USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 673 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 5 THR OG1 : rot 26:sc= 0.448 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.17 K(o=0.28,f=-1.6) USER MOD Set 2.1: A 44 SER OG : rot 37:sc= 1.39! USER MOD Set 2.2: A 61 SER OG : rot -91:sc= -6.17! USER MOD Set 2.3: A 66 SER OG : rot 150:sc= -0.34 USER MOD Set 2.4: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -4.81! C(o=-5.5!,f=-5.7!) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.722 X(o=-5.5,f=-5.7) USER MOD Set 4.1: A 10 THR OG1 : rot -65:sc= -2.38 USER MOD Set 4.2: A 81 MET CE :methyl -118:sc= -4.59 (180deg=-8.33!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -1.29 (180deg=-1.29) USER MOD Single : A 4 SER OG : rot 122:sc= 0.821 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.543 K(o=-0.54,f=0) USER MOD Single : A 12 SER OG : rot -61:sc= 1.08 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.95! C(o=-4.9!,f=-6!) USER MOD Single : A 21 CYS SG : rot -153:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00792) USER MOD Single : A 23 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.79) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -0.333 (180deg=-1.56!) USER MOD Single : A 33 THR OG1 : rot 39:sc= 0.391 USER MOD Single : A 45 ASN : amide:sc= -3.82! K(o=-3.8!,f=-2.4) USER MOD Single : A 46 CYS SG : rot 89:sc= -2.58! USER MOD Single : A 57 MET CE :methyl -165:sc= -8.07! (180deg=-8.62!) USER MOD Single : A 60 ASN : amide:sc= -1.8 K(o=-1.8,f=-8.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.038) USER MOD Single : A 71 GLN : amide:sc= -1.29! C(o=-1.3!,f=-2.1!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-4.7!) USER MOD Single : A 79 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.489 15.319 -5.701 1.00 0.00 N ATOM 2 CA MET A 1 6.984 14.400 -4.644 1.00 0.00 C ATOM 3 C MET A 1 5.545 14.728 -4.262 1.00 0.00 C ATOM 4 O MET A 1 5.279 15.574 -3.410 1.00 0.00 O ATOM 5 CB MET A 1 7.911 14.489 -3.429 1.00 0.00 C ATOM 6 CG MET A 1 7.913 15.847 -2.746 1.00 0.00 C ATOM 7 SD MET A 1 9.406 16.798 -3.089 1.00 0.00 S ATOM 8 CE MET A 1 9.230 18.138 -1.914 1.00 0.00 C ATOM 0 H1 MET A 1 8.481 15.091 -5.914 1.00 0.00 H new ATOM 0 H2 MET A 1 6.915 15.207 -6.561 1.00 0.00 H new ATOM 0 H3 MET A 1 7.424 16.302 -5.367 1.00 0.00 H new ATOM 0 HA MET A 1 6.983 13.380 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.616 13.730 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.927 14.251 -3.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.042 16.415 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.816 15.707 -1.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.080 18.815 -2.004 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.309 18.683 -2.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.194 17.733 -0.903 1.00 0.00 H new ATOM 17 N PHE A 2 4.620 14.029 -4.902 1.00 0.00 N ATOM 18 CA PHE A 2 3.195 14.212 -4.645 1.00 0.00 C ATOM 19 C PHE A 2 2.708 13.103 -3.716 1.00 0.00 C ATOM 20 O PHE A 2 3.447 12.154 -3.457 1.00 0.00 O ATOM 21 CB PHE A 2 2.398 14.206 -5.958 1.00 0.00 C ATOM 22 CG PHE A 2 3.204 14.572 -7.170 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.738 15.843 -7.305 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.413 13.651 -8.183 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.470 16.187 -8.426 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.139 13.991 -9.307 1.00 0.00 C ATOM 27 CZ PHE A 2 4.669 15.260 -9.429 1.00 0.00 C ATOM 0 H PHE A 2 4.831 13.324 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 2 3.039 15.179 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.971 13.214 -6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.564 14.902 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.581 16.574 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.003 12.656 -8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.886 17.180 -8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.292 13.264 -10.091 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.238 15.527 -10.307 1.00 0.00 H new ATOM 37 N ARG A 3 1.481 13.206 -3.207 1.00 0.00 N ATOM 38 CA ARG A 3 0.981 12.168 -2.311 1.00 0.00 C ATOM 39 C ARG A 3 -0.534 11.972 -2.421 1.00 0.00 C ATOM 40 O ARG A 3 -1.313 12.909 -2.240 1.00 0.00 O ATOM 41 CB ARG A 3 1.373 12.460 -0.854 1.00 0.00 C ATOM 42 CG ARG A 3 2.150 11.323 -0.213 1.00 0.00 C ATOM 43 CD ARG A 3 3.630 11.650 -0.078 1.00 0.00 C ATOM 44 NE ARG A 3 4.104 11.477 1.292 1.00 0.00 N ATOM 45 CZ ARG A 3 3.914 12.368 2.262 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.259 13.497 2.016 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.378 12.133 3.481 1.00 0.00 N ATOM 0 H ARG A 3 0.834 13.972 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 3 1.452 11.237 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.974 13.369 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.472 12.651 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.734 11.110 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.031 10.420 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.206 11.008 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.805 12.678 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 3 4.611 10.622 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.899 13.684 1.080 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.116 14.177 2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.882 11.268 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.231 12.817 4.223 1.00 0.00 H new ATOM 61 N SER A 4 -0.931 10.727 -2.690 1.00 0.00 N ATOM 62 CA SER A 4 -2.333 10.342 -2.801 1.00 0.00 C ATOM 63 C SER A 4 -2.663 9.363 -1.683 1.00 0.00 C ATOM 64 O SER A 4 -1.757 8.789 -1.078 1.00 0.00 O ATOM 65 CB SER A 4 -2.602 9.688 -4.166 1.00 0.00 C ATOM 66 OG SER A 4 -3.632 8.718 -4.077 1.00 0.00 O ATOM 0 H SER A 4 -0.282 9.954 -2.837 1.00 0.00 H new ATOM 0 HA SER A 4 -2.961 11.229 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.882 10.453 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.689 9.220 -4.534 1.00 0.00 H new ATOM 0 HG SER A 4 -4.354 8.950 -4.698 1.00 0.00 H new ATOM 72 N THR A 5 -3.946 9.163 -1.398 1.00 0.00 N ATOM 73 CA THR A 5 -4.318 8.238 -0.334 1.00 0.00 C ATOM 74 C THR A 5 -5.619 7.497 -0.632 1.00 0.00 C ATOM 75 O THR A 5 -6.650 8.111 -0.908 1.00 0.00 O ATOM 76 CB THR A 5 -4.435 8.971 1.011 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.594 9.785 1.034 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.249 9.860 1.350 1.00 0.00 C ATOM 0 H THR A 5 -4.726 9.615 -1.874 1.00 0.00 H new ATOM 0 HA THR A 5 -3.521 7.497 -0.276 1.00 0.00 H new ATOM 0 HB THR A 5 -4.479 8.175 1.754 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.261 9.422 0.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.417 10.338 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.343 9.256 1.396 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.136 10.625 0.582 1.00 0.00 H new ATOM 86 N SER A 6 -5.561 6.168 -0.552 1.00 0.00 N ATOM 87 CA SER A 6 -6.737 5.330 -0.789 1.00 0.00 C ATOM 88 C SER A 6 -7.221 4.694 0.519 1.00 0.00 C ATOM 89 O SER A 6 -6.425 4.149 1.284 1.00 0.00 O ATOM 90 CB SER A 6 -6.415 4.241 -1.815 1.00 0.00 C ATOM 91 OG SER A 6 -5.439 4.684 -2.741 1.00 0.00 O ATOM 0 H SER A 6 -4.713 5.648 -0.325 1.00 0.00 H new ATOM 0 HA SER A 6 -7.533 5.962 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.055 3.349 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.323 3.958 -2.347 1.00 0.00 H new ATOM 0 HG SER A 6 -5.250 3.969 -3.384 1.00 0.00 H new ATOM 97 N HIS A 7 -8.528 4.772 0.772 1.00 0.00 N ATOM 98 CA HIS A 7 -9.113 4.208 1.995 1.00 0.00 C ATOM 99 C HIS A 7 -10.110 3.091 1.672 1.00 0.00 C ATOM 100 O HIS A 7 -10.989 3.258 0.827 1.00 0.00 O ATOM 101 CB HIS A 7 -9.808 5.310 2.799 1.00 0.00 C ATOM 102 CG HIS A 7 -9.931 5.010 4.262 1.00 0.00 C ATOM 103 ND1 HIS A 7 -9.933 5.991 5.232 1.00 0.00 N ATOM 104 CD2 HIS A 7 -10.062 3.833 4.922 1.00 0.00 C ATOM 105 CE1 HIS A 7 -10.057 5.433 6.422 1.00 0.00 C ATOM 106 NE2 HIS A 7 -10.138 4.125 6.262 1.00 0.00 N ATOM 0 H HIS A 7 -9.202 5.218 0.150 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.305 3.780 2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.255 6.241 2.674 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.804 5.474 2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.100 2.850 4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.087 5.957 7.366 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.240 3.442 7.012 1.00 0.00 H new ATOM 115 N VAL A 8 -9.965 1.949 2.350 1.00 0.00 N ATOM 116 CA VAL A 8 -10.852 0.804 2.132 1.00 0.00 C ATOM 117 C VAL A 8 -11.196 0.117 3.449 1.00 0.00 C ATOM 118 O VAL A 8 -10.412 0.164 4.398 1.00 0.00 O ATOM 119 CB VAL A 8 -10.211 -0.238 1.191 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.275 -1.130 0.564 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.375 0.441 0.115 1.00 0.00 C ATOM 0 H VAL A 8 -9.243 1.793 3.053 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.759 1.196 1.672 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.549 -0.866 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.799 -1.856 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.819 -1.655 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.970 -0.518 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.934 -0.315 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.009 1.102 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.582 1.023 0.584 1.00 0.00 H new ATOM 131 N ARG A 9 -12.353 -0.546 3.507 1.00 0.00 N ATOM 132 CA ARG A 9 -12.734 -1.257 4.729 1.00 0.00 C ATOM 133 C ARG A 9 -12.423 -2.748 4.590 1.00 0.00 C ATOM 134 O ARG A 9 -13.116 -3.475 3.878 1.00 0.00 O ATOM 135 CB ARG A 9 -14.221 -1.056 5.050 1.00 0.00 C ATOM 136 CG ARG A 9 -14.484 0.161 5.920 1.00 0.00 C ATOM 137 CD ARG A 9 -14.165 1.453 5.185 1.00 0.00 C ATOM 138 NE ARG A 9 -14.868 1.545 3.908 1.00 0.00 N ATOM 139 CZ ARG A 9 -14.658 2.509 3.014 1.00 0.00 C ATOM 140 NH1 ARG A 9 -13.766 3.462 3.254 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.340 2.519 1.878 1.00 0.00 N ATOM 0 H ARG A 9 -13.027 -0.606 2.744 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.152 -0.845 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.777 -0.956 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.601 -1.945 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.528 0.167 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.881 0.099 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.438 