.800 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.488 -3.775 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.638 -4.409 5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.701 -5.361 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.656 -4.588 5.947 1.00 0.00 H new ATOM 0 HE ARG A 33 5.881 -6.106 7.411 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.064 -6.789 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.331 -8.465 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.233 -8.258 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.300 -9.291 7.073 1.00 0.00 H new ATOM 535 N GLN A 34 5.114 0.596 4.956 1.00 0.00 N ATOM 536 CA GLN A 34 5.256 1.798 4.144 1.00 0.00 C ATOM 537 C GLN A 34 5.803 2.968 4.968 1.00 0.00 C ATOM 538 O GLN A 34 6.072 4.042 4.431 1.00 0.00 O ATOM 539 CB GLN A 34 3.896 2.160 3.521 1.00 0.00 C ATOM 540 CG GLN A 34 3.997 3.098 2.328 1.00 0.00 C ATOM 541 CD GLN A 34 2.995 2.762 1.241 1.00 0.00 C ATOM 542 OE1 GLN A 34 3.077 1.708 0.610 1.00 0.00 O ATOM 543 NE2 GLN A 34 2.040 3.656 1.016 1.00 0.00 N ATOM 0 H GLN A 34 4.178 0.455 5.335 1.00 0.00 H new ATOM 0 HA GLN A 34 5.975 1.597 3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.394 1.244 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.269 2.623 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.837 4.123 2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.005 3.050 1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.009 4.517 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.338 3.482 0.297 1.00 0.00 H new ATOM 552 N GLY A 35 5.951 2.756 6.275 1.00 0.00 N ATOM 553 CA GLY A 35 6.446 3.810 7.150 1.00 0.00 C ATOM 554 C GLY A 35 5.467 4.957 7.175 1.00 0.00 C ATOM 555 O GLY A 35 5.840 6.130 7.163 1.00 0.00 O ATOM 0 H GLY A 35 5.738 1.875 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.589 3.421 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.418 4.158 6.801 1.00 0.00 H new ATOM 559 N VAL A 36 4.202 4.580 7.145 1.00 0.00 N ATOM 560 CA VAL A 36 3.091 5.508 7.095 1.00 0.00 C ATOM 561 C VAL A 36 1.979 5.024 8.034 1.00 0.00 C ATOM 562 O VAL A 36 2.176 4.045 8.753 1.00 0.00 O ATOM 563 CB VAL A 36 2.591 5.602 5.636 1.00 0.00 C ATOM 564 CG1 VAL A 36 3.764 5.529 4.672 1.00 0.00 C ATOM 565 CG2 VAL A 36 1.604 4.486 5.329 1.00 0.00 C ATOM 0 H VAL A 36 3.914 3.601 7.155 1.00 0.00 H new ATOM 0 HA VAL A 36 3.403 6.499 7.424 1.00 0.00 H new ATOM 0 HB VAL A 36 2.084 6.559 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.398 5.596 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.448 6.355 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.289 4.583 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.266 4.573 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.090 3.521 5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.748 4.563 5.999 1.00 0.00 H new ATOM 575 N PRO A 37 0.781 5.645 8.022 1.00 0.00 N ATOM 576 CA PRO A 37 -0.344 5.197 8.849 1.00 0.00 C ATOM 577 C PRO A 37 -0.746 3.827 8.423 1.00 0.00 C ATOM 578 O PRO A 37 0.093 3.041 8.020 1.00 0.00 O ATOM 579 CB PRO A 37 -1.462 6.150 8.495 1.00 0.00 C ATOM 580 CG PRO A 37 -1.133 6.485 7.111 1.00 0.00 C ATOM 581 CD PRO A 37 0.344 6.758 7.158 1.00 0.00 C ATOM 0 HA PRO A 37 -0.106 5.181 9.913 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.443 5.682 8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.471 7.029 9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.368 5.665 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.691 7.355 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.806 6.726 6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.574 7.734 7.586 1.00 0.00 H new ATOM 589 N ALA A 38 -2.026 3.542 8.529 1.00 0.00 N ATOM 590 CA ALA A 38 -2.551 2.276 8.148 1.00 0.00 C ATOM 591 C ALA A 38 -3.396 2.357 6.858 1.00 0.00 C ATOM 592 O ALA A 38 -2.951 1.956 5.784 1.00 0.00 O ATOM 593 CB ALA A 38 -3.373 1.823 9.304 1.00 0.00 C ATOM 0 H ALA A 38 -2.724 4.195 8.885 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.749 1.575 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.810 0.850 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.742 1.742 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.169 2.544 9.490 1.00 0.00 H new ATOM 599 N ASP A 39 -4.638 2.845 6.999 1.00 0.00 N ATOM 600 CA ASP A 39 -5.596 2.948 5.888 1.00 0.00 C ATOM 601 C ASP A 39 -5.911 4.395 5.510 1.00 0.00 C ATOM 602 O ASP A 39 -7.047 4.715 5.158 1.00 0.00 O ATOM 603 CB ASP A 39 -6.893 2.224 6.250 1.00 0.00 C ATOM 604 CG ASP A 39 -7.856 2.148 5.083 1.00 0.00 C ATOM 605 OD1 ASP A 39 -7.417 1.781 3.974 1.00 0.00 O ATOM 606 OD2 ASP A 39 -9.050 2.461 5.278 1.00 0.00 O ATOM 0 H ASP A 39 -5.007 3.180 7.889 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.128 2.480 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.660 1.216 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.374 2.739 7.082 1.00 0.00 H new ATOM 611 N GLN A 40 -4.932 5.273 5.618 1.00 0.00 N ATOM 612 CA GLN A 40 -5.140 6.689 5.322 1.00 0.00 C ATOM 613 C GLN A 40 -5.901 6.921 4.009 1.00 0.00 C ATOM 614 O GLN A 40 -7.052 7.360 4.027 1.00 0.00 O ATOM 615 CB GLN A 40 -3.791 7.399 5.261 1.00 0.00 C ATOM 616 CG GLN A 40 -3.890 8.875 4.907 1.00 0.00 C ATOM 617 CD GLN A 40 -4.612 9.682 5.967 1.00 0.00 C ATOM 618 OE1 GLN A 40 -5.753 10.100 5.775 1.00 0.00 O ATOM 619 NE2 GLN A 40 -3.948 9.905 7.095 1.00 0.00 N ATOM 0 