USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 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 28 HIS : no HD1:sc= -0.02 K(o=0.097,f=-9.1!) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0246 (180deg=-0.216) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0128 (180deg=-0.187) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -100:sc= 0.178 USER MOD Single : A 4 THR OG1 : rot 140:sc= 0 USER MOD Single : A 10 THR OG1 : rot 82:sc= 0.45 USER MOD Single : A 15 THR OG1 : rot 82:sc= 0.962 USER MOD Single : A 16 CYS SG : rot -25:sc= -1.57 USER MOD Single : A 22 THR OG1 : rot -23:sc= 1.13 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 27 SER OG : rot -47:sc= 1.3 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.028) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0355) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.775 USER MOD Single : A 62 GLN : amide:sc= 0.0607 X(o=0.061,f=-0.35) USER MOD Single : A 65 ASN : amide:sc=-0.000264 K(o=-0.00026,f=-0.82) USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00107) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.45) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HE2:sc= -0.0438 K(o=-0.044,f=-1.4) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.027 K(o=-0.027,f=-0.82) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.257 0.489 5.772 1.00 0.00 N ATOM 2 CA MET A 1 -15.390 -0.164 4.765 1.00 0.00 C ATOM 3 C MET A 1 -14.069 0.613 4.654 1.00 0.00 C ATOM 4 O MET A 1 -14.022 1.694 4.054 1.00 0.00 O ATOM 5 CB MET A 1 -16.109 -0.256 3.389 1.00 0.00 C ATOM 6 CG MET A 1 -17.432 -1.035 3.420 1.00 0.00 C ATOM 7 SD MET A 1 -18.276 -1.097 1.820 1.00 0.00 S ATOM 8 CE MET A 1 -17.118 -2.022 0.807 1.00 0.00 C ATOM 0 H1 MET A 1 -17.047 -0.143 6.012 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.703 0.691 6.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.631 1.378 5.384 1.00 0.00 H new ATOM 0 HA MET A 1 -15.174 -1.184 5.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.303 0.753 3.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.438 -0.730 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.237 -2.053 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.096 -0.578 4.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.602 -2.313 -0.125 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.250 -1.401 0.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.798 -2.915 1.344 1.00 0.00 H new ATOM 20 N THR A 2 -13.012 0.077 5.286 1.00 0.00 N ATOM 21 CA THR A 2 -11.669 0.669 5.291 1.00 0.00 C ATOM 22 C THR A 2 -10.646 -0.477 5.149 1.00 0.00 C ATOM 23 O THR A 2 -10.185 -1.051 6.142 1.00 0.00 O ATOM 24 CB THR A 2 -11.425 1.509 6.600 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.489 2.467 6.752 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.069 2.255 6.594 1.00 0.00 C ATOM 0 H THR A 2 -13.070 -0.793 5.815 1.00 0.00 H new ATOM 0 HA THR A 2 -11.559 1.363 4.458 1.00 0.00 H new ATOM 0 HB THR A 2 -11.405 0.807 7.434 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.343 2.992 7.567 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.958 2.816 7.522 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.257 1.533 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.035 2.942 5.748 1.00 0.00 H new ATOM 34 N SER A 3 -10.377 -0.842 3.884 1.00 0.00 N ATOM 35 CA SER A 3 -9.511 -1.978 3.514 1.00 0.00 C ATOM 36 C SER A 3 -8.019 -1.565 3.538 1.00 0.00 C ATOM 37 O SER A 3 -7.687 -0.444 3.968 1.00 0.00 O ATOM 38 CB SER A 3 -9.957 -2.493 2.110 1.00 0.00 C ATOM 39 OG SER A 3 -9.266 -3.667 1.717 1.00 0.00 O ATOM 0 H SER A 3 -10.760 -0.350 3.077 1.00 0.00 H new ATOM 0 HA SER A 3 -9.615 -2.786 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.028 -2.693 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.788 -1.711 1.369 1.00 0.00 H new ATOM 0 HG SER A 3 -8.546 -3.430 1.096 1.00 0.00 H new ATOM 45 N THR A 4 -7.135 -2.488 3.083 1.00 0.00 N ATOM 46 CA THR A 4 -5.672 -2.294 3.052 1.00 0.00 C ATOM 47 C THR A 4 -5.281 -0.958 2.383 1.00 0.00 C ATOM 48 O THR A 4 -4.599 -0.143 2.997 1.00 0.00 O ATOM 49 CB THR A 4 -4.979 -3.488 2.305 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.334 -4.733 2.934 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.446 -3.354 2.280 1.00 0.00 C ATOM 0 H THR A 4 -7.426 -3.397 2.724 1.00 0.00 H new ATOM 0 HA THR A 4 -5.327 -2.263 4.085 1.00 0.00 H new ATOM 0 HB THR A 4 -5.333 -3.468 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.491 -5.414 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.015 -4.205 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.170 -2.432 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.066 -3.331 3.301 1.00 0.00 H new ATOM 59 N PHE A 5 -5.788 -0.730 1.154 1.00 0.00 N ATOM 60 CA PHE A 5 -5.495 0.491 0.366 1.00 0.00 C ATOM 61 C PHE A 5 -5.873 1.781 1.133 1.00 0.00 C ATOM 62 O PHE A 5 -5.129 2.750 1.090 1.00 0.00 O ATOM 63 CB PHE A 5 -6.211 0.443 -1.022 1.00 0.00 C ATOM 64 CG PHE A 5 -6.291 1.800 -1.723 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.157 2.394 -2.261 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.498 2.509 -1.780 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.223 3.646 -2.826 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.559 3.758 -2.357 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.421 4.327 -2.873 1.00 0.00 C ATOM 0 H PHE A 5 -6.411 -1.383 0.679 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.418 0.516 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.684 -0.259 -1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.220 0.055 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.214 1.868 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.393 2.070 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.332 4.098 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.499 4.288 -2.403 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.464 5.311 -3.317 1.00 0.00 H new ATOM 79 N ASP A 6 -7.036 1.776 1.806 1.00 0.00 N ATOM 80 CA ASP A 6 -7.542 2.958 2.560 1.00 0.00 C ATOM 81 C ASP A 6 -6.544 3.370 3.658 1.00 0.00 C ATOM 82 O ASP A 6 -6.265 4.567 3.849 1.00 0.00 O ATOM 83 CB ASP A 6 -8.917 2.650 3.190 1.00 0.00 C ATOM 84 CG ASP A 6 -10.004 2.317 2.154 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.063 1.155 1.691 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.806 3.210 1.803 1.00 0.00 O ATOM 0 H ASP A 6 -7.654 0.966 1.849 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.652 3.785 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.813 1.811 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.239 3.509 3.780 1.00 0.00 H new ATOM 91 N ARG A 7 -6.001 2.347 4.350 1.00 0.00 N ATOM 92 CA ARG A 7 -4.964 2.525 5.385 1.00 0.00 C ATOM 93 C ARG A 7 -3.694 3.146 4.779 1.00 0.00 C ATOM 94 O ARG A 7 -3.151 4.107 5.318 1.00 0.00 O ATOM 95 CB ARG A 7 -4.597 1.167 6.045 1.00 0.00 C ATOM 96 CG ARG A 7 -5.783 0.375 6.637 1.00 0.00 C ATOM 97 CD ARG A 7 -6.468 1.087 7.813 1.00 0.00 C ATOM 98 NE ARG A 7 -7.547 0.251 8.392 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.398 0.628 9.361 1.00 0.00 C ATOM 100 NH1 ARG A 7 -8.348 1.856 9.869 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.310 -0.226 9.798 1.00 0.00 N ATOM 0 H ARG A 7 -6.270 1.374 4.206 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.371 3.194 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.101 0.543 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.874 1.352 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.518 0.196 5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.428 -0.601 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.730 1.317 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.882 2.037 7.475 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.653 -0.694 8.022 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.658 2.523 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.999 2.131 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.363 -1.163 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.959 0.053 10.533 1.00 0.00 H new ATOM 115 N VAL A 8 -3.271 2.598 3.623 1.00 0.00 N ATOM 116 CA VAL A 8 -2.010 2.955 2.953 1.00 0.00 C ATOM 117 C VAL A 8 -2.075 4.375 2.366 1.00 0.00 C ATOM 118 O VAL A 8 -1.101 5.109 2.422 1.00 0.00 O ATOM 119 CB VAL A 8 -1.686 1.924 1.815 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.386 2.283 1.058 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.608 0.497 2.387 1.00 0.00 C ATOM 0 H VAL A 8 -3.804 1.886 3.124 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.216 2.928 3.700 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.501 1.969 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.202 1.542 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.490 3.268 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.451 2.292 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.383 -0.205 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.823 0.450 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.563 0.234 2.841 1.00 0.00 H new ATOM 131 N ALA A 9 -3.243 4.730 1.809 1.00 0.00 N ATOM 132 CA ALA A 9 -3.506 6.054 1.223 1.00 0.00 C ATOM 133 C ALA A 9 -3.352 7.142 2.293 1.00 0.00 C ATOM 134 O ALA A 9 -2.774 8.196 2.034 1.00 0.00 O ATOM 135 CB ALA A 9 -4.918 6.095 0.599 1.00 0.00 C ATOM 0 H ALA A 9 -4.042 4.098 1.752 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.780 6.241 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.098 7.081 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.992 5.340 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.662 5.894 1.369 1.00 0.00 H new ATOM 141 N THR A 10 -3.882 6.850 3.501 1.00 0.00 N ATOM 142 CA THR A 10 -3.749 7.716 4.688 1.00 0.00 C ATOM 143 C THR A 10 -2.268 7.849 5.125 1.00 0.00 C ATOM 144 O THR A 10 -1.804 8.963 5.402 1.00 0.00 O ATOM 145 CB THR A 10 -4.632 7.170 5.864 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.009 7.108 5.442 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.527 8.027 7.143 1.00 0.00 C ATOM 0 H THR A 10 -4.417 6.000 3.679 1.00 0.00 H new ATOM 0 HA THR A 10 -4.104 8.712 4.422 1.00 0.00 H new ATOM 0 HB THR A 10 -4.258 6.176 6.111 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.157 6.288 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.160 7.599 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.492 8.044 7.486 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.854 9.044 6.927 1.00 0.00 H new ATOM 155 N ILE A 11 -1.528 6.712 5.161 1.00 0.00 N ATOM 156 CA ILE A 11 -0.080 6.689 5.492 1.00 0.00 C ATOM 157 C ILE A 11 0.715 7.610 4.541 1.00 0.00 C ATOM 158 O ILE A 11 1.468 8.480 4.994 1.00 0.00 O ATOM 159 CB ILE A 11 0.489 5.214 5.438 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.175 4.329 6.545 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.035 5.180 5.551 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.183 2.846 6.506 1.00 0.00 C ATOM 0 H ILE A 11 -1.916 5.790 4.963 1.00 0.00 H new ATOM 0 HA ILE A 11 0.037 7.063 6.509 1.00 0.00 H new ATOM 0 HB ILE A 11 0.234 4.801 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.106 4.727 7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.257 4.425 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.380 4.147 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.473 5.742 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.341 5.627 6.497 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.330 2.326 7.315 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.125 2.422 5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.260 2.728 6.625 1.00 0.00 H new ATOM 174 N ILE A 12 0.509 7.418 3.229 1.00 0.00 N ATOM 175 CA ILE A 12 1.167 8.212 2.179 1.00 0.00 C ATOM 176 C ILE A 12 0.859 9.713 2.358 1.00 0.00 C ATOM 177 O ILE A 12 1.778 10.528 2.418 1.00 0.00 O ATOM 178 CB ILE A 12 0.731 7.736 0.735 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.223 6.279 0.470 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.226 8.702 -0.372 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.965 5.746 -0.929 1.00 0.00 C ATOM 0 H ILE A 