2.303 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.091 1.516 5.013 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.560 0.829 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.238 3.458 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.609 4.198 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.026 1.788 1.688 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.179 3.258 1.193 1.00 0.00 H new ATOM 155 N THR A 10 -11.366 -3.191 5.272 1.00 0.00 N ATOM 156 CA THR A 10 -10.942 -4.591 5.227 1.00 0.00 C ATOM 157 C THR A 10 -10.721 -5.163 6.632 1.00 0.00 C ATOM 158 O THR A 10 -10.457 -4.420 7.569 1.00 0.00 O ATOM 159 CB THR A 10 -9.674 -4.725 4.384 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.829 -5.740 3.409 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.444 -5.052 5.194 1.00 0.00 C ATOM 0 H THR A 10 -10.786 -2.597 5.865 1.00 0.00 H new ATOM 0 HA THR A 10 -11.741 -5.170 4.765 1.00 0.00 H new ATOM 0 HB THR A 10 -9.531 -3.748 3.922 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.925 -6.608 3.853 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.582 -5.132 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.268 -4.262 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.591 -5.999 5.713 1.00 0.00 H new ATOM 169 N GLU A 11 -10.800 -6.483 6.769 1.00 0.00 N ATOM 170 CA GLU A 11 -10.578 -7.129 8.064 1.00 0.00 C ATOM 171 C GLU A 11 -9.206 -7.819 8.123 1.00 0.00 C ATOM 172 O GLU A 11 -8.728 -8.350 7.120 1.00 0.00 O ATOM 173 CB GLU A 11 -11.687 -8.144 8.338 1.00 0.00 C ATOM 174 CG GLU A 11 -12.508 -7.811 9.570 1.00 0.00 C ATOM 175 CD GLU A 11 -13.999 -7.823 9.301 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.424 -7.239 8.282 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.744 -8.416 10.110 1.00 0.00 O ATOM 0 H GLU A 11 -11.015 -7.125 6.006 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.596 -6.355 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.347 -8.195 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.244 -9.133 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.280 -8.528 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.218 -6.828 9.940 1.00 0.00 H new ATOM 184 N SER A 12 -8.579 -7.813 9.308 1.00 0.00 N ATOM 185 CA SER A 12 -7.270 -8.441 9.498 1.00 0.00 C ATOM 186 C SER A 12 -6.214 -7.813 8.592 1.00 0.00 C ATOM 187 O SER A 12 -5.218 -8.446 8.240 1.00 0.00 O ATOM 188 CB SER A 12 -7.365 -9.943 9.247 1.00 0.00 C ATOM 189 OG SER A 12 -6.079 -10.537 9.193 1.00 0.00 O ATOM 0 H SER A 12 -8.960 -7.379 10.148 1.00 0.00 H new ATOM 0 HA SER A 12 -6.962 -8.273 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.951 -10.410 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.892 -10.125 8.310 1.00 0.00 H new ATOM 0 HG SER A 12 -5.569 -10.146 8.453 1.00 0.00 H new ATOM 195 N ALA A 13 -6.448 -6.565 8.220 1.00 0.00 N ATOM 196 CA ALA A 13 -5.533 -5.819 7.349 1.00 0.00 C ATOM 197 C ALA A 13 -4.078 -5.863 7.813 1.00 0.00 C ATOM 198 O ALA A 13 -3.178 -6.176 7.033 1.00 0.00 O ATOM 199 CB ALA A 13 -5.969 -4.370 7.259 1.00 0.00 C ATOM 0 H ALA A 13 -7.271 -6.036 8.508 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.581 -6.306 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.284 -3.824 6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.977 -4.318 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.960 -3.925 8.254 1.00 0.00 H new ATOM 205 N ALA A 14 -3.850 -5.493 9.066 1.00 0.00 N ATOM 206 CA ALA A 14 -2.494 -5.427 9.628 1.00 0.00 C ATOM 207 C ALA A 14 -1.598 -6.603 9.225 1.00 0.00 C ATOM 208 O ALA A 14 -0.375 -6.469 9.206 1.00 0.00 O ATOM 209 CB ALA A 14 -2.574 -5.307 11.138 1.00 0.00 C ATOM 0 H ALA A 14 -4.587 -5.231 9.721 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.021 -4.541 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.567 -5.258 11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.120 -4.401 11.403 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.092 -6.175 11.545 1.00 0.00 H new ATOM 215 N ARG A 15 -2.188 -7.749 8.916 1.00 0.00 N ATOM 216 CA ARG A 15 -1.406 -8.925 8.530 1.00 0.00 C ATOM 217 C ARG A 15 -0.983 -8.879 7.069 1.00 0.00 C ATOM 218 O ARG A 15 0.129 -9.275 6.724 1.00 0.00 O ATOM 219 CB ARG A 15 -2.212 -10.198 8.782 1.00 0.00 C ATOM 220 CG ARG A 15 -1.375 -11.447 9.034 1.00 0.00 C ATOM 221 CD ARG A 15 0.007 -11.393 8.386 1.00 0.00 C ATOM 222 NE ARG A 15 0.879 -12.450 8.898 1.00 0.00 N ATOM 223 CZ ARG A 15 1.723 -12.292 9.918 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.805 -11.129 10.553 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.482 -13.306 10.309 1.00 0.00 N ATOM 0 H ARG A 15 -3.198 -7.894 8.923 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.504 -8.925 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.863 -10.035 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.858 -10.378 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.259 -11.587 10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.912 -12.317 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.092 -11.493 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.462 -10.421 8.576 1.00 0.00 H new ATOM 0 HE ARG A 15 0.839 -13.364 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.219 -10.346 10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.454 -11.018 11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.419 -14.204 9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.129 -13.188 11.089 1.00 0.00 H new ATOM 239 N TYR A 16 -1.870 -8.404 6.212 1.00 0.00 N ATOM 240 CA TYR A 16 -1.564 -8.328 4.789 1.00 0.00 C ATOM 241 C TYR A 16 -0.470 -7.298 4.532 1.00 0.00 C ATOM 242 O TYR A 16 0.243 -7.392 3.539 1.00 0.00 O ATOM 243 CB TYR A 16 -2.817 -8.020 3.957 1.00 0.00 C ATOM 244 CG TYR A 16 -3.978 -8.996 4.142 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.794 -10.312 4.585 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.278 -8.585 3.872 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.868 -11.166 4.750 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.352 -9.438 4.034 1.00 0.00 C ATOM 249 CZ TYR A 16 -6.143 -10.725 4.474 1.00 0.00 C ATOM 250 OH TYR A 16 -7.212 -11.575 4.637 1.00 0.00 O ATOM 0 H TYR A 16 -2.798 -8.068 6.469 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.198 -9.305 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.163 -7.017 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.539 -8.007 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.797 -10.665 4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.452 -7.576 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.708 -12.177 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.353 -9.096 3.816 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.040 -11.108 4.400 1.00 0.00 H new ATOM 260 N VAL A 17 -0.316 -6.335 5.441 1.00 0.00 N ATOM 261 CA VAL A 17 0.731 -5.323 5.302 1.00 0.00 C ATOM 262 C VAL A 17 2.066 -5.893 5.772 1.00 0.00 C ATOM 263 O VAL A 17 3.098 -5.703 5.128 1.00 0.00 O ATOM 264 CB VAL A 17 0.423 -4.035 6.114 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.684 -3.227 6.387 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.578 -3.155 5.398 1.00 0.00 C ATOM 0 H VAL A 17 -0.897 -6.234 6.274 1.00 0.00 H new ATOM 0 HA VAL A 17 0.776 -5.054 4.247 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.001 -4.364 7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.428 -2.334 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.388 -3.833 6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.141 -2.935 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.770 -2.263 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.177 -2.863 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.509 -3.704 5.256 1.00 0.00 H new ATOM 276 N ASN A 18 2.037 -6.579 6.912 1.00 0.00 N ATOM 277 CA ASN A 18 3.244 -7.161 7.487 1.00 0.00 C ATOM 278 C ASN A 18 3.755 -8.354 6.679 1.00 0.00 C ATOM 279 O ASN A 18 4.955 -8.627 6.662 1.00 0.00 O ATOM 280 CB ASN A 18 2.983 -7.590 8.931 1.00 0.00 C ATOM 281 CG ASN A 18 2.296 -6.508 9.741 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.298 -5.337 9.363 1.00 0.00 O ATOM 283 ND2 ASN A 18 1.703 -6.897 10.864 1.00 0.00 N ATOM 0 H ASN A 18 1.190 -6.745 7.455 1.00 0.00 H new ATOM 0 HA ASN A 18 4.016 -6.392 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.367 -8.489 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.929 -7.850 9.406 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.224 -6.214 11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.726 -7.879 11.139 1.00 0.00 H new ATOM 290 N ARG A 19 2.848 -9.076 6.026 1.00 0.00 N ATOM 291 CA ARG A 19 3.232 -10.244 5.245 1.00 0.00 C ATOM 292 C ARG A 19 3.918 -9.862 3.935 1.00 0.00 C ATOM 293 O ARG A 19 4.588 -10.688 3.316 1.00 0.00 O ATOM 294 CB ARG A 19 2.007 -11.112 4.958 1.00 0.00 C ATOM 295 CG ARG A 19 2.311 -12.597 4.975 1.00 0.00 C ATOM 296 CD ARG A 19 1.547 -13.319 6.070 1.00 0.00 C ATOM 297 NE ARG A 19 1.479 -14.760 5.834 1.00 0.00 N ATOM 298 CZ ARG A 19 0.794 -15.316 4.837 1.00 0.00 C ATOM 299 NH1 ARG A 19 0.115 -14.558 3.984 1.00 0.00 N ATOM 300 NH2 ARG A 19 0.786 -16.633 4.694 1.00 0.00 N ATOM 0 H ARG A 19 1.848 -8.873 6.023 1.00 0.00 H new ATOM 0 HA ARG A 19 3.950 -10.809 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.236 -10.897 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.599 -10.842 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.056 -13.031 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.381 -12.747 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.027 -13.132 7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.537 -12.914 6.134 1.00 0.00 H new ATOM 0 HE ARG A 19 1.986 -15.375 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.116 -13.544 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.408 -14.990 3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.304 -17.220 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.261 -17.060 3.930 1.00 0.00 H new ATOM 314 N LEU A 20 3.739 -8.619 3.508 1.00 0.00 N ATOM 315 CA LEU A 20 4.338 -8.153 2.258 1.00 0.00 C ATOM 316 C LEU A 20 5.840 -7.938 2.389 1.00 0.00 C ATOM 317 O LEU A 20 6.608 -8.347 1.519 1.00 0.00 O ATOM 318 CB LEU A 20 3.682 -6.855 1.801 1.00 0.00 C ATOM 319 CG LEU A 20 2.170 -6.917 1.595 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.695 -5.668 0.876 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.756 -8.166 0.817 1.00 0.00 C ATOM 0 H LEU A 20 3.188 -7.917 4.003 1.00 0.00 H new ATOM 0 HA LEU A 20 4.169 -8.933 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.899 -6.081 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.146 -6.544 0.865 1.00 0.00 H new ATOM 0 HG LEU A 20 1.700 -6.971 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.616 -5.719 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.941 -4.789 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.187 -5.597 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.673 -8.174 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.235 -8.160 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.064 -9.056 1.367 1.00 0.00 H new ATOM 333 N CYS A 21 6.260 -7.286 3.467 1.00 0.00 N ATOM 334 CA CYS A 21 7.682 -7.020 3.673 1.00 0.00 C ATOM 335 C CYS A 21 8.476 -8.319 3.624 1.00 0.00 C ATOM 336 O CYS A 21 9.606 -8.354 3.140 1.00 0.00 O ATOM 337 CB CYS A 21 7.930 -6.289 5.002 1.00 0.00 C ATOM 338 SG CYS A 21 6.646 -5.097 5.454 1.00 0.00 S ATOM 0 H CYS A 21 5.648 -6.935 4.203 1.00 0.00 H new ATOM 0 HA CYS A 21 8.020 -6.369 2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.018 -7.029 5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.886 -5.769 4.943 1.00 0.00 H new ATOM 0 HG CYS A 21 7.161 -4.168 6.203 1.00 0.00 H new ATOM 344 N LYS A 22 7.868 -9.392 4.108 1.00 0.00 N ATOM 345 CA LYS A 22 8.508 -10.698 4.096 1.00 0.00 C ATOM 346 C LYS A 22 8.327 -11.372 2.735 1.00 0.00 C ATOM 347 O LYS A 22 9.065 -12.293 2.382 1.00 0.00 O ATOM 348 CB LYS A 22 7.927 -11.580 5.200 1.00 0.00 C ATOM 349 CG LYS A 22 8.031 -10.966 6.589 1.00 0.00 C ATOM 350 CD LYS A 22 6.717 -11.070 7.346 1.00 0.00 C ATOM 351 CE LYS A 22 6.429 -12.502 7.761 1.00 0.00 C ATOM 352 NZ LYS A 22 7.249 -12.917 8.933 1.00 0.00 N ATOM 0 H LYS A 22 6.932 -9.383 4.514 1.00 0.00 H new ATOM 0 HA LYS A 22 9.574 -10.562 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.879 -11.782 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.444 -12.540 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.817 -11.469 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.321 -9.919 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.753 -10.434 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.905 -10.700 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.371 -12.604 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.629 -13.170 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.974 -13.876 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.256 -12.910 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.090 -12.255 9.720 1.00 0.00 H new ATOM 366 N HIS A 23 7.327 -10.913 1.983 1.00 0.00 N ATOM 367 CA HIS A 23 7.023 -11.468 0.669 1.00 0.00 C ATOM 368 C HIS A 23 7.871 -10.841 -0.433 1.00 0.00 C ATOM 369 O HIS A 23 8.632 -11.534 -1.108 1.00 0.00 O ATOM 370 CB HIS A 23 5.540 -11.277 0.350 1.00 0.00 C ATOM 371 CG HIS A 23 5.044 -12.175 -0.742 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.543 -12.142 -2.028 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.089 -13.135 -0.735 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.916 -13.043 -2.764 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.031 -13.659 -2.003 1.00 0.00 N ATOM 0 H HIS A 23 6.710 -10.152 2.267 1.00 0.00 H new ATOM 0 HA HIS A 23 7.261 -12.531 0.704 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.956 -11.458 1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.369 -10.240 0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.486 -13.433 0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.097 -13.241 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.405 -14.404 -2.308 1.00 0.00 H new ATOM 384 N TRP A 24 7.722 -9.532 -0.634 1.00 0.00 N ATOM 385 CA TRP A 24 8.465 -8.841 -1.680 1.00 0.00 C ATOM 386 C TRP A 24 9.840 -8.382 -1.191 1.00 0.00 C ATOM 387 O TRP A 24 10.676 -7.965 -1.993 1.00 0.00 O ATOM 388 CB TRP A 24 7.662 -7.647 -2.192 1.00 0.00 C ATOM 389 CG TRP A 24 6.371 -8.038 -2.845 1.00 0.00 C ATOM 390 CD1 TRP A 24 5.128 -7.554 -2.557 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.196 -8.997 -3.894 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.190 -8.152 -3.363 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.820 -9.042 -4.193 1.00 0.00 C ATOM 394 CE3 TRP A 24 7.067 -9.822 -4.611 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.299 -9.879 -5.176 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.548 -10.652 -5.587 1.00 0.00 C ATOM 397 CH2 TRP A 24 5.175 -10.674 -5.862 1.00 0.00 C ATOM 0 H TRP A 24 7.099 -8.936 -0.090 1.00 0.00 H new ATOM 0 HA TRP A 24 8.624 -9.547 -2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.452 -6.976 -1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.268 -7.089 -2.906 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.913 -6.809 -1.805 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.188 -7.964 -3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.127 -9.811 -4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.240 -9.900 -5.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.212 -11.294 -6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.800 -11.332 -6.632 1.00 0.00 H new ATOM 408 N GLY A 25 10.081 -8.458 0.122 1.00 0.00 N ATOM 409 CA GLY A 25 11.364 -8.042 0.656 1.00 0.00 C ATOM 410 C GLY A 25 12.488 -8.986 0.282 1.00 0.00 C ATOM 411 O GLY A 25 13.098 -9.609 1.150 1.00 0.00 O ATOM 0 H GLY A 25 9.414 -8.798 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.598 -7.042 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.297 -7.976 1.742 1.00 0.00 H new ATOM 415 N HIS A 26 12.765 -9.090 -1.012 1.00 0.00 N ATOM 416 CA HIS A 26 13.825 -9.962 -1.496 1.00 0.00 C ATOM 417 C HIS A 26 14.965 -9.147 -2.098 1.00 0.00 C ATOM 418 O HIS A 26 16.115 -9.586 -2.112 1.00 0.00 O ATOM 419 CB HIS A 26 13.276 -10.941 -2.535 1.00 0.00 C ATOM 420 CG HIS A 26 13.826 -12.327 -2.402 1.00 0.00 C ATOM 421 ND1 HIS A 26 14.620 -12.919 -3.362 1.00 0.00 N ATOM 422 CD2 HIS A 26 13.695 -13.241 -1.410 1.00 0.00 C ATOM 423 CE1 HIS A 26 14.952 -14.135 -2.967 1.00 0.00 C ATOM 424 NE2 HIS A 26 14.404 -14.354 -1.786 1.00 0.00 N ATOM 0 H HIS A 26 12.270 -8.581 -1.744 1.00 0.00 H new ATOM 0 HA HIS A 26 14.214 -10.526 -0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.190 -10.980 -2.447 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.502 -10.564 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.137 -13.117 -0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.567 -14.832 -3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.493 -15.212 -1.241 1.00 0.00 H new ATOM 433 N LYS A 27 14.638 -7.959 -2.601 1.00 0.00 N ATOM 434 CA LYS A 27 15.637 -7.089 -3.209 1.00 0.00 C ATOM 435 C LYS A 27 15.249 -5.621 -3.025 1.00 0.00 C ATOM 436 O LYS A 27 15.712 -4.746 -3.749 1.00 0.00 O ATOM 437 CB LYS A 27 15.778 -7.448 -4.696 1.00 0.00 C ATOM 438 CG LYS A 27 16.596 -6.463 -5.521 1.00 0.00 C ATOM 439 CD LYS A 27 15.701 -5.622 -6.416 1.00 0.00 C ATOM 440 CE LYS A 27 16.063 -4.146 -6.362 1.00 0.00 C ATOM 441 NZ LYS A 27 17.529 -3.930 -6.202 1.00 0.00 N ATOM 0 H LYS A 27 13.691 -7.579 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 27 16.600 -7.236 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.237 -8.434 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.782 -7.525 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.165 -5.813 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.318 -7.006 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.780 -5.977 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.662 -5.751 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.723 -3.657 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.536 -3.675 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.794 -3.019 -6.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.771 -3.924 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.047 -4.697 -6.677 1.00 0.00 H new ATOM 455 N PHE A 28 14.394 -5.349 -2.039 1.00 0.00 N ATOM 456 CA PHE A 28 13.959 -3.986 -1.776 1.00 0.00 C ATOM 457 C PHE A 28 13.953 -3.682 -0.289 1.00 0.00 C ATOM 458 O PHE A 28 13.906 -4.588 0.543 1.00 0.00 O ATOM 459 CB PHE A 28 12.571 -3.751 -2.371 1.00 0.00 C ATOM 460 CG PHE A 28 12.579 -3.687 -3.869 1.00 0.00 C ATOM 461 CD1 PHE A 28 12.917 -2.513 -4.521 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.255 -4.802 -4.625 1.00 0.00 C ATOM 463 CE1 PHE A 28 12.933 -2.451 -5.902 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.269 -4.747 -6.006 1.00 0.00 C ATOM 465 CZ PHE A 28 12.607 -3.570 -6.645 1.00 0.00 C ATOM 0 H PHE A 28 13.994 -6.051 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 28 14.670 -3.310 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.904 -4.551 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.165 -2.820 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.171 -1.636 -3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.989 -5.724 -4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.200 -1.530 -6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.016 -5.623 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.617 -3.524 -7.724 1.00 0.00 H new ATOM 475 N GLU A 29 13.996 -2.396 0.041 1.00 0.00 N ATOM 476 CA GLU A 29 13.990 -1.977 1.436 1.00 0.00 C ATOM 477 C GLU A 29 12.570 -2.007 1.981 1.00 0.00 C ATOM 478 O GLU A 29 11.784 -1.089 1.758 1.00 0.00 O ATOM 479 CB GLU A 29 14.609 -0.583 1.593 1.00 0.00 C ATOM 480 CG GLU A 29 13.922 0.506 0.785 1.00 0.00 C ATOM 481 CD GLU A 29 14.449 1.888 1.117 1.00 0.00 C ATOM 482 OE1 GLU A 29 15.480 2.286 0.534 1.00 0.00 O ATOM 483 OE2 GLU A 29 13.831 2.572 1.959 1.00 0.00 O ATOM 0 H GLU A 29 14.035 -1.632 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 29 14.599 -2.674 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.586 -0.305 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.658 -0.630 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.064 0.311 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.849 0.474 0.974 1.00 0.00 H new ATOM 490 N VAL A 30 12.237 -3.090 2.673 1.00 0.00 N ATOM 491 CA VAL A 30 10.899 -3.253 3.220 1.00 0.00 C ATOM 492 C VAL A 30 10.896 -3.286 4.749 1.00 0.00 C ATOM 493 O VAL A 30 11.452 -4.198 5.360 1.00 0.00 O ATOM 494 CB VAL A 30 10.238 -4.543 2.688 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.656 -4.323 1.300 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.232 -5.690 2.661 1.00 0.00 C ATOM 0 H VAL A 30 12.873 -3.864 2.867 1.00 0.00 H new ATOM 0 HA VAL A 30 10.328 -2.384 2.894 1.00 0.00 H new ATOM 0 HB VAL A 30 9.426 -4.803 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.196 -5.246 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.903 -3.536 