H GLN A 40 -3.983 5.037 5.908 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.755 7.097 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.294 7.299 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.161 6.900 4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.887 9.279 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.412 8.982 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.003 9.539 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.383 10.442 7.845 1.00 0.00 H new ATOM 628 N LEU A 41 -5.256 6.661 2.876 1.00 0.00 N ATOM 629 CA LEU A 41 -5.872 6.880 1.574 1.00 0.00 C ATOM 630 C LEU A 41 -6.626 5.634 1.065 1.00 0.00 C ATOM 631 O LEU A 41 -7.328 4.980 1.836 1.00 0.00 O ATOM 632 CB LEU A 41 -4.780 7.326 0.604 1.00 0.00 C ATOM 633 CG LEU A 41 -5.130 8.509 -0.292 1.00 0.00 C ATOM 634 CD1 LEU A 41 -5.756 9.640 0.517 1.00 0.00 C ATOM 635 CD2 LEU A 41 -3.883 8.990 -1.010 1.00 0.00 C ATOM 0 H LEU A 41 -4.304 6.297 2.835 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.631 7.658 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.891 7.582 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.516 6.480 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.864 8.185 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.996 10.472 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.667 9.283 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.052 9.975 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.135 9.836 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.138 9.299 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.479 8.181 -1.619 1.00 0.00 H new ATOM 647 N ARG A 42 -6.505 5.316 -0.236 1.00 0.00 N ATOM 648 CA ARG A 42 -7.208 4.165 -0.817 1.00 0.00 C ATOM 649 C ARG A 42 -6.255 3.056 -1.261 1.00 0.00 C ATOM 650 O ARG A 42 -5.235 3.306 -1.900 1.00 0.00 O ATOM 651 CB ARG A 42 -8.037 4.611 -2.018 1.00 0.00 C ATOM 652 CG ARG A 42 -9.378 5.222 -1.641 1.00 0.00 C ATOM 653 CD ARG A 42 -9.454 6.692 -2.025 1.00 0.00 C ATOM 654 NE ARG A 42 -10.007 6.881 -3.364 1.00 0.00 N ATOM 655 CZ ARG A 42 -10.538 8.023 -3.794 1.00 0.00 C ATOM 656 NH1 ARG A 42 -10.586 9.084 -2.996 1.00 0.00 N ATOM 657 NH2 ARG A 42 -11.021 8.107 -5.027 1.00 0.00 N ATOM 0 H ARG A 42 -5.931 5.837 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.850 3.763 -0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.465 5.339 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.208 3.754 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.180 4.674 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.537 5.117 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.070 7.224 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.457 7.130 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.985 6.090 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.215 9.026 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.994 9.956 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.985 7.296 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.428 8.982 -5.357 1.00 0.00 H new ATOM 671 N VAL A 43 -6.607 1.821 -0.933 1.00 0.00 N ATOM 672 CA VAL A 43 -5.791 0.673 -1.304 1.00 0.00 C ATOM 673 C VAL A 43 -6.389 -0.063 -2.512 1.00 0.00 C ATOM 674 O VAL A 43 -7.615 -0.155 -2.666 1.00 0.00 O ATOM 675 CB VAL A 43 -5.613 -0.268 -0.101 1.00 0.00 C ATOM 676 CG1 VAL A 43 -4.426 -1.186 -0.304 1.00 0.00 C ATOM 677 CG2 VAL A 43 -5.438 0.550 1.171 1.00 0.00 C ATOM 0 H VAL A 43 -7.452 1.588 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.805 1.031 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.505 -0.887 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.321 -1.842 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.581 -1.788 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.521 -0.590 -0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.312 -0.121 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.557 1.185 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.319 1.172 1.327 1.00 0.00 H new ATOM 687 N ILE A 44 -5.514 -0.540 -3.401 1.00 0.00 N ATOM 688 CA ILE A 44 -5.961 -1.203 -4.624 1.00 0.00 C ATOM 689 C ILE A 44 -5.140 -2.446 -4.962 1.00 0.00 C ATOM 690 O ILE A 44 -4.017 -2.602 -4.506 1.00 0.00 O ATOM 691 CB ILE A 44 -5.872 -0.227 -5.816 1.00 0.00 C ATOM 692 CG1 ILE A 44 -6.427 1.146 -5.430 1.00 0.00 C ATOM 693 CG2 ILE A 44 -6.609 -0.782 -7.020 1.00 0.00 C ATOM 694 CD1 ILE A 44 -5.428 2.021 -4.702 1.00 0.00 C ATOM 0 H ILE A 44 -4.501 -0.479 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.990 -1.514 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.822 -0.110 -6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.759 1.661 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.305 1.009 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.534 -0.078 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.165 -1.734 -7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.658 -0.933 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.891 2.978 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.114 1.527 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.559 2.189 -5.339 1.00 0.00 H new ATOM 706 N PHE A 45 -5.712 -3.300 -5.806 1.00 0.00 N ATOM 707 CA PHE A 45 -5.049 -4.513 -6.274 1.00 0.00 C ATOM 708 C PHE A 45 -5.284 -4.649 -7.768 1.00 0.00 C ATOM 709 O PHE A 45 -6.270 -4.127 -8.286 1.00 0.00 O ATOM 710 CB PHE A 45 -5.547 -5.747 -5.511 1.00 0.00 C ATOM 711 CG PHE A 45 -5.339 -7.054 -6.232 1.00 0.00 C ATOM 712 CD1 PHE A 45 -4.091 -7.493 -6.603 1.00 0.00 C ATOM 713 CD2 PHE A 45 -6.413 -7.819 -6.550 1.00 0.00 C ATOM 714 CE1 PHE A 45 -3.923 -8.673 -7.288 1.00 0.00 C ATOM 715 CE2 PHE A 45 -6.274 -9.008 -7.229 1.00 0.00 C ATOM 716 CZ PHE A 45 -5.020 -9.438 -7.606 1.00 0.00 C ATOM 0 H PHE A 45 -6.650 -3.170 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.978 -4.441 -6.084 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.038 -5.793 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.610 -5.626 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.225 -6.899 -6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.400 -7.487 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.934 -8.998 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.144 -9.602 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.900 -10.366 -8.145 1.00 0.00 H new ATOM 726 N ALA A 46 -4.403 -5.365 -8.463 1.00 0.00 N ATOM 727 CA ALA A 46 -4.550 -5.570 -9.897 1.00 0.00 C ATOM 728 C ALA A 46 -5.017 -4.295 -10.603 1.00 0.00 C ATOM 729 O ALA A 46 -5.680 -4.355 -11.637 1.00 0.00 O ATOM 730 CB ALA A 46 -5.518 -6.714 -10.143 1.00 0.00 C ATOM 0 H ALA A 46 -3.582 -5.811 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.576 -5.825 -10.315 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.631 -6.871 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.132 -7.623 -9.682 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.487 -6.470 -9.708 1.00 0.00 H new ATOM 736 N GLY A 47 -4.663 -3.144 -10.034 1.00 0.00 N ATOM 737 CA GLY A 47 -5.055 -1.869 -10.616 1.00 0.00 C ATOM 738 C GLY A 47 -6.518 -1.527 -10.402 1.00 0.00 C ATOM 739 O GLY A 47 -6.938 -0.403 -10.679 1.00 0.00 O ATOM 0 H GLY A 47 -4.111 -3.071 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.439 -1.079 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.848 -1.889 -11.686 1.00 0.00 H new ATOM 743 N LYS A 48 -7.302 -2.482 -9.915 1.00 0.00 N ATOM 744 CA LYS A 48 -8.716 -2.248 -9.680 1.00 0.00 C ATOM 745 C LYS A 48 -9.001 -2.103 -8.191 1.00 0.00 C ATOM 746 O LYS A 48 -8.913 -3.070 -7.433 1.00 0.00 O ATOM 747 CB LYS A 48 -9.543 -3.397 -10.259 1.00 0.00 C ATOM 748 CG LYS A 48 -9.139 -3.789 -11.671 1.00 0.00 C ATOM 749 CD LYS A 48 -9.343 -5.276 -11.914 1.00 0.00 C ATOM 750 CE LYS A 48 -8.253 -6.104 -11.253 1.00 0.00 C ATOM 751 NZ LYS A 48 -8.453 -7.564 -11.469 1.00 0.00 N ATOM 0 H LYS A 48 -6.981 -3.421 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.995 -1.319 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.447 -4.266 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.595 -3.113 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.725 -3.217 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.093 -3.532 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.316 -5.579 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.351 -5.473 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.282 -5.808 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.237 -5.895 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.688 -8.092 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.368 -7.852 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.443 -7.769 -12.489 1.00 0.00 H new ATOM 765 N GLU A 49 -9.344 -0.888 -7.778 1.00 0.00 N ATOM 766 CA GLU A 49 -9.647 -0.609 -6.374 1.00 0.00 C ATOM 767 C GLU A 49 -11.018 -1.164 -6.011 1.00 0.00 C ATOM 768 O GLU A 49 -12.001 -0.899 -6.699 1.00 0.00 O ATOM 769 CB GLU A 49 -9.609 0.897 -6.112 1.00 0.00 C ATOM 770 CG GLU A 49 -9.737 1.263 -4.641 1.00 0.00 C ATOM 771 CD GLU A 49 -11.096 1.841 -4.299 1.00 0.00 C ATOM 772 OE1 GLU A 49 -11.448 2.902 -4.856 1.00 0.00 O ATOM 773 OE2 GLU A 49 -11.808 1.233 -3.474 1.00 0.00 O ATOM 0 H GLU A 49 -9.420 -0.078 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.893 -1.094 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.673 1.301 -6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.416 1.374 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.561 0.376 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.963 1.986 -4.382 1.00 0.00 H new ATOM 780 N LEU A 50 -11.073 -1.952 -4.939 1.00 0.00 N ATOM 781 CA LEU A 50 -12.328 -2.564 -4.511 1.00 0.00 C ATOM 782 C LEU A 50 -12.375 -2.780 -2.992 1.00 0.00 C ATOM 783 O LEU A 50 -11.585 -2.198 -2.249 1.00 0.00 O ATOM 784 CB LEU A 50 -12.530 -3.892 -5.252 1.00 0.00 C ATOM 785 CG LEU A 50 -13.140 -3.790 -6.656 1.00 0.00 C ATOM 786 CD1 LEU A 50 -14.271 -2.774 -6.692 1.00 0.00 C ATOM 787 CD2 LEU A 50 -12.068 -3.442 -7.680 1.00 0.00 C ATOM 0 H LEU A 50 -10.269 -2.180 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.140 -1.880 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.565 -4.392 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.170 -4.531 -4.644 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.559 -4.763 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.683 -2.724 -7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.053 -3.075 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.889 -1.794 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.519 -3.374 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.615 -2.485 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.302 -4.218 -7.683 1.00 0.00 H new ATOM 799 N ARG A 51 -13.319 -3.613 -2.542 1.00 0.00 N ATOM 800 CA ARG A 51 -13.490 -3.900 -1.118 1.00 0.00 C ATOM 801 C ARG A 51 -12.987 -5.294 -0.721 1.00 0.00 C ATOM 802 O ARG A 51 -12.563 -6.089 -1.555 1.00 0.00 O ATOM 803 CB ARG A 51 -14.960 -3.750 -0.720 1.00 0.00 C ATOM 804 CG ARG A 51 -15.931 -4.388 -1.699 1.00 0.00 C ATOM 805 CD ARG A 51 -17.345 -4.403 -1.141 1.00 0.00 C ATOM 806 NE ARG A 51 -17.524 -5.455 -0.141 1.00 0.00 N ATOM 807 CZ ARG A 51 -18.451 -5.423 0.815 1.00 0.00 C ATOM 808 NH1 ARG A 51 -19.293 -4.400 0.903 1.00 0.00 N ATOM 809 NH2 ARG A 51 -18.538 -6.421 1.684 1.00 0.00 N ATOM 0 H ARG A 51 -13.978 -4.101 -3.148 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.880 -3.174 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.107 -4.195 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.195 -2.690 -0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.915 -3.839 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.613 -5.407 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -17.569 -3.435 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.055 -4.551 -1.955 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.901 -6.262 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.233 -3.631 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -20.000 -4.383 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.896 -7.211 1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -19.247 -6.399 2.417 1.00 0.00 H new ATOM 823 N ASN A 52 -13.044 -5.556 0.584 1.00 0.00 N ATOM 824 CA ASN A 52 -12.611 -6.814 1.181 1.00 0.00 C ATOM 825 C ASN A 52 -13.148 -8.033 0.439 1.00 0.00 C ATOM 826 O ASN A 52 -12.614 -9.124 0.587 1.00 0.00 O ATOM 827 CB ASN A 52 -13.064 -6.874 2.642 1.00 0.00 C ATOM 828 CG ASN A 52 -14.575 -6.894 2.780 1.00 0.00 C ATOM 829 OD1 ASN A 52 -15.221 -5.847 2.807 1.00 0.00 O ATOM 830 ND2 ASN A 52 -15.145 -8.090 2.867 1.00 0.00 N ATOM 0 H ASN A 52 -13.399 -4.886 1.266 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.523 -6.842 1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.647 -7.765 3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.664 -6.014 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.158 -8.167 2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.570 -8.932 2.840 1.00 0.00 H new ATOM 837 N ASP A 53 -14.208 -7.865 -0.338 1.00 0.00 N ATOM 838 CA ASP A 53 -14.782 -8.985 -1.075 1.00 0.00 C ATOM 839 C ASP A 53 -14.638 -8.792 -2.585 1.00 0.00 C ATOM 840 O ASP A 53 -14.801 -9.738 -3.356 1.00 0.00 O ATOM 841 CB ASP A 53 -16.259 -9.151 -0.711 1.00 0.00 C ATOM 842 CG ASP A 53 -16.527 -10.440 0.040 1.00 0.00 C ATOM 843 OD1 ASP A 53 -16.697 -11.487 -0.618 1.00 0.00 O ATOM 844 OD2 ASP A 53 -16.568 -10.402 1.289 1.00 0.00 O ATOM 0 H ASP A 53 -14.685 -6.974 -0.475 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.235 -9.885 -0.795 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.578 -8.305 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.859 -9.132 -1.621 1.00 0.00 H new ATOM 849 N TRP A 54 -14.361 -7.560 -3.002 1.00 0.00 N ATOM 850 CA TRP A 54 -14.231 -7.248 -4.421 1.00 0.00 C ATOM 851 C TRP A 54 -12.792 -6.969 -4.858 1.00 0.00 C ATOM 852 O TRP A 54 -12.494 -7.043 -6.047 1.00 0.00 O ATOM 853 CB TRP A 54 -15.099 -6.049 -4.759 1.00 0.00 C ATOM 854 CG TRP A 54 -16.377 -6.408 -5.453 1.00 0.00 C ATOM 855 CD1 TRP A 54 -16.554 -6.606 -6.792 1.00 0.00 C ATOM 856 CD2 TRP A 54 -17.658 -6.612 -4.845 1.00 0.00 C ATOM 857 NE1 TRP A 54 -17.865 -6.919 -7.055 1.00 0.00 N ATOM 858 CE2 TRP A 54 -18.563 -6.930 -5.876 1.00 0.00 C ATOM 859 CE3 TRP A 54 -18.128 -6.558 -3.530 1.00 0.00 C ATOM 860 CZ2 TRP A 54 -19.909 -7.190 -5.631 1.00 0.00 C ATOM 861 CZ3 TRP A 54 -19.464 -6.817 -3.288 1.00 0.00 C ATOM 862 CH2 TRP A 54 -20.341 -7.130 -4.334 1.00 0.00 C ATOM 0 H TRP A 54 -14.223 -6.764 -2.379 1.00 0.00 H new ATOM 0 HA TRP A 54 -14.558 -8.135 -4.964 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -15.333 -5.511 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -14.531 -5.367 -5.392 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -15.776 -6.528 -7.537 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -18.255 -7.112 -7.977 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -17.459 -6.318 -2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -20.588 -7.430 -6.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -19.838 -6.777 -2.276 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -21.379 -7.328 -4.113 1.00 0.00 H new ATOM 873 N THR A 55 -11.909 -6.629 -3.916 1.00 0.00 N ATOM 874 CA THR A 55 -10.507 -6.337 -4.260 1.00 0.00 C ATOM 875 C THR A 55 -9.543 -7.445 -3.837 1.00 0.00 C ATOM 876 O THR A 55 -8.454 -7.569 -4.392 1.00 0.00 O ATOM 877 CB THR A 55 -10.045 -5.031 -3.610 1.00 0.00 C ATOM 878 OG1 THR A 55 -9.740 -4.058 -4.594 1.00 0.00 O ATOM 879 CG2 THR A 55 -8.809 -5.200 -2.753 1.00 0.00 C ATOM 0 H THR A 55 -12.130 -6.549 -2.924 1.00 0.00 H new ATOM 0 HA THR A 55 -10.485 -6.256 -5.347 1.00 0.00 H new ATOM 0 HB THR A 55 -10.876 -4.714 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.938 -3.562 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.532 -4.239 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.015 -5.912 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.989 -5.571 -3.367 1.00 0.00 H new ATOM 887 N VAL A 56 -9.906 -8.182 -2.800 1.00 0.00 N ATOM 888 CA VAL A 56 -9.012 -9.205 -2.241 1.00 0.00 C ATOM 889 C VAL A 56 -8.997 -10.529 -3.027 1.00 0.00 C ATOM 890 