USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 52 HIS : no HD1:sc= -0.189 K(o=-0.46,f=-1.1) USER MOD Set 1.2: A 77 ASN : amide:sc= -0.269 K(o=-0.46,f=-1.1) USER MOD Set 2.1: A 59 SER OG : rot -176:sc= 1.07 USER MOD Set 2.2: A 94 HIS : no HE2:sc= 0.0997 K(o=1.2,f=-4.6) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.0172 X(o=0.82,f=0.7) USER MOD Set 3.2: A 47 THR OG1 : rot 103:sc= 0.84 USER MOD Set 4.1: A 26 THR OG1 : rot 19:sc= 1.54 USER MOD Set 4.2: A 75 TYR OH : rot 41:sc= 1.28 USER MOD Set 5.1: A 23 THR OG1 : rot -37:sc= 1.27 USER MOD Set 5.2: A 72 CYS SG : rot 180:sc= -1.01 USER MOD Set 5.3: A 74 HIS : no HE2:sc= -1.6 K(o=-1.3,f=-4.1!) USER MOD Set 6.1: A 1 MET N :NH3+ 172:sc= -0.205 (180deg=-0.374) USER MOD Set 6.2: A 97 SER OG : rot 28:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.212 (180deg=-0.97) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc=-0.00121 (180deg=-0.0862) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0811 K(o=-0.081,f=-2!) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 1.13 (180deg=-0.623) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.843 K(o=-0.84,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -86:sc= 0.506 USER MOD Single : A 61 SER OG : rot -37:sc= 0.617 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00681 USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= 1.26 (180deg=1.02) USER MOD Single : A 71 THR OG1 : rot 40:sc= 0.0448 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 87 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.5) USER MOD Single : A 89 HIS : no HE2:sc= -4.5! C(o=-4.5!,f=-10!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 160:sc= -0.751 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.324 -7.645 10.810 1.00 0.00 N ATOM 2 CA MET A 1 -10.209 -8.859 9.968 1.00 0.00 C ATOM 3 C MET A 1 -9.164 -8.648 8.886 1.00 0.00 C ATOM 4 O MET A 1 -9.009 -9.460 7.973 1.00 0.00 O ATOM 5 CB MET A 1 -11.566 -9.186 9.338 1.00 0.00 C ATOM 6 CG MET A 1 -11.619 -10.540 8.642 1.00 0.00 C ATOM 7 SD MET A 1 -13.149 -10.793 7.723 1.00 0.00 S ATOM 8 CE MET A 1 -13.038 -9.475 6.514 1.00 0.00 C ATOM 0 H1 MET A 1 -11.131 -7.747 11.458 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.451 -7.521 11.361 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.471 -6.814 10.202 1.00 0.00 H new ATOM 0 HA MET A 1 -9.899 -9.697 10.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.331 -9.158 10.114 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.816 -8.409 8.616 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.773 -10.627 7.961 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.512 -11.330 9.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.638 -9.731 5.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.410 -8.548 6.951 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.998 -9.343 6.214 1.00 0.00 H new ATOM 20 N TYR A 2 -8.434 -7.561 9.032 1.00 0.00 N ATOM 21 CA TYR A 2 -7.455 -7.120 8.043 1.00 0.00 C ATOM 22 C TYR A 2 -8.092 -6.925 6.671 1.00 0.00 C ATOM 23 O TYR A 2 -9.318 -6.911 6.537 1.00 0.00 O ATOM 24 CB TYR A 2 -6.272 -8.089 7.966 1.00 0.00 C ATOM 25 CG TYR A 2 -5.424 -8.094 9.221 1.00 0.00 C ATOM 26 CD1 TYR A 2 -4.380 -7.191 9.378 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.670 -8.994 10.249 1.00 0.00 C ATOM 28 CE1 TYR A 2 -3.606 -7.184 10.522 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.898 -8.994 11.396 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.868 -8.088 11.526 1.00 0.00 C ATOM 31 OH TYR A 2 -3.101 -8.081 12.666 1.00 0.00 O ATOM 0 H TYR A 2 -8.500 -6.949 9.846 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.076 -6.152 8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.647 -9.096 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.647 -7.823 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.170 -6.482 8.591 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -6.477 -9.705 10.151 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -2.800 -6.473 10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -5.101 -9.701 12.187 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.416 -8.780 13.276 1.00 0.00 H new ATOM 41 N LEU A 3 -7.258 -6.738 5.664 1.00 0.00 N ATOM 42 CA LEU A 3 -7.730 -6.518 4.307 1.00 0.00 C ATOM 43 C LEU A 3 -6.975 -7.417 3.343 1.00 0.00 C ATOM 44 O LEU A 3 -5.744 -7.443 3.351 1.00 0.00 O ATOM 45 CB LEU A 3 -7.536 -5.051 3.904 1.00 0.00 C ATOM 46 CG LEU A 3 -8.310 -4.030 4.740 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.912 -2.616 4.346 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.809 -4.224 4.572 1.00 0.00 C ATOM 0 H LEU A 3 -6.243 -6.734 5.761 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.793 -6.757 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.474 -4.813 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.829 -4.937 2.860 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.060 -4.184 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.470 -1.900 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.844 -2.478 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.136 -2.455 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.341 -3.488 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.077 -4.096 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.085 -5.227 4.897 1.00 0.00 H new ATOM 60 N ARG A 4 -7.709 -8.159 2.525 1.00 0.00 N ATOM 61 CA ARG A 4 -7.093 -9.007 1.512 1.00 0.00 C ATOM 62 C ARG A 4 -6.360 -8.132 0.502 1.00 0.00 C ATOM 63 O ARG A 4 -6.747 -6.981 0.288 1.00 0.00 O ATOM 64 CB ARG A 4 -8.144 -9.856 0.788 1.00 0.00 C ATOM 65 CG ARG A 4 -9.085 -10.610 1.714 1.00 0.00 C ATOM 66 CD ARG A 4 -9.948 -11.603 0.947 1.00 0.00 C ATOM 67 NE ARG A 4 -9.342 -12.934 0.884 1.00 0.00 N ATOM 68 CZ ARG A 4 -8.822 -13.485 -0.218 1.00 0.00 C ATOM 69 NH1 ARG A 4 -8.712 -12.780 -1.334 1.00 0.00 N ATOM 70 NH2 ARG A 4 -8.381 -14.735 -0.185 1.00 0.00 N ATOM 0 H ARG A 4 -8.728 -8.192 2.542 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.391 -9.680 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.733 -9.208 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.634 -10.573 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.506 -11.139 2.471 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.725 -9.901 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.926 -11.674 1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.112 -11.233 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.314 -13.482 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.025 -11.809 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.314 -13.208 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.439 -15.274 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.984 -15.158 -1.024 1.00 0.00 H new ATOM 84 N PRO A 5 -5.303 -8.658 -0.138 1.00 0.00 N ATOM 85 CA PRO A 5 -4.534 -7.912 -1.144 1.00 0.00 C ATOM 86 C PRO A 5 -5.436 -7.385 -2.262 1.00 0.00 C ATOM 87 O PRO A 5 -5.215 -6.300 -2.805 1.00 0.00 O ATOM 88 CB PRO A 5 -3.530 -8.949 -1.682 1.00 0.00 C ATOM 89 CG PRO A 5 -4.052 -10.274 -1.234 1.00 0.00 C ATOM 90 CD PRO A 5 -4.772 -10.014 0.056 1.00 0.00 C ATOM 0 HA PRO A 5 -4.048 -7.030 -0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.460 -8.901 -2.769 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.529 -8.768 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.724 -10.701 -1.978 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.240 -10.987 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.567 -10.739 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.100 -10.067 0.913 1.00 0.00 H new ATOM 98 N ASP A 6 -6.466 -8.166 -2.577 1.00 0.00 N ATOM 99 CA ASP A 6 -7.469 -7.795 -3.570 1.00 0.00 C ATOM 100 C ASP A 6 -8.181 -6.512 -3.159 1.00 0.00 C ATOM 101 O ASP A 6 -8.405 -5.617 -3.975 1.00 0.00 O ATOM 102 CB ASP A 6 -8.521 -8.901 -3.705 1.00 0.00 C ATOM 103 CG ASP A 6 -7.935 -10.297 -3.660 1.00 0.00 C ATOM 104 OD1 ASP A 6 -7.438 -10.696 -2.587 1.00 0.00 O ATOM 105 OD2 ASP A 6 -7.996 -11.008 -4.684 1.00 0.00 O ATOM 0 H ASP A 6 -6.629 -9.077 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.955 -7.647 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.253 -8.796 -2.904 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.057 -8.770 -4.645 1.00 0.00 H new ATOM 110 N GLU A 7 -8.534 -6.440 -1.879 1.00 0.00 N ATOM 111 CA GLU A 7 -9.314 -5.331 -1.348 1.00 0.00 C ATOM 112 C GLU A 7 -8.478 -4.057 -1.322 1.00 0.00 C ATOM 113 O GLU A 7 -8.960 -2.982 -1.676 1.00 0.00 O ATOM 114 CB GLU A 7 -9.809 -5.671 0.061 1.00 0.00 C ATOM 115 CG GLU A 7 -10.886 -4.733 0.586 1.00 0.00 C ATOM 116 CD GLU A 7 -12.163 -4.793 -0.231 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.779 -5.878 -0.300 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.550 -3.765 -0.821 1.00 0.00 O ATOM 0 H GLU A 7 -8.288 -7.146 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.175 -5.164 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.198 -6.689 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.961 -5.653 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.110 -4.987 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.505 -3.712 0.583 1.00 0.00 H new ATOM 125 N VAL A 8 -7.221 -4.198 -0.915 1.00 0.00 N ATOM 126 CA VAL A 8 -6.297 -3.071 -0.868 1.00 0.00 C ATOM 127 C VAL A 8 -6.166 -2.432 -2.247 1.00 0.00 C ATOM 128 O VAL A 8 -6.202 -1.208 -2.384 1.00 0.00 O ATOM 129 CB VAL A 8 -4.902 -3.506 -0.367 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.946 -2.322 -0.312 1.00 0.00 C ATOM 131 CG2 VAL A 8 -5.012 -4.165 0.998 1.00 0.00 C ATOM 0 H VAL A 8 -6.818 -5.085 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.704 -2.343 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.499 -4.231 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.972 -2.657 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.840 -1.893 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.341 -1.567 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.021 -4.466 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.440 -3.459 1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.654 -5.043 0.927 1.00 0.00 H new ATOM 141 N ALA A 9 -6.037 -3.275 -3.267 1.00 0.00 N ATOM 142 CA ALA A 9 -5.936 -2.807 -4.640 1.00 0.00 C ATOM 143 C ALA A 9 -7.176 -2.015 -5.039 1.00 0.00 C ATOM 144 O ALA A 9 -7.072 -0.959 -5.658 1.00 0.00 O ATOM 145 CB ALA A 9 -5.724 -3.979 -5.587 1.00 0.00 C ATOM 0 H ALA A 9 -6.000 -4.289 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.074 -2.143 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.651 -3.611 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.804 -4.499 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.566 -4.667 -5.508 1.00 0.00 H new ATOM 151 N ARG A 10 -8.347 -2.523 -4.662 1.00 0.00 N ATOM 152 CA ARG A 10 -9.610 -1.862 -4.990 1.00 0.00 C ATOM 153 C ARG A 10 -9.684 -0.459 -4.393 1.00 0.00 C ATOM 154 O ARG A 10 -10.217 0.460 -5.017 1.00 0.00 O ATOM 155 CB ARG A 10 -10.803 -2.701 -4.524 1.00 0.00 C ATOM 156 CG ARG A 10 -11.016 -3.947 -5.366 1.00 0.00 C ATOM 157 CD ARG A 10 -12.299 -4.678 -4.999 1.00 0.00 C ATOM 158 NE ARG A 10 -12.209 -5.377 -3.714 1.00 0.00 N ATOM 159 CZ ARG A 10 -12.007 -6.693 -3.603 1.00 0.00 C ATOM 160 NH1 ARG A 10 -11.737 -7.419 -4.679 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.049 -7.287 -2.420 1.00 0.00 N ATOM 0 H ARG A 10 -8.449 -3.388 -4.131 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.652 -1.767 -6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.651 -2.993 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.705 -2.089 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.047 -3.670 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.168 -4.619 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.121 -3.963 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.538 -5.397 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.306 -4.830 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.683 -6.973 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.583 -8.424 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.237 -6.739 -1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.893 -8.292 -2.348 1.00 0.00 H new ATOM 175 N VAL A 11 -9.146 -0.292 -3.190 1.00 0.00 N ATOM 176 CA VAL A 11 -9.120 1.015 -2.544 1.00 0.00 C ATOM 177 C VAL A 11 -8.196 1.957 -3.312 1.00 0.00 C ATOM 178 O VAL A 11 -8.530 3.120 -3.546 1.00 0.00 O ATOM 179 CB VAL A 11 -8.658 0.920 -1.073 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.728 2.280 -0.395 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.498 -0.096 -0.312 1.00 0.00 C ATOM 0 H VAL A 11 -8.723 -1.043 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.137 1.406 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.620 0.587 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.398 2.188 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.082 2.982 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.755 2.645 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.157 -0.148 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.545 0.208 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.395 -1.076 -0.778 1.00 0.00 H new ATOM 191 N LEU A 12 -7.044 1.438 -3.715 1.00 0.00 N ATOM 192 CA LEU A 12 -6.093 2.201 -4.518 1.00 0.00 C ATOM 193 C LEU A 12 -6.726 2.627 -5.840 1.00 0.00 C ATOM 194 O LEU A 12 -6.640 3.792 -6.235 1.00 0.00 O ATOM 195 CB LEU A 12 -4.834 1.374 -4.782 1.00 0.00 C ATOM 196 CG LEU A 12 -4.040 0.984 -3.533 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.883 0.079 -3.906 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.529 2.224 -2.816 1.00 0.00 C ATOM 0 H LEU A 12 -6.743 0.488 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.816 3.096 