1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.451 -4.029 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.742 -6.587 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.068 -5.432 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.600 -5.876 3.670 1.00 0.00 H new ATOM 506 N GLU A 31 10.246 -2.293 5.360 1.00 0.00 N ATOM 507 CA GLU A 31 10.148 -2.217 6.814 1.00 0.00 C ATOM 508 C GLU A 31 8.802 -2.774 7.273 1.00 0.00 C ATOM 509 O GLU A 31 7.826 -2.734 6.526 1.00 0.00 O ATOM 510 CB GLU A 31 10.313 -0.770 7.288 1.00 0.00 C ATOM 511 CG GLU A 31 11.615 -0.522 8.032 1.00 0.00 C ATOM 512 CD GLU A 31 12.604 0.294 7.221 1.00 0.00 C ATOM 513 OE1 GLU A 31 13.233 -0.276 6.305 1.00 0.00 O ATOM 514 OE2 GLU A 31 12.750 1.502 7.503 1.00 0.00 O ATOM 0 H GLU A 31 9.780 -1.531 4.867 1.00 0.00 H new ATOM 0 HA GLU A 31 10.948 -2.815 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.264 -0.105 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.477 -0.511 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.402 -0.003 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.067 -1.478 8.294 1.00 0.00 H new ATOM 521 N LEU A 32 8.754 -3.304 8.492 1.00 0.00 N ATOM 522 CA LEU A 32 7.515 -3.882 9.015 1.00 0.00 C ATOM 523 C LEU A 32 7.184 -3.367 10.411 1.00 0.00 C ATOM 524 O LEU A 32 7.849 -3.710 11.388 1.00 0.00 O ATOM 525 CB LEU A 32 7.617 -5.416 9.040 1.00 0.00 C ATOM 526 CG LEU A 32 6.293 -6.188 9.163 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.561 -7.655 9.474 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.392 -5.586 10.237 1.00 0.00 C ATOM 0 H LEU A 32 9.547 -3.346 9.132 1.00 0.00 H new ATOM 0 HA LEU A 32 6.709 -3.575 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.118 -5.740 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.258 -5.702 9.874 1.00 0.00 H new ATOM 0 HG LEU A 32 5.777 -6.111 8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.614 -8.188 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.155 -8.094 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.106 -7.734 10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.465 -6.157 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.901 -5.620 11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.165 -4.551 9.983 1.00 0.00 H new ATOM 540 N THR A 33 6.119 -2.576 10.499 1.00 0.00 N ATOM 541 CA THR A 33 5.656 -2.050 11.776 1.00 0.00 C ATOM 542 C THR A 33 4.205 -2.468 11.971 1.00 0.00 C ATOM 543 O THR A 33 3.471 -2.631 10.996 1.00 0.00 O ATOM 544 CB THR A 33 5.775 -0.524 11.804 1.00 0.00 C ATOM 545 OG1 THR A 33 5.666 0.012 10.498 1.00 0.00 O ATOM 546 CG2 THR A 33 7.081 -0.037 12.393 1.00 0.00 C ATOM 0 H THR A 33 5.560 -2.285 9.697 1.00 0.00 H new ATOM 0 HA THR A 33 6.271 -2.449 12.582 1.00 0.00 H new ATOM 0 HB THR A 33 4.958 -0.182 12.440 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.983 -0.481 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.101 1.053 12.383 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.172 -0.392 13.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.912 -0.420 11.801 1.00 0.00 H new ATOM 554 N PRO A 34 3.755 -2.647 13.220 1.00 0.00 N ATOM 555 CA PRO A 34 2.375 -3.044 13.496 1.00 0.00 C ATOM 556 C PRO A 34 1.411 -1.900 13.242 1.00 0.00 C ATOM 557 O PRO A 34 0.627 -1.520 14.111 1.00 0.00 O ATOM 558 CB PRO A 34 2.398 -3.418 14.972 1.00 0.00 C ATOM 559 CG PRO A 34 3.536 -2.648 15.553 1.00 0.00 C ATOM 560 CD PRO A 34 4.546 -2.468 14.448 1.00 0.00 C ATOM 0 HA PRO A 34 2.037 -3.859 12.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.458 -3.159 15.459 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.540 -4.491 15.104 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.198 -1.683 15.929 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.975 -3.183 16.395 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.009 -1.482 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.350 -3.201 14.517 1.00 0.00 H new ATOM 568 N GLU A 35 1.497 -1.352 12.040 1.00 0.00 N ATOM 569 CA GLU A 35 0.668 -0.232 11.629 1.00 0.00 C ATOM 570 C GLU A 35 0.669 -0.085 10.109 1.00 0.00 C ATOM 571 O GLU A 35 -0.334 0.309 9.514 1.00 0.00 O ATOM 572 CB GLU A 35 1.203 1.061 12.252 1.00 0.00 C ATOM 573 CG GLU A 35 0.963 1.181 13.748 1.00 0.00 C ATOM 574 CD GLU A 35 -0.511 1.188 14.109 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.169 0.140 13.946 1.00 0.00 O ATOM 576 OE2 GLU A 35 -1.007 2.245 14.552 1.00 0.00 O ATOM 0 H GLU A 35 2.145 -1.673 11.321 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.351 -0.420 11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.274 1.126 12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.738 1.911 11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.453 0.351 14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.426 2.098 14.113 1.00 0.00 H new ATOM 583 N ARG A 36 1.810 -0.383 9.487 1.00 0.00 N ATOM 584 CA ARG A 36 1.946 -0.261 8.048 1.00 0.00 C ATOM 585 C ARG A 36 3.237 -0.884 7.549 1.00 0.00 C ATOM 586 O ARG A 36 4.133 -1.216 8.324 1.00 0.00 O ATOM 587 CB ARG A 36 1.924 1.211 7.635 1.00 0.00 C ATOM 588 CG ARG A 36 2.802 2.090 8.513 1.00 0.00 C ATOM 589 CD ARG A 36 2.562 3.568 8.253 1.00 0.00 C ATOM 590 NE ARG A 36 3.795 4.346 8.344 1.00 0.00 N ATOM 591 CZ ARG A 36 4.496 4.500 9.465 1.00 0.00 C ATOM 592 NH1 ARG A 36 4.087 3.936 10.595 1.00 0.00 N ATOM 593 NH2 ARG A 36 5.609 5.222 9.458 1.00 0.00 N ATOM 0 H ARG A 36 2.650 -0.710 9.964 1.00 0.00 H new ATOM 0 HA ARG A 36 1.105 -0.792 7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.254 1.297 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.898 1.578 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.604 1.869 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.850 1.854 8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.125 3.696 7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.838 3.950 8.973 1.00 0.00 H new ATOM 0 HE ARG A 36 4.140 4.799 7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.231 3.381 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.628 4.058 11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.928 5.659 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.146 5.340 10.317 1.00 0.00 H new ATOM 607 N GLY A 37 3.324 -1.000 6.234 1.00 0.00 N ATOM 608 CA GLY A 37 4.507 -1.536 5.604 1.00 0.00 C ATOM 609 C GLY A 37 5.197 -0.455 4.794 1.00 0.00 C ATOM 610 O GLY A 37 4.531 0.425 4.256 1.00 0.00 O ATOM 0 H GLY A 37 2.585 -0.728 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.188 -1.925 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.238 -2.371 4.957 1.00 0.00 H new ATOM 614 N PHE A 38 6.517 -0.494 4.712 1.00 0.00 N ATOM 615 CA PHE A 38 7.256 0.516 3.970 1.00 0.00 C ATOM 616 C PHE A 38 8.146 -0.148 2.935 1.00 0.00 C ATOM 617 O PHE A 38 8.984 -0.979 3.271 1.00 0.00 O ATOM 618 CB PHE A 38 8.078 1.352 4.949 1.00 0.00 C ATOM 619 CG PHE A 38 8.934 2.415 4.314 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.358 3.482 3.636 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.317 2.363 4.419 1.00 0.00 C ATOM 622 CE1 PHE A 38 9.147 4.468 3.077 1.00 0.00 C ATOM 623 CE2 PHE A 38 11.106 3.351 3.863 1.00 0.00 C ATOM 624 CZ PHE A 38 10.521 4.404 3.191 1.00 0.00 C ATOM 0 H PHE A 38 7.097 -1.211 5.148 1.00 0.00 H new ATOM 0 HA PHE A 38 6.563 1.172 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.399 1.828 5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.720 0.684 5.523 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.283 3.541 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.782 1.540 4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.688 5.291 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.181 3.299 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.137 5.177 2.755 1.00 0.00 H new ATOM 634 N ILE A 39 7.951 0.215 1.675 1.00 0.00 N ATOM 635 CA ILE A 39 8.738 -0.365 0.588 1.00 0.00 C ATOM 636 C ILE A 39 9.188 0.717 -0.392 1.00 0.00 C ATOM 637 O ILE A 39 8.364 1.298 -1.098 1.00 0.00 O ATOM 638 CB ILE A 39 7.944 -1.440 -0.202 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.999 -2.236 0.725 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.914 -2.368 -0.935 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.538 -3.567 0.160 1.00 0.00 C ATOM 0 H ILE A 39 7.260 0.904 1.378 1.00 0.00 H new ATOM 0 HA ILE A 39 9.603 -0.837 1.054 1.00 0.00 H new ATOM 0 HB ILE A 39 7.319 -0.937 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.506 -2.414 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.123 -1.625 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.351 -3.120 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.520 -1.786 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.564 -2.860 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.879 -4.058 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.000 -3.399 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.404 -4.201 -0.030 1.00 0.00 H new ATOM 704 N SER A 44 10.968 6.959 -5.015 1.00 0.00 N ATOM 705 CA SER A 44 9.559 6.985 -4.624 1.00 0.00 C ATOM 706 C SER A 44 9.354 6.055 -3.427 1.00 0.00 C ATOM 707 O SER A 44 10.322 5.662 -2.776 1.00 0.00 O ATOM 708 CB SER A 44 8.655 6.560 -5.789 1.00 0.00 C ATOM 709 OG SER A 44 7.301 6.455 -5.387 1.00 0.00 O ATOM 0 HA SER A 44 9.288 8.004 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.739 7.285 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.994 5.601 -6.182 1.00 0.00 H new ATOM 0 HG SER A 44 7.098 7.158 -4.735 1.00 0.00 H new ATOM 715 N ASN A 45 8.108 5.696 -3.134 1.00 0.00 N ATOM 716 CA ASN A 45 7.829 4.809 -2.016 1.00 0.00 C ATOM 717 C ASN A 45 6.390 4.312 -2.062 1.00 0.00 C ATOM 718 O ASN A 45 5.562 4.842 -2.803 1.00 0.00 O ATOM 719 CB ASN A 45 8.091 5.523 -0.685 1.00 0.00 C ATOM 720 CG ASN A 45 9.331 5.003 0.016 1.00 0.00 C ATOM 721 OD1 ASN A 45 10.290 5.742 0.233 1.00 0.00 O ATOM 722 ND2 ASN A 45 9.315 3.725 0.373 1.00 0.00 N ATOM 0 H ASN A 45 7.284 6.003 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 45 8.496 3.950 -2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.200 6.592 -0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.228 5.396 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.121 3.318 0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.497 3.150 0.172 1.00 0.00 H new ATOM 729 N CYS A 46 6.094 3.306 -1.251 1.00 0.00 N ATOM 730 CA CYS A 46 4.754 2.752 -1.181 1.00 0.00 C ATOM 731 C CYS A 46 4.487 2.221 0.223 1.00 0.00 C ATOM 732 O CYS A 46 4.957 1.146 0.593 1.00 0.00 O ATOM 733 CB CYS A 46 4.587 1.638 -2.213 1.00 0.00 C ATOM 734 SG CYS A 46 2.982 0.808 -2.157 1.00 