O VAL A 56 -9.066 -10.527 -4.247 1.00 0.00 O ATOM 891 CB VAL A 56 -9.491 -9.451 -0.799 1.00 0.00 C ATOM 892 CG1 VAL A 56 -9.915 -8.141 -0.178 1.00 0.00 C ATOM 893 CG2 VAL A 56 -10.675 -10.379 -0.760 1.00 0.00 C ATOM 0 H VAL A 56 -10.805 -8.099 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.986 -8.840 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.663 -9.901 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.254 -8.315 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.070 -7.453 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.728 -7.708 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.985 -10.529 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.498 -9.943 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.400 -11.338 -1.200 1.00 0.00 H new ATOM 903 N GLN A 57 -8.948 -11.662 -2.317 1.00 0.00 N ATOM 904 CA GLN A 57 -8.971 -12.966 -2.953 1.00 0.00 C ATOM 905 C GLN A 57 -10.315 -13.152 -3.619 1.00 0.00 C ATOM 906 O GLN A 57 -10.404 -13.605 -4.760 1.00 0.00 O ATOM 907 CB GLN A 57 -8.722 -14.075 -1.929 1.00 0.00 C ATOM 908 CG GLN A 57 -7.620 -13.748 -0.934 1.00 0.00 C ATOM 909 CD GLN A 57 -8.126 -13.671 0.495 1.00 0.00 C ATOM 910 OE1 GLN A 57 -9.148 -13.044 0.771 1.00 0.00 O ATOM 911 NE2 GLN A 57 -7.408 -14.310 1.412 1.00 0.00 N ATOM 0 H GLN A 57 -8.892 -11.692 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.177 -13.023 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.646 -14.269 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.463 -14.993 -2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.840 -14.507 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.162 -12.797 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.567 -14.818 1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.698 -14.293 2.390 1.00 0.00 H new ATOM 920 N ASN A 58 -11.364 -12.750 -2.907 1.00 0.00 N ATOM 921 CA ASN A 58 -12.710 -12.826 -3.448 1.00 0.00 C ATOM 922 C ASN A 58 -12.783 -11.988 -4.719 1.00 0.00 C ATOM 923 O ASN A 58 -13.717 -12.106 -5.511 1.00 0.00 O ATOM 924 CB ASN A 58 -13.735 -12.334 -2.424 1.00 0.00 C ATOM 925 CG ASN A 58 -14.124 -13.412 -1.431 1.00 0.00 C ATOM 926 OD1 ASN A 58 -15.258 -13.888 -1.427 1.00 0.00 O ATOM 927 ND2 ASN A 58 -13.179 -13.803 -0.582 1.00 0.00 N ATOM 0 H ASN A 58 -11.305 -12.372 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.945 -13.864 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.325 -11.479 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.627 -11.985 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.381 -14.526 0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.251 -13.380 -0.621 1.00 0.00 H new ATOM 934 N CYS A 59 -11.759 -11.156 -4.910 1.00 0.00 N ATOM 935 CA CYS A 59 -11.661 -10.313 -6.081 1.00 0.00 C ATOM 936 C CYS A 59 -11.024 -11.109 -7.226 1.00 0.00 C ATOM 937 O CYS A 59 -11.709 -11.562 -8.144 1.00 0.00 O ATOM 938 CB CYS A 59 -10.784 -9.109 -5.720 1.00 0.00 C ATOM 939 SG CYS A 59 -10.229 -8.124 -7.137 1.00 0.00 S ATOM 0 H CYS A 59 -10.983 -11.054 -4.256 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.646 -9.974 -6.401 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.340 -8.463 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.908 -9.464 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.028 -7.112 -7.301 1.00 0.00 H new ATOM 945 N ASP A 60 -9.716 -11.327 -7.113 1.00 0.00 N ATOM 946 CA ASP A 60 -8.963 -12.133 -8.075 1.00 0.00 C ATOM 947 C ASP A 60 -7.552 -12.382 -7.544 1.00 0.00 C ATOM 948 O ASP A 60 -6.634 -11.638 -7.881 1.00 0.00 O ATOM 949 CB ASP A 60 -8.904 -11.431 -9.434 1.00 0.00 C ATOM 950 CG ASP A 60 -9.127 -12.388 -10.588 1.00 0.00 C ATOM 951 OD1 ASP A 60 -8.167 -13.091 -10.970 1.00 0.00 O ATOM 952 OD2 ASP A 60 -10.260 -12.437 -11.110 1.00 0.00 O ATOM 0 H ASP A 60 -9.148 -10.951 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.469 -13.089 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.658 -10.644 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.934 -10.948 -9.549 1.00 0.00 H new ATOM 957 N LEU A 61 -7.365 -13.394 -6.701 1.00 0.00 N ATOM 958 CA LEU A 61 -6.043 -13.650 -6.133 1.00 0.00 C ATOM 959 C LEU A 61 -5.476 -15.019 -6.474 1.00 0.00 C ATOM 960 O LEU A 61 -6.200 -15.972 -6.759 1.00 0.00 O ATOM 961 CB LEU A 61 -6.075 -13.482 -4.615 1.00 0.00 C ATOM 962 CG LEU A 61 -6.001 -12.034 -4.115 1.00 0.00 C ATOM 963 CD1 LEU A 61 -4.564 -11.610 -3.944 1.00 0.00 C ATOM 964 CD2 LEU A 61 -6.685 -11.088 -5.076 1.00 0.00 C ATOM 0 H LEU A 61 -8.096 -14.039 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.381 -12.913 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.991 -13.934 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.243 -14.040 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.514 -11.992 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.528 -10.580 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.076 -12.261 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.047 -11.682 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.616 -10.069 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.199 -11.144 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.734 -11.367 -5.177 1.00 0.00 H new ATOM 976 N ASP A 62 -4.154 -15.085 -6.395 1.00 0.00 N ATOM 977 CA ASP A 62 -3.402 -16.307 -6.641 1.00 0.00 C ATOM 978 C ASP A 62 -2.366 -16.476 -5.533 1.00 0.00 C ATOM 979 O ASP A 62 -2.293 -15.647 -4.625 