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.120 0.465 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.181 1.938 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.704 0.443 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.327 -0.190 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.266 -0.825 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.222 0.600 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.967 1.927 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.880 2.790 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.373 2.846 -2.518 1.00 0.00 H new ATOM 210 N GLU A 13 -7.373 1.683 -6.512 1.00 0.00 N ATOM 211 CA GLU A 13 -8.041 1.955 -7.775 1.00 0.00 C ATOM 212 C GLU A 13 -9.124 3.017 -7.604 1.00 0.00 C ATOM 213 O GLU A 13 -9.331 3.854 -8.483 1.00 0.00 O ATOM 214 CB GLU A 13 -8.643 0.667 -8.326 1.00 0.00 C ATOM 215 CG GLU A 13 -7.600 -0.378 -8.683 1.00 0.00 C ATOM 216 CD GLU A 13 -8.210 -1.660 -9.207 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.578 -1.701 -10.402 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.310 -2.638 -8.438 1.00 0.00 O ATOM 0 H GLU A 13 -7.448 0.715 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.305 2.338 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.328 0.249 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.233 0.900 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.925 0.031 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.999 -0.601 -7.801 1.00 0.00 H new ATOM 225 N LYS A 14 -9.801 2.978 -6.465 1.00 0.00 N ATOM 226 CA LYS A 14 -10.826 3.963 -6.138 1.00 0.00 C ATOM 227 C LYS A 14 -10.197 5.343 -5.985 1.00 0.00 C ATOM 228 O LYS A 14 -10.682 6.333 -6.534 1.00 0.00 O ATOM 229 CB LYS A 14 -11.515 3.579 -4.831 1.00 0.00 C ATOM 230 CG LYS A 14 -12.836 4.296 -4.600 1.00 0.00 C ATOM 231 CD LYS A 14 -13.369 4.056 -3.195 1.00 0.00 C ATOM 232 CE LYS A 14 -13.627 2.582 -2.923 1.00 0.00 C ATOM 233 NZ LYS A 14 -14.653 2.012 -3.834 1.00 0.00 N ATOM 0 H LYS A 14 -9.658 2.269 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.558 3.987 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.690 2.503 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.844 3.796 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.702 5.366 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.569 3.953 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.654 4.438 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.294 4.616 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.696 2.026 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.952 2.457 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.906 1.055 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.500 2.615 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.272 1.966 -4.801 1.00 0.00 H new ATOM 247 N ALA A 15 -9.100 5.379 -5.242 1.00 0.00 N ATOM 248 CA ALA A 15 -8.396 6.624 -4.941 1.00 0.00 C ATOM 249 C ALA A 15 -7.713 7.225 -6.174 1.00 0.00 C ATOM 250 O ALA A 15 -7.176 8.332 -6.114 1.00 0.00 O ATOM 251 CB ALA A 15 -7.378 6.396 -3.833 1.00 0.00 C ATOM 0 H ALA A 15 -8.671 4.550 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.144 7.344 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.860 7.330 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.889 6.049 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.655 5.645 -4.152 1.00 0.00 H new ATOM 257 N GLY A 16 -7.721 6.496 -7.282 1.00 0.00 N ATOM 258 CA GLY A 16 -7.166 7.022 -8.516 1.00 0.00 C ATOM 259 C GLY A 16 -5.727 6.610 -8.735 1.00 0.00 C ATOM 260 O GLY A 16 -4.941 7.349 -9.327 1.00 0.00 O ATOM 0 H GLY A 16 -8.101 5.552 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.769 6.678 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.229 8.110 -8.503 1.00 0.00 H new ATOM 264 N PHE A 17 -5.377 5.429 -8.256 1.00 0.00 N ATOM 265 CA PHE A 17 -4.025 4.917 -8.415 1.00 0.00 C ATOM 266 C PHE A 17 -3.880 4.114 -9.695 1.00 0.00 C ATOM 267 O PHE A 17 -4.869 3.713 -10.313 1.00 0.00 O ATOM 268 CB PHE A 17 -3.630 4.056 -7.220 1.00 0.00 C ATOM 269 CG PHE A 17 -3.208 4.834 -6.002 1.00 0.00 C ATOM 270 CD1 PHE A 17 -4.117 5.613 -5.303 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.898 4.774 -5.552 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.725 6.320 -4.182 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.501 5.480 -4.432 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.416 6.254 -3.746 1.00 0.00 C ATOM 0 H PHE A 17 -6.009 4.806 -7.754 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.358 5.777 -8.473 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.473 3.418 -6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.813 3.398 -7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.142 5.668 -5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.179 4.168 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.442 6.924 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.477 5.426 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.109 6.807 -2.870 1.00 0.00 H new ATOM 284 N THR A 18 -2.635 3.892 -10.075 1.00 0.00 N ATOM 285 CA THR A 18 -2.304 3.207 -11.305 1.00 0.00 C ATOM 286 C THR A 18 -1.208 2.178 -11.038 1.00 0.00 C ATOM 287 O THR A 18 -0.406 2.349 -10.121 1.00 0.00 O ATOM 288 CB THR A 18 -1.805 4.219 -12.350 1.00 0.00 C ATOM 289 OG1 THR A 18 -2.448 5.488 -12.146 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.106 3.738 -13.752 1.00 0.00 C ATOM 0 H THR A 18 -1.822 4.185 -9.533 1.00 0.00 H new ATOM 0 HA THR A 18 -3.195 2.706 -11.684 1.00 0.00 H new ATOM 0 HB THR A 18 -0.726 4.322 -12.233 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.125 6.129 -12.813 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.744 4.470 -14.474 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.609 2.783 -13.924 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.182 3.613 -13.871 1.00 0.00 H new ATOM 298 N VAL A 19 -1.173 1.111 -11.813 1.00 0.00 N ATOM 299 CA VAL A 19 -0.144 0.101 -11.637 1.00 0.00 C ATOM 300 C VAL A 19 1.058 0.419 -12.523 1.00 0.00 C ATOM 301 O VAL A 19 0.907 0.930 -13.636 1.00 0.00 O ATOM 302 CB VAL A 19 -0.674 -1.324 -11.935 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.927 -1.527 -13.423 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.285 -2.378 -11.401 1.00 0.00 C ATOM 0 H VAL A 19 -1.837 0.921 -12.563 1.00 0.00 H new ATOM 0 HA VAL A 19 0.164 0.120 -10.592 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.629 -1.435 -11.421 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.298 -2.538 -13.594 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.667 -0.805 -13.768 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.003 -1.384 -13.973 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.107 -3.371 -11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.259 -2.258 -11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.391 -2.261 -10.323 1.00 0.00 H new ATOM 314 N ASP A 20 2.249 0.163 -12.008 1.00 0.00 N ATOM 315 CA ASP A 20 3.470 0.388 -12.766 1.00 0.00 C ATOM 316 C ASP A 20 4.121 -0.942 -13.102 1.00 0.00 C ATOM 317 O ASP A 20 4.434 -1.225 -14.256 1.00 0.00 O ATOM 318 CB ASP A 20 4.444 1.257 -11.965 1.00 0.00 C ATOM 319 CG ASP A 20 5.629 1.721 -12.791 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.621 0.970 -12.912 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.573 2.852 -13.318 1.00 0.00 O ATOM 0 H ASP A 20 2.397 -0.201 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 20 3.217 0.908 -13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.914 2.127 -11.577 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.804 0.693 -11.105 1.00 0.00 H new ATOM 326 N VAL A 21 4.298 -1.764 -12.083 1.00 0.00 N ATOM 327 CA VAL A 21 4.958 -3.046 -12.240 1.00 0.00 C ATOM 328 C VAL A 21 4.129 -4.153 -11.597 1.00 0.00 C ATOM 329 O VAL A 21 3.490 -3.941 -10.569 1.00 0.00 O ATOM 330 CB VAL A 21 6.373 -3.020 -11.608 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.308 -2.636 -10.133 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.074 -4.361 -11.782 1.00 0.00 C ATOM 0 H VAL A 21 3.991 -1.563 -11.131 1.00 0.00 H new ATOM 0 HA VAL A 21 5.055 -3.245 -13.307 1.00 0.00 H new ATOM 0 HB VAL A 21 6.955 -2.261 -12.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.315 -2.626 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.864 -1.646 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.699 -3.362 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.065 -4.315 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.489 -5.143 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.170 -4.586 -12.844 1.00 0.00 H new ATOM 342 N VAL A 22 4.110 -5.325 -12.208 1.00 0.00 N ATOM 343 CA VAL A 22 3.467 -6.467 -11.586 1.00 0.00 C ATOM 344 C VAL A 22 4.479 -7.581 -11.357 1.00 0.00 C ATOM 345 O VAL A 22 5.307 -7.886 -12.219 1.00 0.00 O ATOM 346 CB VAL A 22 2.261 -7.011 -12.397 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.324 -5.887 -12.805 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.709 -7.812 -13.610 1.00 0.00 C ATOM 0 H VAL A 22 4.526 -5.509 -13.121 1.00 0.00 H new ATOM 0 HA VAL A 22 3.073 -6.116 -10.632 1.00 0.00 H new ATOM 0 HB VAL A 22 1.713 -7.690 -11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.488 -6.298 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.947 -5.386 -11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.864 -5.170 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.834 -8.175 -14.150 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.303 -7.176 -14.267 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.311 -8.660 -13.284 1.00 0.00 H new ATOM 358 N THR A 23 4.442 -8.151 -10.173 1.00 0.00 N ATOM 359 CA THR A 23 5.233 -9.319 -9.866 1.00 0.00 C ATOM 360 C THR A 23 4.328 -10.351 -9.220 1.00 0.00 C ATOM 361 O THR A 23 3.278 -10.001 -8.675 1.00 0.00 O ATOM 362 CB THR A 23 6.422 -8.994 -8.931 1.00 0.00 C ATOM 363 OG1 THR A 23 5.954 -8.433 -7.702 1.00 0.00 O ATOM 364 CG2 THR A 23 7.392 -8.024 -9.590 1.00 0.00 C ATOM 0 H THR A 23 3.865 -7.819 -9.400 1.00 0.00 H new ATOM 0 HA THR A 23 5.659 -9.703 -10.793 1.00 0.00 H new ATOM 0 HB THR A 23 6.945 -9.929 -8.728 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.186 -7.851 -7.880 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.217 -7.815 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.782 -8.466 -10.507 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.873 -7.095 -9.827 1.00 0.00 H new ATOM 372 N ASN A 24 4.719 -11.611 -9.270 1.00 0.00 N ATOM 373 CA ASN A 24 3.882 -12.683 -8.741 1.00 0.00 C ATOM 374 C ASN A 24 3.769 -12.601 -7.215 1.00 0.00 C ATOM 375 O ASN A 24 3.050 -13.380 -6.592 1.00 0.00 O ATOM 376 CB ASN A 24 4.429 -14.061 -9.140 1.00 0.00 C ATOM 377 CG ASN A 24 4.353 -14.334 -10.634 1.00 0.00 C ATOM 378 OD1 ASN A 24 4.490 -13.429 -11.459 1.00 0.00 O ATOM 379 ND2 ASN A 24 4.128 -15.588 -10.993 1.00 0.00 N ATOM 0 H ASN A 24 5.605 -11.921 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 24 2.890 -12.556 -9.174 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.467 -14.139 -8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.871 -14.832 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.063 -15.832 -11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.020 -16.311 -10.281 1.00 0.00 H new ATOM 386 N LYS A 25 4.477 -11.646 -6.621 1.00 0.00 N ATOM 387 CA LYS A 25 4.496 -11.487 -5.174 1.00 0.00 C ATOM 388 C LYS A 25 3.977 -10.119 -4.761 1.00 0.00 C ATOM 389 O LYS A 25 3.656 -9.894 -3.595 1.00 0.00 O ATOM 390 CB LYS A 25 5.920 -11.632 -4.645 1.00 0.00 C ATOM 391 CG LYS A 25 6.495 -13.028 -4.760 1.00 0.00 C ATOM 392 CD LYS A 25 7.945 -13.039 -4.314 1.00 0.00 C ATOM 393 CE LYS A 25 8.444 -14.445 -4.058 1.00 0.00 C ATOM 394 NZ LYS A 25 7.686 -15.101 -2.961 1.00 0.00 N ATOM 0 H LYS A 25 5.048 -10.967 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 25 3.852 -12.261 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.567 -10.941 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.937 -11.331 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.914 -13.719 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.422 -13.375 -5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.564 -12.567 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.051 -12.445 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.352 -15.036 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.503 -14.415 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.346 -15.608 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.176 -14.380 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.004 -15.775 -3.365 1.00 0.00 H new ATOM 408 N THR A 26 3.887 -9.211 -5.717 1.00 0.00 N ATOM 409 CA THR A 26 3.661 -7.815 -5.400 1.00 0.00 C ATOM 410 C THR A 26 3.115 -7.030 -6.592 1.00 0.00 C ATOM 411 O THR A 26 3.578 -7.189 -7.722 1.00 0.00 O ATOM 412 CB THR A 26 4.983 -7.178 -4.908 1.00 0.00 C ATOM 413 OG1 THR A 26 5.204 -7.503 -3.532 1.00 0.00 O ATOM 414 CG2 THR A 26 5.001 -5.671 -5.092 1.00 0.00 C ATOM 0 H THR A 26 3.967 -9.415 -6.713 1.00 0.00 H new ATOM 0 HA THR A 26 2.907 -7.771 -4.614 1.00 0.00 H new ATOM 0 HB THR A 26 5.786 -7.591 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.662 -8.282 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.949 -5.272 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.885 -5.432 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.182 -5.226 -4.527 1.00 0.00 H new ATOM 422 N TYR A 27 2.123 -6.195 -6.326 1.00 0.00 N ATOM 423 CA TYR A 27 1.622 -5.262 -7.317 1.00 0.00 C ATOM 424 C TYR A 27 2.226 -3.889 -7.068 1.00 0.00 C ATOM 425 O TYR A 27 1.951 -3.257 -6.048 1.00 0.00 O ATOM 426 CB TYR A 27 0.094 -5.173 -7.269 1.00 0.00 C ATOM 427 CG TYR A 27 -0.607 -6.469 -7.606 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.576 -6.980 -8.896 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.308 -7.175 -6.636 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.220 -8.159 -9.211 1.00 0.00 C ATOM 431 CE2 TYR A 27 -1.955 -8.356 -6.942 1.00 0.00 C ATOM 432 CZ TYR A 27 -1.909 -8.844 -8.230 1.00 0.00 C ATOM 433 OH TYR A 27 -2.549 -10.022 -8.541 1.00 0.00 O ATOM 0 H TYR A 27 1.648 -6.146 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 27 1.909 -5.620 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.210 -4.856 -6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.237 -4.401 -7.964 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.039 -6.446 -9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.347 -6.794 -5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.185 -8.544 -10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.494 -8.894 -6.176 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.986 -10.379 -7.739 1.00 0.00 H new ATOM 443 N GLY A 28 3.070 -3.448 -7.985 1.00 0.00 N ATOM 444 CA GLY A 28 3.707 -2.156 -7.852 1.00 0.00 C ATOM 445 C GLY A 28 2.767 -1.035 -8.227 1.00 0.00 C ATOM 446 O GLY A 28 2.751 -0.579 -9.373 1.00 0.00 O ATOM 0 H GLY A 28 3.327 -3.966 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.046 -2.020 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.592 -2.118 -8.487 1.00 0.00 H new ATOM 450 N TYR A 29 1.977 -0.606 -7.263 1.00 0.00 N ATOM 451 CA TYR A 29 0.973 0.419 -7.479 1.00 0.00 C ATOM 452 C TYR A 29 1.538 1.802 -7.177 1.00 0.00 C ATOM 453 O TYR A 29 2.436 1.946 -6.348 1.00 0.00 O ATOM 454 CB TYR A 29 -0.237 0.124 -6.595 1.00 0.00 C ATOM 455 CG TYR A 29 -1.401 -0.489 -7.344 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.517 -1.868 -7.474 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.379 0.310 -7.922 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.576 -2.434 -8.160 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.442 -0.248 -8.608 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.537 -1.619 -8.723 1.00 0.00 C ATOM 461 OH TYR A 29 -4.594 -2.175 -9.413 1.00 0.00 O ATOM 0 H TYR A 29 2.012 -0.958 -6.306 1.00 0.00 H new ATOM 0 HA TYR A 29 0.667 0.410 -8.525 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.065 -0.551 -5.794 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.566 1.050 -6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.768 -2.508 -7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.308 1.384 -7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.651 -3.507 -8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.195 0.387 -9.052 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.180 -1.462 -9.744 1.00 0.00 H new ATOM 471 N ARG A 30 1.039 2.816 -7.868 1.00 0.00 N ATOM 472 CA ARG A 30 1.502 4.176 -7.648 1.00 0.00 C ATOM 473 C ARG A 30 0.473 5.198 -8.109 1.00 0.00 C ATOM 474 O ARG A 30 -0.418 4.893 -8.896 1.00 0.00 O ATOM 475 CB ARG A 30 2.824 4.425 -8.384 1.00 0.00 C ATOM 476 CG ARG A 30 2.711 4.364 -9.901 1.00 0.00 C ATOM 477 CD ARG A 30 3.981 4.871 -10.565 1.00 0.00 C ATOM 478 NE ARG A 30 3.889 4.872 -12.025 1.00 0.00 N ATOM 479 CZ ARG A 30 3.932 5.977 -12.774 1.00 0.00 C ATOM 480 NH1 ARG A 30 4.050 7.168 -12.200 1.00 0.00 N ATOM 481 NH2 ARG A 30 3.866 5.890 -14.094 1.00 0.00 N ATOM 0 H ARG A 30 0.317 2.723 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 30 1.654 4.293 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.208 5.404 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.556 3.687 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.518 3.338 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.861 4.962 -10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.190 5.883 -10.217 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.821 4.248 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 30 3.786 3.975 -12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.108 7.241 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.083 8.010 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.782 4.977 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.899 6.736 -14.663 1.00 0.00 H new ATOM 495 N ARG A 31 0.599 6.405 -7.594 1.00 0.00 N ATOM 496 CA ARG A 31 -0.153 7.541 -8.101 1.00 0.00 C ATOM 497 C ARG A 31 0.824 8.687 -8.293 1.00 0.00 C ATOM 498 O ARG A 31 1.142 9.407 -7.350 1.00 0.00 O ATOM 499 CB ARG A 31 -1.287 7.939 -7.148 1.00 0.00 C ATOM 500 CG ARG A 31 -2.280 8.917 -7.760 1.00 0.00 C ATOM 501 CD ARG A 31 -3.482 9.139 -6.853 1.00 0.00 C ATOM 502 NE ARG A 31 -3.135 9.886 -5.641 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.021 10.260 -4.715 1.00 0.00 C ATOM 504 NH1 ARG A 31 -5.302 9.937 -4.835 1.00 0.00 N ATOM 505 NH2 ARG A 31 -3.628 10.953 -3.657 1.00 0.00 N ATOM 0 H ARG A 31 1.221 6.628 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.626 7.280 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.820 7.041 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.857 8.384 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.784 9.870 -7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.617 8.538 -8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.253 9.680 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.906 8.175 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.157 10.135 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.619 9.398 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.970 10.228 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.645 11.203 -3.547 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.308 11.237 -2.952 1.00 0.00 H new ATOM 519 N GLY A 32 1.344 8.813 -9.503 1.00 0.00 N ATOM 520 CA GLY A 32 2.457 9.708 -9.732 1.00 0.00 C ATOM 521 C GLY A 32 3.731 9.096 -9.191 1.00 0.00 C ATOM 522 O GLY A 32 4.102 7.991 -9.589 1.00 0.00 O ATOM 0 H GLY A 32 1.016 8.313 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.563 9.905 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.270 10.666 -9.248 1.00 0.00 H new ATOM 526 N GLU A 33 4.391 9.779 -8.268 1.00 0.00 N ATOM 527 CA GLU A 33 5.548 9.198 -7.601 1.00 0.00 C ATOM 528 C GLU A 33 5.165 8.695 -6.210 1.00 0.00 C ATOM 529 O GLU A 33 6.023 8.488 -5.351 1.00 0.00 O ATOM 530 CB GLU A 33 6.706 10.194 -7.511 1.00 0.00 C ATOM 531 CG GLU A 33 6.416 11.435 -6.682 1.00 0.00 C ATOM 532 CD GLU A 33 7.674 12.233 -6.407 1.00 0.00 C ATOM 533 OE1 GLU A 33 8.073 13.042 -7.270 1.00 0.00 O ATOM 534 OE2 GLU A 33 8.279 12.038 -5.333 1.00 0.00 O ATOM 0 H GLU A 33 4.151 10.723 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 33 5.886 8.353 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.572 9.685 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.980 10.504 -8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.695 12.062 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.957 11.142 -5.738 1.00 0.00 H new ATOM 541 N ASN A 34 3.874 8.482 -5.996 1.00 0.00 N ATOM 542 CA ASN A 34 3.397 7.908 -4.744 1.00 0.00 C ATOM 543 C ASN A 34 3.361 6.396 -4.884 1.00 0.00 C ATOM 544 O ASN A 34 2.374 5.834 -5.352 1.00 0.00 O ATOM 545 CB ASN A 34 1.996 8.426 -4.385 1.00 0.00 C ATOM 546 CG ASN A 34 1.932 9.935 -4.196 1.00 0.00 C ATOM 547 OD1 ASN A 34 0.906 10.556 -4.471 1.00 0.00 O ATOM 548 ND2 ASN A 34 3.014 10.533 -3.717 1.00 0.00 N ATOM 0 H ASN A 34 3.140 8.697 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 34 4.076 8.203 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.299 8.137 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.662 7.939 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.014 11.542 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.846 9.984 -3.501 1.00 0.00 H new ATOM 555 N TYR A 35 4.458 5.753 -4.513 1.00 0.00 N ATOM 556 CA TYR A 35 4.626 4.324 -4.745 1.00 0.00 C ATOM 557 C TYR A 35 4.153 3.501 -3.555 1.00 0.00 C ATOM 558 O TYR A 35 4.562 3.744 -2.418 1.00 0.00 O ATOM 559 CB TYR A 35 6.094 3.996 -5.024 1.00 0.00 C ATOM 560 CG TYR A 35 6.687 4.752 -6.191 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.257 4.510 -7.486 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.685 5.699 -5.996 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.801 5.190 -8.558 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.234 6.385 -7.062 1.00 0.00 C ATOM 565 CZ TYR A 35 7.790 6.126 -8.341 1.00 0.00 C ATOM 566 OH TYR A 35 8.329 6.805 -9.409 1.00 0.00 O ATOM 0 H TYR A 35 5.249 6.199 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 35 4.017 4.067 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.679 4.213 -4.130 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.186 2.927 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.483 3.777 -7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.037 5.902 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.454 4.990 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.007 7.120 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 35 9.013 7.429 -9.088 1.00 0.00 H new ATOM 576 N VAL A 36 3.296 2.530 -3.832 1.00 0.00 N ATOM 577 CA VAL A 36 2.859 1.569 -2.831 1.00 0.00 C ATOM 578 C VAL A 36 2.922 0.152 -3.399 1.00 0.00 C ATOM 579 O VAL A 36 2.250 -0.179 -4.377 1.00 0.00 O ATOM 580 CB VAL A 36 1.434 1.869 -2.301 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.433 3.134 -1.464 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.427 1.993 -3.438 1.00 0.00 C ATOM 0 H VAL A 36 2.885 2.386 -4.754 1.00 0.00 H new ATOM 0 HA VAL A 36 3.540 1.655 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 36 1.133 1.028 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.424 3.329 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.107 3.010 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.768 3.974 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.561 2.203 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.725 2.805 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.395 1.059 -3.999 1.00 0.00 H new ATOM 592 N TYR A 37 3.754 -0.677 -2.797 1.00 0.00 N ATOM 593 CA TYR A 37 3.929 -2.046 -3.249 1.00 0.00 C ATOM 594 C TYR A 37 2.942 -2.953 -2.529 1.00 0.00 C ATOM 595 O TYR A 37 3.084 -3.213 -1.333 1.00 0.00 O ATOM 596 CB TYR A 37 5.358 -2.523 -2.982 1.00 0.00 C ATOM 597 CG TYR A 37 6.423 -1.740 -3.718 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.779 -2.071 -5.019 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.078 -0.676 -3.110 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.756 -1.363 -5.694 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.056 0.036 -3.778 1.00 0.00 C ATOM 602 CZ TYR A 37 8.392 -0.311 -5.069 1.00 0.00 C ATOM 603 OH TYR A 37 9.370 0.395 -5.738 1.00 0.00 O ATOM 0 H TYR A 37 4.323 -0.425 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 37 3.744 -2.085 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.554 -2.464 -1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.436 -3.573 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.284 -2.895 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.818 -0.401 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.020 -1.633 -6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.555 0.861 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 37 9.717 1.104 -5.157 1.00 0.00 H new ATOM 613 N VAL A 38 1.929 -3.410 -3.249 1.00 0.00 N ATOM 614 CA VAL A 38 0.918 -4.281 -2.671 1.00 0.00 C ATOM 615 C VAL A 38 1.455 -5.698 -2.536 1.00 0.00 C ATOM 616 O VAL A 38 1.745 -6.361 -3.536 1.00 0.00 O ATOM 617 CB VAL A 38 -0.369 -4.303 -3.523 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.442 -5.162 -2.866 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.877 -2.889 -3.755 1.00 0.00 C ATOM 0 H VAL A 38 1.785 -3.192 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 38 0.673 -3.884 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.131 -4.746 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.339 -5.161 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.076 -6.183 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.680 -4.757 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.785 -2.923 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.095 -2.419 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.116 -2.310 -4.278 1.00 0.00 H new ATOM 629 N ASN A 39 1.602 -6.154 -1.301 1.00 0.00 N ATOM 630 CA ASN A 39 2.094 -7.495 -1.037 1.00 0.00 C ATOM 631 C ASN A 39 1.024 -8.518 -1.391 1.00 0.00 C ATOM 632 O ASN A 39 0.035 -8.678 -0.678 1.00 0.00 O ATOM 633 CB ASN A 39 2.503 -7.646 0.428 1.00 0.00 C ATOM 634 CG ASN A 39 3.216 -8.957 0.717 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.057 -9.533 1.793 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.029 -9.423 -0.226 1.00 0.00 N ATOM 0 H ASN A 39 1.386 -5.612 -0.464 1.00 0.00 H new ATOM 0 HA ASN A 39 2.974 -7.668 -1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.154 -6.817 0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.615 -7.577 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.548 -10.287 -0.070 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.134 -8.916 -1.105 1.00 0.00 H new ATOM 643 N ARG A 40 1.233 -9.199 -2.505 1.00 0.00 N ATOM 644 CA ARG A 40 0.289 -10.186 -3.003 1.00 0.00 C ATOM 645 C ARG A 40 0.384 -11.465 -2.174 1.00 0.00 C ATOM 646 O ARG A 40 -0.463 -12.353 -2.271 1.00 0.00 O ATOM 647 CB ARG A 40 0.592 -10.460 -4.479 1.00 0.00 C ATOM 648 CG ARG A 40 -0.374 -11.406 -5.169 1.00 0.00 C ATOM 649 CD ARG A 40 0.008 -11.591 -6.626 1.00 0.00 C ATOM 650 NE ARG A 40 -0.861 -12.545 -7.311 1.00 0.00 N ATOM 651 CZ ARG A 40 -0.642 -13.002 -8.544 1.00 0.00 C ATOM 652 NH1 ARG A 40 0.420 -12.595 -9.232 1.00 0.00 N ATOM 653 NH2 ARG A 40 -1.489 -13.860 -9.092 1.00 0.00 N ATOM 0 H ARG A 40 2.061 -9.084 -3.089 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.730 -9.808 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.593 -9.511 