0.00 S ATOM 0 H CYS A 46 6.768 2.857 -0.631 1.00 0.00 H new ATOM 0 HA CYS A 46 4.033 3.538 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.732 2.056 -3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.372 0.897 -2.061 1.00 0.00 H new ATOM 0 HG CYS A 46 2.143 1.433 -2.928 1.00 0.00 H new ATOM 740 N GLU A 47 3.737 2.991 1.001 1.00 0.00 N ATOM 741 CA GLU A 47 3.412 2.614 2.369 1.00 0.00 C ATOM 742 C GLU A 47 1.960 2.166 2.457 1.00 0.00 C ATOM 743 O GLU A 47 1.127 2.597 1.659 1.00 0.00 O ATOM 744 CB GLU A 47 3.664 3.809 3.297 1.00 0.00 C ATOM 745 CG GLU A 47 4.170 3.457 4.693 1.00 0.00 C ATOM 746 CD GLU A 47 5.046 4.548 5.277 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.677 5.734 5.155 1.00 0.00 O ATOM 748 OE2 GLU A 47 6.101 4.214 5.855 1.00 0.00 O ATOM 0 H GLU A 47 3.341 3.884 0.706 1.00 0.00 H new ATOM 0 HA GLU A 47 4.045 1.783 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.389 4.470 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.736 4.372 3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.320 3.284 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.734 2.525 4.649 1.00 0.00 H new ATOM 755 N LEU A 48 1.651 1.302 3.418 1.00 0.00 N ATOM 756 CA LEU A 48 0.283 0.821 3.566 1.00 0.00 C ATOM 757 C LEU A 48 -0.111 0.686 5.021 1.00 0.00 C ATOM 758 O LEU A 48 0.511 -0.053 5.775 1.00 0.00 O ATOM 759 CB LEU A 48 0.065 -0.519 2.848 1.00 0.00 C ATOM 760 CG LEU A 48 1.240 -1.507 2.874 1.00 0.00 C ATOM 761 CD1 LEU A 48 0.840 -2.827 2.226 1.00 0.00 C ATOM 762 CD2 LEU A 48 2.454 -0.922 2.166 1.00 0.00 C ATOM 0 H LEU A 48 2.316 0.926 4.094 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.355 1.572 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.802 -1.008 3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.184 -0.312 1.807 1.00 0.00 H new ATOM 0 HG LEU A 48 1.504 -1.692 3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.684 -3.516 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.001 -3.260 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.548 -2.650 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.274 -1.639 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.201 -0.705 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.758 -0.002 2.665 1.00 0.00 H new ATOM 774 N LEU A 49 -1.182 1.375 5.396 1.00 0.00 N ATOM 775 CA LEU A 49 -1.689 1.304 6.765 1.00 0.00 C ATOM 776 C LEU A 49 -2.707 0.188 6.849 1.00 0.00 C ATOM 777 O LEU A 49 -3.593 0.091 6.005 1.00 0.00 O ATOM 778 CB LEU A 49 -2.324 2.623 7.203 1.00 0.00 C ATOM 779 CG LEU A 49 -2.421 2.816 8.722 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.391 3.827 9.202 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.825 3.252 9.114 1.00 0.00 C ATOM 0 H LEU A 49 -1.715 1.986 4.777 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.852 1.108 7.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.746 3.446 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.326 2.687 6.778 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.210 1.861 9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.477 3.949 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.390 3.472 8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.567 4.785 8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.876 3.384 10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.064 4.194 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.542 2.490 8.807 1.00 0.00 H new ATOM 793 N ALA A 50 -2.567 -0.678 7.839 1.00 0.00 N ATOM 794 CA ALA A 50 -3.481 -1.797 7.964 1.00 0.00 C ATOM 795 C ALA A 50 -3.839 -2.118 9.405 1.00 0.00 C ATOM 796 O ALA A 50 -3.007 -2.583 10.183 1.00 0.00 O ATOM 797 CB ALA A 50 -2.886 -3.004 7.268 1.00 0.00 C ATOM 0 H ALA A 50 -1.842 -0.629 8.555 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.418 -1.516 7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.568 -3.849 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.729 -2.775 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.932 -3.257 7.730 1.00 0.00 H new ATOM 803 N HIS A 51 -5.108 -1.893 9.735 1.00 0.00 N ATOM 804 CA HIS A 51 -5.626 -2.176 11.050 1.00 0.00 C ATOM 805 C HIS A 51 -6.620 -3.341 10.946 1.00 0.00 C ATOM 806 O HIS A 51 -7.054 -3.699 9.852 1.00 0.00 O ATOM 807 CB HIS A 51 -6.279 -0.920 11.653 1.00 0.00 C ATOM 808 CG HIS A 51 -5.922 -0.693 13.091 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.814 -0.194 14.019 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.763 -0.902 13.766 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.222 -0.106 15.196 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.978 -0.530 15.069 1.00 0.00 N ATOM 0 H HIS A 51 -5.799 -1.509 9.090 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.815 -2.465 11.719 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.979 -0.049 11.070 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.362 -1.005 11.565 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.843 -1.289 13.354 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.678 0.252 16.107 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.288 -0.574 15.819 1.00 0.00 H new ATOM 821 N PRO A 52 -6.970 -3.960 12.074 1.00 0.00 N ATOM 822 CA PRO A 52 -7.884 -5.110 12.119 1.00 0.00 C ATOM 823 C PRO A 52 -9.160 -4.944 11.293 1.00 0.00 C ATOM 824 O PRO A 52 -9.817 -5.936 10.977 1.00 0.00 O ATOM 825 CB PRO A 52 -8.219 -5.219 13.604 1.00 0.00 C ATOM 826 CG PRO A 52 -7.003 -4.702 14.286 1.00 0.00 C ATOM 827 CD PRO A 52 -6.478 -3.601 13.405 1.00 0.00 C ATOM 0 HA PRO A 52 -7.418 -5.994 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.100 -4.630 13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.430 -6.249 13.891 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.242 -4.327 15.281 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.260 -5.490 14.412 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.848 -2.625 13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.389 -3.552 13.430 1.00 0.00 H new ATOM 835 N ASP A 53 -9.535 -3.710 10.953 1.00 0.00 N ATOM 836 CA ASP A 53 -10.758 -3.505 10.181 1.00 0.00 C ATOM 837 C ASP A 53 -10.639 -2.420 9.112 1.00 0.00 C ATOM 838 O ASP A 53 -11.588 -2.204 8.358 1.00 0.00 O ATOM 839 CB ASP A 53 -11.924 -3.185 11.117 1.00 0.00 C ATOM 840 CG ASP A 53 -13.262 -3.595 10.534 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.497 -4.812 10.383 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.076 -2.697 10.228 1.00 0.00 O ATOM 0 H ASP A 53 -9.025 -2.860 11.192 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.941 -4.440 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.773 -3.695 12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.935 -2.116 11.327 1.00 0.00 H new ATOM 847 N HIS A 54 -9.493 -1.757 9.005 1.00 0.00 N ATOM 848 CA HIS A 54 -9.343 -0.740 7.967 1.00 0.00 C ATOM 849 C HIS A 54 -7.928 -0.718 7.395 1.00 0.00 C ATOM 850 O HIS A 54 -6.982 -1.163 8.043 1.00 0.00 O ATOM 851 CB HIS A 54 -9.740 0.647 8.477 1.00 0.00 C ATOM 852 CG HIS A 54 -8.958 1.114 9.664 1.00 0.00 C ATOM 853 ND1 HIS A 54 -9.384 0.937 10.964 1.00 0.00 N ATOM 854 CD2 HIS A 54 -7.777 1.770 9.743 1.00 0.00 C ATOM 855 CE1 HIS A 54 -8.499 1.466 11.790 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.514 1.976 11.075 1.00 0.00 N ATOM 0 H HIS A 54 -8.678 -1.897 9.602 1.00 0.00 H new ATOM 0 HA HIS A 54 -10.024 -1.011 7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.616 1.368 7.669 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.799 0.637 8.735 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.157 2.075 8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.570 1.479 12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.691 2.447 11.451 1.00 0.00 H new ATOM 865 N VAL A 55 -7.789 -0.204 6.169 1.00 0.00 N ATOM 866 CA VAL A 55 -6.493 -0.140 5.518 1.00 0.00 C ATOM 867 C VAL A 55 -6.326 1.173 4.757 1.00 0.00 C ATOM 868 O VAL A 55 -7.240 1.630 4.069 1.00 0.00 O ATOM 869 CB VAL A 55 -6.293 -1.335 4.557 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.814 -1.030 3.156 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.831 -1.751 4.506 1.00 0.00 C ATOM 0 H VAL A 55 -8.560 0.170 5.616 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.733 -0.190 6.298 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.877 -2.167 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.654 -1.895 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.880 -0.806 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.281 -0.171 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.716 -2.593 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.227 -0.914 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.501 -2.044 5.503 1.00 0.00 H new ATOM 881 N LEU A 56 -5.148 1.760 4.876 1.00 0.00 N ATOM 882 CA LEU A 56 -4.834 3.012 4.194 1.00 0.00 C ATOM 883 C LEU A 56 -3.679 2.790 3.223 1.00 0.00 C ATOM 884 O LEU A 56 -2.785 1.986 3.485 1.00 0.00 O ATOM 885 CB LEU A 56 -4.475 4.116 5.207 1.00 0.00 C ATOM 886 CG LEU A 56 -5.456 5.296 5.312 1.00 0.00 C ATOM 887 CD1 LEU A 56 -5.019 6.248 6.416 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.569 6.043 3.989 1.00 0.00 C ATOM 0 H LEU A 56 -4.385 1.389 5.442 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.714 3.338 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.385 3.659 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.493 4.511 4.948 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.439 4.893 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.722 7.079 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.998 5.717 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.023 6.632 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.270 6.871 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.591 6.431 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.928 5.363 3.217 1.00 0.00 H new ATOM 900 N MET A 57 -3.709 3.489 2.098 1.00 0.00 N ATOM 901 CA MET A 57 -2.665 3.343 1.089 1.00 0.00 C ATOM 902 C MET A 57 -2.082 4.701 0.700 1.00 0.00 C ATOM 903 O MET A 57 -2.776 5.537 0.124 1.00 0.00 O ATOM 904 CB MET A 57 -3.235 2.615 -0.130 1.00 0.00 C ATOM 905 CG MET A 57 -4.145 1.460 0.258 1.00 0.00 C ATOM 906 SD MET A 57 -4.791 0.573 -1.174 1.00 0.00 S ATOM 907 CE MET A 57 -6.548 0.621 -0.838 1.00 0.00 C ATOM 0 H MET A 57 -4.439 4.160 1.860 1.00 0.00 H new ATOM 0 HA MET A 57 -1.849 2.751 1.504 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.792 3.322 -0.745 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.415 2.238 -0.741 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.594 0.766 0.892 