12 -0.122 6.704 2.864 1.00 0.00 H new ATOM 0 HA ILE A 12 2.242 8.058 2.276 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.358 7.748 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.295 6.235 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.741 5.615 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.903 8.335 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.809 9.695 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.314 8.757 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.345 4.727 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.107 5.749 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.471 6.378 -1.658 1.00 0.00 H new ATOM 193 N ALA A 13 -0.448 10.032 2.456 1.00 0.00 N ATOM 194 CA ALA A 13 -0.975 11.406 2.622 1.00 0.00 C ATOM 195 C ALA A 13 -0.229 12.212 3.710 1.00 0.00 C ATOM 196 O ALA A 13 0.299 13.305 3.445 1.00 0.00 O ATOM 197 CB ALA A 13 -2.475 11.337 2.956 1.00 0.00 C ATOM 0 H ALA A 13 -1.184 9.327 2.421 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.816 11.931 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.867 12.347 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.006 10.838 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.616 10.778 3.881 1.00 0.00 H new ATOM 203 N GLU A 14 -0.184 11.631 4.917 1.00 0.00 N ATOM 204 CA GLU A 14 0.405 12.278 6.111 1.00 0.00 C ATOM 205 C GLU A 14 1.950 12.338 6.043 1.00 0.00 C ATOM 206 O GLU A 14 2.572 13.173 6.709 1.00 0.00 O ATOM 207 CB GLU A 14 -0.068 11.549 7.398 1.00 0.00 C ATOM 208 CG GLU A 14 -1.594 11.450 7.531 1.00 0.00 C ATOM 209 CD GLU A 14 -2.034 10.794 8.851 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.745 9.596 9.050 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.648 11.483 9.702 1.00 0.00 O ATOM 0 H GLU A 14 -0.554 10.698 5.099 1.00 0.00 H new ATOM 0 HA GLU A 14 0.053 13.309 6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.354 10.544 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.330 12.073 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.026 12.449 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.991 10.875 6.694 1.00 0.00 H new ATOM 218 N THR A 15 2.562 11.442 5.244 1.00 0.00 N ATOM 219 CA THR A 15 4.027 11.424 5.035 1.00 0.00 C ATOM 220 C THR A 15 4.453 12.349 3.865 1.00 0.00 C ATOM 221 O THR A 15 5.574 12.860 3.850 1.00 0.00 O ATOM 222 CB THR A 15 4.535 9.961 4.773 1.00 0.00 C ATOM 223 OG1 THR A 15 4.091 9.104 5.837 1.00 0.00 O ATOM 224 CG2 THR A 15 6.071 9.879 4.681 1.00 0.00 C ATOM 0 H THR A 15 2.063 10.717 4.729 1.00 0.00 H new ATOM 0 HA THR A 15 4.486 11.802 5.948 1.00 0.00 H new ATOM 0 HB THR A 15 4.123 9.643 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.166 8.826 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.370 8.847 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.421 10.508 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.511 10.225 5.617 1.00 0.00 H new ATOM 232 N CYS A 16 3.545 12.597 2.906 1.00 0.00 N ATOM 233 CA CYS A 16 3.894 13.228 1.609 1.00 0.00 C ATOM 234 C CYS A 16 3.263 14.635 1.465 1.00 0.00 C ATOM 235 O CYS A 16 3.488 15.305 0.450 1.00 0.00 O ATOM 236 CB CYS A 16 3.450 12.302 0.452 1.00 0.00 C ATOM 237 SG CYS A 16 3.773 12.942 -1.209 1.00 0.00 S ATOM 0 H CYS A 16 2.555 12.370 3.000 1.00 0.00 H new ATOM 0 HA CYS A 16 4.975 13.362 1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.956 11.343 0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.381 12.111 0.550 1.00 0.00 H new ATOM 0 HG CYS A 16 3.824 14.240 -1.171 1.00 0.00 H new ATOM 243 N ASP A 17 2.481 15.073 2.491 1.00 0.00 N ATOM 244 CA ASP A 17 1.773 16.386 2.504 1.00 0.00 C ATOM 245 C ASP A 17 0.790 16.513 1.319 1.00 0.00 C ATOM 246 O ASP A 17 0.777 17.513 0.588 1.00 0.00 O ATOM 247 CB ASP A 17 2.774 17.583 2.546 1.00 0.00 C ATOM 248 CG ASP A 17 3.621 17.615 3.828 1.00 0.00 C ATOM 249 OD1 ASP A 17 4.619 16.873 3.902 1.00 0.00 O ATOM 250 OD2 ASP A 17 3.292 18.366 4.775 1.00 0.00 O ATOM 0 H ASP A 17 2.323 14.523 3.336 1.00 0.00 H new ATOM 0 HA ASP A 17 1.186 16.424 3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.436 17.526 1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.218 18.517 2.461 1.00 0.00 H new ATOM 255 N ILE A 18 -0.056 15.485 1.159 1.00 0.00 N ATOM 256 CA ILE A 18 -1.042 15.396 0.062 1.00 0.00 C ATOM 257 C ILE A 18 -2.387 14.863 0.603 1.00 0.00 C ATOM 258 O ILE A 18 -2.413 14.229 1.662 1.00 0.00 O ATOM 259 CB ILE A 18 -0.520 14.493 -1.125 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.051 13.089 -0.619 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.598 15.206 -1.918 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.495 12.171 -1.701 1.00 0.00 C ATOM 0 H ILE A 18 -0.079 14.684 1.790 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.191 16.399 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.357 14.329 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.718 13.230 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.892 12.594 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.938 14.561 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.213 16.137 -2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.434 15.424 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.795 11.222 -1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.276 11.993 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.359 12.639 -2.173 1.00 0.00 H new ATOM 274 N PRO A 19 -3.539 15.161 -0.085 1.00 0.00 N ATOM 275 CA PRO A 19 -4.854 14.562 0.259 1.00 0.00 C ATOM 276 C PRO A 19 -4.906 13.083 -0.163 1.00 0.00 C ATOM 277 O PRO A 19 -4.597 12.774 -1.306 1.00 0.00 O ATOM 278 CB PRO A 19 -5.877 15.417 -0.560 1.00 0.00 C ATOM 279 CG PRO A 19 -5.099 16.601 -1.061 1.00 0.00 C ATOM 280 CD PRO A 19 -3.679 16.115 -1.224 1.00 0.00 C ATOM 0 HA PRO A 19 -5.060 14.574 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.295 14.843 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.713 15.732 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.501 16.962 -2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.151 17.431 -0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.524 15.626 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.960 16.932 -1.162 1.00 0.00 H new ATOM 288 N ARG A 20 -5.339 12.183 0.740 1.00 0.00 N ATOM 289 CA ARG A 20 -5.403 10.731 0.456 1.00 0.00 C ATOM 290 C ARG A 20 -6.484 10.413 -0.596 1.00 0.00 C ATOM 291 O ARG A 20 -6.469 9.336 -1.187 1.00 0.00 O ATOM 292 CB ARG A 20 -5.618 9.913 1.774 1.00 0.00 C ATOM 293 CG ARG A 20 -7.036 9.950 2.415 1.00 0.00 C ATOM 294 CD ARG A 20 -7.941 8.780 1.977 1.00 0.00 C ATOM 295 NE ARG A 20 -9.285 8.854 2.581 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.364 8.204 2.139 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.303 7.411 1.075 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.516 8.354 2.767 1.00 0.00 N ATOM 0 H ARG A 20 -5.652 12.435 1.678 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.445 10.428 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.368 8.872 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.904 10.273 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.936 9.935 3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.520 10.891 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.033 8.782 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.471 7.837 2.256 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.399 9.449 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.420 7.290 0.579 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.139 6.923 0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.576 8.963 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.345 7.861 2.436 1.00 0.00 H new ATOM 312 N GLU A 21 -7.400 11.380 -0.832 1.00 0.00 N ATOM 313 CA GLU A 21 -8.502 11.238 -1.797 1.00 0.00 C ATOM 314 C GLU A 21 -7.985 11.422 -3.237 1.00 0.00 C ATOM 315 O GLU A 21 -8.629 10.988 -4.194 1.00 0.00 O ATOM 316 CB GLU A 21 -9.627 12.262 -1.475 1.00 0.00 C ATOM 317 CG GLU A 21 -9.198 13.742 -1.582 1.00 0.00 C ATOM 318 CD GLU A 21 -10.301 14.727 -1.156 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.169 15.067 -1.992 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.311 15.153 0.019 1.00 0.00 O ATOM 0 H GLU A 21 -7.391 12.281 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.917 10.233 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.463 12.089 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.992 12.075 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.317 13.904 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.907 13.955 -2.611 1.00 0.00 H new ATOM 327 N THR A 22 -6.811 12.080 -3.383 1.00 0.00 N ATOM 328 CA THR A 22 -6.128 12.229 -4.681 1.00 0.00 C ATOM 329 C THR A 22 -5.116 11.073 -4.896 1.00 0.00 C ATOM 330 O THR A 22 -4.285 11.121 -5.806 1.00 0.00 O ATOM 331 CB THR A 22 -5.425 13.627 -4.796 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.409 13.771 -3.791 1.00 0.00 O ATOM 333 CG2 THR A 22 -6.433 14.788 -4.654 1.00 0.00 C ATOM 0 H THR A 22 -6.316 12.519 -2.606 1.00 0.00 H new ATOM 0 HA THR A 22 -6.879 12.176 -5.469 1.00 0.00 H new ATOM 0 HB THR A 22 -4.974 13.672 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.597 13.163 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.907 15.739 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.184 14.717 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.921 14.729 -3.681 1.00 0.00 H new ATOM 341 N ILE A 23 -5.181 10.046 -4.013 1.00 0.00 N ATOM 342 CA ILE A 23 -4.492 8.756 -4.185 1.00 0.00 C ATOM 343 C ILE A 23 -5.569 7.725 -4.593 1.00 0.00 C ATOM 344 O ILE A 23 -6.601 7.597 -3.912 1.00 0.00 O ATOM 345 CB ILE A 23 -3.749 8.284 -2.856 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.457 9.119 -2.556 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.395 6.786 -2.903 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.676 10.573 -2.242 1.00 0.00 C ATOM 0 H ILE A 23 -5.723 10.098 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.718 8.852 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.457 8.457 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.937 8.659 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.793 9.049 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.890 6.502 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.307 6.200 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.737 6.594 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.716 11.053 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.163 11.059 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.308 10.663 -1.359 1.00 0.00 H new ATOM 360 N THR A 24 -5.331 7.008 -5.701 1.00 0.00 N ATOM 361 CA THR A 24 -6.256 5.980 -6.238 1.00 0.00 C ATOM 362 C THR A 24 -5.531 4.625 -6.324 1.00 0.00 C ATOM 363 O THR A 24 -4.300 4.598 -6.332 1.00 0.00 O ATOM 364 CB THR A 24 -6.803 6.384 -7.652 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.710 6.744 -8.516 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.816 7.543 -7.562 1.00 0.00 C ATOM 0 H THR A 24 -4.485 7.121 -6.260 1.00 0.00 H new ATOM 0 HA THR A 24 -7.106 5.900 -5.560 1.00 0.00 H new ATOM 0 HB THR A 24 -7.325 5.522 -8.068 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.058 6.993 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.172 7.794 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.660 7.241 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.333 8.414 -7.119 1.00 0.00 H new ATOM 374 N PRO A 25 -6.269 3.463 -6.354 1.00 0.00 N ATOM 375 CA PRO A 25 -5.659 2.129 -6.581 1.00 0.00 C ATOM 376 C PRO A 25 -4.737 2.079 -7.818 1.00 0.00 C ATOM 377 O PRO A 25 -3.710 1.411 -7.798 1.00 0.00 O ATOM 378 CB PRO A 25 -6.883 1.199 -6.754 1.00 0.00 C ATOM 379 CG PRO A 25 -7.934 1.851 -5.913 1.00 0.00 C ATOM 380 CD PRO A 25 -7.739 3.338 -6.109 1.00 0.00 C ATOM 0 HA PRO A 25 -5.004 1.842 -5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.190 1.128 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.669 0.185 -6.415 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.932 1.541 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.825 