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.598 -10.872 -4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.372 -12.371 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.388 -11.012 -5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.039 -10.629 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.041 -11.935 -6.688 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.686 -12.882 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.072 -11.930 -8.817 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.583 -12.948 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.309 -14.171 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.322 -14.210 -10.035 1.00 0.00 H new ATOM 667 N GLU A 41 1.411 -11.532 -1.337 1.00 0.00 N ATOM 668 CA GLU A 41 1.648 -12.692 -0.489 1.00 0.00 C ATOM 669 C GLU A 41 0.861 -12.580 0.814 1.00 0.00 C ATOM 670 O GLU A 41 0.956 -13.454 1.678 1.00 0.00 O ATOM 671 CB GLU A 41 3.135 -12.809 -0.152 1.00 0.00 C ATOM 672 CG GLU A 41 4.058 -12.672 -1.348 1.00 0.00 C ATOM 673 CD GLU A 41 5.515 -12.632 -0.936 1.00 0.00 C ATOM 674 OE1 GLU A 41 5.898 -11.700 -0.197 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.275 -13.532 -1.348 1.00 0.00 O ATOM 0 H GLU A 41 2.100 -10.788 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 41 1.320 -13.576 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.391 -12.043 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.314 -13.774 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.896 -13.508 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.810 -11.762 -1.895 1.00 0.00 H new ATOM 682 N ALA A 42 0.089 -11.504 0.953 1.00 0.00 N ATOM 683 CA ALA A 42 -0.612 -11.225 2.199 1.00 0.00 C ATOM 684 C ALA A 42 -1.764 -12.200 2.430 1.00 0.00 C ATOM 685 O ALA A 42 -2.908 -11.926 2.074 1.00 0.00 O ATOM 686 CB ALA A 42 -1.112 -9.789 2.216 1.00 0.00 C ATOM 0 H ALA A 42 -0.065 -10.814 0.218 1.00 0.00 H new ATOM 0 HA ALA A 42 0.097 -11.360 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.634 -9.596 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.266 -9.108 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.796 -9.632 1.382 1.00 0.00 H new ATOM 692 N ARG A 43 -1.443 -13.344 3.022 1.00 0.00 N ATOM 693 CA ARG A 43 -2.440 -14.353 3.359 1.00 0.00 C ATOM 694 C ARG A 43 -3.368 -13.843 4.457 1.00 0.00 C ATOM 695 O ARG A 43 -4.574 -14.084 4.433 1.00 0.00 O ATOM 696 CB ARG A 43 -1.753 -15.637 3.832 1.00 0.00 C ATOM 697 CG ARG A 43 -0.843 -16.288 2.799 1.00 0.00 C ATOM 698 CD ARG A 43 -1.621 -17.103 1.775 1.00 0.00 C ATOM 699 NE ARG A 43 -2.330 -16.271 0.808 1.00 0.00 N ATOM 700 CZ ARG A 43 -3.591 -16.478 0.435 1.00 0.00 C ATOM 701 NH1 ARG A 43 -4.287 -17.479 0.968 1.00 0.00 N ATOM 702 NH2 ARG A 43 -4.150 -15.699 -0.485 1.00 0.00 N ATOM 0 H ARG A 43 -0.490 -13.598 3.281 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.027 -14.563 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.167 -15.412 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.518 -16.355 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.269 -15.516 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.126 -16.934 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.934 -17.762 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.338 -17.740 2.293 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.830 -15.485 0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.854 -18.088 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.253 -17.637 0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.613 -14.941 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.116 -15.859 -0.770 1.00 0.00 H new ATOM 716 N MET A 44 -2.789 -13.143 5.423 1.00 0.00 N ATOM 717 CA MET A 44 -3.550 -12.621 6.556 1.00 0.00 C ATOM 718 C MET A 44 -3.906 -11.154 6.356 1.00 0.00 C ATOM 719 O MET A 44 -4.523 -10.542 7.221 1.00 0.00 O ATOM 720 CB MET A 44 -2.752 -12.767 7.853 1.00 0.00 C ATOM 721 CG MET A 44 -2.543 -14.203 8.300 1.00 0.00 C ATOM 722 SD MET A 44 -1.588 -14.312 9.826 1.00 0.00 S ATOM 723 CE MET A 44 -1.653 -16.074 10.141 1.00 0.00 C ATOM 0 H MET A 44 -1.794 -12.922 5.447 1.00 0.00 H new ATOM 0 HA MET A 44 -4.470 -13.202 6.623 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.779 -12.294 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.266 -12.223 8.645 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.512 -14.681 8.445 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.030 -14.755 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.105 -16.301 11.056 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.691 -16.385 10.254 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.202 -16.610 9.306 1.00 0.00 H new ATOM 733 N GLY A 45 -3.508 -10.590 5.218 1.00 0.00 N ATOM 734 CA GLY A 45 -3.720 -9.169 4.978 1.00 0.00 C ATOM 735 C GLY A 45 -2.963 -8.305 5.970 1.00 0.00 C ATOM 736 O GLY A 45 -3.335 -7.164 6.232 1.00 0.00 O ATOM 0 H GLY A 45 -3.044 -11.088 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.402 -8.921 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.785 -8.946 5.042 1.00 0.00 H new ATOM 740 N ARG A 46 -1.886 -8.861 6.509 1.00 0.00 N ATOM 741 CA ARG A 46 -1.125 -8.221 7.573 1.00 0.00 C ATOM 742 C ARG A 46 -0.043 -7.314 6.998 1.00 0.00 C ATOM 743 O ARG A 46 0.301 -6.295 7.585 1.00 0.00 O ATOM 744 CB ARG A 46 -0.481 -9.304 8.445 1.00 0.00 C ATOM 745 CG ARG A 46 -0.571 -9.063 9.947 1.00 0.00 C ATOM 746 CD ARG A 46 0.182 -7.819 10.389 1.00 0.00 C ATOM 747 NE ARG A 46 0.592 -7.907 11.792 1.00 0.00 N ATOM 748 CZ ARG A 46 0.734 -6.858 12.603 1.00 0.00 C ATOM 749 NH1 ARG A 46 0.361 -5.648 12.210 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.221 -7.027 13.826 1.00 0.00 N ATOM 0 H ARG A 46 -1.516 -9.767 6.221 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.800 -7.609 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.953 -10.260 8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.570 -9.393 8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.619 -8.969 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.173 -9.930 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.062 -7.683 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.449 -6.942 10.248 1.00 0.00 H new ATOM 0 HE ARG A 46 0.782 -8.833 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.038 -5.514 11.281 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.473 -4.851 12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.486 -7.959 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.330 -6.225 14.447 1.00 0.00 H new ATOM 764 N THR A 47 0.492 -7.698 5.848 1.00 0.00 N ATOM 765 CA THR A 47 1.610 -6.986 5.245 1.00 0.00 C ATOM 766 C THR A 47 1.243 -6.451 3.864 1.00 0.00 C ATOM 767 O THR A 47 2.114 -6.200 3.035 1.00 0.00 O ATOM 768 CB THR A 47 2.820 -7.929 5.121 1.00 0.00 C ATOM 769 OG1 THR A 47 2.397 -9.182 4.559 1.00 0.00 O ATOM 770 CG2 THR A 47 3.464 -8.171 6.479 1.00 0.00 C ATOM 0 H THR A 47 0.168 -8.503 5.311 1.00 0.00 H new ATOM 0 HA THR A 47 1.860 -6.142 5.888 1.00 0.00 H new ATOM 0 HB THR A 47 3.557 -7.460 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.658 -9.222 3.615 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.316 -8.840 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.802 -7.222 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.736 -8.624 7.152 1.00 0.00 H new ATOM 778 N ALA A 48 -0.048 -6.237 3.649 1.00 0.00 N ATOM 779 CA ALA A 48 -0.576 -5.948 2.319 1.00 0.00 C ATOM 780 C ALA A 48 -0.049 -4.638 1.726 1.00 0.00 C ATOM 781 O ALA A 48 0.114 -4.531 0.510 1.00 0.00 O ATOM 782 CB ALA A 48 -2.094 -5.927 2.363 1.00 0.00 C ATOM 0 H ALA A 48 -0.755 -6.258 4.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.227 -6.745 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.484 -5.711 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.462 -6.898 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.427 -5.157 3.058 1.00 0.00 H new ATOM 788 N LEU A 49 0.230 -3.652 2.569 1.00 0.00 N ATOM 789 CA LEU A 49 0.596 -2.330 2.073 1.00 0.00 C ATOM 790 C LEU A 49 2.030 -1.979 2.442 1.00 0.00 C ATOM 791 O LEU A 49 2.340 -1.725 3.604 1.00 0.00 O ATOM 792 CB LEU A 49 -0.354 -1.263 2.623 1.00 0.00 C ATOM 793 CG LEU A 49 -0.172 0.136 2.028 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.566 0.144 0.559 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.982 1.159 2.809 1.00 0.00 C ATOM 0 H LEU A 49 0.211 -3.739 3.585 1.00 0.00 H new ATOM 0 HA LEU A 49 0.514 -2.355 0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.380 -1.586 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.221 -1.202 3.703 1.00 0.00 H new ATOM 0 HG LEU A 49 0.881 0.409 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.431 1.146 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.061 -0.559 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.611 -0.149 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.840 2.147 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.038 0.893 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.649 1.171 3.847 1.00 0.00 H new ATOM 807 N ILE A 50 2.899 -1.969 1.451 1.00 0.00 N ATOM 808 CA ILE A 50 4.296 -1.641 1.669 1.00 0.00 C ATOM 809 C ILE A 50 4.651 -0.340 0.960 1.00 0.00 C ATOM 810 O ILE A 50 4.481 -0.216 -0.249 1.00 0.00 O ATOM 811 CB ILE A 50 5.194 -2.793 1.185 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.841 -4.064 1.963 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.665 -2.442 1.353 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.457 -5.321 1.405 1.00 0.00 C ATOM 0 H ILE A 50 2.662 -2.185 0.483 1.00 0.00 H new ATOM 0 HA ILE A 50 4.464 -1.502 2.737 1.00 0.00 H new ATOM 0 HB ILE A 50 5.020 -2.963 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.162 -3.944 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.757 -4.179 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.279 -3.272 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.895 -1.550 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.876 -2.252 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.157 -6.174 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.117 -5.469 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.543 -5.230 1.417 1.00 0.00 H new ATOM 826 N ILE A 51 5.134 0.632 1.720 1.00 0.00 N ATOM 827 CA ILE A 51 5.372 1.964 1.185 1.00 0.00 C ATOM 828 C ILE A 51 6.860 2.227 0.985 1.00 0.00 C ATOM 829 O ILE A 51 7.706 1.418 1.380 1.00 0.00 O ATOM 830 CB ILE A 51 4.797 3.059 2.109 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.573 3.106 3.430 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.314 2.815 2.363 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.197 4.276 4.313 1.00 0.00 C ATOM 0 H ILE A 51 5.368 0.524 2.707 1.00 0.00 H new ATOM 0 HA ILE A 51 4.864 2.003 0.221 1.00 0.00 H new ATOM 0 HB ILE A 51 4.905 4.024 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.400 2.179 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.640 3.154 3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.923 3.595 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.775 2.831 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.181 1.844 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.786 4.244 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.397 5.209 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.137 4.219 4.561 1.00 0.00 H new ATOM 845 N HIS A 52 7.160 3.367 0.373 1.00 0.00 N ATOM 846 CA HIS A 52 8.534 3.819 0.188 1.00 0.00 C ATOM 847 C HIS A 52 9.157 4.164 1.547 1.00 0.00 C ATOM 848 O HIS A 52 8.670 5.049 2.248 1.00 0.00 O ATOM 849 CB HIS A 52 8.556 5.040 -0.744 1.00 0.00 C ATOM 850 CG HIS A 52 9.929 5.521 -1.100 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.685 6.306 -0.265 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.681 5.324 -2.209 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.842 6.566 -0.837 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.871 5.986 -2.024 1.00 0.00 N ATOM 0 H HIS A 52 6.459 4.003 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 52 9.120 3.021 -0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.022 4.792 -1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.011 5.855 -0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.397 4.751 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.637 7.157 -0.407 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.644 6.023 -2.689 1.00 0.00 H new ATOM 863 N PRO A 53 10.254 3.471 1.907 1.00 0.00 N ATOM 864 CA PRO A 53 10.906 3.552 3.230 1.00 0.00 C ATOM 865 C PRO A 53 10.963 4.949 3.855 1.00 0.00 C ATOM 866 O PRO A 53 10.593 5.125 5.014 1.00 0.00 O ATOM 867 CB PRO A 53 12.317 3.069 2.922 1.00 0.00 C ATOM 868 CG PRO A 53 12.132 2.052 1.852 1.00 0.00 C ATOM 869 CD PRO A 53 10.955 2.510 1.030 1.00 0.00 C ATOM 0 HA PRO A 53 10.348 2.975 3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.953 3.888 2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.791 2.637 3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.027 1.969 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.947 1.067 2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.277 2.980 0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.310 1.675 0.758 1.00 0.00 H new ATOM 877 N ARG A 54 11.429 5.934 3.092 1.00 0.00 N ATOM 878 CA ARG A 54 11.680 7.270 3.635 1.00 0.00 C ATOM 879 C ARG A 54 10.407 7.928 4.180 1.00 0.00 C ATOM 880 O ARG A 54 10.488 8.837 4.995 1.00 0.00 O ATOM 881 CB ARG A 54 12.353 8.160 2.573 1.00 0.00 C ATOM 882 CG ARG A 54 11.401 8.889 1.630 1.00 0.00 C ATOM 883 CD ARG A 54 10.991 10.237 2.199 1.00 0.00 C ATOM 884 NE ARG A 54 9.977 10.906 1.388 1.00 0.00 N ATOM 885 CZ ARG A 54 9.083 11.767 1.880 1.00 0.00 C ATOM 886 NH1 ARG A 54 9.094 12.074 3.172 1.00 0.00 N ATOM 887 NH2 ARG A 54 8.192 12.331 1.075 1.00 0.00 N ATOM 0 H ARG