1.00 0.00 O ATOM 980 CB ASP A 62 -2.715 -16.256 -8.008 1.00 0.00 C ATOM 981 CG ASP A 62 -3.389 -17.156 -9.027 1.00 0.00 C ATOM 982 OD1 ASP A 62 -3.981 -18.176 -8.618 1.00 0.00 O ATOM 983 OD2 ASP A 62 -3.321 -16.841 -10.233 1.00 0.00 O ATOM 0 H ASP A 62 -3.569 -14.285 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.084 -17.157 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.718 -15.230 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.672 -16.552 -7.899 1.00 0.00 H new ATOM 988 N GLN A 63 -1.560 -17.530 -5.598 1.00 0.00 N ATOM 989 CA GLN A 63 -0.542 -17.740 -4.571 1.00 0.00 C ATOM 990 C GLN A 63 0.450 -16.585 -4.594 1.00 0.00 C ATOM 991 O GLN A 63 0.939 -16.146 -3.553 1.00 0.00 O ATOM 992 CB GLN A 63 0.204 -19.064 -4.766 1.00 0.00 C ATOM 993 CG GLN A 63 -0.568 -20.113 -5.555 1.00 0.00 C ATOM 994 CD GLN A 63 -0.233 -20.093 -7.033 1.00 0.00 C ATOM 995 OE1 GLN A 63 0.924 -20.246 -7.422 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.250 -19.903 -7.867 1.00 0.00 N ATOM 0 H GLN A 63 -1.587 -18.238 -6.332 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.046 -17.784 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.146 -18.864 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.453 -19.474 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.349 -21.101 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.637 -19.945 -5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.194 -19.781 -7.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.087 -19.880 -8.874 1.00 0.00 H new ATOM 1005 N GLN A 64 0.700 -16.065 -5.792 1.00 0.00 N ATOM 1006 CA GLN A 64 1.579 -14.919 -5.963 1.00 0.00 C ATOM 1007 C GLN A 64 0.827 -13.818 -6.700 1.00 0.00 C ATOM 1008 O GLN A 64 0.815 -13.786 -7.931 1.00 0.00 O ATOM 1009 CB GLN A 64 2.836 -15.317 -6.741 1.00 0.00 C ATOM 1010 CG GLN A 64 4.114 -14.711 -6.185 1.00 0.00 C ATOM 1011 CD GLN A 64 5.362 -15.340 -6.774 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.771 -15.009 -7.886 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.972 -16.253 -6.029 1.00 0.00 N ATOM 0 H GLN A 64 0.303 -16.423 -6.661 1.00 0.00 H new ATOM 0 HA GLN A 64 1.889 -14.555 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.927 -16.403 -6.736 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.721 -15.011 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.122 -13.640 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.128 -14.831 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.597 -16.496 -5.112 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.816 -16.711 -6.373 1.00 0.00 H new ATOM 1022 N SER A 65 0.192 -12.922 -5.954 1.00 0.00 N ATOM 1023 CA SER A 65 -0.567 -11.836 -6.561 1.00 0.00 C ATOM 1024 C SER A 65 0.202 -10.523 -6.510 1.00 0.00 C ATOM 1025 O SER A 65 1.219 -10.413 -5.829 1.00 0.00 O ATOM 1026 CB SER A 65 -1.919 -11.676 -5.858 1.00 0.00 C ATOM 1027 OG SER A 65 -1.974 -12.451 -4.673 1.00 0.00 O ATOM 0 H SER A 65 0.187 -12.926 -4.934 1.00 0.00 H new ATOM 0 HA SER A 65 -0.732 -12.091 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.085 -10.626 -5.617 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.721 -11.979 -6.532 1.00 0.00 H new ATOM 0 HG SER A 65 -2.075 -13.398 -4.906 1.00 0.00 H new ATOM 1033 N ILE A 66 -0.310 -9.517 -7.210 1.00 0.00 N ATOM 1034 CA ILE A 66 0.303 -8.199 -7.202 1.00 0.00 C ATOM 1035 C ILE A 66 -0.773 -7.162 -6.920 1.00 0.00 C ATOM 1036 O ILE A 66 -1.720 -7.019 -7.691 1.00 0.00 O ATOM 1037 CB ILE A 66 1.022 -7.882 -8.529 1.00 0.00 C ATOM 1038 CG1 ILE A 66 0.015 -7.709 -9.671 1.00 0.00 C ATOM 1039 CG2 ILE A 66 2.020 -8.981 -8.859 1.00 0.00 C ATOM 1040 CD1 ILE A 66 -0.315 -6.264 -9.970 1.00 0.00 C ATOM 0 H ILE A 66 -1.147 -9.591 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 66 1.063 -8.177 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 66 1.561 -6.942 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.415 -8.176 -10.571 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.904 -8.238 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.522 -8.747 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.759 -9.053 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.496 -9.932 -8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.033 -6.217 -10.789 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.744 -5.798 -9.083 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.594 -5.734 -10.254 1.00 0.00 H new ATOM 1052 N VAL A 67 -0.637 -6.459 -5.801 1.00 0.00 N ATOM 1053 CA VAL A 67 -1.611 -5.464 -5.392 1.00 0.00 C ATOM 1054 C VAL A 67 -1.006 -4.067 -5.363 1.00 0.00 C ATOM 1055 O VAL A 67 0.150 -3.883 -4.982 1.00 0.00 O ATOM 1056 CB VAL A 67 -2.182 -5.827 -4.002 1.00 0.00 C ATOM 1057 CG1 VAL A 67 -3.223 -4.825 -3.555 1.00 0.00 C ATOM 1058 CG2 VAL A 67 -2.783 -7.224 -4.023 1.00 0.00 C ATOM 0 H VAL A 67 0.148 -6.565 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.417 -5.461 -6.126 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.358 -5.803 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.604 -5.109 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.773 -3.834 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.044 -4.808 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.180 -7.464 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.587 -7.263 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.013 -7.948 -4.290 1.00 0.00 H new ATOM 