1.575 -4.864 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.320 3.712 -6.952 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.050 3.904 -5.231 1.00 0.00 H new ATOM 388 N GLU A 26 -5.058 2.862 -8.867 1.00 0.00 N ATOM 389 CA GLU A 26 -4.338 2.792 -10.159 1.00 0.00 C ATOM 390 C GLU A 26 -3.135 3.761 -10.188 1.00 0.00 C ATOM 391 O GLU A 26 -2.352 3.739 -11.141 1.00 0.00 O ATOM 392 CB GLU A 26 -5.314 3.104 -11.327 1.00 0.00 C ATOM 393 CG GLU A 26 -5.833 4.559 -11.356 1.00 0.00 C ATOM 394 CD GLU A 26 -6.916 4.791 -12.422 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.578 4.899 -13.620 1.00 0.00 O ATOM 396 OE2 GLU A 26 -8.116 4.856 -12.065 1.00 0.00 O ATOM 0 H GLU A 26 -5.810 3.551 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.950 1.780 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.811 2.892 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.167 2.428 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.236 4.815 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.997 5.233 -11.543 1.00 0.00 H new ATOM 403 N SER A 27 -2.983 4.596 -9.130 1.00 0.00 N ATOM 404 CA SER A 27 -1.942 5.642 -9.087 1.00 0.00 C ATOM 405 C SER A 27 -0.580 5.019 -8.771 1.00 0.00 C ATOM 406 O SER A 27 -0.472 4.185 -7.861 1.00 0.00 O ATOM 407 CB SER A 27 -2.289 6.747 -8.050 1.00 0.00 C ATOM 408 OG SER A 27 -2.301 6.283 -6.710 1.00 0.00 O ATOM 0 H SER A 27 -3.571 4.562 -8.297 1.00 0.00 H new ATOM 0 HA SER A 27 -1.897 6.113 -10.069 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.565 7.557 -8.139 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.267 7.165 -8.290 1.00 0.00 H new ATOM 0 HG SER A 27 -2.816 5.451 -6.657 1.00 0.00 H new ATOM 414 N HIS A 28 0.440 5.408 -9.549 1.00 0.00 N ATOM 415 CA HIS A 28 1.834 5.028 -9.297 1.00 0.00 C ATOM 416 C HIS A 28 2.423 6.032 -8.297 1.00 0.00 C ATOM 417 O HIS A 28 2.325 7.235 -8.527 1.00 0.00 O ATOM 418 CB HIS A 28 2.659 5.051 -10.608 1.00 0.00 C ATOM 419 CG HIS A 28 3.979 4.327 -10.520 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.052 4.831 -9.835 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.314 3.126 -11.032 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.010 3.925 -9.961 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.605 2.875 -10.679 1.00 0.00 N ATOM 0 H HIS A 28 0.319 5.997 -10.373 1.00 0.00 H new ATOM 0 HA HIS A 28 1.871 4.015 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.065 4.605 -11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.844 6.088 -10.890 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.675 2.480 -11.616 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.998 4.024 -9.535 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.154 2.049 -10.916 1.00 0.00 H new ATOM 431 N ALA A 29 2.990 5.539 -7.187 1.00 0.00 N ATOM 432 CA ALA A 29 3.688 6.363 -6.177 1.00 0.00 C ATOM 433 C ALA A 29 4.674 7.376 -6.794 1.00 0.00 C ATOM 434 O ALA A 29 4.710 8.528 -6.379 1.00 0.00 O ATOM 435 CB ALA A 29 4.425 5.457 -5.182 1.00 0.00 C ATOM 0 H ALA A 29 2.979 4.545 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 29 2.922 6.944 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.937 6.071 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.707 4.807 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.155 4.849 -5.716 1.00 0.00 H new ATOM 441 N ILE A 30 5.399 6.963 -7.839 1.00 0.00 N ATOM 442 CA ILE A 30 6.503 7.760 -8.402 1.00 0.00 C ATOM 443 C ILE A 30 5.991 8.570 -9.613 1.00 0.00 C ATOM 444 O ILE A 30 6.096 9.796 -9.635 1.00 0.00 O ATOM 445 CB ILE A 30 7.725 6.852 -8.817 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.169 5.944 -7.621 1.00 0.00 C ATOM 447 CG2 ILE A 30 8.911 7.707 -9.329 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.312 4.983 -7.941 1.00 0.00 C ATOM 0 H ILE A 30 5.242 6.076 -8.317 1.00 0.00 H new ATOM 0 HA ILE A 30 6.858 8.445 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 30 7.402 6.208 -9.635 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.470 6.582 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.309 5.365 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.738 7.053 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.595 8.283 -10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.236 8.387 -8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.552 4.395 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.011 4.316 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.190 5.551 -8.248 1.00 0.00 H new ATOM 460 N ASP A 31 5.412 7.869 -10.604 1.00 0.00 N ATOM 461 CA ASP A 31 4.962 8.476 -11.884 1.00 0.00 C ATOM 462 C ASP A 31 3.779 9.437 -11.697 1.00 0.00 C ATOM 463 O ASP A 31 3.767 10.532 -12.274 1.00 0.00 O ATOM 464 CB ASP A 31 4.577 7.375 -12.912 1.00 0.00 C ATOM 465 CG ASP A 31 5.785 6.558 -13.404 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.443 5.888 -12.579 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.099 6.599 -14.610 1.00 0.00 O ATOM 0 H ASP A 31 5.240 6.865 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 31 5.805 9.054 -12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.851 6.701 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.088 7.841 -13.768 1.00 0.00 H new ATOM 472 N ASP A 32 2.796 9.026 -10.888 1.00 0.00 N ATOM 473 CA ASP A 32 1.527 9.763 -10.731 1.00 0.00 C ATOM 474 C ASP A 32 1.613 10.724 -9.535 1.00 0.00 C ATOM 475 O ASP A 32 1.426 11.935 -9.688 1.00 0.00 O ATOM 476 CB ASP A 32 0.346 8.762 -10.569 1.00 0.00 C ATOM 477 CG ASP A 32 -1.037 9.443 -10.560 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.602 9.689 -11.653 1.00 0.00 O ATOM 479 OD2 ASP A 32 -1.565 9.737 -9.469 1.00 0.00 O ATOM 0 H ASP A 32 2.852 8.178 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 32 1.346 10.359 -11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.380 8.037 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.475 8.206 -9.640 1.00 0.00 H new ATOM 484 N LEU A 33 1.910 10.172 -8.344 1.00 0.00 N ATOM 485 CA LEU A 33 1.981 10.939 -7.083 1.00 0.00 C ATOM 486 C LEU A 33 3.313 11.724 -6.941 1.00 0.00 C ATOM 487 O LEU A 33 3.463 12.495 -5.997 1.00 0.00 O ATOM 488 CB LEU A 33 1.796 9.973 -5.874 1.00 0.00 C ATOM 489 CG LEU A 33 0.525 9.057 -5.889 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.507 8.105 -4.671 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.771 9.892 -5.970 1.00 0.00 C ATOM 0 H LEU A 33 2.108 9.178 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 33 1.177 11.675 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.676 9.332 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.773 10.570 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 33 0.573 8.442 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.387 7.482 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.393 7.470 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.502 8.690 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.633 9.225 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.832 10.554 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.764 10.487 -6.883 1.00 0.00 H new ATOM 503 N GLY A 34 4.280 11.497 -7.860 1.00 0.00 N ATOM 504 CA GLY A 34 5.540 12.275 -7.892 1.00 0.00 C ATOM 505 C GLY A 34 6.447 12.061 -6.679 1.00 0.00 C ATOM 506 O GLY A 34 7.261 12.928 -6.341 1.00 0.00 O ATOM 0 H GLY A 34 4.212 10.784 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.092 12.012 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.296 13.335 -7.965 1.00 0.00 H new ATOM 510 N ILE A 35 6.310 10.901 -6.030 1.00 0.00 N ATOM 511 CA ILE A 35 7.057 10.552 -4.812 1.00 0.00 C ATOM 512 C ILE A 35 8.315 9.786 -5.210 1.00 0.00 C ATOM 513 O ILE A 35 8.214 8.743 -5.850 1.00 0.00 O ATOM 514 CB ILE A 35 6.180 9.663 -3.852 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.883 10.423 -3.431 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.985 9.186 -2.616 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.877 9.577 -2.667 1.00 0.00 C ATOM 0 H ILE A 35 5.671 10.168 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 35 7.322 11.467 -4.283 1.00 0.00 H new ATOM 0 HB ILE A 35 5.885 8.769 -4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.162 11.278 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.402 10.818 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.345 8.576 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.840 8.595 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.337 10.052 -2.055 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.008 10.184 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.565 8.736 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.336 9.203 -1.752 1.00 0.00 H new ATOM 529 N ASP A 36 9.495 10.302 -4.833 1.00 0.00 N ATOM 530 CA ASP A 36 10.777 9.667 -5.175 1.00 0.00 C ATOM 531 C ASP A 36 10.938 8.351 -4.397 1.00 0.00 C ATOM 532 O ASP A 36 10.321 8.168 -3.334 1.00 0.00 O ATOM 533 CB ASP A 36 11.953 10.633 -4.870 1.00 0.00 C ATOM 534 CG ASP A 36 13.253 10.243 -5.597 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.994 9.368 -5.098 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.526 10.794 -6.685 1.00 0.00 O ATOM 0 H ASP A 36 9.588 11.160 -4.289 1.00 0.00 H new ATOM 0 HA ASP A 36 10.787 9.441 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.670 11.645 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.134 10.649 -3.795 1.00 0.00 H new ATOM 541 N SER A 37 11.781 7.455 -4.931 1.00 0.00 N ATOM 542 CA SER A 37 12.033 6.128 -4.355 1.00 0.00 C ATOM 543 C SER A 37 12.561 6.225 -2.905 1.00 0.00 C ATOM 544 O SER A 37 12.192 5.405 -2.060 1.00 0.00 O ATOM 545 CB SER A 37 13.032 5.356 -5.244 1.00 0.00 C ATOM 546 OG SER A 37 13.317 4.067 -4.720 1.00 0.00 O ATOM 0 H SER A 37 12.312 7.634 -5.783 1.00 0.00 H new ATOM 0 HA SER A 37 11.087 5.588 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.623 5.257 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.957 5.926 -5.331 1.00 0.00 H new ATOM 0 HG SER A 37 13.951 3.607 -5.309 1.00 0.00 H new ATOM 552 N LEU A 38 13.375 7.270 -2.618 1.00 0.00 N ATOM 553 CA LEU A 38 13.998 7.450 -1.291 1.00 0.00 C ATOM 554 C LEU A 38 12.949 7.870 -0.237 1.00 0.00 C ATOM 555 O LEU A 38 13.077 7.529 0.951 1.00 0.00 O ATOM 556 CB LEU A 38 15.211 8.436 -1.373 1.00 0.00 C ATOM 557 CG LEU A 38 14.968 9.887 -1.940 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.432 10.863 -0.870 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.247 10.451 -2.605 1.00 0.00 C ATOM 0 H LEU A 38 13.613 7.999 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 38 14.398 6.492 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.623 8.538 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.979 7.965 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 38 14.194 9.794 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.283 11.846 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.483 10.493 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.151 10.940 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.048 11.453 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.050 10.496 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.545 9.802 -3.429 1.00 0.00 H new ATOM 571 N ASP A 39 11.912 8.604 -0.695 1.00 0.00 N ATOM 572 CA ASP A 39 10.762 8.992 0.149 1.00 0.00 C ATOM 573 C ASP A 39 9.870 7.776 0.405 1.00 0.00 C ATOM 574 O ASP A 39 9.371 7.599 1.515 1.00 0.00 O ATOM 575 CB ASP A 39 9.924 10.109 -0.522 1.00 0.00 C ATOM 576 CG ASP A 39 10.676 11.440 -0.640 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.658 12.233 0.328 1.00 0.00 O ATOM 578 OD2 ASP A 39 11.274 11.707 -1.703 1.00 0.00 O ATOM 0 H ASP A 39 11.849 8.943 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 39 11.153 9.372 1.093 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.622 9.780 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.011 10.265 0.053 1.00 0.00 H new ATOM 583 N PHE A 40 9.688 6.944 -0.640 1.00 0.00 N ATOM 584 CA PHE A 40 8.800 5.772 -0.581 1.00 0.00 C ATOM 585 C PHE A 40 9.389 4.681 0.338 1.00 0.00 C ATOM 586 O PHE A 40 8.648 3.874 0.886 1.00 0.00 O ATOM 587 CB PHE A 40 8.515 5.213 -2.000 1.00 0.00 