A 54 11.641 5.835 2.099 1.00 0.00 H new ATOM 0 HA ARG A 54 12.358 7.157 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.970 8.900 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.024 7.541 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.881 9.031 0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.514 8.278 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.609 10.099 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.870 10.877 2.275 1.00 0.00 H new ATOM 0 HE ARG A 54 9.950 10.704 0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.786 11.652 3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.410 12.732 3.546 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.190 12.107 0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.509 12.989 1.451 1.00 0.00 H new ATOM 901 N LEU A 55 9.238 7.455 3.752 1.00 0.00 N ATOM 902 CA LEU A 55 7.968 8.063 4.156 1.00 0.00 C ATOM 903 C LEU A 55 7.497 7.529 5.504 1.00 0.00 C ATOM 904 O LEU A 55 6.358 7.761 5.918 1.00 0.00 O ATOM 905 CB LEU A 55 6.898 7.816 3.090 1.00 0.00 C ATOM 906 CG LEU A 55 6.494 9.051 2.288 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.483 8.687 1.216 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.927 10.119 3.212 1.00 0.00 C ATOM 0 H LEU A 55 9.142 6.655 3.127 1.00 0.00 H new ATOM 0 HA LEU A 55 8.131 9.136 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.262 7.055 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.011 7.408 3.574 1.00 0.00 H new ATOM 0 HG LEU A 55 7.383 9.449 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.208 9.581 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.920 7.954 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.594 8.264 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.643 10.993 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.050 9.727 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.681 10.403 3.946 1.00 0.00 H new ATOM 920 N LYS A 56 8.389 6.826 6.185 1.00 0.00 N ATOM 921 CA LYS A 56 8.110 6.277 7.504 1.00 0.00 C ATOM 922 C LYS A 56 7.721 7.382 8.483 1.00 0.00 C ATOM 923 O LYS A 56 6.811 7.212 9.292 1.00 0.00 O ATOM 924 CB LYS A 56 9.347 5.536 8.008 1.00 0.00 C ATOM 925 CG LYS A 56 9.186 4.913 9.381 1.00 0.00 C ATOM 926 CD LYS A 56 10.447 4.177 9.790 1.00 0.00 C ATOM 927 CE LYS A 56 11.633 5.119 9.916 1.00 0.00 C ATOM 928 NZ LYS A 56 12.894 4.391 10.212 1.00 0.00 N ATOM 0 H LYS A 56 9.326 6.620 5.839 1.00 0.00 H new ATOM 0 HA LYS A 56 7.271 5.585 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.603 4.753 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.187 6.230 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.959 5.688 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.342 4.223 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.281 3.672 10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.672 3.405 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.748 5.682 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.438 5.843 10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.677 5.071 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.794 3.874 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.095 3.718 9.445 1.00 0.00 H new ATOM 942 N ASP A 57 8.407 8.514 8.375 1.00 0.00 N ATOM 943 CA ASP A 57 8.188 9.662 9.260 1.00 0.00 C ATOM 944 C ASP A 57 6.740 10.152 9.229 1.00 0.00 C ATOM 945 O ASP A 57 6.182 10.526 10.262 1.00 0.00 O ATOM 946 CB ASP A 57 9.130 10.812 8.884 1.00 0.00 C ATOM 947 CG ASP A 57 8.872 11.364 7.494 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.187 10.670 6.510 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.366 12.499 7.382 1.00 0.00 O ATOM 0 H ASP A 57 9.131 8.666 7.673 1.00 0.00 H new ATOM 0 HA ASP A 57 8.402 9.327 10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.022 11.615 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.161 10.463 8.944 1.00 0.00 H new ATOM 954 N ARG A 58 6.135 10.149 8.052 1.00 0.00 N ATOM 955 CA ARG A 58 4.756 10.595 7.906 1.00 0.00 C ATOM 956 C ARG A 58 3.798 9.448 8.213 1.00 0.00 C ATOM 957 O ARG A 58 2.752 9.644 8.835 1.00 0.00 O ATOM 958 CB ARG A 58 4.524 11.132 6.486 1.00 0.00 C ATOM 959 CG ARG A 58 3.114 11.649 6.220 1.00 0.00 C ATOM 960 CD ARG A 58 2.753 12.817 7.125 1.00 0.00 C ATOM 961 NE ARG A 58 1.487 13.449 6.731 1.00 0.00 N ATOM 962 CZ ARG A 58 1.019 14.591 7.254 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.692 15.220 8.212 1.00 0.00 N ATOM 964 NH2 ARG A 58 -0.125 15.108 6.812 1.00 0.00 N ATOM 0 H ARG A 58 6.575 9.843 7.184 1.00 0.00 H new ATOM 0 HA ARG A 58 4.565 11.401 8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.233 11.938 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.746 10.339 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.033 11.959 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.398 10.841 6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.679 12.468 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.552 13.558 7.097 1.00 0.00 H new ATOM 0 HE ARG A 58 0.928 12.989 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.572 14.834 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.329 16.089 8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.647 14.635 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.480 15.977 7.211 1.00 0.00 H new ATOM 978 N SER A 59 4.172 8.252 7.778 1.00 0.00 N ATOM 979 CA SER A 59 3.358 7.062 7.984 1.00 0.00 C ATOM 980 C SER A 59 3.138 6.768 9.466 1.00 0.00 C ATOM 981 O SER A 59 2.045 6.364 9.862 1.00 0.00 O ATOM 982 CB SER A 59 4.010 5.856 7.302 1.00 0.00 C ATOM 983 OG SER A 59 3.345 4.643 7.639 1.00 0.00 O ATOM 0 H SER A 59 5.043 8.080 7.275 1.00 0.00 H new ATOM 0 HA SER A 59 2.382 7.251 7.538 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.991 5.994 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.057 5.792 7.597 1.00 0.00 H new ATOM 0 HG SER A 59 3.820 3.887 7.235 1.00 0.00 H new ATOM 989 N SER A 60 4.174 6.966 10.276 1.00 0.00 N ATOM 990 CA SER A 60 4.132 6.615 11.693 1.00 0.00 C ATOM 991 C SER A 60 3.034 7.368 12.451 1.00 0.00 C ATOM 992 O SER A 60 2.557 6.904 13.486 1.00 0.00 O ATOM 993 CB SER A 60 5.498 6.877 12.328 1.00 0.00 C ATOM 994 OG SER A 60 6.007 8.138 11.931 1.00 0.00 O ATOM 0 H SER A 60 5.060 7.371 9.973 1.00 0.00 H new ATOM 0 HA SER A 60 3.891 5.554 11.764 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.412 6.841 13.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.195 6.091 12.037 1.00 0.00 H new ATOM 0 HG SER A 60 6.485 8.045 11.081 1.00 0.00 H new ATOM 1000 N SER A 61 2.622 8.519 11.932 1.00 0.00 N ATOM 1001 CA SER A 61 1.595 9.319 12.588 1.00 0.00 C ATOM 1002 C SER A 61 0.200 8.942 12.087 1.00 0.00 C ATOM 1003 O SER A 61 -0.800 9.533 12.501 1.00 0.00 O ATOM 1004 CB SER A 61 1.854 10.813 12.358 1.00 0.00 C ATOM 1005 OG SER A 61 0.912 11.609 13.056 1.00 0.00 O ATOM 0 H SER A 61 2.981 8.917 11.064 1.00 0.00 H new ATOM 0 HA SER A 61 1.640 9.113 13.657 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.862 11.065 12.687 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.802 11.034 11.292 1.00 0.00 H new ATOM 0 HG SER A 61 0.036 11.171 13.037 1.00 0.00 H new ATOM 1011 N LEU A 62 0.136 7.957 11.204 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.132 7.518 10.640 1.00 0.00 C ATOM 1013 C LEU A 62 -1.357 6.037 10.917 1.00 0.00 C ATOM 1014 O LEU A 62 -2.377 5.644 11.483 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.159 7.779 9.131 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.030 9.249 8.723 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.928 9.376 7.214 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.213 10.050 9.241 1.00 0.00 C ATOM 0 H LEU A 62 0.949 7.445 10.862 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.934 8.086 11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.349 7.217 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.092 7.387 8.727 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.118 9.649 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.837 10.428 6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.051 8.833 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.823 8.958 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.105 11.093 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.136 9.647 8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.247 9.986 10.329 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.386 5.222 10.530 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.479 3.784 10.698 1.00 0.00 C ATOM 1032 C ALA A 63 0.890 3.192 11.001 1.00 0.00 C ATOM 1033 O ALA A 63 1.845 3.401 10.247 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.069 3.138 9.453 1.00 0.00 C ATOM 0 H ALA A 63 0.480 5.538 10.095 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.139 3.580 11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.131 2.059 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.067 3.538 9.274 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.432 3.353 8.595 1.00 0.00 H new ATOM 1040 N ASP A 64 0.977 2.461 12.103 1.00 0.00 N ATOM 1041 CA ASP A 64 2.227 1.833 12.516 1.00 0.00 C ATOM 1042 C ASP A 64 2.595 0.711 11.554 1.00 0.00 C ATOM 1043 O ASP A 64 1.720 0.129 10.906 1.00 0.00 O ATOM 1044 CB ASP A 64 2.114 1.265 13.938 1.00 0.00 C ATOM 1045 CG ASP A 64 1.824 2.323 14.984 1.00 0.00 C ATOM 1046 OD1 ASP A 64 2.712 3.155 15.268 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.705 2.317 15.542 1.00 0.00 O ATOM 0 H ASP A 64 0.193 2.287 12.731 1.00 0.00 H new ATOM 0 HA ASP A 64 3.005 2.596 12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.323 0.515 13.961 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.043 0.756 14.194 1.00 0.00 H new ATOM 1052 N PRO A 65 3.892 0.400 11.425 1.00 0.00 N ATOM 1053 CA PRO A 65 4.354 -0.717 10.601 1.00 0.00 C ATOM 1054 C PRO A 65 3.842 -2.056 11.127 1.00 0.00 C ATOM 1055 O PRO A 65 3.710 -2.250 12.336 1.00 0.00 O ATOM 1056 CB PRO A 65 5.884 -0.646 10.704 1.00 0.00 C ATOM 1057 CG PRO A 65 6.180 0.727 11.203 1.00 0.00 C ATOM 1058 CD PRO A 65 5.010 1.115 12.059 1.00 0.00 C ATOM 0 HA PRO A 65 3.991 -0.646 9.576 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.268 -1.404 11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.352 -0.822 9.736 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.106 0.743 11.777 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.307 1.425 10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.149 0.810 13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.851 2.193 12.062 1.00 0.00 H new ATOM 1066 N ALA A 66 3.540 -2.971 10.214 1.00 0.00 N ATOM 1067 CA ALA A 66 3.054 -4.294 10.590 1.00 0.00 C ATOM 1068 C ALA A 66 4.159 -5.095 11.261 1.00 0.00 C ATOM 1069 O ALA A 66 3.925 -5.826 12.222 1.00 0.00 O ATOM 1070 CB ALA A 66 2.532 -5.030 9.368 1.00 0.00 C ATOM 0 H ALA A 66 3.623 -2.822 9.208 1.00 0.00 H new ATOM 0 HA ALA A 66 2.235 -4.175 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.173 -6.016 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.714 -4.463 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.335 -5.140 8.639 1.00 0.00 H new ATOM 1076 N SER A 67 5.363 -4.937 10.745 1.00 0.00 N ATOM 1077 CA SER A 67 6.525 -5.611 11.281 1.00 0.00 C ATOM 1078 C SER A 67 7.618 -4.605 11.568 1.00 0.00 C ATOM 1079 O SER A 67 7.640 -3.943 12.608 1.00 0.00 O ATOM 1080 CB SER A 67 6.985 -6.707 10.305 1.00 0.00 C ATOM 1081 OG SER A 67 8.149 -7.364 10.765 1.00 0.00 O ATOM 0 H SER A 67 5.561 -4.338 9.943 1.00 0.00 H new ATOM 0 HA SER A 67 6.273 -6.095 12.225 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.185 -7.435 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.179 -6.265 9.328 1.00 0.00 H new ATOM 0 HG SER A 67 8.411 -8.055 10.121 1.00 0.00 H new ATOM 1087 N ASP A 68 8.484 -4.493 10.623 1.00 0.00 N ATOM 1088 CA ASP A 68 9.570 -3.521 10.646 1.00 0.00 C ATOM 1089 C ASP A 68 10.061 -3.285 9.235 1.00 0.00 C ATOM 1090 O ASP A 68 9.945 -2.186 8.692 1.00 0.00 O ATOM 1091 CB ASP A 68 10.728 -4.032 11.507 1.00 0.00 C ATOM 1092 CG ASP A 68 11.852 -3.025 11.627 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.593 -1.889 12.077 1.00 0.00 O ATOM 1094 OD2 ASP A 68 13.001 -3.371 11.292 1.00 0.00 O ATOM 0 H ASP A 68 8.475 -5.077 9.787 1.00 0.00 H new ATOM 0 HA ASP A 68 9.199 -2.589 11.