1068 N HIS A 68 -1.805 -3.086 -5.761 1.00 0.00 N ATOM 1069 CA HIS A 68 -1.356 -1.689 -5.775 1.00 0.00 C ATOM 1070 C HIS A 68 -2.011 -0.917 -4.635 1.00 0.00 C ATOM 1071 O HIS A 68 -3.205 -0.634 -4.673 1.00 0.00 O ATOM 1072 CB HIS A 68 -1.696 -1.031 -7.113 1.00 0.00 C ATOM 1073 CG HIS A 68 -1.066 0.315 -7.295 1.00 0.00 C ATOM 1074 ND1 HIS A 68 -1.501 1.446 -6.636 1.00 0.00 N ATOM 1075 CD2 HIS A 68 -0.025 0.709 -8.067 1.00 0.00 C ATOM 1076 CE1 HIS A 68 -0.756 2.477 -6.995 1.00 0.00 C ATOM 1077 NE2 HIS A 68 0.146 2.056 -7.861 1.00 0.00 N ATOM 0 H HIS A 68 -2.764 -3.225 -6.078 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.274 -1.672 -5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.375 -1.686 -7.923 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.778 -0.931 -7.195 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.561 0.081 -8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.867 3.491 -6.640 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.856 2.637 -8.306 1.00 0.00 H new ATOM 1086 N ILE A 69 -1.234 -0.578 -3.615 1.00 0.00 N ATOM 1087 CA ILE A 69 -1.779 0.140 -2.472 1.00 0.00 C ATOM 1088 C ILE A 69 -1.488 1.625 -2.495 1.00 0.00 C ATOM 1089 O ILE A 69 -0.367 2.053 -2.760 1.00 0.00 O ATOM 1090 CB ILE A 69 -1.227 -0.392 -1.142 1.00 0.00 C ATOM 1091 CG1 ILE A 69 -1.648 -1.846 -0.912 1.00 0.00 C ATOM 1092 CG2 ILE A 69 -1.701 0.511 -0.008 1.00 0.00 C ATOM 1093 CD1 ILE A 69 -0.511 -2.834 -1.060 1.00 0.00 C ATOM 0 H ILE A 69 -0.237 -0.785 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.854 -0.024 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.138 -0.379 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.072 -1.939 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.437 -2.104 -1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.313 0.139 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.339 1.526 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.791 0.515 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.881 -3.844 -0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.101 -2.769 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.269 -2.602 -0.335 1.00 0.00 H new ATOM 1105 N VAL A 70 -2.496 2.403 -2.125 1.00 0.00 N ATOM 1106 CA VAL A 70 -2.333 3.825 -2.011 1.00 0.00 C ATOM 1107 C VAL A 70 -3.112 4.320 -0.803 1.00 0.00 C ATOM 1108 O VAL A 70 -4.138 4.974 -0.949 1.00 0.00 O ATOM 1109 CB VAL A 70 -2.827 4.553 -3.276 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -2.597 6.052 -3.161 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -2.144 3.995 -4.516 1.00 0.00 C ATOM 0 H VAL A 70 -3.431 2.063 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.271 4.041 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.899 4.382 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.953 6.545 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.140 6.438 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.532 6.248 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.506 4.522 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.066 4.130 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.370 2.933 -4.609 1.00 0.00 H new ATOM 1121 N GLN A 71 -2.591 4.053 0.395 1.00 0.00 N ATOM 1122 CA GLN A 71 -3.227 4.527 1.614 1.00 0.00 C ATOM 1123 C GLN A 71 -2.230 5.358 2.411 1.00 0.00 C ATOM 1124 O GLN A 71 -1.923 5.070 3.566 1.00 0.00 O ATOM 1125 CB GLN A 71 -3.738 3.354 2.463 1.00 0.00 C ATOM 1126 CG GLN A 71 -2.762 2.187 2.604 1.00 0.00 C ATOM 1127 CD GLN A 71 -1.309 2.617 2.631 1.00 0.00 C ATOM 1128 OE1 GLN A 71 -0.635 2.649 1.603 1.00 0.00 O ATOM 1129 NE2 GLN A 71 -0.825 2.958 3.810 1.00 0.00 N ATOM 0 H GLN A 71 -1.737 3.515 0.542 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.085 5.142 1.345 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.984 3.725 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.664 2.983 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.989 1.642 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.913 1.495 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.420 2.916 4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.145 3.263 3.894 1.00 0.00 H new ATOM 1138 N ARG A 72 -1.743 6.401 1.767 1.00 0.00 N ATOM 1139 CA ARG A 72 -0.775 7.310 2.368 1.00 0.00 C ATOM 1140 C ARG A 72 -1.275 8.753 2.327 1.00 0.00 C ATOM 1141 O ARG A 72 -1.823 9.196 1.319 1.00 0.00 O ATOM 1142 CB ARG A 72 0.570 7.207 1.647 1.00 0.00 C ATOM 1143 CG ARG A 72 0.448 7.052 0.139 1.00 0.00 C ATOM 1144 CD ARG A 72 1.769 6.636 -0.487 1.00 0.00 C ATOM 1145 NE ARG A 72 2.764 7.704 -0.427 1.00 0.00 N ATOM 1146 CZ ARG A 72 4.074 7.504 -0.554 1.00 0.00 C ATOM 1147 NH1 ARG A 72 4.550 6.280 -0.748 1.00 0.00 N ATOM 1148 NH2 ARG A 72 4.910 8.531 -0.486 1.00 0.00 N ATOM 0 H ARG A 72 -2.005 6.646 0.812 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.647 7.020 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.158 8.099 1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.122 6.356 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.315 6.308 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.117 7.994 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.152 5.755 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.604 6.352 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 72 2.436 8.658 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.911 5.487 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.555 