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.977 1.841 0.850 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.060 -0.101 -1.474 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.725 0.372 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.930 1.621 -1.043 1.00 0.00 H new ATOM 917 N ILE A 58 -0.803 4.919 1.024 1.00 0.00 N ATOM 918 CA ILE A 58 -0.142 6.175 0.715 1.00 0.00 C ATOM 919 C ILE A 58 1.139 5.934 -0.079 1.00 0.00 C ATOM 920 O ILE A 58 1.898 5.011 0.218 1.00 0.00 O ATOM 921 CB ILE A 58 0.212 6.952 2.000 1.00 0.00 C ATOM 922 CG1 ILE A 58 -1.025 7.098 2.907 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.803 8.308 1.647 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.347 8.529 3.302 1.00 0.00 C ATOM 0 H ILE A 58 -0.212 4.237 1.500 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.839 6.764 0.119 1.00 0.00 H new ATOM 0 HB ILE A 58 0.962 6.389 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.888 6.672 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.869 6.510 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.049 8.847 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.707 8.168 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.077 8.882 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.231 8.540 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.503 8.955 3.844 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.538 9.120 2.406 1.00 0.00 H new ATOM 936 N LEU A 59 1.379 6.771 -1.083 1.00 0.00 N ATOM 937 CA LEU A 59 2.576 6.643 -1.907 1.00 0.00 C ATOM 938 C LEU A 59 3.382 7.934 -1.918 1.00 0.00 C ATOM 939 O LEU A 59 2.820 9.024 -1.930 1.00 0.00 O ATOM 940 CB LEU A 59 2.205 6.246 -3.349 1.00 0.00 C ATOM 941 CG LEU A 59 1.716 7.368 -4.281 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.491 8.041 -3.700 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.806 8.393 -4.558 1.00 0.00 C ATOM 0 H LEU A 59 0.764 7.542 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 59 3.192 5.857 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.078 5.782 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.428 5.484 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 59 1.451 6.909 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.158 8.832 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.306 7.307 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.738 8.469 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.418 9.167 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.127 8.845 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.655 7.902 -5.033 1.00 0.00 H new ATOM 955 N ASN A 60 4.700 7.802 -1.960 1.00 0.00 N ATOM 956 CA ASN A 60 5.578 8.961 -2.031 1.00 0.00 C ATOM 957 C ASN A 60 6.386 8.874 -3.316 1.00 0.00 C ATOM 958 O ASN A 60 7.321 8.082 -3.414 1.00 0.00 O ATOM 959 CB ASN A 60 6.509 9.023 -0.818 1.00 0.00 C ATOM 960 CG ASN A 60 5.791 8.718 0.483 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.565 8.615 0.518 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.553 8.574 1.561 1.00 0.00 N ATOM 0 H ASN A 60 5.185 6.905 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 60 4.977 9.871 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.325 8.313 -0.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.956 10.015 -0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.125 8.370 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.566 8.668 1.486 1.00 0.00 H new ATOM 969 N SER A 61 5.998 9.657 -4.313 1.00 0.00 N ATOM 970 CA SER A 61 6.682 9.616 -5.613 1.00 0.00 C ATOM 971 C SER A 61 6.820 11.004 -6.247 1.00 0.00 C ATOM 972 O SER A 61 5.902 11.821 -6.177 1.00 0.00 O ATOM 973 CB SER A 61 5.901 8.717 -6.570 1.00 0.00 C ATOM 974 OG SER A 61 5.132 7.766 -5.859 1.00 0.00 O ATOM 0 H SER A 61 5.226 10.321 -4.257 1.00 0.00 H new ATOM 0 HA SER A 61 7.684 9.226 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.247 9.326 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.592 8.204 -7.239 1.00 0.00 H new ATOM 0 HG SER A 61 5.656 6.947 -5.737 1.00 0.00 H new ATOM 980 N PRO A 62 7.973 11.281 -6.887 1.00 0.00 N ATOM 981 CA PRO A 62 8.233 12.562 -7.549 1.00 0.00 C ATOM 982 C PRO A 62 7.534 12.693 -8.898 1.00 0.00 C ATOM 983 O PRO A 62 7.574 13.757 -9.517 1.00 0.00 O ATOM 984 CB PRO A 62 9.741 12.546 -7.734 1.00 0.00 C ATOM 985 CG PRO A 62 10.081 11.110 -7.895 1.00 0.00 C ATOM 986 CD PRO A 62 9.119 10.361 -7.016 1.00 0.00 C ATOM 0 HA PRO A 62 7.858 13.403 -6.965 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.040 13.125 -8.608 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.251 12.981 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.984 10.799 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.112 10.917 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.823 9.413 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.559 10.131 -6.046 1.00 0.00 H new ATOM 994 N ASP A 63 6.885 11.624 -9.353 1.00 0.00 N ATOM 995 CA ASP A 63 6.184 11.664 -10.627 1.00 0.00 C ATOM 996 C ASP A 63 4.857 10.921 -10.518 1.00 0.00 C ATOM 997 O ASP A 63 4.759 9.934 -9.790 1.00 0.00 O ATOM 998 CB ASP A 63 7.044 11.044 -11.730 1.00 0.00 C ATOM 999 CG ASP A 63 7.500 9.640 -11.387 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.132 9.464 -10.323 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.226 8.715 -12.181 1.00 0.00 O ATOM 0 H ASP A 63 6.832 10.731 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 63 5.987 12.705 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.476 11.022 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.916 11.674 -11.904 1.00 0.00 H new ATOM 1006 N GLU A 64 3.830 11.386 -11.232 1.00 0.00 N ATOM 1007 CA GLU A 64 2.527 10.713 -11.163 1.00 0.00 C ATOM 1008 C GLU A 64 2.641 9.271 -11.664 1.00 0.00 C ATOM 1009 O GLU A 64 2.110 8.360 -11.034 1.00 0.00 O ATOM 1010 CB GLU A 64 1.430 11.464 -11.928 1.00 0.00 C ATOM 1011 CG GLU A 64 0.070 11.281 -11.289 1.00 0.00 C ATOM 1012 CD GLU A 64 -1.044 11.137 -12.305 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -1.242 10.013 -12.814 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -1.720 12.147 -12.594 1.00 0.00 O ATOM 0 H GLU A 64 3.868 12.199 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 64 2.231 10.706 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.674 12.526 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.398 11.109 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.090 10.397 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.141 12.134 -10.645 1.00 0.00 H new ATOM 1021 N ASP A 65 3.353 9.048 -12.778 1.00 0.00 N ATOM 1022 CA ASP A 65 3.533 7.693 -13.295 1.00 0.00 C ATOM 1023 C ASP A 65 3.963 6.785 -12.152 1.00 0.00 C ATOM 1024 O ASP A 65 3.315 5.782 -11.856 1.00 0.00 O ATOM 1025 CB ASP A 65 4.603 7.684 -14.382 1.00 0.00 C ATOM 1026 CG ASP A 65 4.680 6.358 -15.111 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.216 5.391 -14.530 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.203 6.285 -16.264 1.00 0.00 O ATOM 0 H ASP A 65 3.805 9.779 -13.328 1.00 0.00 H new ATOM 0 HA ASP A 65 2.595 7.339 -13.722 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.394 8.477 -15.099 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.572 7.906 -13.935 1.00 0.00 H new ATOM 1033 N SER A 66 5.036 7.190 -11.478 1.00 0.00 N ATOM 1034 CA SER A 66 5.530 6.458 -10.318 1.00 0.00 C ATOM 1035 C SER A 66 4.424 6.417 -9.271 1.00 0.00 C ATOM 1036 O SER A 66 3.983 5.357 -8.834 1.00 0.00 O ATOM 1037 CB SER A 66 6.769 7.145 -9.739 1.00 0.00 C ATOM 1038 OG SER A 66 7.288 6.418 -8.638 1.00 0.00 O ATOM 0 H SER A 66 5.579 8.020 -11.716 1.00 0.00 H new ATOM 0 HA SER A 66 5.809 5.447 -10.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.533 7.236 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.514 8.156 -9.423 1.00 0.00 H new ATOM 0 HG SER A 66 8.258 6.550 -8.587 1.00 0.00 H new ATOM 1044 N LEU A 67 3.982 7.614 -8.909 1.00 0.00 N ATOM 1045 CA LEU A 67 2.912 7.831 -7.938 1.00 0.00 C ATOM 1046 C LEU A 67 1.776 6.823 -8.109 1.00 0.00 C ATOM 1047 O LEU A 67 1.477 6.061 -7.189 1.00 0.00 O ATOM 1048 CB LEU A 67 2.417 9.284 -8.108 1.00 0.00 C ATOM 1049 CG LEU A 67 1.091 9.678 -7.453 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.877 11.176 -7.587 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.091 8.936 -8.061 1.00 0.00 C ATOM 0 H LEU A 67 4.364 8.480 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 67 3.290 7.680 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.190 9.947 -7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.333 9.484 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 67 1.150 9.401 -6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.068 11.452 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.693 11.706 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.852 11.447 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.010 9.248 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.157 9.166 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.046 7.863 -7.929 1.00 0.00 H new ATOM 1063 N ALA A 68 1.146 6.811 -9.274 1.00 0.00 N ATOM 1064 CA ALA A 68 0.053 5.884 -9.519 1.00 0.00 C ATOM 1065 C ALA A 68 0.562 4.451 -9.494 1.00 0.00 C ATOM 1066 O ALA A 68 -0.133 3.542 -9.042 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.623 6.192 -10.847 1.00 0.00 C ATOM 0 H ALA A 68 1.370 7.426 -10.057 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.687 6.002 -8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.438 5.488 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.019 7.207 -10.827 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.104 6.102 -11.655 1.00 0.00 H new ATOM 1073 N HIS A 69 1.792 4.258 -9.964 1.00 0.00 N ATOM 1074 CA HIS A 69 2.402 2.936 -9.975 1.00 0.00 C ATOM 1075 C HIS A 69 2.392 2.350 -8.570 1.00 0.00 C ATOM 1076 O HIS A 69 2.163 1.157 -8.382 1.00 0.00 O ATOM 1077 CB HIS A 69 3.837 3.011 -10.502 1.00 0.00 C ATOM 1078 CG HIS A 69 4.375 1.692 -10.961 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.517 1.569 -11.724 1.00 0.00 N ATOM 1080 CD2 HIS A 69 3.921 0.432 -10.760 1.00 0.00 C ATOM 1081 CE1 HIS A 69 5.742 0.291 -11.973 1.00 0.00 C ATOM 1082 NE2 HIS A 69 4.789 -0.419 -11.399 1.00 0.00 N ATOM 0 H HIS A 69 2.382 5.000 -10.341 1.00 0.00 H new ATOM 0 HA HIS A 69 1.824 2.290 -10.636 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.875 3.718 -11.331 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.483 3.405 -9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.041 0.149 -10.202 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.566 -0.105 -12.548 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.710 -1.436 -11.426 1.00 0.00 H new ATOM 1091 N MET A 70 2.644 3.208 -7.586 1.00 0.00 N ATOM 1092 CA MET A 70 2.666 2.787 -6.186 1.00 0.00 C ATOM 1093 C MET A 70 1.247 2.638 -5.623 1.00 0.00 C ATOM 1094 O MET A 70 0.881 1.565 -5.143 1.00 0.00 O ATOM 1095 CB MET A 70 3.459 3.791 -5.334 1.00 0.00 C ATOM 1096 CG MET A 70 4.548 4.540 -6.089 1.00 0.00 C ATOM 1097 SD MET A 70 5.597 3.453 -7.075 1.00 0.00 S ATOM 1098 CE MET A 70 6.740 2.864 -5.828 1.00 0.00 C ATOM 0 H MET A 70 2.836 4.199 -7.731 1.00 0.00 H new ATOM 0 HA MET A 70 3.155 1.814 -6.144 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.764 4.516 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.914 3.259 -4.499 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.086 5.281 -6.742 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.167 5.085 -5.377 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.455 2.179 -6.284 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.274 3.710 -5.395 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.188 2.344 -5.045 1.00 0.00 H new ATOM 1108 N GLN A 71 0.451 3.713 -5.667 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.916 3.663 -5.138 1.00 0.00 C ATOM 1110 C GLN A 71 -1.722 2.523 -5.757 1.00 0.00 C ATOM 1111 O GLN A 71 -2.624 1.980 -5.119 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.674 4.994 -5.314 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.339 5.781 -6.564 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.583 6.214 -7.320 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -2.900 7.402 -7.388 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -3.294 5.249 -7.892 1.00 0.00 N ATOM 0 H GLN A 71 0.725 4.615 -6.057 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.810 3.480 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.744 4.784 -5.315 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.473 5.623 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.757 6.661 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.712 5.173 -7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.994 4.278 -7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.140 5.479 -8.413 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.397 2.154 -6.993 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.105 1.071 -7.669 1.00 0.00 C ATOM 1127 C ASN A 72 -1.587 -0.288 -7.208 1.00 0.00 C ATOM 1128 O ASN A 72 -2.368 -1.208 -6.962 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.968 1.198 -9.186 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.160 0.622 -9.924 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.852 -0.260 -9.416 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.407 1.120 -11.130 1.00 0.00 N ATOM 0 H ASN A 72 -0.654 2.585 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.160 1.147 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.853 2.249 -9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.062 0.687 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.197 0.772 -11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.807 1.851 -11.513 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.265 -0.410 -7.087 1.00 0.00 N ATOM 1140 CA VAL A 73 0.357 -1.656 -6.650 1.00 0.00 C ATOM 1141 C VAL A 73 -0.354 -2.217 -5.417 1.00 0.00 C ATOM 1142 O VAL A 73 -0.608 -3.418 -5.329 1.00 0.00 O ATOM 1143 CB VAL A 73 1.858 -1.447 -6.340 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.401 -2.545 -5.434 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.659 -1.380 -7.631 1.00 0.00 C ATOM 0 H VAL A 73 0.395 0.341 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 73 0.265 -2.374 -7.465 1.00 0.00 H new ATOM 0 HB VAL A 73 1.960 -0.500 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.458 -2.365 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.852 -2.544 -4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.282 -3.512 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.713 -1.233 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.536 -2.311 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.302 -0.548 -8.238 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.679 -1.338 -4.475 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.368 -1.754 -3.255 1.00 0.00 C ATOM 1157 C VAL A 74 -2.806 -2.168 -3.562 1.00 0.00 C ATOM 1158 O VAL A 74 -3.262 -3.219 -3.109 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.373 -0.641 -2.184 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -2.158 -1.072 -0.949 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.048 -0.251 -1.797 1.00 0.00 C ATOM 0 H VAL A 74 -0.479 -0.339 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.818 -2.607 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.865 0.231 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.145 -0.270 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.188 -1.290 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.702 -1.965 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.017 0.534 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.567 -1.121 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.578 0.113 -2.677 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.518 -1.352 -4.349 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.895 -1.665 -4.720 1.00 0.00 C ATOM 1173 C ALA A 75 -4.988 -3.102 -5.214 1.00 0.00 C ATOM 1174 O ALA A 75 -6.032 -3.747 -5.106 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.398 -0.704 -5.790 1.00 0.00 C ATOM 0 H ALA A 75 -3.163 -0.478 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.525 -1.552 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.426 -0.956 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.360 0.317 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.768 -0.784 -6.676 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.874 -3.595 -5.746 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.803 -4.959 -6.251 1.00 0.00 C ATOM 1183 C ASP A 76 -3.677 -5.955 -5.100 1.00 0.00 C ATOM 1184 O ASP A 76 -4.290 -7.022 -5.121 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.615 -5.109 -7.204 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.933 -6.004 -8.386 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -4.113 -6.059 -8.789 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.000 -6.650 -8.908 1.00 0.00 O ATOM 0 H ASP A 76 -3.006 -3.067 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.724 -5.171 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.317 -4.125 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.765 -5.519 -6.659 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.871 -5.604 -4.100 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.657 -6.473 -2.945 1.00 0.00 C ATOM 1195 C HIS A 77 -3.958 -6.719 -2.177 1.00 0.00 C ATOM 1196 O HIS A 77 -4.235 -7.846 -1.766 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.594 -5.881 -2.014 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.327 -5.500 -2.718 1.00 0.00 C ATOM 1199 ND1 HIS A 77 -0.091 -5.780 -4.047 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.779 -4.861 -2.268 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.106 -5.331 -4.384 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.654 -4.768 -3.323 1.00 0.00 N ATOM 0 H HIS A 77 -2.356 -4.724 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.303 -7.434 -3.319 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.005 -5.000 -1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.363 -6.605 -1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.943 -4.493 -1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.559 -5.411 -5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.577 -4.335 -3.292 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.760 -5.671 -1.990 1.00 0.00 N ATOM 1212 CA LEU A 78 -6.025 -5.803 -1.281 1.00 0.00 C ATOM 1213 C LEU A 78 -6.955 -6.755 -2.029 1.00 0.00 C ATOM 1214 O LEU A 78 -7.838 -7.373 -1.434 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.693 -4.430 -1.117 1.00 0.00 C ATOM 1216 CG LEU A 78 -6.004 -3.456 -0.146 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.936 -2.304 0.193 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.566 -4.171 1.124 1.00 0.00 C ATOM 0 H LEU A 78 -4.555 -4.728 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.825 -6.214 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.749 -3.956 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.718 -4.585 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.115 -3.059 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.436 -1.622 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.201 -1.770 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.840 -2.693 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.082 -3.460 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.437 -4.600 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.865 -4.966 0.871 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.746 -6.873 -3.339 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.560 -7.756 -4.169 1.00 0.00 C ATOM 1232 C GLN A 79 -7.210 -9.219 -3.922 1.00 0.00 C ATOM 1233 O GLN A 79 -8.078 -10.030 -3.598 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.367 -7.426 -5.650 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.461 -5.941 -5.964 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.482 -5.633 -7.043 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.129 -6.532 -7.578 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.629 -4.354 -7.370 1.00 0.00 N ATOM 0 H GLN A 79 -6.020 -6.368 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.604 -7.597 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.393 -7.795 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.118 -7.960 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.723 -5.398 -5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.483 -5.578 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.072 -3.640 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.299 -4.086 -8.090 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.932 -9.551 -4.082 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.462 -10.913 -3.883 1.00 0.00 C ATOM 1249 C ARG A 80 -5.885 -11.444 -2.514 1.00 0.00 C ATOM 1250 O ARG A 80 -6.188 -12.628 -2.366 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.938 -10.954 -4.038 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.272 -12.133 -3.351 1.00 0.00 C ATOM 1253 CD ARG A 80 -1.980 -12.525 -4.049 