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.356 -4.276 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.116 -4.955 11.077 1.00 0.00 H new ATOM 1099 N ILE A 69 10.586 -4.341 8.645 1.00 0.00 N ATOM 1100 CA ILE A 69 11.062 -4.315 7.275 1.00 0.00 C ATOM 1101 C ILE A 69 10.806 -5.657 6.609 1.00 0.00 C ATOM 1102 O ILE A 69 10.725 -6.686 7.278 1.00 0.00 O ATOM 1103 CB ILE A 69 12.569 -4.002 7.192 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.318 -4.706 8.323 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.813 -2.500 7.233 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.820 -4.726 8.139 1.00 0.00 C ATOM 0 H ILE A 69 10.695 -5.245 9.104 1.00 0.00 H new ATOM 0 HA ILE A 69 10.516 -3.523 6.762 1.00 0.00 H new ATOM 0 HB ILE A 69 12.948 -4.376 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.083 -4.211 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.957 -5.731 8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.883 -2.304 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.309 -2.026 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.421 -2.093 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.283 -5.242 8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.066 -5.247 7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.194 -3.703 8.090 1.00 0.00 H new ATOM 1118 N LYS A 70 10.668 -5.636 5.302 1.00 0.00 N ATOM 1119 CA LYS A 70 10.490 -6.856 4.527 1.00 0.00 C ATOM 1120 C LYS A 70 11.553 -6.927 3.442 1.00 0.00 C ATOM 1121 O LYS A 70 11.545 -6.134 2.501 1.00 0.00 O ATOM 1122 CB LYS A 70 9.084 -6.909 3.914 1.00 0.00 C ATOM 1123 CG LYS A 70 8.833 -8.126 3.028 1.00 0.00 C ATOM 1124 CD LYS A 70 7.396 -8.150 2.519 1.00 0.00 C ATOM 1125 CE LYS A 70 7.192 -9.163 1.399 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.284 -10.571 1.864 1.00 0.00 N ATOM 0 H LYS A 70 10.675 -4.782 4.744 1.00 0.00 H new ATOM 0 HA LYS A 70 10.598 -7.716 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.349 -6.902 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.922 -6.006 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.521 -8.112 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.038 -9.037 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.725 -8.386 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.124 -7.157 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.215 -9.000 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.938 -8.993 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.652 -11.167 1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.263 -10.907 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.002 -10.626 2.863 1.00 0.00 H new ATOM 1140 N THR A 71 12.482 -7.860 3.599 1.00 0.00 N ATOM 1141 CA THR A 71 13.577 -8.008 2.659 1.00 0.00 C ATOM 1142 C THR A 71 13.134 -8.780 1.419 1.00 0.00 C ATOM 1143 O THR A 71 12.632 -9.905 1.514 1.00 0.00 O ATOM 1144 CB THR A 71 14.779 -8.703 3.319 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.331 -9.828 4.088 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.533 -7.735 4.219 1.00 0.00 C ATOM 0 H THR A 71 12.496 -8.526 4.372 1.00 0.00 H new ATOM 0 HA THR A 71 13.884 -7.009 2.350 1.00 0.00 H new ATOM 0 HB THR A 71 15.453 -9.045 2.533 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.614 -10.290 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.380 -8.247 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.894 -6.894 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.866 -7.369 5.000 1.00 0.00 H new ATOM 1154 N CYS A 72 13.340 -8.166 0.264 1.00 0.00 N ATOM 1155 CA CYS A 72 12.853 -8.681 -1.006 1.00 0.00 C ATOM 1156 C CYS A 72 13.208 -7.697 -2.118 1.00 0.00 C ATOM 1157 O CYS A 72 12.916 -6.504 -2.016 1.00 0.00 O ATOM 1158 CB CYS A 72 11.332 -8.882 -0.946 1.00 0.00 C ATOM 1159 SG CYS A 72 10.603 -9.589 -2.439 1.00 0.00 S ATOM 0 H CYS A 72 13.854 -7.289 0.181 1.00 0.00 H new ATOM 0 HA CYS A 72 13.322 -9.643 -1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.098 -9.531 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.860 -7.920 -0.749 1.00 0.00 H new ATOM 0 HG CYS A 72 9.319 -9.716 -2.277 1.00 0.00 H new ATOM 1165 N ASP A 73 13.815 -8.196 -3.190 1.00 0.00 N ATOM 1166 CA ASP A 73 14.326 -7.336 -4.260 1.00 0.00 C ATOM 1167 C ASP A 73 13.204 -6.691 -5.059 1.00 0.00 C ATOM 1168 O ASP A 73 13.452 -5.853 -5.925 1.00 0.00 O ATOM 1169 CB ASP A 73 15.245 -8.119 -5.200 1.00 0.00 C ATOM 1170 CG ASP A 73 16.614 -8.354 -4.604 1.00 0.00 C ATOM 1171 OD1 ASP A 73 17.055 -7.522 -3.786 1.00 0.00 O ATOM 1172 OD2 ASP A 73 17.260 -9.361 -4.953 1.00 0.00 O ATOM 0 H ASP A 73 13.967 -9.193 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 73 14.898 -6.542 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.785 -9.079 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.349 -7.575 -6.139 1.00 0.00 H new ATOM 1177 N HIS A 74 11.971 -7.078 -4.764 1.00 0.00 N ATOM 1178 CA HIS A 74 10.809 -6.482 -5.414 1.00 0.00 C ATOM 1179 C HIS A 74 10.640 -5.039 -4.956 1.00 0.00 C ATOM 1180 O HIS A 74 10.097 -4.203 -5.678 1.00 0.00 O ATOM 1181 CB HIS A 74 9.538 -7.283 -5.103 1.00 0.00 C ATOM 1182 CG HIS A 74 9.525 -8.665 -5.688 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.451 -9.174 -6.387 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.445 -9.659 -5.645 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.714 -10.419 -6.744 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.914 -10.733 -6.307 1.00 0.00 N ATOM 0 H HIS A 74 11.748 -7.801 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 74 10.971 -6.501 -6.492 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.424 -7.357 -4.022 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.675 -6.733 -5.478 1.00 0.00 H new ATOM 0 HD1 HIS A 74 7.590 -8.669 -6.596 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.417 -9.612 -5.176 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.055 -11.069 -7.301 1.00 0.00 H new ATOM 1195 N TYR A 75 11.125 -4.752 -3.756 1.00 0.00 N ATOM 1196 CA TYR A 75 11.016 -3.420 -3.181 1.00 0.00 C ATOM 1197 C TYR A 75 12.373 -2.734 -3.213 1.00 0.00 C ATOM 1198 O TYR A 75 12.997 -2.506 -2.176 1.00 0.00 O ATOM 1199 CB TYR A 75 10.498 -3.501 -1.742 1.00 0.00 C ATOM 1200 CG TYR A 75 9.416 -4.541 -1.562 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.188 -4.407 -2.190 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.637 -5.671 -0.784 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.207 -5.367 -2.048 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.662 -6.637 -0.641 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.450 -6.480 -1.273 1.00 0.00 C ATOM 1206 OH TYR A 75 6.479 -7.443 -1.140 1.00 0.00 O ATOM 0 H TYR A 75 11.600 -5.429 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 75 10.308 -2.837 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.329 -3.730 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.110 -2.526 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.996 -3.537 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.586 -5.795 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.254 -5.247 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.849 -7.512 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 75 6.049 -7.596 -2.007 1.00 0.00 H new ATOM 1216 N GLN A 76 12.844 -2.437 -4.413 1.00 0.00 N ATOM 1217 CA GLN A 76 14.152 -1.841 -4.581 1.00 0.00 C ATOM 1218 C GLN A 76 14.188 -0.416 -4.063 1.00 0.00 C ATOM 1219 O GLN A 76 15.058 -0.075 -3.259 1.00 0.00 O ATOM 1220 CB GLN A 76 14.579 -1.888 -6.047 1.00 0.00 C ATOM 1221 CG GLN A 76 13.550 -1.329 -7.018 1.00 0.00 C ATOM 1222 CD GLN A 76 14.058 -1.285 -8.445 1.00 0.00 C ATOM 1223 OE1 GLN A 76 14.641 -0.290 -8.878 1.00 0.00 O ATOM 1224 NE2 GLN A 76 13.852 -2.366 -9.180 1.00 0.00 N ATOM 0 H GLN A 76 12.337 -2.600 -5.283 1.00 0.00 H new ATOM 0 HA GLN A 76 14.858 -2.425 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.509 -1.330 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.793 -2.922 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.648 -1.939 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.270 -0.323 -6.705 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.364 -3.168 -8.781 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.181 -2.397 -10.145 1.00 0.00 H new ATOM 1233 N ASN A 77 13.221 0.391 -4.497 1.00 0.00 N ATOM 1234 CA ASN A 77 13.219 1.818 -4.211 1.00 0.00 C ATOM 1235 C ASN A 77 14.543 2.429 -4.661 1.00 0.00 C ATOM 1236 O ASN A 77 14.777 2.593 -5.857 1.00 0.00 O ATOM 1237 CB ASN A 77 12.976 2.092 -2.717 1.00 0.00 C ATOM 1238 CG ASN A 77 11.624 1.596 -2.234 1.00 0.00 C ATOM 1239 OD1 ASN A 77 10.629 2.316 -2.291 1.00 0.00 O ATOM 1240 ND2 ASN A 77 11.583 0.368 -1.735 1.00 0.00 N ATOM 0 H ASN A 77 12.425 0.074 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 77 12.401 2.281 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.762 1.613 -2.133 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.050 3.164 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.704 -0.010 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.430 -0.199 -1.705 1.00 0.00 H new ATOM 1247 N PHE A 78 15.421 2.688 -3.698 1.00 0.00 N ATOM 1248 CA PHE A 78 16.748 3.248 -3.960 1.00 0.00 C ATOM 1249 C PHE A 78 17.707 2.902 -2.814 1.00 0.00 C ATOM 1250 O PHE A 78 18.780 2.358 -3.062 1.00 0.00 O ATOM 1251 CB PHE A 78 16.709 4.777 -4.170 1.00 0.00 C ATOM 1252 CG PHE A 78 16.058 5.214 -5.454 1.00 0.00 C ATOM 1253 CD1 PHE A 78 16.723 5.081 -6.662 1.00 0.00 C ATOM 1254 CD2 PHE A 78 14.781 5.753 -5.453 1.00 0.00 C ATOM 1255 CE1 PHE A 78 16.127 5.478 -7.845 1.00 0.00 C ATOM 1256 CE2 PHE A 78 14.181 6.151 -6.633 1.00 0.00 C ATOM 1257 CZ PHE A 78 14.855 6.012 -7.830 1.00 0.00 C ATOM 0 H PHE A 78 15.235 2.516 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 78 17.107 2.800 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 78 16.177 5.232 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 78 17.729 5.161 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.718 4.662 -6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.249 5.863 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 78 16.657 5.370 -8.780 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.186 6.570 -6.619 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.387 6.321 -8.753 1.00 0.00 H new ATOM 1267 N PRO A 79 17.335 3.231 -1.547 1.00 0.00 N ATOM 1268 CA PRO A 79 18.112 2.903 -0.348 1.00 0.00 C ATOM 1269 C PRO A 79 18.860 1.571 -0.413 1.00 0.00 C ATOM 1270 O PRO A 79 20.092 1.558 -0.436 1.00 0.00 O ATOM 1271 CB PRO A 79 17.050 2.855 0.760 1.00 0.00 C ATOM 1272 CG PRO A 79 15.807 3.482 0.190 1.00 0.00 C ATOM 1273 CD PRO A 79 16.156 4.015 -1.168 1.00 0.00 C ATOM 0 HA PRO A 79 18.904 3.637 -0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.859 1.827 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.387 3.397 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.004 2.748 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.450 4.283 0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 79 15.338 3.879 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 79 16.376 5.082 -1.137 1.00 0.00 H new ATOM 1281 N LEU A 80 18.107 0.467 -0.441 1.00 0.00 N ATOM 1282 CA LEU A 80 18.680 -0.889 -0.411 1.00 0.00 C ATOM 1283 C LEU A 80 19.314 -1.156 0.962 1.00 0.00 C ATOM 1284 O LEU A 80 20.194 -0.425 1.412 1.00 0.00 O ATOM 1285 CB LEU A 80 19.716 -1.061 -1.547 1.00 0.00 C ATOM 1286 CG LEU A 80 19.940 -2.488 -2.075 1.00 0.00 C ATOM 1287 CD1 LEU A 80 21.115 -2.522 -3.036 1.00 0.00 C ATOM 1288 CD2 LEU A 80 20.170 -3.472 -0.951 1.00 0.00 C ATOM 0 H LEU A 80 17.088 0.484 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 80 17.885 -1.618 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.409 -0.434 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 20.673 -0.676 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 80 19.033 -2.784 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.259 -3.540 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.915 -1.861 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 22.016 -2.190 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.324 -4.468 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.051 -3.175 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.301 -3.483 -0.293 1.00 0.00 H new ATOM 1300 N TYR A 81 18.855 -2.204 1.629 1.00 0.00 N ATOM 1301 CA TYR A 81 19.374 -2.562 2.942 1.00 0.00 C ATOM 1302 C TYR A 81 20.777 -3.140 2.804 1.00 0.00 C ATOM 1303 O TYR A 81 20.963 -4.212 2.223 1.00 0.00 O ATOM 1304 CB TYR A 81 18.438 -3.577 3.616 1.00 0.00 C ATOM 1305 CG TYR A 81 18.753 -3.869 5.068 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.329 -3.009 6.071 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.455 -5.011 5.436 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.597 -3.274 7.399 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.724 -5.284 6.765 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.293 -4.412 7.742 1.00 0.00 C ATOM 1311 OH TYR A 81 19.558 -4.681 9.069 1.00 0.00 O ATOM 0 H TYR A 81 18.122 -2.823 1.282 1.00 0.00 H new ATOM 0 HA TYR A 81 19.424 -1.669 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.415 -3.206 3.549 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.476 -4.511 3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.780 -2.117 5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.795 -5.695 4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.262 -2.592 8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.269 -6.176 7.036 1.00 0.00 H new ATOM 0 HH TYR A 81 20.056 -5.522 9.139 1.00 0.00 H new ATOM 1321 N LEU A 82 21.759 -2.410 3.313 1.00 0.00 N ATOM 1322 CA LEU A 82 23.147 -2.850 3.271 1.00 0.00 C ATOM 1323 C LEU A 82 23.334 -4.084 4.143 1.00 0.00 C ATOM 1324 O LEU A 82 23.620 -5.169 3.640 1.00 0.00 O ATOM 1325 CB LEU A 82 24.082 -1.725 3.735 1.00 0.00 C ATOM 1326 CG LEU A 82 24.550 -0.738 2.654 1.00 0.00 C ATOM 1327 CD1 LEU A 82 25.583 -1.387 1.751 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.379 -0.230 1.825 1.00 0.00 C ATOM 0 H LEU A 82 21.619 -1.505 3.762 1.00 0.00 H new ATOM 0 HA LEU A 82 23.398 -3.106 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.575 -1.160 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.963 -2.178 4.189 1.00 0.00 H new ATOM 0 HG LEU A 82 25.005 0.114 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.903 -0.673 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.444 -1.695 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.146 -2.260 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.743 0.466 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.887 -1.071 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.667 0.279 2.475 1.00 0.00 H new ATOM 1340 N GLY A 83 23.146 -3.912 5.447 1.00 0.00 N ATOM 1341 CA GLY A 83 23.274 -5.019 6.377 1.00 0.00 C ATOM 1342 C GLY A 83 24.707 -5.485 6.530 1.00 0.00 C ATOM 1343 O GLY A 83 25.409 -5.071 7.454 1.00 0.00 O ATOM 0 H GLY A 83 22.906 -3.020 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.887 -4.718 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.659 -5.851 6.033 1.00 0.00 H new ATOM 1347 N GLY A 84 25.141 -6.343 5.619 1.00 0.00 N ATOM 1348 CA GLY A 84 26.494 -6.858 5.653 1.00 0.00 