C ATOM 588 CG PHE A 40 7.337 4.240 -2.027 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.027 4.716 -1.982 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.532 2.860 -2.086 1.00 0.00 C ATOM 591 CE1 PHE A 40 4.957 3.846 -1.998 1.00 0.00 C ATOM 592 CE2 PHE A 40 6.459 1.993 -2.104 1.00 0.00 C ATOM 593 CZ PHE A 40 5.175 2.487 -2.062 1.00 0.00 C ATOM 0 H PHE A 40 10.150 7.066 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 40 7.850 6.093 -0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.311 6.042 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.406 4.708 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.848 5.780 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.537 2.465 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.948 4.230 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.626 0.927 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.336 1.807 -2.079 1.00 0.00 H new ATOM 603 N LEU A 41 10.731 4.666 0.493 1.00 0.00 N ATOM 604 CA LEU A 41 11.420 3.818 1.496 1.00 0.00 C ATOM 605 C LEU A 41 10.889 4.117 2.920 1.00 0.00 C ATOM 606 O LEU A 41 10.646 3.203 3.712 1.00 0.00 O ATOM 607 CB LEU A 41 12.952 4.063 1.443 1.00 0.00 C ATOM 608 CG LEU A 41 13.691 3.574 0.157 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.152 4.068 0.138 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.633 2.036 0.032 1.00 0.00 C ATOM 0 H LEU A 41 11.365 5.236 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 41 11.217 2.774 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.131 5.133 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.406 3.573 2.305 1.00 0.00 H new ATOM 0 HG LEU A 41 13.177 4.001 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.644 3.714 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.168 5.158 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.678 3.682 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.156 1.725 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.109 1.582 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.593 1.714 -0.021 1.00 0.00 H new ATOM 622 N ASP A 42 10.710 5.418 3.203 1.00 0.00 N ATOM 623 CA ASP A 42 10.240 5.924 4.510 1.00 0.00 C ATOM 624 C ASP A 42 8.725 5.677 4.676 1.00 0.00 C ATOM 625 O ASP A 42 8.267 5.288 5.756 1.00 0.00 O ATOM 626 CB ASP A 42 10.578 7.434 4.636 1.00 0.00 C ATOM 627 CG ASP A 42 10.164 8.033 5.990 1.00 0.00 C ATOM 628 OD1 ASP A 42 10.883 7.812 6.992 1.00 0.00 O ATOM 629 OD2 ASP A 42 9.121 8.716 6.062 1.00 0.00 O ATOM 0 H ASP A 42 10.889 6.159 2.525 1.00 0.00 H new ATOM 0 HA ASP A 42 10.751 5.385 5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.650 7.573 4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.079 7.980 3.836 1.00 0.00 H new ATOM 634 N ILE A 43 7.963 5.899 3.585 1.00 0.00 N ATOM 635 CA ILE A 43 6.501 5.661 3.560 1.00 0.00 C ATOM 636 C ILE A 43 6.197 4.180 3.831 1.00 0.00 C ATOM 637 O ILE A 43 5.306 3.843 4.615 1.00 0.00 O ATOM 638 CB ILE A 43 5.855 6.072 2.181 1.00 0.00 C ATOM 639 CG1 ILE A 43 6.096 7.585 1.884 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.340 5.733 2.142 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.489 8.099 0.592 1.00 0.00 C ATOM 0 H ILE A 43 8.338 6.246 2.702 1.00 0.00 H new ATOM 0 HA ILE A 43 6.066 6.284 4.341 1.00 0.00 H new ATOM 0 HB ILE A 43 6.343 5.490 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.694 8.169 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.171 7.766 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.926 6.029 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.203 4.661 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.826 6.271 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.714 9.160 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.908 7.549 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.408 7.958 0.616 1.00 0.00 H new ATOM 653 N ALA A 44 6.978 3.306 3.189 1.00 0.00 N ATOM 654 CA ALA A 44 6.792 1.855 3.268 1.00 0.00 C ATOM 655 C ALA A 44 7.263 1.315 4.622 1.00 0.00 C ATOM 656 O ALA A 44 6.697 0.358 5.121 1.00 0.00 O ATOM 657 CB ALA A 44 7.509 1.160 2.115 1.00 0.00 C ATOM 0 H ALA A 44 7.760 3.587 2.598 1.00 0.00 H new ATOM 0 HA ALA A 44 5.727 1.640 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.360 0.083 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.105 1.517 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.575 1.383 2.162 1.00 0.00 H new ATOM 663 N PHE A 45 8.309 1.935 5.200 1.00 0.00 N ATOM 664 CA PHE A 45 8.762 1.621 6.570 1.00 0.00 C ATOM 665 C PHE A 45 7.649 1.954 7.595 1.00 0.00 C ATOM 666 O PHE A 45 7.489 1.256 8.593 1.00 0.00 O ATOM 667 CB PHE A 45 10.070 2.389 6.892 1.00 0.00 C ATOM 668 CG PHE A 45 10.704 2.028 8.244 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.379 0.821 8.415 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.628 2.891 9.339 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.951 0.490 9.629 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.199 2.554 10.551 1.00 0.00 C ATOM 673 CZ PHE A 45 11.860 1.354 10.695 1.00 0.00 C ATOM 0 H PHE A 45 8.859 2.659 4.738 1.00 0.00 H new ATOM 0 HA PHE A 45 8.972 0.554 6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.795 2.194 6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.861 3.459 6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.456 0.133 7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.115 3.836 9.237 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.471 -0.450 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.127 3.233 11.388 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.306 1.092 11.643 1.00 0.00 H new ATOM 683 N ALA A 46 6.877 3.019 7.310 1.00 0.00 N ATOM 684 CA ALA A 46 5.707 3.404 8.126 1.00 0.00 C ATOM 685 C ALA A 46 4.563 2.382 7.960 1.00 0.00 C ATOM 686 O ALA A 46 3.818 2.111 8.909 1.00 0.00 O ATOM 687 CB ALA A 46 5.239 4.814 7.753 1.00 0.00 C ATOM 0 H ALA A 46 7.044 3.634 6.514 1.00 0.00 H new ATOM 0 HA ALA A 46 6.003 3.407 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.376 5.084 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.046 5.524 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.961 4.838 6.699 1.00 0.00 H new ATOM 693 N ILE A 47 4.442 1.825 6.740 1.00 0.00 N ATOM 694 CA ILE A 47 3.490 0.738 6.427 1.00 0.00 C ATOM 695 C ILE A 47 3.848 -0.539 7.228 1.00 0.00 C ATOM 696 O ILE A 47 2.954 -1.208 7.765 1.00 0.00 O ATOM 697 CB ILE A 47 3.471 0.428 4.878 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.918 1.645 4.065 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.676 -0.854 4.556 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.009 1.507 2.544 1.00 0.00 C ATOM 0 H ILE A 47 5.003 2.116 5.940 1.00 0.00 H new ATOM 0 HA ILE A 47 2.493 1.068 6.718 1.00 0.00 H new ATOM 0 HB ILE A 47 4.504 0.256 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.874 1.800 4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.462 2.540 4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.689 -1.029 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.131 -1.702 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.646 -0.737 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.601 2.401 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.052 1.387 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.439 0.635 2.223 1.00 0.00 H new ATOM 712 N ASP A 48 5.162 -0.854 7.290 1.00 0.00 N ATOM 713 CA ASP A 48 5.697 -2.000 8.065 1.00 0.00 C ATOM 714 C ASP A 48 5.212 -1.943 9.518 1.00 0.00 C ATOM 715 O ASP A 48 4.644 -2.904 10.036 1.00 0.00 O ATOM 716 CB ASP A 48 7.262 -2.016 8.044 1.00 0.00 C ATOM 717 CG ASP A 48 7.899 -2.354 6.689 1.00 0.00 C ATOM 718 OD1 ASP A 48 7.203 -2.356 5.664 1.00 0.00 O ATOM 719 OD2 ASP A 48 9.120 -2.625 6.651 1.00 0.00 O ATOM 0 H ASP A 48 5.883 -0.321 6.804 1.00 0.00 H new ATOM 0 HA ASP A 48 5.329 -2.912 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.623 -1.038 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.611 -2.739 8.781 1.00 0.00 H new ATOM 724 N LYS A 49 5.414 -0.772 10.126 1.00 0.00 N ATOM 725 CA LYS A 49 5.096 -0.514 11.541 1.00 0.00 C ATOM 726 C LYS A 49 3.581 -0.643 11.801 1.00 0.00 C ATOM 727 O LYS A 49 3.161 -1.350 12.719 1.00 0.00 O ATOM 728 CB LYS A 49 5.593 0.903 11.927 1.00 0.00 C ATOM 729 CG LYS A 49 7.114 1.113 11.762 1.00 0.00 C ATOM 730 CD LYS A 49 7.539 2.586 11.941 1.00 0.00 C ATOM 731 CE LYS A 49 7.254 3.127 13.354 1.00 0.00 C ATOM 732 NZ LYS A 49 8.042 2.419 14.396 1.00 0.00 N ATOM 0 H LYS A 49 5.808 0.038 9.647 1.00 0.00 H new ATOM 0 HA LYS A 49 5.602 -1.257 12.157 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.069 1.638 11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.322 1.100 12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.642 0.497 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.418 0.770 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.604 2.679 11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.015 3.201 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.485 4.192 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.191 3.025 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.896 2.882 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.731 1.428 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.052 2.451 14.149 1.00 0.00 H new ATOM 746 N ALA A 50 2.787 0.044 10.958 1.00 0.00 N ATOM 747 CA ALA A 50 1.318 0.124 11.096 1.00 0.00 C ATOM 748 C ALA A 50 0.637 -1.257 10.955 1.00 0.00 C ATOM 749 O ALA A 50 -0.199 -1.639 11.787 1.00 0.00 O ATOM 750 CB ALA A 50 0.765 1.107 10.052 1.00 0.00 C ATOM 0 H ALA A 50 3.148 0.563 10.157 1.00 0.00 H new ATOM 0 HA ALA A 50 1.093 0.482 12.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.319 1.170 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.202 2.093 10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.020 0.757 9.052 1.00 0.00 H new ATOM 756 N PHE A 51 1.012 -1.994 9.895 1.00 0.00 N ATOM 757 CA PHE A 51 0.430 -3.319 9.572 1.00 0.00 C ATOM 758 C PHE A 51 1.102 -4.459 10.362 1.00 0.00 C ATOM 759 O PHE A 51 0.607 -5.591 10.340 1.00 0.00 O ATOM 760 CB PHE A 51 0.524 -3.602 8.050 1.00 0.00 C ATOM 761 CG PHE A 51 -0.452 -2.798 7.194 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.106 -1.553 6.673 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.717 -3.310 6.891 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.988 -0.848 5.881 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.595 -2.604 6.091 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.229 -1.375 5.587 1.00 0.00 C ATOM 0 H PHE A 51 1.728 -1.692 9.234 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.619 -3.285 9.868 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.540 -3.390 7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.347 -4.664 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.865 -1.135 6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.012 -4.270 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.707 0.119 5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.567 -3.015 5.861 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.914 -0.823 4.961 1.00 0.00 H new ATOM 776 N GLY A 52 2.223 -4.152 11.045 1.00 0.00 N ATOM 777 CA GLY A 52 2.961 -5.148 11.835 1.00 0.00 C ATOM 778 C GLY A 52 3.658 -6.201 10.969 1.00 0.00 C ATOM 779 O GLY A 52 3.826 -7.358 11.376 1.00 0.00 O ATOM 0 H GLY A 52 2.635 -3.219 11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.705 -4.639 12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.272 -5.645 12.518 1.00 0.00 H new ATOM 783 N ILE A 53 4.048 -5.773 9.758 1.00 0.00 N ATOM 784 CA ILE A 53 4.724 -6.602 8.746 1.00 0.00 C ATOM 785 C ILE A 53 6.097 -5.997 8.417 1.00 0.00 C ATOM 786 O ILE A 53 6.525 -5.031 9.058 1.00 0.00 O ATOM 787 CB ILE A 53 3.864 -6.744 7.432 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.600 -5.348 6.771 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.543 -7.501 7.719 1.00 0.00 C ATOM 790 CD1 ILE A 53 2.956 -5.417 5.405 1.00 0.00 C ATOM 0 H ILE A 53 3.898 -4.813 9.446 1.00 0.00 H new ATOM 0 HA ILE A 53 4.852 -7.602 9.161 1.00 0.00 H new ATOM 0 HB ILE A 53 4.435 -7.335 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.961 -4.762 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.547 -4.814 6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.966 -7.587 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.770 -8.497 8.100 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.963 -6.952 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.809 -4.408 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.602 -5.973 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.992 -5.920 5.482 1.00 0.00 H new ATOM 802 N LYS A 54 6.805 -6.601 7.446 1.00 0.00 N ATOM 803 CA LYS A 54 8.042 -6.046 6.897 1.00 0.00 C ATOM 804 C LYS A 54 7.997 -6.216 5.369 1.00 0.00 C ATOM 805 O LYS A 54 8.231 -7.317 4.861 1.00 0.00 O ATOM 806 CB LYS A 54 9.297 -6.736 7.544 1.00 0.00 C ATOM 807 CG LYS A 54 10.581 -5.864 7.585 1.00 0.00 C ATOM 808 CD LYS A 54 11.276 -5.676 6.210 1.00 0.00 C ATOM 809 CE LYS A 54 12.388 -4.612 6.247 1.00 0.00 C ATOM 810 NZ LYS A 54 13.383 -4.870 7.319 1.00 0.00 N ATOM 0 H LYS A 54 6.530 -7.488 7.024 1.00 0.00 H new ATOM 0 HA LYS A 54 8.129 -4.985 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.045 -7.032 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.515 -7.650 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.326 -4.883 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.290 -6.317 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.700 -6.627 5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.531 -5.391 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.895 -4.587 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.942 -3.629 6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.155 -4.177 7.