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.322 -13.653 -3.394 1.00 0.00 N ATOM 1255 CZ ARG A 80 -0.405 -14.419 -3.981 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -0.033 -14.181 -5.233 1.00 0.00 N ATOM 1257 NH2 ARG A 80 0.142 -15.426 -3.314 1.00 0.00 N ATOM 0 H ARG A 80 -5.203 -8.890 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.914 -11.557 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.693 -10.981 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.519 -10.031 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.063 -11.880 -2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.954 -12.983 -3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.193 -12.783 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.303 -11.671 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.580 -13.866 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.450 -13.408 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.670 -14.772 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.140 -15.613 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.845 -16.013 -3.763 1.00 0.00 H new ATOM 1271 N MET A 81 -5.900 -10.566 -1.515 1.00 0.00 N ATOM 1272 CA MET A 81 -6.285 -10.966 -0.166 1.00 0.00 C ATOM 1273 C MET A 81 -7.804 -11.023 -0.003 1.00 0.00 C ATOM 1274 O MET A 81 -8.309 -11.587 0.969 1.00 0.00 O ATOM 1275 CB MET A 81 -5.665 -10.024 0.876 1.00 0.00 C ATOM 1276 CG MET A 81 -6.097 -8.564 0.769 1.00 0.00 C ATOM 1277 SD MET A 81 -7.793 -8.280 1.316 1.00 0.00 S ATOM 1278 CE MET A 81 -7.581 -6.811 2.317 1.00 0.00 C ATOM 0 H MET A 81 -5.652 -9.581 -1.613 1.00 0.00 H new ATOM 0 HA MET A 81 -5.899 -11.972 -0.001 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.920 -10.390 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.580 -10.073 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.423 -7.948 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.997 -8.238 -0.266 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.862 -7.029 3.347 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.538 -6.496 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 81 -8.214 -6.012 1.930 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.542 -4.860 -5.760 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.298 -3.983 -4.601 1.00 0.00 C ATOM 1351 C LEU A 87 -11.911 -2.602 -4.753 1.00 0.00 C ATOM 1352 O LEU A 87 -11.378 -1.756 -5.473 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.799 -3.800 -4.327 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.293 -4.332 -2.982 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.435 -3.257 -1.915 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -10.023 -5.600 -2.551 1.00 0.00 C ATOM 0 HA LEU A 87 -11.778 -4.494 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.241 -4.293 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.566 -2.737 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.242 -4.591 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.074 -3.641 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.850 -2.383 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.484 -2.976 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.629 -5.938 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.088 -5.391 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.874 -6.378 -3.300 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.989 -2.349 -4.032 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.596 -1.037 -4.072 1.00 0.00 C ATOM 1370 C GLU A 88 -12.673 -0.073 -3.342 1.00 0.00 C ATOM 1371 O GLU A 88 -12.680 -0.005 -2.114 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.971 -1.057 -3.406 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.717 0.264 -3.505 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.192 0.080 -3.803 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.975 -0.084 -2.845 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.564 0.101 -4.996 1.00 0.00 O ATOM 0 H GLU A 88 -13.453 -3.023 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.735 -0.723 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.575 -1.841 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.852 -1.319 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.605 0.811 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.265 0.874 -4.287 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.862 0.656 -4.099 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.922 1.593 -3.503 1.00 0.00 C ATOM 1385 C ILE A 89 -10.961 2.941 -4.217 1.00 0.00 C ATOM 1386 O ILE A 89 -10.839 2.998 -5.441 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.466 1.029 -3.507 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.762 1.227 -4.863 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.468 -0.445 -3.145 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -9.120 0.183 -5.899 1.00 0.00 C ATOM 0 H ILE A 89 -11.837 0.616 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.229 1.736 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.908 1.592 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.016 2.213 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.683 1.214 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.446 -0.823 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.896 -0.575 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.064 -0.997 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.585 0.391 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.840 -0.805 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.193 0.210 -6.087 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.108 4.032 -3.465 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.122 5.345 -4.087 1.00 0.00 C ATOM 1404 C ALA A 90 -9.751 5.982 -3.964 1.00 0.00 C ATOM 1405 O ALA A 90 -9.316 6.349 -2.873 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.182 6.249 -3.464 1.00 0.00 C ATOM 0 H ALA A 90 -11.216 4.030 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.373 5.220 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.164 7.222 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.166 5.797 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.975 6.374 -2.401 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.074 6.107 -5.093 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.746 6.699 -5.121 1.00 0.00 C ATOM 1414 C TRP A 91 -7.829 8.195 -5.392 1.00 0.00 C ATOM 1415 O TRP A 91 -8.548 8.636 -6.288 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.883 6.024 -6.187 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.535 5.973 -7.535 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.222 4.923 -8.074 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.564 7.018 -8.514 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.676 5.251 -9.329 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.284 6.532 -9.623 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -7.051 8.317 -8.563 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.503 7.299 -10.764 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -7.269 9.078 -9.696 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.989 8.567 -10.782 1.00 0.00 C ATOM 0 H TRP A 91 -9.422 5.806 -6.003 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.286 6.546 -4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.936 6.558 -6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.649 5.009 -5.866 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.385 3.974 -7.585 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.217 4.641 -9.942 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.494 8.719 -7.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.058 6.908 -11.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.877 10.083 -9.744 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -8.142 9.187 -11.653 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.085 8.969 -4.613 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.075 10.418 -4.772 1.00 0.00 C ATOM 1438 C GLN A 92 -6.001 10.841 -5.770 1.00 0.00 C ATOM 1439 O GLN A 92 -4.992 10.157 -5.938 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.835 11.101 -3.424 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.987 10.940 -2.446 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.539 11.021 -0.999 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -8.000 10.256 -0.152 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -6.637 11.950 -0.710 1.00 0.00 N ATOM 0 H GLN A 92 -6.483 8.620 -3.867 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.048 10.726 -5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.929 10.693 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.657 12.163 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.731 11.714 -2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.474 9.980 -2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.282 12.563 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.298 12.052 0.247 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.213 11.979 -6.456 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.268 12.493 -7.452 1.00 0.00 C ATOM 1455 C PRO A 93 -3.827 12.493 -6.958 1.00 0.00 C ATOM 1456 O PRO A 93 -2.904 12.228 -7.726 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.737 13.925 -7.669 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.199 13.892 -7.384 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.397 12.849 -6.317 1.00 0.00 C ATOM 0 HA PRO A 93 -5.261 11.877 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.219 14.616 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.540 14.256 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.551 14.866 -7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.765 13.642 -8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.451 13.296 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.323 12.293 -6.467 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.649 12.810 -5.672 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.324 12.868 -5.047 1.00 0.00 C ATOM 1469 C ALA A 94 -1.805 14.302 -5.000 1.00 0.00 C ATOM 1470 O ALA A 94 -0.597 14.535 -5.004 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.317 11.977 -5.769 1.00 0.00 C ATOM 0 H ALA A 94 -4.416 13.033 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.437 12.497 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.348 12.048 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.662 10.943 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.221 12.302 -6.805 1.00 0.00 H new