C ATOM 1349 C GLY A 84 27.160 -6.754 4.299 1.00 0.00 C ATOM 1350 O GLY A 84 27.185 -5.680 3.695 1.00 0.00 O ATOM 0 H GLY A 84 24.573 -6.695 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 84 27.077 -6.305 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 84 26.480 -7.900 5.974 1.00 0.00 H new ATOM 1354 N GLU A 85 27.699 -7.864 3.814 1.00 0.00 N ATOM 1355 CA GLU A 85 28.317 -7.890 2.498 1.00 0.00 C ATOM 1356 C GLU A 85 27.240 -8.058 1.437 1.00 0.00 C ATOM 1357 O GLU A 85 27.162 -7.290 0.478 1.00 0.00 O ATOM 1358 CB GLU A 85 29.331 -9.025 2.406 1.00 0.00 C ATOM 1359 CG GLU A 85 30.276 -8.888 1.227 1.00 0.00 C ATOM 1360 CD GLU A 85 31.390 -9.910 1.248 1.00 0.00 C ATOM 1361 OE1 GLU A 85 32.087 -10.015 2.280 1.00 0.00 O ATOM 1362 OE2 GLU A 85 31.599 -10.592 0.224 1.00 0.00 O ATOM 0 H GLU A 85 27.720 -8.755 4.311 1.00 0.00 H new ATOM 0 HA GLU A 85 28.843 -6.950 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 85 29.912 -9.060 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 85 28.799 -9.973 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 85 29.711 -8.992 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 85 30.707 -7.887 1.227 1.00 0.00 H new ATOM 1369 N THR A 86 26.406 -9.065 1.625 1.00 0.00 N ATOM 1370 CA THR A 86 25.256 -9.279 0.767 1.00 0.00 C ATOM 1371 C THR A 86 24.136 -8.306 1.137 1.00 0.00 C ATOM 1372 O THR A 86 23.899 -8.046 2.318 1.00 0.00 O ATOM 1373 CB THR A 86 24.767 -10.734 0.880 1.00 0.00 C ATOM 1374 OG1 THR A 86 24.931 -11.196 2.231 1.00 0.00 O ATOM 1375 CG2 THR A 86 25.536 -11.642 -0.067 1.00 0.00 C ATOM 0 H THR A 86 26.506 -9.753 2.372 1.00 0.00 H new ATOM 0 HA THR A 86 25.549 -9.095 -0.267 1.00 0.00 H new ATOM 0 HB THR A 86 23.713 -10.764 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 86 24.617 -12.122 2.300 1.00 0.00 H new ATOM 0 HG21 THR A 86 25.171 -12.664 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 86 25.392 -11.304 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.597 -11.610 0.180 1.00 0.00 H new ATOM 1383 N HIS A 87 23.463 -7.752 0.135 1.00 0.00 N ATOM 1384 CA HIS A 87 22.467 -6.709 0.378 1.00 0.00 C ATOM 1385 C HIS A 87 21.069 -7.199 0.019 1.00 0.00 C ATOM 1386 O HIS A 87 20.915 -8.169 -0.725 1.00 0.00 O ATOM 1387 CB HIS A 87 22.796 -5.437 -0.418 1.00 0.00 C ATOM 1388 CG HIS A 87 24.195 -4.937 -0.231 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.916 -4.326 -1.234 1.00 0.00 N ATOM 1390 CD2 HIS A 87 25.003 -4.948 0.855 1.00 0.00 C ATOM 1391 CE1 HIS A 87 26.105 -3.988 -0.773 1.00 0.00 C ATOM 1392 NE2 HIS A 87 26.180 -4.353 0.489 1.00 0.00 N ATOM 0 H HIS A 87 23.585 -8.003 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 87 22.492 -6.470 1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 87 22.631 -5.633 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.100 -4.650 -0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 87 24.764 -5.351 1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.884 -3.496 -1.336 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.987 -4.215 1.098 1.00 0.00 H new ATOM 1401 N GLU A 88 20.051 -6.527 0.548 1.00 0.00 N ATOM 1402 CA GLU A 88 18.664 -6.887 0.279 1.00 0.00 C ATOM 1403 C GLU A 88 17.831 -5.636 0.094 1.00 0.00 C ATOM 1404 O GLU A 88 17.900 -4.714 0.901 1.00 0.00 O ATOM 1405 CB GLU A 88 18.055 -7.701 1.427 1.00 0.00 C ATOM 1406 CG GLU A 88 18.633 -9.095 1.604 1.00 0.00 C ATOM 1407 CD GLU A 88 18.329 -10.031 0.449 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.757 -9.588 -0.568 1.00 0.00 O ATOM 1409 OE2 GLU A 88 18.654 -11.232 0.564 1.00 0.00 O ATOM 0 H GLU A 88 20.163 -5.726 1.169 1.00 0.00 H new ATOM 0 HA GLU A 88 18.659 -7.493 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.190 -7.147 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.981 -7.788 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.714 -9.018 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.240 -9.528 2.524 1.00 0.00 H new ATOM 1416 N HIS A 89 17.050 -5.586 -0.963 1.00 0.00 N ATOM 1417 CA HIS A 89 16.098 -4.506 -1.119 1.00 0.00 C ATOM 1418 C HIS A 89 14.974 -4.716 -0.113 1.00 0.00 C ATOM 1419 O HIS A 89 14.655 -5.854 0.222 1.00 0.00 O ATOM 1420 CB HIS A 89 15.578 -4.458 -2.555 1.00 0.00 C ATOM 1421 CG HIS A 89 16.638 -4.091 -3.552 1.00 0.00 C ATOM 1422 ND1 HIS A 89 17.332 -5.016 -4.297 1.00 0.00 N ATOM 1423 CD2 HIS A 89 17.111 -2.882 -3.932 1.00 0.00 C ATOM 1424 CE1 HIS A 89 18.181 -4.394 -5.093 1.00 0.00 C ATOM 1425 NE2 HIS A 89 18.067 -3.098 -4.891 1.00 0.00 N ATOM 0 H HIS A 89 17.053 -6.271 -1.719 1.00 0.00 H new ATOM 0 HA HIS A 89 16.573 -3.544 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.162 -5.431 -2.817 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.764 -3.736 -2.617 1.00 0.00 H new ATOM 0 HD1 HIS A 89 17.209 -6.027 -4.243 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.794 -1.923 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.855 -4.868 -5.792 1.00 0.00 H new ATOM 1434 N TYR A 90 14.401 -3.641 0.407 1.00 0.00 N ATOM 1435 CA TYR A 90 13.453 -3.774 1.506 1.00 0.00 C ATOM 1436 C TYR A 90 12.320 -2.763 1.401 1.00 0.00 C ATOM 1437 O TYR A 90 12.453 -1.719 0.756 1.00 0.00 O ATOM 1438 CB TYR A 90 14.171 -3.599 2.851 1.00 0.00 C ATOM 1439 CG TYR A 90 14.572 -2.168 3.156 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.702 -1.598 2.584 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.810 -1.385 4.016 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.062 -0.293 2.862 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.162 -0.080 4.296 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.288 0.461 3.716 1.00 0.00 C ATOM 1445 OH TYR A 90 15.642 1.762 3.993 1.00 0.00 O ATOM 0 H TYR A 90 14.570 -2.685 0.095 1.00 0.00 H new ATOM 0 HA TYR A 90 13.023 -4.774 1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.521 -3.961 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.063 -4.225 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.310 -2.184 1.911 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.927 -1.806 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.946 0.134 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.558 0.514 4.966 1.00 0.00 H new ATOM 0 HH TYR A 90 14.991 2.154 4.612 1.00 0.00 H new ATOM 1455 N GLY A 91 11.213 -3.087 2.050 1.00 0.00 N ATOM 1456 CA GLY A 91 10.099 -2.169 2.152 1.00 0.00 C ATOM 1457 C GLY A 91 9.479 -2.223 3.534 1.00 0.00 C ATOM 1458 O GLY A 91 9.757 -3.150 4.298 1.00 0.00 O ATOM 0 H GLY A 91 11.066 -3.983 2.514 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.438 -1.155 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.348 -2.417 1.402 1.00 0.00 H new ATOM 1462 N ILE A 92 8.647 -1.243 3.865 1.00 0.00 N ATOM 1463 CA ILE A 92 8.017 -1.201 5.179 1.00 0.00 C ATOM 1464 C ILE A 92 6.564 -1.670 5.103 1.00 0.00 C ATOM 1465 O ILE A 92 5.710 -0.999 4.512 1.00 0.00 O ATOM 1466 CB ILE A 92 8.079 0.217 5.791 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.534 0.691 5.867 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.438 0.231 7.174 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.699 2.070 6.467 1.00 0.00 C ATOM 0 H ILE A 92 8.394 -0.472 3.247 1.00 0.00 H new ATOM 0 HA ILE A 92 8.574 -1.879 5.826 1.00 0.00 H new ATOM 0 HB ILE A 92 7.521 0.900 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.108 -0.023 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.959 0.689 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.491 1.237 7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.395 -0.074 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.969 -0.460 7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.756 2.334 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.154 2.797 5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.305 2.074 7.483 1.00 0.00 H new ATOM 1481 N PRO A 93 6.272 -2.836 5.703 1.00 0.00 N ATOM 1482 CA PRO A 93 4.940 -3.454 5.655 1.00 0.00 C ATOM 1483 C PRO A 93 3.916 -2.764 6.560 1.00 0.00 C ATOM 1484 O PRO A 93 4.252 -2.237 7.622 1.00 0.00 O ATOM 1485 CB PRO A 93 5.202 -4.880 6.141 1.00 0.00 C ATOM 1486 CG PRO A 93 6.393 -4.768 7.029 1.00 0.00 C ATOM 1487 CD PRO A 93 7.232 -3.652 6.470 1.00 0.00 C ATOM 0 HA PRO A 93 4.506 -3.389 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.343 -5.278 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.394 -5.553 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.094 -4.554 8.055 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.953 -5.703 7.049 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.705 -3.072 7.263 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.031 -4.033 5.833 1.00 0.00 H new ATOM 1495 N HIS A 94 2.664 -2.765 6.117 1.00 0.00 N ATOM 1496 CA HIS A 94 1.555 -2.189 6.877 1.00 0.00 C ATOM 1497 C HIS A 94 0.324 -3.074 6.730 1.00 0.00 C ATOM 1498 O HIS A 94 0.317 -3.992 5.910 1.00 0.00 O ATOM 1499 CB HIS A 94 1.208 -0.780 6.376 1.00 0.00 C ATOM 1500 CG HIS A 94 2.279 0.245 6.586 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.386 0.354 5.776 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.392 1.229 7.506 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.134 1.358 6.190 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.554 1.912 7.240 1.00 0.00 N ATOM 0 H HIS A 94 2.386 -3.165 5.221 1.00 0.00 H new ATOM 0 HA HIS A 94 1.861 -2.126 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.981 -0.834 5.311 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.301 -0.445 6.879 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.595 -0.248 4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.696 1.440 8.304 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.066 1.675 5.745 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.725 -2.756 7.476 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.955 -3.522 7.408 1.00 0.00 C ATOM 1515 C GLY A 95 -3.034 -2.911 8.279 1.00 0.00 C ATOM 1516 O GLY A 95 -2.732 -2.162 9.208 1.00 0.00 O ATOM 0 H GLY A 95 -0.746 -1.975 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.301 -3.567 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.765 -4.547 7.726 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.287 -3.229 7.983 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.423 -2.551 8.603 1.00 0.00 C ATOM 1522 C PHE A 96 -6.529 -3.553 8.898 1.00 0.00 C ATOM 1523 O PHE A 96 -6.267 -4.742 9.004 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.946 -1.457 7.661 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.862 -0.554 7.143 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.372 0.482 7.921 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.320 -0.756 5.883 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.364 1.300 7.451 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.314 0.060 5.410 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.834 1.090 6.194 1.00 0.00 C ATOM 0 H PHE A 96 -4.546 -3.955 7.315 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.101 -2.096 9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.454 -1.925 6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.689 -0.858 8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.783 0.652 8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.690 -1.561 5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.990 2.104 8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.901 -0.107 4.426 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.046 1.730 5.825 1.00 0.00 H new ATOM 1540 N SER A 97 -7.755 -3.064 9.031 1.00 0.00 N ATOM 1541 CA SER A 97 -8.924 -3.927 9.183 1.00 0.00 C ATOM 1542 C SER A 97 -10.181 -3.228 8.675 1.00 0.00 C ATOM 1543 O SER A 97 -11.300 -3.654 8.958 1.00 0.00 O ATOM 1544 CB SER A 97 -9.116 -4.339 10.648 1.00 0.00 C ATOM 1545 OG SER A 97 -8.287 -5.439 10.992 1.00 0.00 O ATOM 0 H SER A 97 -7.969 -2.067 9.037 1.00 0.00 H new ATOM 0 HA SER A 97 -8.753 -4.824 8.588 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.889 -3.494 11.298 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.160 -4.601 10.820 1.00 0.00 H new ATOM 0 HG SER A 97 -7.486 -5.434 10.428 1.00 0.00 H new ATOM 1551 N SER A 98 -9.986 -2.165 7.906 1.00 0.00 N ATOM 1552 CA SER A 98 -11.095 -1.434 7.318 1.00 0.00 C ATOM 1553 C SER A 98 -10.609 -0.648 6.106 1.00 0.00 C ATOM 1554 O SER A 98 -9.693 0.170 6.215 1.00 0.00 O ATOM 1555 CB SER A 98 -11.718 -0.490 8.351 1.00 0.00 C ATOM 1556 OG SER A 98 -12.861 0.163 7.824 1.00 0.00 O ATOM 0 H SER A 98 -9.066 -1.790 7.676 1.00 0.00 H new ATOM 0 HA SER A 98 -11.858 -2.144 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.996 -1.053 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.982 0.252 8.660 1.00 0.00 H new ATOM 0 HG SER A 98 -13.416 0.496 8.560 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.197 -0.922 4.946 1.00 0.00 N ATOM 1563 CA ARG A 99 -10.818 -0.230 3.719 1.00 0.00 C ATOM 1564 C ARG A 99 -11.063 1.274 3.824 1.00 0.00 C ATOM 1565 O ARG A 99 -10.282 2.068 3.308 1.00 0.00 O ATOM 1566 CB ARG A 99 -11.537 -0.818 2.497 1.00 0.00 C ATOM 1567 CG ARG A 99 -13.055 -0.854 2.598 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.664 -1.403 1.315 1.00 0.00 C ATOM 1569 NE ARG A 99 -15.109 -1.600 1.416 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.770 -2.566 0.776 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.116 -3.408 -0.022 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -17.084 -2.680 0.922 1.00 0.00 N ATOM 0 H ARG A 99 -11.935 -1.616 4.830 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.748 -0.383 3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.260 -0.237 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.175 -1.833 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -13.354 -1.474 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.436 0.149 