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.923 -4.784 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.769 -5.830 7.211 1.00 0.00 H new ATOM 824 N LEU A 55 7.618 -5.140 4.648 1.00 0.00 N ATOM 825 CA LEU A 55 7.776 -5.071 3.190 1.00 0.00 C ATOM 826 C LEU A 55 9.284 -5.111 2.868 1.00 0.00 C ATOM 827 O LEU A 55 10.040 -4.289 3.399 1.00 0.00 O ATOM 828 CB LEU A 55 7.183 -3.759 2.598 1.00 0.00 C ATOM 829 CG LEU A 55 5.665 -3.485 2.844 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.233 -2.142 2.206 1.00 0.00 C ATOM 831 CD2 LEU A 55 4.794 -4.654 2.330 1.00 0.00 C ATOM 0 H LEU A 55 7.199 -4.306 5.060 1.00 0.00 H new ATOM 0 HA LEU A 55 7.242 -5.912 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.748 -2.920 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.354 -3.767 1.522 1.00 0.00 H new ATOM 0 HG LEU A 55 5.511 -3.408 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.172 -1.976 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.810 -1.328 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.412 -2.175 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.743 -4.433 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.954 -4.784 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.070 -5.570 2.852 1.00 0.00 H new ATOM 843 N PRO A 56 9.769 -6.076 2.035 1.00 0.00 N ATOM 844 CA PRO A 56 11.153 -6.054 1.515 1.00 0.00 C ATOM 845 C PRO A 56 11.292 -5.011 0.386 1.00 0.00 C ATOM 846 O PRO A 56 11.612 -5.344 -0.747 1.00 0.00 O ATOM 847 CB PRO A 56 11.362 -7.511 1.024 1.00 0.00 C ATOM 848 CG PRO A 56 9.994 -7.950 0.603 1.00 0.00 C ATOM 849 CD PRO A 56 9.035 -7.289 1.579 1.00 0.00 C ATOM 0 HA PRO A 56 11.903 -5.761 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 56 12.068 -7.556 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.759 -8.146 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.782 -7.645 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.903 -9.036 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.092 -7.028 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.796 -7.949 2.413 1.00 0.00 H new ATOM 857 N LEU A 57 11.053 -3.730 0.748 1.00 0.00 N ATOM 858 CA LEU A 57 11.116 -2.573 -0.178 1.00 0.00 C ATOM 859 C LEU A 57 12.550 -2.438 -0.720 1.00 0.00 C ATOM 860 O LEU A 57 12.752 -2.061 -1.872 1.00 0.00 O ATOM 861 CB LEU A 57 10.657 -1.260 0.557 1.00 0.00 C ATOM 862 CG LEU A 57 9.887 -0.181 -0.287 1.00 0.00 C ATOM 863 CD1 LEU A 57 10.708 0.389 -1.451 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.537 -0.727 -0.777 1.00 0.00 C ATOM 0 H LEU A 57 10.808 -3.466 1.702 1.00 0.00 H new ATOM 0 HA LEU A 57 10.438 -2.734 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.020 -1.549 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.542 -0.786 0.980 1.00 0.00 H new ATOM 0 HG LEU A 57 9.704 0.656 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.113 1.127 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.610 0.863 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.985 -0.417 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.024 0.039 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.704 -1.605 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.923 -1.003 0.080 1.00 0.00 H new ATOM 876 N GLU A 58 13.526 -2.768 0.145 1.00 0.00 N ATOM 877 CA GLU A 58 14.951 -2.816 -0.220 1.00 0.00 C ATOM 878 C GLU A 58 15.195 -3.852 -1.345 1.00 0.00 C ATOM 879 O GLU A 58 15.916 -3.574 -2.318 1.00 0.00 O ATOM 880 CB GLU A 58 15.811 -3.139 1.036 1.00 0.00 C ATOM 881 CG GLU A 58 15.492 -4.488 1.723 1.00 0.00 C ATOM 882 CD GLU A 58 16.411 -4.804 2.914 1.00 0.00 C ATOM 883 OE1 GLU A 58 17.563 -5.240 2.690 1.00 0.00 O ATOM 884 OE2 GLU A 58 15.990 -4.623 4.079 1.00 0.00 O ATOM 0 H GLU A 58 13.347 -3.009 1.120 1.00 0.00 H new ATOM 0 HA GLU A 58 15.250 -1.839 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.862 -3.136 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.678 -2.338 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.458 -4.476 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.575 -5.289 0.988 1.00 0.00 H new ATOM 891 N LYS A 59 14.556 -5.031 -1.212 1.00 0.00 N ATOM 892 CA LYS A 59 14.655 -6.126 -2.189 1.00 0.00 C ATOM 893 C LYS A 59 13.953 -5.745 -3.493 1.00 0.00 C ATOM 894 O LYS A 59 14.457 -6.029 -4.564 1.00 0.00 O ATOM 895 CB LYS A 59 14.045 -7.430 -1.606 1.00 0.00 C ATOM 896 CG LYS A 59 14.069 -8.662 -2.544 1.00 0.00 C ATOM 897 CD LYS A 59 15.503 -9.075 -2.959 1.00 0.00 C ATOM 898 CE LYS A 59 15.524 -10.305 -3.882 1.00 0.00 C ATOM 899 NZ LYS A 59 16.907 -10.695 -4.256 1.00 0.00 N ATOM 0 H LYS A 59 13.954 -5.249 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 59 15.709 -6.303 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.581 -7.683 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.011 -7.231 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.584 -9.501 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.486 -8.443 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.985 -8.238 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.089 -9.287 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.034 -11.141 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.951 -10.091 -4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.877 -11.528 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.367 -9.907 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.447 -10.924 -3.397 1.00 0.00 H new ATOM 913 N TRP A 60 12.804 -5.076 -3.372 1.00 0.00 N ATOM 914 CA TRP A 60 11.972 -4.676 -4.519 1.00 0.00 C ATOM 915 C TRP A 60 12.689 -3.611 -5.363 1.00 0.00 C ATOM 916 O TRP A 60 12.655 -3.664 -6.585 1.00 0.00 O ATOM 917 CB TRP A 60 10.599 -4.163 -4.027 1.00 0.00 C ATOM 918 CG TRP A 60 9.759 -5.215 -3.330 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.945 -6.574 -3.328 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.589 -4.982 -2.547 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.972 -7.182 -2.589 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.129 -6.226 -2.099 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.890 -3.839 -2.182 1.00 0.00 C ATOM 924 CZ2 TRP A 60 7.005 -6.359 -1.299 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.773 -3.965 -1.390 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.345 -5.219 -0.955 1.00 0.00 C ATOM 0 H TRP A 60 12.419 -4.793 -2.471 1.00 0.00 H new ATOM 0 HA TRP A 60 11.806 -5.547 -5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.758 -3.329 -3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.042 -3.774 -4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.746 -7.089 -3.838 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.888 -8.186 -2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.219 -2.866 -2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.666 -7.328 -0.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.221 -3.083 -1.102 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.467 -5.288 -0.329 1.00 0.00 H new ATOM 937 N THR A 61 13.361 -2.677 -4.668 1.00 0.00 N ATOM 938 CA THR A 61 14.224 -1.656 -5.288 1.00 0.00 C ATOM 939 C THR A 61 15.385 -2.332 -6.057 1.00 0.00 C ATOM 940 O THR A 61 15.723 -1.924 -7.177 1.00 0.00 O ATOM 941 CB THR A 61 14.783 -0.673 -4.198 1.00 0.00 C ATOM 942 OG1 THR A 61 13.689 0.037 -3.584 1.00 0.00 O ATOM 943 CG2 THR A 61 15.797 0.344 -4.759 1.00 0.00 C ATOM 0 H THR A 61 13.320 -2.609 -3.651 1.00 0.00 H new ATOM 0 HA THR A 61 13.628 -1.079 -5.996 1.00 0.00 H new ATOM 0 HB THR A 61 15.313 -1.283 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.235 -0.551 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.144 0.993 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.646 -0.188 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.319 0.947 -5.531 1.00 0.00 H new ATOM 951 N GLN A 62 15.929 -3.409 -5.463 1.00 0.00 N ATOM 952 CA GLN A 62 17.068 -4.166 -6.006 1.00 0.00 C ATOM 953 C GLN A 62 16.634 -4.949 -7.275 1.00 0.00 C ATOM 954 O GLN A 62 17.346 -4.943 -8.270 1.00 0.00 O ATOM 955 CB GLN A 62 17.604 -5.124 -4.894 1.00 0.00 C ATOM 956 CG GLN A 62 18.743 -6.077 -5.310 1.00 0.00 C ATOM 957 CD GLN A 62 20.060 -5.389 -5.675 1.00 0.00 C ATOM 958 OE1 GLN A 62 20.384 -4.317 -5.167 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.833 -5.999 -6.559 1.00 0.00 N ATOM 0 H GLN A 62 15.584 -3.782 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 62 17.868 -3.487 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.952 -4.518 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.771 -5.724 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.929 -6.775 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.410 -6.667 -6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.540 -6.888 -6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.722 -5.581 -6.834 1.00 0.00 H new ATOM 968 N GLU A 63 15.445 -5.598 -7.210 1.00 0.00 N ATOM 969 CA GLU A 63 14.847 -6.376 -8.326 1.00 0.00 C ATOM 970 C GLU A 63 14.609 -5.489 -9.552 1.00 0.00 C ATOM 971 O GLU A 63 14.954 -5.864 -10.671 1.00 0.00 O ATOM 972 CB GLU A 63 13.506 -7.048 -7.892 1.00 0.00 C ATOM 973 CG GLU A 63 13.652 -8.131 -6.814 1.00 0.00 C ATOM 974 CD GLU A 63 12.317 -8.811 -6.482 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.965 -9.808 -7.153 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.603 -8.343 -5.575 1.00 0.00 O ATOM 0 H GLU A 63 14.866 -5.596 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 63 15.558 -7.158 -8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.831 -6.276 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.036 -7.490 -8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.365 -8.883 -7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.064 -7.685 -5.909 1.00 0.00 H new ATOM 983 N VAL A 64 14.021 -4.312 -9.312 1.00 0.00 N ATOM 984 CA VAL A 64 13.759 -3.316 -10.365 1.00 0.00 C ATOM 985 C VAL A 64 15.087 -2.850 -11.018 1.00 0.00 C ATOM 986 O VAL A 64 15.164 -2.701 -12.247 1.00 0.00 O ATOM 987 CB VAL A 64 12.915 -2.104 -9.817 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.735 -0.997 -10.889 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.528 -2.585 -9.299 1.00 0.00 C ATOM 0 H VAL A 64 13.712 -4.020 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 64 13.158 -3.791 -11.140 1.00 0.00 H new ATOM 0 HB VAL A 64 13.471 -1.674 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.148 -0.179 -10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.713 -0.623 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.218 -1.410 -11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.963 -1.731 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.978 -3.055 -10.