6.133 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.549 9.473 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.914 8.379 -0.583 1.00 0.00 H new ATOM 1162 N PRO A 73 -1.087 9.510 3.421 1.00 0.00 N ATOM 1163 CA PRO A 73 -1.519 10.910 3.491 1.00 0.00 C ATOM 1164 C PRO A 73 -0.804 11.783 2.465 1.00 0.00 C ATOM 1165 O PRO A 73 0.315 11.479 2.049 1.00 0.00 O ATOM 1166 CB PRO A 73 -1.145 11.338 4.915 1.00 0.00 C ATOM 1167 CG PRO A 73 -0.102 10.367 5.350 1.00 0.00 C ATOM 1168 CD PRO A 73 -0.433 9.072 4.665 1.00 0.00 C ATOM 0 HA PRO A 73 -2.581 11.019 3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.765 12.359 4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.011 11.309 5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.894 10.713 5.072 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.107 10.248 6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.461 8.482 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.094 8.453 5.271 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.454 12.870 2.062 1.00 0.00 N ATOM 1177 CA TRP A 74 -0.881 13.790 1.087 1.00 0.00 C ATOM 1178 C TRP A 74 -0.447 15.088 1.762 1.00 0.00 C ATOM 1179 O TRP A 74 -1.053 15.517 2.744 1.00 0.00 O ATOM 1180 CB TRP A 74 -1.892 14.086 -0.024 1.00 0.00 C ATOM 1181 CG TRP A 74 -1.382 13.759 -1.395 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -0.979 12.536 -1.850 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -1.220 14.667 -2.490 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -0.576 12.629 -3.160 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -0.715 13.927 -3.575 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -1.452 16.035 -2.658 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -0.440 14.510 -4.811 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -1.180 16.613 -3.885 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -0.678 15.849 -4.947 1.00 0.00 C ATOM 0 H TRP A 74 -2.380 13.135 2.397 1.00 0.00 H new ATOM 0 HA TRP A 74 -0.003 13.318 0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -2.803 13.517 0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.163 15.141 0.013 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -0.977 11.628 -1.265 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -0.230 11.858 -3.730 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.837 16.631 -1.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.053 13.925 -5.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -1.357 17.669 -4.027 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -0.475 16.328 -5.893 1.00 0.00 H new ATOM 1200 N ARG A 75 0.601 15.712 1.233 1.00 0.00 N ATOM 1201 CA ARG A 75 1.104 16.960 1.792 1.00 0.00 C ATOM 1202 C ARG A 75 0.447 18.161 1.120 1.00 0.00 C ATOM 1203 O ARG A 75 0.727 18.468 -0.039 1.00 0.00 O ATOM 1204 CB ARG A 75 2.624 17.040 1.631 1.00 0.00 C ATOM 1205 CG ARG A 75 3.083 17.042 0.182 1.00 0.00 C ATOM 1206 CD ARG A 75 4.367 16.248 0.002 1.00 0.00 C ATOM 1207 NE ARG A 75 4.876 16.332 -1.364 1.00 0.00 N ATOM 1208 CZ ARG A 75 5.975 15.711 -1.785 1.00 0.00 C ATOM 1209 NH1 ARG A 75 6.684 14.960 -0.950 1.00 0.00 N ATOM 1210 NH2 ARG A 75 6.369 15.840 -3.045 1.00 0.00 N ATOM 0 H ARG A 75 1.117 15.374 0.420 1.00 0.00 H new ATOM 0 HA ARG A 75 0.856 16.979 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.986 17.945 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.081 16.195 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.301 16.619 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.239 18.068 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.123 16.620 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.186 15.204 0.258 1.00 0.00 H new ATOM 0 HE ARG A 75 4.359 16.900 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.387 14.857 0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.525 14.487 -1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.829 16.415 -3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.212 15.364 -3.367 1.00 0.00 H new ATOM 1224 N LYS A 76 -0.430 18.837 1.856 1.00 0.00 N ATOM 1225 CA LYS A 76 -1.128 20.003 1.331 1.00 0.00 C ATOM 1226 C LYS A 76 -0.228 21.235 1.363 1.00 0.00 C ATOM 1227 O LYS A 76 1.008 21.060 1.349 1.00 0.00 O ATOM 1228 CB LYS A 76 -2.402 20.268 2.135 1.00 0.00 C ATOM 1229 CG LYS A 76 -2.190 20.243 3.641 1.00 0.00 C ATOM 1230 CD LYS A 76 -2.736 18.966 4.261 1.00 0.00 C ATOM 1231 CE LYS A 76 -3.054 19.151 5.737 1.00 0.00 C ATOM 1232 NZ LYS A 76 -2.334 18.166 6.589 1.00 0.00 N ATOM 0 H LYS A 76 -0.673 18.597 2.817 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.398 19.797 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.806 21.239 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.151 19.521 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.126 20.329 3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.680 21.106 4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.637 18.660 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.008 18.163 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.783 20.162 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.128 19.048 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.578 18.326 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.612 17.202 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.308 18.280 6.461 1.00 0.00 H new TER 1246 LYS A 76