2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.451 -0.718 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.188 -2.352 1.069 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.642 -0.963 2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.108 -3.315 -0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.623 -4.146 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.589 -2.029 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.589 -3.419 0.433 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.150 1.661 4.488 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.458 3.073 4.698 1.00 0.00 C ATOM 1588 C ILE A 100 -11.340 3.742 5.513 1.00 0.00 C ATOM 1589 O ILE A 100 -11.019 4.914 5.314 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.847 3.255 5.378 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.540 4.539 4.890 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.730 3.264 6.896 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.932 5.830 5.403 1.00 0.00 C ATOM 0 H ILE A 100 -12.831 1.017 4.889 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.513 3.563 3.726 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.459 2.400 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.520 4.553 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.588 4.505 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.719 3.393 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.303 2.320 7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.085 4.086 7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.489 6.678 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.977 5.846 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.892 5.895 5.082 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.732 2.978 6.421 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.616 3.478 7.210 1.00 0.00 C ATOM 1607 C ALA A 101 -8.407 3.683 6.314 1.00 0.00 C ATOM 1608 O ALA A 101 -7.745 4.719 6.372 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.285 2.521 8.349 1.00 0.00 C ATOM 0 H ALA A 101 -10.996 2.014 6.625 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.898 4.435 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.448 2.916 8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.154 2.414 8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.016 1.547 7.940 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.146 2.691 5.470 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.082 2.775 4.476 1.00 0.00 C ATOM 1617 C LEU A 102 -7.289 3.991 3.581 1.00 0.00 C ATOM 1618 O LEU A 102 -6.338 4.696 3.253 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.047 1.490 3.638 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.102 1.505 2.430 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.668 1.778 2.858 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.187 0.187 1.679 1.00 0.00 C ATOM 0 H LEU A 102 -8.662 1.811 5.455 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.126 2.885 4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.762 0.663 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.057 1.283 3.283 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.415 2.311 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.021 1.783 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.614 2.747 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.339 1.000 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.511 0.211 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.903 -0.629 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.208 0.032 1.330 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.543 4.237 3.213 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.904 5.394 2.403 1.00 0.00 C ATOM 1636 C GLU A 103 -8.415 6.676 3.068 1.00 0.00 C ATOM 1637 O GLU A 103 -7.749 7.504 2.445 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.422 5.461 2.234 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.869 6.394 1.124 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.372 6.554 1.074 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.056 5.630 0.589 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.876 7.607 1.519 1.00 0.00 O ATOM 0 H GLU A 103 -9.333 3.643 3.467 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.433 5.293 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.801 4.460 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.870 5.786 3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.407 7.371 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.515 6.011 0.167 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.736 6.817 4.348 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.358 7.996 5.116 1.00 0.00 C ATOM 1651 C ARG A 104 -6.842 8.101 5.249 1.00 0.00 C ATOM 1652 O ARG A 104 -6.282 9.194 5.193 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.993 7.951 6.504 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.514 7.945 6.485 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.089 7.449 7.804 1.00 0.00 C ATOM 1656 NE ARG A 104 -10.566 8.186 8.955 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.753 7.820 10.225 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.477 6.744 10.511 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.219 8.533 11.206 1.00 0.00 N ATOM 0 H ARG A 104 -9.262 6.123 4.879 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.721 8.874 4.581 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.642 7.060 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.650 8.812 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.880 8.952 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.866 7.310 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.175 7.541 7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.861 6.390 7.921 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.025 9.032 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.892 6.194 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.618 6.467 11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.665 9.362 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.362 8.253 12.176 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.183 6.962 5.422 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.741 6.938 5.570 1.00 0.00 C ATOM 1675 C TYR A 105 -4.053 7.283 4.256 1.00 0.00 C ATOM 1676 O TYR A 105 -3.067 8.018 4.244 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.281 5.577 6.082 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.723 5.289 7.498 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.732 6.291 8.458 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.138 4.020 7.872 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.139 6.035 9.752 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.547 3.754 9.164 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.546 4.764 10.099 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.949 4.500 11.388 1.00 0.00 O ATOM 0 H TYR A 105 -6.628 6.045 5.463 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.460 7.694 6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.667 4.799 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.193 5.526 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.415 7.288 8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.141 3.226 7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.139 6.825 10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.866 2.759 9.439 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.205 3.557 11.464 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.579 6.764 3.152 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.086 7.137 1.830 1.00 0.00 C ATOM 1696 C LEU A 106 -4.250 8.634 1.635 1.00 0.00 C ATOM 1697 O LEU A 106 -3.357 9.307 1.130 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.843 6.391 0.726 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.649 4.875 0.696 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.508 4.257 -0.396 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.182 4.530 0.488 1.00 0.00 C ATOM 0 H LEU A 106 -5.342 6.088 3.145 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.033 6.864 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.907 6.600 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.536 6.797 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.962 4.463 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.361 3.177 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.558 4.478 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.222 4.672 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.062 3.447 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.840 4.949 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.591 4.946 1.304 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.396 9.138 2.077 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.726 10.557 1.993 1.00 0.00 C ATOM 1715 C ASN A 107 -4.730 11.422 2.761 1.00 0.00 C ATOM 1716 O ASN A 107 -4.464 12.560 2.381 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.143 10.791 2.525 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.200 10.610 1.452 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.956 10.872 0.274 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -9.383 10.161 1.850 1.00 0.00 N ATOM 0 H ASN A 107 -6.127 8.571 2.506 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.672 10.849 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.339 10.100 3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.213 11.799 2.934 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.130 10.021 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.545 9.955 2.836 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.183 10.883 3.838 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.230 11.633 4.631 1.00 0.00 C ATOM 1729 C GLY A 108 -1.789 11.412 4.204 1.00 0.00 C ATOM 1730 O GLY A 108 -0.969 12.329 4.264 1.00 0.00 O ATOM 0 H GLY A 108 -4.380 9.942 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.464 12.695 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.339 11.352 5.679 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.475 10.190 3.796 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.111 9.826 3.435 1.00 0.00 C ATOM 1736 C LEU A 109 0.238 10.274 2.012 1.00 0.00 C ATOM 1737 O LEU A 109 1.299 10.853 1.782 1.00 0.00 O ATOM 1738 CB LEU A 109 0.084 8.313 3.594 1.00 0.00 C ATOM 1739 CG LEU A 109 1.529 7.816 3.505 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.417 8.563 4.485 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.589 6.322 3.782 1.00 0.00 C ATOM 0 H LEU A 109 -2.150 9.430 3.706 1.00 0.00 H new ATOM 0 HA LEU A 109 0.569 10.346 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.325 8.012 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.502 7.807 2.827 1.00 0.00 H new ATOM 0 HG LEU A 109 1.894 8.005 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.439 8.193 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.397 9.628 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.053 8.404 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.622 5.981 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.204 6.122 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.984 5.791 3.047 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.657 10.012 1.061 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.395 10.326 -0.346 1.00 0.00 C ATOM 1755 C PHE A 110 -1.483 11.231 -0.918 1.00 0.00 C ATOM 1756 O PHE A 110 -1.481 11.538 -2.110 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.352 9.045 -1.189 1.00 0.00 C ATOM 1758 CG PHE A 110 0.560 7.971 -0.669 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.928 8.046 -0.864 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.040 6.875 -0.003 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.763 7.048 -0.401 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.868 5.873 0.458 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.232 5.958 0.260 1.00 0.00 C ATOM 0 H PHE A 110 -1.567 9.585 1.236 1.00 0.00 H new ATOM 0 HA PHE A 110 0.568 10.835 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.362 8.640 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.042 9.305 -2.201 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.347 8.895 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.026 6.804 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.829 7.120 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.449 5.022 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.882 5.174 0.621 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.407 11.646 -0.064 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.601 12.331 -0.524 1.00 0.00 C ATOM 1775 C GLY A 111 -3.335 13.681 -1.156 1.00 0.00 C ATOM 1776 O GLY A 111 -3.858 13.978 -2.232 1.00 0.00 O ATOM 0 H GLY A 111 -2.352 11.520 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.114 11.698 -1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.278 12.464 0.320 1.00 0.00 H new ATOM 1780 N ASP A 112 -2.526 14.495 -0.498 1.00 0.00 N ATOM 1781 CA ASP A 112 -2.272 15.835 -0.922 1.00 0.00 C ATOM 1782 C ASP A 112 -1.007 16.296 -0.229 1.00 0.00 C ATOM 1783 O ASP A 112 -0.460 15.595 0.623 1.00 0.00 O ATOM 1784 CB ASP A 112 -3.457 16.735 -0.554 1.00 0.00 C ATOM 1785 CG ASP A 112 -3.376 18.121 -1.152 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -3.737 18.290 -2.332 1.00 0.00 O ATOM 1787 OD2 ASP A 112 -2.959 19.051 -0.437 1.00 0.00 O ATOM 0 H ASP A 112 -2.029 14.228 0.352 1.00 0.00 H new ATOM 0 HA ASP A 112 -2.146 15.886 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.380 16.259 -0.886 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.514 16.820 0.531 1.00 0.00 H new TER 1792 ASP A 112