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.670 -3.306 -8.494 1.00 0.00 H new ATOM 999 N ASN A 65 16.130 -2.665 -10.183 1.00 0.00 N ATOM 1000 CA ASN A 65 17.493 -2.314 -10.650 1.00 0.00 C ATOM 1001 C ASN A 65 18.147 -3.474 -11.431 1.00 0.00 C ATOM 1002 O ASN A 65 18.968 -3.219 -12.320 1.00 0.00 O ATOM 1003 CB ASN A 65 18.400 -1.882 -9.463 1.00 0.00 C ATOM 1004 CG ASN A 65 18.000 -0.546 -8.845 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.470 0.334 -9.520 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.251 -0.380 -7.557 1.00 0.00 N ATOM 0 H ASN A 65 16.055 -2.754 -9.170 1.00 0.00 H new ATOM 0 HA ASN A 65 17.389 -1.469 -11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.369 -2.653 -8.693 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.432 -1.819 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.004 0.497 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.692 -1.129 -7.023 1.00 0.00 H new ATOM 1013 N ASP A 66 17.802 -4.742 -11.098 1.00 0.00 N ATOM 1014 CA ASP A 66 18.319 -5.944 -11.813 1.00 0.00 C ATOM 1015 C ASP A 66 17.499 -6.298 -13.076 1.00 0.00 C ATOM 1016 O ASP A 66 17.843 -7.257 -13.790 1.00 0.00 O ATOM 1017 CB ASP A 66 18.335 -7.181 -10.864 1.00 0.00 C ATOM 1018 CG ASP A 66 19.358 -7.106 -9.717 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.549 -6.825 -9.984 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.985 -7.345 -8.548 1.00 0.00 O ATOM 0 H ASP A 66 17.164 -4.964 -10.334 1.00 0.00 H new ATOM 0 HA ASP A 66 19.331 -5.692 -12.130 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.340 -7.305 -10.436 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.541 -8.072 -11.457 1.00 0.00 H new ATOM 1025 N GLY A 67 16.441 -5.524 -13.357 1.00 0.00 N ATOM 1026 CA GLY A 67 15.507 -5.841 -14.442 1.00 0.00 C ATOM 1027 C GLY A 67 14.656 -7.090 -14.193 1.00 0.00 C ATOM 1028 O GLY A 67 14.046 -7.625 -15.120 1.00 0.00 O ATOM 0 H GLY A 67 16.212 -4.672 -12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.845 -4.989 -14.597 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.072 -5.978 -15.364 1.00 0.00 H new ATOM 1032 N LYS A 68 14.612 -7.543 -12.930 1.00 0.00 N ATOM 1033 CA LYS A 68 13.790 -8.692 -12.506 1.00 0.00 C ATOM 1034 C LYS A 68 12.296 -8.317 -12.485 1.00 0.00 C ATOM 1035 O LYS A 68 11.430 -9.163 -12.741 1.00 0.00 O ATOM 1036 CB LYS A 68 14.235 -9.178 -11.104 1.00 0.00 C ATOM 1037 CG LYS A 68 15.632 -9.833 -11.062 1.00 0.00 C ATOM 1038 CD LYS A 68 16.089 -10.193 -9.628 1.00 0.00 C ATOM 1039 CE LYS A 68 15.079 -11.081 -8.865 1.00 0.00 C ATOM 1040 NZ LYS A 68 14.772 -12.353 -9.566 1.00 0.00 N ATOM 0 H LYS A 68 15.147 -7.122 -12.170 1.00 0.00 H new ATOM 0 HA LYS A 68 13.933 -9.499 -13.225 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.226 -8.329 -10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.502 -9.894 -10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.622 -10.737 -11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.359 -9.155 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.048 -10.708 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.251 -9.274 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.478 -11.306 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.154 -10.523 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.103 -12.910 -8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.348 -12.145 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.649 -12.896 -9.700 1.00 0.00 H new ATOM 1054 N ALA A 69 12.021 -7.045 -12.181 1.00 0.00 N ATOM 1055 CA ALA A 69 10.661 -6.496 -12.123 1.00 0.00 C ATOM 1056 C ALA A 69 10.684 -5.013 -12.515 1.00 0.00 C ATOM 1057 O ALA A 69 11.749 -4.402 -12.601 1.00 0.00 O ATOM 1058 CB ALA A 69 10.069 -6.684 -10.713 1.00 0.00 C ATOM 0 H ALA A 69 12.744 -6.359 -11.966 1.00 0.00 H new ATOM 0 HA ALA A 69 10.026 -7.032 -12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.060 -6.272 -10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.035 -7.746 -10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.693 -6.166 -9.984 1.00 0.00 H new ATOM 1064 N THR A 70 9.498 -4.462 -12.781 1.00 0.00 N ATOM 1065 CA THR A 70 9.299 -3.022 -13.013 1.00 0.00 C ATOM 1066 C THR A 70 8.687 -2.405 -11.746 1.00 0.00 C ATOM 1067 O THR A 70 8.053 -3.122 -10.952 1.00 0.00 O ATOM 1068 CB THR A 70 8.384 -2.784 -14.267 1.00 0.00 C ATOM 1069 OG1 THR A 70 8.956 -3.457 -15.398 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.203 -1.289 -14.623 1.00 0.00 C ATOM 0 H THR A 70 8.637 -5.005 -12.843 1.00 0.00 H new ATOM 0 HA THR A 70 10.255 -2.541 -13.221 1.00 0.00 H new ATOM 0 HB THR A 70 7.399 -3.178 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.389 -3.314 -16.185 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.560 -1.199 -15.499 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.746 -0.767 -13.782 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.175 -0.846 -14.840 1.00 0.00 H new ATOM 1078 N THR A 71 8.912 -1.088 -11.558 1.00 0.00 N ATOM 1079 CA THR A 71 8.423 -0.321 -10.398 1.00 0.00 C ATOM 1080 C THR A 71 6.933 -0.594 -10.096 1.00 0.00 C ATOM 1081 O THR A 71 6.603 -0.908 -8.971 1.00 0.00 O ATOM 1082 CB THR A 71 8.629 1.213 -10.622 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.078 1.584 -11.902 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.111 1.622 -10.557 1.00 0.00 C ATOM 0 H THR A 71 9.446 -0.522 -12.218 1.00 0.00 H new ATOM 0 HA THR A 71 9.008 -0.652 -9.540 1.00 0.00 H new ATOM 0 HB THR A 71 8.114 1.738 -9.817 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.203 2.545 -12.046 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.199 2.696 -10.719 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.516 1.368 -9.577 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.669 1.092 -11.329 1.00 0.00 H new ATOM 1092 N GLU A 72 6.074 -0.519 -11.143 1.00 0.00 N ATOM 1093 CA GLU A 72 4.591 -0.658 -11.030 1.00 0.00 C ATOM 1094 C GLU A 72 4.125 -1.832 -10.129 1.00 0.00 C ATOM 1095 O GLU A 72 3.200 -1.682 -9.322 1.00 0.00 O ATOM 1096 CB GLU A 72 3.967 -0.822 -12.440 1.00 0.00 C ATOM 1097 CG GLU A 72 4.216 0.350 -13.406 1.00 0.00 C ATOM 1098 CD GLU A 72 3.451 0.197 -14.731 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.237 0.498 -14.756 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.045 -0.246 -15.742 1.00 0.00 O ATOM 0 H GLU A 72 6.389 -0.359 -12.100 1.00 0.00 H new ATOM 0 HA GLU A 72 4.246 0.257 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.360 -1.733 -12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.891 -0.959 -12.330 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.919 1.282 -12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.283 0.424 -13.614 1.00 0.00 H new ATOM 1107 N GLN A 73 4.801 -2.979 -10.288 1.00 0.00 N ATOM 1108 CA GLN A 73 4.480 -4.242 -9.577 1.00 0.00 C ATOM 1109 C GLN A 73 4.488 -4.083 -8.039 1.00 0.00 C ATOM 1110 O GLN A 73 3.831 -4.852 -7.321 1.00 0.00 O ATOM 1111 CB GLN A 73 5.482 -5.349 -10.006 1.00 0.00 C ATOM 1112 CG GLN A 73 5.493 -5.648 -11.519 1.00 0.00 C ATOM 1113 CD GLN A 73 6.472 -6.757 -11.927 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.775 -7.660 -11.147 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.965 -6.694 -13.154 1.00 0.00 N ATOM 0 H GLN A 73 5.597 -3.065 -10.920 1.00 0.00 H new ATOM 0 HA GLN A 73 3.465 -4.524 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.485 -5.052 -9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.243 -6.267 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.488 -5.932 -11.831 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.748 -4.735 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.693 -5.932 -13.775 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.617 -7.408 -13.479 1.00 0.00 H new ATOM 1124 N TYR A 74 5.281 -3.121 -7.547 1.00 0.00 N ATOM 1125 CA TYR A 74 5.418 -2.852 -6.109 1.00 0.00 C ATOM 1126 C TYR A 74 5.034 -1.399 -5.752 1.00 0.00 C ATOM 1127 O TYR A 74 4.688 -1.126 -4.601 1.00 0.00 O ATOM 1128 CB TYR A 74 6.885 -3.131 -5.677 1.00 0.00 C ATOM 1129 CG TYR A 74 7.462 -4.482 -6.151 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.880 -5.691 -5.753 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.575 -4.549 -6.998 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.388 -6.905 -6.176 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.085 -5.766 -7.423 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.487 -6.940 -7.009 1.00 0.00 C ATOM 1135 OH TYR A 74 8.991 -8.154 -7.433 1.00 0.00 O ATOM 0 H TYR A 74 5.845 -2.508 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 74 4.733 -3.510 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.518 -2.330 -6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.941 -3.092 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.018 -5.675 -5.103 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.046 -3.634 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.925 -7.826 -5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.946 -5.796 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 74 9.765 -8.002 -8.015 1.00 0.00 H new ATOM 1145 N PHE A 75 5.085 -0.472 -6.735 1.00 0.00 N ATOM 1146 CA PHE A 75 5.010 0.992 -6.486 1.00 0.00 C ATOM 1147 C PHE A 75 3.723 1.602 -7.097 1.00 0.00 C ATOM 1148 O PHE A 75 3.630 2.815 -7.235 1.00 0.00 O ATOM 1149 CB PHE A 75 6.279 1.701 -7.069 1.00 0.00 C ATOM 1150 CG PHE A 75 7.607 1.396 -6.353 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.255 0.169 -6.513 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.212 2.342 -5.525 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.449 -0.103 -5.871 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.409 2.069 -4.887 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.024 0.847 -5.058 1.00 0.00 C ATOM 0 H PHE A 75 5.179 -0.713 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 75 4.975 1.152 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.380 1.419 -8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.114 2.778 -7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.814 -0.583 -7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.739 3.302 -5.380 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.930 -1.060 -6.007 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.863 2.816 -4.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.956 0.636 -4.555 1.00 0.00 H new ATOM 1165 N VAL A 76 2.741 0.759 -7.476 1.00 0.00 N ATOM 1166 CA VAL A 76 1.358 1.209 -7.780 1.00 0.00 C ATOM 1167 C VAL A 76 0.461 0.744 -6.639 1.00 0.00 C ATOM 1168 O VAL A 76 0.565 -0.394 -6.237 1.00 0.00 O ATOM 1169 CB VAL A 76 0.810 0.652 -9.150 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.702 0.930 -9.335 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.586 1.233 -10.338 1.00 0.00 C ATOM 0 H VAL A 76 2.878 -0.246 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 76 1.364 2.295 -7.876 1.00 0.00 H new ATOM 0 HB VAL A 76 0.956 -0.428 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.031 0.527 -10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.261 0.453 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.880 2.005 -9.313 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.184 0.830 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.487 2.319 -10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.639 0.965 -10.251 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.441 1.621 -6.191 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.245 1.459 -4.960 1.00 0.00 C ATOM 1183 C LEU A 77 -2.064 0.152 -4.889 1.00 0.00 C ATOM 1184 O LEU A 77 -2.242 -0.386 -3.802 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.154 2.715 -4.774 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.533 3.886 -3.955 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.369 3.485 -2.475 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.200 4.383 -4.560 1.00 0.00 C ATOM 0 H LEU A 77 -0.644 2.491 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.540 1.375 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.428 3.091 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.077 2.403 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.226 4.725 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.934 4.315 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.344 3.238 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.713 2.617 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.193 5.199 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.520 3.564 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.371 4.736 -5.577 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.558 -0.342 -6.035 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.333 -1.613 -6.092 1.00 0.00 C ATOM 1202 C LYS A 78 -2.401 -2.822 -5.862 1.00 0.00 C ATOM 1203 O LYS A 78 -2.725 -3.733 -5.089 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.096 -1.746 -7.449 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.187 -1.671 -8.699 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.938 -1.792 -10.040 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.988 -1.699 -11.254 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.701 -1.886 -12.539 1.00 0.00 N ATOM 0 H LYS A 78 -2.440 0.112 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.076 -1.595 -5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.632 -2.695 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.845 -0.956 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.646 -0.725 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.443 -2.465 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.471 -2.742 -10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.687 -1.003 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.494 -0.727 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.207 -2.454 -11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.024 -1.815 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.151 -2.823 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.429 -1.151 -12.642 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.236 -2.791 -6.525 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.231 -3.862 -6.455 1.00 0.00 C ATOM 1224 C ASN A 79 0.458 -3.844 -5.088 1.00 0.00 C ATOM 1225 O ASN A 79 0.736 -4.888 -4.528 1.00 0.00 O ATOM 1226 CB ASN A 79 0.810 -3.720 -7.588 1.00 0.00 C ATOM 1227 CG ASN A 79 0.208 -3.899 -8.979 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.112 -2.803 -9.647 1.00 0.00 O flip ATOM 1229 ND2 ASN A 79 0.047 -5.024 -9.450 1.00 0.00 N flip ATOM 0 H ASN A 79 -0.963 -2.016 -7.129 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.737 -4.819 -6.584 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.276 -2.737 -7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.600 -4.457 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.306 -5.847 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.345 -5.134 -10.385 1.00 0.00 H new ATOM 1236 N LEU A 80 0.692 -2.627 -4.587 1.00 0.00 N ATOM 1237 CA LEU A 80 1.280 -2.359 -3.274 1.00 0.00 C ATOM 1238 C LEU A 80 0.362 -2.910 -2.183 1.00 0.00 C ATOM 1239 O LEU A 80 0.814 -3.619 -1.302 1.00 0.00 O ATOM 1240 CB LEU A 80 1.486 -0.827 -3.088 1.00 0.00 C ATOM 1241 CG LEU A 80 2.035 -0.367 -1.703 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.475 -0.883 -1.453 1.00 0.00 C ATOM 1243 CD2 LEU A 80 1.933 1.165 -1.550 1.00 0.00 C ATOM 0 H LEU A 80 0.470 -1.775 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 80 2.250 -2.850 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.171 -0.478 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.531 -0.330 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 80 1.408 -0.815 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.820 -0.540 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.480 -1.973 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.139 -0.499 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.322 1.460 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.515 1.649 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.890 1.470 -1.631 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.942 -2.584 -2.285 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.973 -3.075 -1.348 1.00 0.00 C ATOM 1257 C ALA A 81 -2.037 -4.611 -1.349 1.00 0.00 C ATOM 1258 O ALA A 81 -2.284 -5.226 -0.318 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.342 -2.467 -1.692 1.00 0.00 C ATOM 0 H ALA A 81 -1.309 -1.975 -3.016 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.698 -2.757 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.091 -2.838 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.286 -1.381 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.621 -2.750 -2.707 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.787 -5.215 -2.525 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.718 -6.679 -2.682 1.00 0.00 C ATOM 1267 C ALA A 82 -0.462 -7.262 -1.995 1.00 0.00 C ATOM 1268 O ALA A 82 -0.530 -8.333 -1.386 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.752 -7.039 -4.176 1.00 0.00 C ATOM 0 H ALA A 82 -1.627 -4.702 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.584 -7.124 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.701 -8.122 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.678 -6.671 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.901 -6.580 -4.680 1.00 0.00 H new ATOM 1275 N ARG A 83 0.686 -6.550 -2.128 1.00 0.00 N ATOM 1276 CA ARG A 83 1.968 -6.926 -1.472 1.00 0.00 C ATOM 1277 C ARG A 83 1.817 -6.940 0.056 1.00 0.00 C ATOM 1278 O ARG A 83 2.232 -7.872 0.733 1.00 0.00 O ATOM 1279 CB ARG A 83 3.110 -5.935 -1.850 1.00 0.00 C ATOM 1280 CG ARG A 83 3.471 -5.792 -3.349 1.00 0.00 C ATOM 1281 CD ARG A 83 3.934 -7.101 -4.020 1.00 0.00 C ATOM 1282 NE ARG A 83 2.841 -8.057 -4.217 1.00 0.00 N ATOM 1283 CZ ARG A 83 2.045 -8.129 -5.295 1.00 0.00 C ATOM 1284 NH1 ARG A 83 2.196 -7.292 -6.328 1.00 0.00 N ATOM 1285 NH2 ARG A 83 1.083 -9.036 -5.327 1.00 0.00 N ATOM 0 H ARG A 83 0.751 -5.702 -2.691 1.00 0.00 H new ATOM 0 HA ARG A 83 2.226 -7.924 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.836 -4.949 -1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.010 -6.240 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.602 -5.411 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.260 -5.047 -3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.386 -6.869 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.709 -7.563 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 83 2.670 -8.728 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.927 -6.581 -6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.580 -7.365 -7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.953 -9.670 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.471 -9.102 -6.140 1.00 0.00 H new ATOM 1299 N ILE A 84 1.230 -5.862 0.564 1.00 0.00 N ATOM 1300 CA ILE A 84 0.996 -5.651 1.992 1.00 0.00 C ATOM 1301 C ILE A 84 0.042 -6.718 2.549 1.00 0.00 C ATOM 1302 O ILE A 84 0.366 -7.394 3.528 1.00 0.00 O ATOM 1303 CB ILE A 84 0.415 -4.208 2.211 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.440 -3.140 1.705 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.020 -3.959 3.685 1.00 0.00 C ATOM 1306 CD1 ILE A 84 0.898 -1.734 1.594 1.00 0.00 C ATOM 0 H ILE A 84 0.896 -5.093 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 84 1.939 -5.741 2.531 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.501 -4.119 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.295 -3.131 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.810 -3.449 0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.377 -2.949 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.740 -4.680 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.898 -4.072 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.683 -1.069 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.063 -1.720 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.556 -1.398 2.573 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.110 -6.885 1.875 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.183 -7.794 2.314 1.00 0.00 C ATOM 1320 C ASP A 85 -1.730 -9.266 2.319 1.00 0.00 C ATOM 1321 O ASP A 85 -2.095 -10.011 3.234 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.437 -7.620 1.424 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.622 -8.501 1.871 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.321 -8.121 2.838 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.852 -9.577 1.271 1.00 0.00 O ATOM 0 H ASP A 85 -1.323 -6.392 1.008 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.433 -7.527 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.744 -6.574 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.180 -7.862 0.393 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.941 -9.674 1.297 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.445 -11.067 1.191 1.00 0.00 C ATOM 1332 C GLU A 86 0.552 -11.366 2.326 1.00 0.00 C ATOM 1333 O GLU A 86 0.554 -12.469 2.854 1.00 0.00 O ATOM 1334 CB GLU A 86 0.202 -11.369 -0.200 1.00 0.00 C ATOM 1335 CG GLU A 86 1.568 -10.699 -0.449 1.00 0.00 C ATOM 1336 CD GLU A 86 2.186 -11.051 -1.803 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.785 -10.447 -2.812 1.00 0.00 O ATOM 1338 OE2 GLU A 86 3.065 -11.938 -1.867 1.00 0.00 O ATOM 0 H GLU A 86 -0.636 -9.063 0.539 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.309 -11.724 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.321 -12.448 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.489 -11.050 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.450 -9.617 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.257 -10.993 0.343 1.00 0.00 H new ATOM 1345 N LEU A 87 1.396 -10.367 2.684 1.00 0.00 N ATOM 1346 CA LEU A 87 2.356 -10.492 3.800 1.00 0.00 C ATOM 1347 C LEU A 87 1.642 -10.492 5.161 1.00 0.00 C ATOM 1348 O LEU A 87 2.098 -11.154 6.084 1.00 0.00 O ATOM 1349 CB LEU A 87 3.445 -9.385 3.736 1.00 0.00 C ATOM 1350 CG LEU A 87 4.396 -9.452 2.495 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.437 -8.314 2.529 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.081 -10.833 2.372 1.00 0.00 C ATOM 0 H LEU A 87 1.428 -9.464 2.211 1.00 0.00 H new ATOM 0 HA LEU A 87 2.856 -11.455 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.952 -8.413 3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.051 -9.442 4.640 1.00 0.00 H new ATOM 0 HG LEU A 87 3.780 -9.316 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.084 -8.386 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.925 -7.352 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.039 -8.399 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.733 -10.839 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.672 -11.027 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.322 -11.607 2.264 1.00 0.00 H new ATOM 1364 N VAL A 88 0.513 -9.750 5.270 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.353 -9.777 6.476 1.00 0.00 C ATOM 1366 C VAL A 88 -0.992 -11.173 6.619 1.00 0.00 C ATOM 1367 O VAL A 88 -1.013 -11.767 7.715 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.469 -8.653 6.437 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.471 -8.799 7.613 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.845 -7.235 6.440 1.00 0.00 C ATOM 0 H VAL A 88 0.180 -9.124 4.536 1.00 0.00 H new ATOM 0 HA VAL A 88 0.272 -9.570 7.344 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.018 -8.786 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.221 -8.010 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.961 -9.771 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.936 -8.718 8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.639 -6.488 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.251 -7.101 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.206 -7.117 5.565 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.461 -11.707 5.482 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.093 -13.032 5.411 1.00 0.00 C ATOM 1382 C ALA A 89 -1.080 -14.123 5.791 1.00 0.00 C ATOM 1383 O ALA A 89 -1.375 -14.985 6.610 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.671 -13.282 4.003 1.00 0.00 C ATOM 0 H ALA A 89 -1.412 -11.230 4.582 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.917 -13.066 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.135 -14.268 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.418 -12.522 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.869 -13.233 3.267 1.00 0.00 H new ATOM 1390 N ALA A 90 0.135 -14.014 5.219 1.00 0.00 N ATOM 1391 CA ALA A 90 1.219 -14.992 5.384 1.00 0.00 C ATOM 1392 C ALA A 90 1.718 -15.046 6.835 1.00 0.00 C ATOM 1393 O ALA A 90 1.893 -16.136 7.387 1.00 0.00 O ATOM 1394 CB ALA A 90 2.375 -14.646 4.431 1.00 0.00 C ATOM 0 H ALA A 90 0.391 -13.229 4.620 1.00 0.00 H new ATOM 0 HA ALA A 90 0.828 -15.979 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.178 -15.372 4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.018 -14.672 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.749 -13.648 4.660 1.00 0.00 H new ATOM 1400 N LYS A 91 1.897 -13.857 7.455 1.00 0.00 N ATOM 1401 CA LYS A 91 2.451 -13.748 8.824 1.00 0.00 C ATOM 1402 C LYS A 91 1.425 -14.248 9.856 1.00 0.00 C ATOM 1403 O LYS A 91 1.796 -14.657 10.954 1.00 0.00 O ATOM 1404 CB LYS A 91 2.916 -12.281 9.121 1.00 0.00 C ATOM 1405 CG LYS A 91 1.790 -11.205 9.198 1.00 0.00 C ATOM 1406 CD LYS A 91 1.187 -10.982 10.605 1.00 0.00 C ATOM 1407 CE LYS A 91 2.188 -10.346 11.578 1.00 0.00 C ATOM 1408 NZ LYS A 91 1.564 -10.032 12.879 1.00 0.00 N ATOM 0 H LYS A 91 1.666 -12.960 7.029 1.00 0.00 H new ATOM 0 HA LYS A 91 3.333 -14.385 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.458 -12.278 10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.623 -11.982 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.190 -10.257 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.988 -11.492 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.308 -10.342 10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.850 -11.937 11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.027 -11.025 11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.592 -9.434 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.272 -9.604 13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.779 -9.365 12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.201 -10.906 13.310 1.00 0.00 H new ATOM 1422 N GLY A 92 0.126 -14.199 9.481 1.00 0.00 N ATOM 1423 CA GLY A 92 -0.948 -14.701 10.333 1.00 0.00 C ATOM 1424 C GLY A 92 -1.259 -16.173 10.048 1.00 0.00 C ATOM 1425 O GLY A 92 -1.899 -16.851 10.861 1.00 0.00 O ATOM 0 H GLY A 92 -0.192 -13.814 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.666 -14.585 11.380 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.846 -14.103 10.177 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.799 -16.670 8.882 1.00 0.00 N ATOM 1430 CA ALA A 93 -1.049 -18.054 8.422 1.00 0.00 C ATOM 1431 C ALA A 93 0.069 -19.020 8.835 1.00 0.00 C ATOM 1432 O ALA A 93 0.034 -20.184 8.443 1.00 0.00 O ATOM 1433 CB ALA A 93 -1.216 -18.074 6.892 1.00 0.00 C ATOM 0 H ALA A 93 -0.241 -16.121 8.229 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.966 -18.394 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.400 -19.096 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.059 -17.443 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.308 -17.697 6.422 1.00 0.00 H new ATOM 1439 N LEU A 94 1.045 -18.542 9.625 1.00 0.00 N ATOM 1440 CA LEU A 94 2.187 -19.358 10.090 1.00 0.00 C ATOM 1441 C LEU A 94 1.739 -20.436 11.106 1.00 0.00 C ATOM 1442 O LEU A 94 0.606 -20.396 11.614 1.00 0.00 O ATOM 1443 CB LEU A 94 3.283 -18.439 10.699 1.00 0.00 C ATOM 1444 CG LEU A 94 3.850 -17.331 9.745 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.873 -16.429 10.457 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.444 -17.945 8.461 1.00 0.00 C ATOM 0 H LEU A 94 1.067 -17.579 9.961 1.00 0.00 H new ATOM 0 HA LEU A 94 2.605 -19.881 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.873 -17.954 11.585 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.111 -19.064 11.032 1.00 0.00 H new ATOM 0 HG LEU A 94 3.011 -16.699 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.241 -15.675 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.396 -15.937 11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.708 -17.034 10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.828 -17.150 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.256 -18.623 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.669 -18.496 7.929 1.00 0.00 H new ATOM 1458 N GLU A 95 2.639 -21.420 11.344 1.00 0.00 N ATOM 1459 CA GLU A 95 2.461 -22.516 12.333 1.00 0.00 C ATOM 1460 C GLU A 95 1.429 -23.578 11.848 1.00 0.00 C ATOM 1461 O GLU A 95 1.126 -24.536 12.561 1.00 0.00 O ATOM 1462 CB GLU A 95 2.118 -21.947 13.760 1.00 0.00 C ATOM 1463 CG GLU A 95 2.183 -22.971 14.916 1.00 0.00 C ATOM 1464 CD GLU A 95 1.928 -22.358 16.301 1.00 0.00 C ATOM 1465 OE1 GLU A 95 2.897 -21.896 16.954 1.00 0.00 O ATOM 1466 OE2 GLU A 95 0.757 -22.321 16.741 1.00 0.00 O ATOM 0 H GLU A 95 3.527 -21.477 10.845 1.00 0.00 H new ATOM 0 HA GLU A 95 3.414 -23.038 12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.805 -21.130 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.115 -21.521 13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.449 -23.756 14.735 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.164 -23.446 14.914 1.00 0.00 H new ATOM 1473 N HIS A 96 0.931 -23.442 10.601 1.00 0.00 N ATOM 1474 CA HIS A 96 -0.090 -24.356 10.043 1.00 0.00 C ATOM 1475 C HIS A 96 0.575 -25.443 9.177 1.00 0.00 C ATOM 1476 O HIS A 96 0.781 -26.568 9.645 1.00 0.00 O ATOM 1477 CB HIS A 96 -1.155 -23.553 9.250 1.00 0.00 C ATOM 1478 CG HIS A 96 -1.899 -22.546 10.092 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -2.216 -21.287 9.649 1.00 0.00 N ATOM 1480 CD2 HIS A 96 -2.386 -22.625 11.356 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -2.849 -20.627 10.596 1.00 0.00 C ATOM 1482 NE2 HIS A 96 -2.962 -21.413 11.643 1.00 0.00 N ATOM 0 H HIS A 96 1.221 -22.705 9.958 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.602 -24.861 10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.667 -23.035 8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.871 -24.248 8.812 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.994 -20.918 8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.331 -23.481 12.013 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.213 -19.613 10.525 1.00 0.00 H new ATOM 1491 N HIS A 97 0.933 -25.102 7.915 1.00 0.00 N ATOM 1492 CA HIS A 97 1.573 -26.047 6.964 1.00 0.00 C ATOM 1493 C HIS A 97 2.556 -25.305 6.026 1.00 0.00 C ATOM 1494 O HIS A 97 3.728 -25.683 5.923 1.00 0.00 O ATOM 1495 CB HIS A 97 0.508 -26.821 6.128 1.00 0.00 C ATOM 1496 CG HIS A 97 -0.230 -27.897 6.892 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -1.598 -27.908 7.058 1.00 0.00 N ATOM 1498 CD2 HIS A 97 0.227 -29.009 7.521 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -1.946 -28.961 7.770 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -0.860 -29.649 8.060 1.00 0.00 N ATOM 0 H HIS A 97 0.788 -24.169 7.528 1.00 0.00 H new ATOM 0 HA HIS A 97 2.134 -26.773 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.218 -26.107 5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.000 -27.276 5.269 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.256 -29.331 7.585 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.952 -29.217 8.066 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.832 -30.516 8.597 1.00 0.00 H new ATOM 1509 N HIS A 98 2.074 -24.237 5.358 1.00 0.00 N ATOM 1510 CA HIS A 98 2.884 -23.477 4.376 1.00 0.00 C ATOM 1511 C HIS A 98 2.351 -22.038 4.234 1.00 0.00 C ATOM 1512 O HIS A 98 3.088 -21.068 4.452 1.00 0.00 O ATOM 1513 CB HIS A 98 2.887 -24.201 3.000 1.00 0.00 C ATOM 1514 CG HIS A 98 3.631 -23.477 1.898 1.00 0.00 C ATOM 1515 ND1 HIS A 98 3.017 -23.014 0.751 1.00 0.00 N ATOM 1516 CD2 HIS A 98 4.939 -23.149 1.770 1.00 0.00 C ATOM 1517 CE1 HIS A 98 3.907 -22.434 -0.027 1.00 0.00 C ATOM 1518 NE2 HIS A 98 5.078 -22.503 0.566 1.00 0.00 N ATOM 0 H HIS A 98 1.127 -23.879 5.479 1.00 0.00 H new ATOM 0 HA HIS A 98 3.911 -23.426 4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.329 -25.189 3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 98 1.855 -24.351 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.725 -23.356 2.481 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.709 -21.980 -0.987 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.952 -22.135 0.191 1.00 0.00 H new ATOM 1527 N HIS A 99 1.061 -21.922 3.859 1.00 0.00 N ATOM 1528 CA HIS A 99 0.399 -20.619 3.602 1.00 0.00 C ATOM 1529 C HIS A 99 -1.127 -20.853 3.579 1.00 0.00 C ATOM 1530 O HIS A 99 -1.898 -20.144 4.247 1.00 0.00 O ATOM 1531 CB HIS A 99 0.901 -20.031 2.243 1.00 0.00 C ATOM 1532 CG HIS A 99 0.584 -18.570 2.010 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -0.153 -18.103 0.938 1.00 0.00 N ATOM 1534 CD2 HIS A 99 0.984 -17.462 2.678 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -0.178 -16.783 0.958 1.00 0.00 C ATOM 1536 NE2 HIS A 99 0.502 -16.366 2.003 1.00 0.00 N ATOM 0 H HIS A 99 0.447 -22.725 3.725 1.00 0.00 H new ATOM 0 HA HIS A 99 0.642 -19.900 4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 99 1.981 -20.164 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 99 0.465 -20.614 1.432 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -0.608 -18.689 0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 99 1.576 -17.443 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.674 -16.151 0.236 1.00 0.00 H new ATOM 1545 N HIS A 100 -1.518 -21.840 2.735 1.00 0.00 N ATOM 1546 CA HIS A 100 -2.887 -22.417 2.608 1.00 0.00 C ATOM 1547 C HIS A 100 -3.907 -21.463 1.935 1.00 0.00 C ATOM 1548 O HIS A 100 -4.974 -21.917 1.505 1.00 0.00 O ATOM 1549 CB HIS A 100 -3.411 -22.918 3.982 1.00 0.00 C ATOM 1550 CG HIS A 100 -4.563 -23.897 3.898 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -5.851 -23.586 4.281 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -4.594 -25.194 3.502 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -6.622 -24.648 4.121 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -5.886 -25.634 3.650 1.00 0.00 N ATOM 0 H HIS A 100 -0.859 -22.279 2.092 1.00 0.00 H new ATOM 0 HA HIS A 100 -2.790 -23.270 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -2.589 -23.390 4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -3.725 -22.057 4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -3.758 -25.773 3.138 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -7.678 -24.699 4.340 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -6.222 -26.572 3.431 1.00 0.00 H new ATOM 1563 N HIS A 101 -3.574 -20.164 1.841 1.00 0.00 N ATOM 1564 CA HIS A 101 -4.470 -19.130 1.302 1.00 0.00 C ATOM 1565 C HIS A 101 -3.611 -17.975 0.722 1.00 0.00 C ATOM 1566 O HIS A 101 -3.113 -18.126 -0.412 1.00 0.00 O ATOM 1567 CB HIS A 101 -5.470 -18.657 2.412 1.00 0.00 C ATOM 1568 CG HIS A 101 -6.461 -17.622 1.958 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -7.463 -17.886 1.055 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -6.571 -16.305 2.254 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -8.136 -16.780 0.814 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -7.619 -15.811 1.528 1.00 0.00 N ATOM 1573 OXT HIS A 101 -3.396 -16.946 1.408 1.00 0.00 O ATOM 0 H HIS A 101 -2.669 -19.801 2.139 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.078 -19.527 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.015 -19.524 2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.900 -18.254 3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.947 -15.748 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.975 -16.687 0.140 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -7.945 -14.845 1.540 1.00 0.00 H new TER 1582 HIS A 101