USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 738 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 78 SER OG : rot 180:sc= -0.491 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=-0.49,f=-0.49) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.69) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.146 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= 0.0789 (180deg=-1.71!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -176:sc= -0.912 (180deg=-1.12) USER MOD Single : A 14 ASN : amide:sc= -3.24 K(o=-3.2,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.162) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -4.91 K(o=-4.9,f=-4.3!) USER MOD Single : A 25 SER OG : rot -63:sc= 0.077 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 30 SER OG : rot 180:sc= -0.458 USER MOD Single : A 35 ASN : amide:sc= -2.14 K(o=-2.1,f=-9.4!) USER MOD Single : A 41 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.64) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.283 K(o=-0.28,f=-0.79) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.00029) USER MOD Single : A 62 MET CE :methyl -176:sc= -0.0676 (180deg=-0.126) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.9) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.0991 (180deg=-0.152) USER MOD Single : A 69 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.42) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -91:sc= 0.0392 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.632 K(o=-0.63,f=-1.9) USER MOD Single : A 82 SER OG : rot 180:sc= -0.326 USER MOD Single : A 88 ASN : amide:sc= -4.64 K(o=-4.6,f=-6.6!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.265 20.254 -1.770 1.00 0.00 N ATOM 2 CA ALA A 1 -12.323 19.406 -2.387 1.00 0.00 C ATOM 3 C ALA A 1 -11.682 18.186 -3.048 1.00 0.00 C ATOM 4 O ALA A 1 -10.473 18.082 -3.135 1.00 0.00 O ATOM 5 CB ALA A 1 -13.076 20.218 -3.442 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.407 20.293 -0.741 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.330 19.847 -1.975 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.318 21.215 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.018 19.077 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.850 19.598 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.536 21.088 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.379 20.548 -4.213 1.00 0.00 H new ATOM 13 N ARG A 2 -12.487 17.261 -3.512 1.00 0.00 N ATOM 14 CA ARG A 2 -11.942 16.035 -4.171 1.00 0.00 C ATOM 15 C ARG A 2 -11.007 15.292 -3.202 1.00 0.00 C ATOM 16 O ARG A 2 -10.674 15.811 -2.153 1.00 0.00 O ATOM 17 CB ARG A 2 -11.168 16.430 -5.431 1.00 0.00 C ATOM 18 CG ARG A 2 -12.157 16.767 -6.551 1.00 0.00 C ATOM 19 CD ARG A 2 -12.806 15.480 -7.069 1.00 0.00 C ATOM 20 NE ARG A 2 -12.122 15.049 -8.321 1.00 0.00 N ATOM 21 CZ ARG A 2 -12.454 13.924 -8.892 1.00 0.00 C ATOM 22 NH1 ARG A 2 -13.712 13.587 -8.990 1.00 0.00 N ATOM 23 NH2 ARG A 2 -11.530 13.134 -9.364 1.00 0.00 N ATOM 0 H ARG A 2 -13.505 17.304 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.768 15.379 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.529 17.289 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.515 15.614 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.923 17.449 -6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.641 17.278 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.736 14.696 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.866 15.646 -7.260 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.394 15.634 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.435 14.204 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.971 12.707 -9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.547 13.396 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.790 12.255 -9.810 1.00 0.00 H new ATOM 37 N PRO A 3 -10.610 14.096 -3.584 1.00 0.00 N ATOM 38 CA PRO A 3 -9.707 13.342 -2.685 1.00 0.00 C ATOM 39 C PRO A 3 -8.249 13.534 -3.110 1.00 0.00 C ATOM 40 O PRO A 3 -7.826 13.066 -4.154 1.00 0.00 O ATOM 41 CB PRO A 3 -10.125 11.884 -2.844 1.00 0.00 C ATOM 42 CG PRO A 3 -10.825 11.783 -4.211 1.00 0.00 C ATOM 43 CD PRO A 3 -11.243 13.210 -4.598 1.00 0.00 C ATOM 0 HA PRO A 3 -9.779 13.678 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.259 11.224 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.796 11.582 -2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.155 11.360 -4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.694 11.127 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.905 13.459 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.328 13.317 -4.591 1.00 0.00 H new ATOM 51 N ALA A 4 -7.479 14.215 -2.301 1.00 0.00 N ATOM 52 CA ALA A 4 -6.045 14.441 -2.637 1.00 0.00 C ATOM 53 C ALA A 4 -5.313 13.097 -2.692 1.00 0.00 C ATOM 54 O ALA A 4 -4.270 12.982 -3.306 1.00 0.00 O ATOM 55 CB ALA A 4 -5.403 15.328 -1.568 1.00 0.00 C ATOM 0 H ALA A 4 -7.785 14.625 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.974 14.932 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.354 15.493 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.922 16.286 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.475 14.838 -0.597 1.00 0.00 H new ATOM 61 N PHE A 5 -5.845 12.082 -2.049 1.00 0.00 N ATOM 62 CA PHE A 5 -5.173 10.750 -2.062 1.00 0.00 C ATOM 63 C PHE A 5 -5.318 10.110 -3.447 1.00 0.00 C ATOM 64 O PHE A 5 -4.365 9.601 -4.004 1.00 0.00 O ATOM 65 CB PHE A 5 -5.812 9.836 -1.015 1.00 0.00 C ATOM 66 CG PHE A 5 -4.973 8.588 -0.868 1.00 0.00 C ATOM 67 CD1 PHE A 5 -3.813 8.615 -0.085 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.353 7.408 -1.519 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.032 7.462 0.047 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.570 6.254 -1.385 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.410 6.282 -0.603 1.00 0.00 C ATOM 0 H PHE A 5 -6.715 12.123 -1.518 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.116 10.884 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.886 10.354 -0.059 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.827 9.574 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.521 9.526 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.248 7.387 -2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.137 7.483 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.862 5.343 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.806 5.392 -0.501 1.00 0.00 H new ATOM 81 N VAL A 6 -6.505 10.130 -4.013 1.00 0.00 N ATOM 82 CA VAL A 6 -6.697 9.521 -5.366 1.00 0.00 C ATOM 83 C VAL A 6 -5.827 10.270 -6.373 1.00 0.00 C ATOM 84 O VAL A 6 -5.241 9.679 -7.262 1.00 0.00 O ATOM 85 CB VAL A 6 -8.169 9.612 -5.784 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.365 8.882 -7.117 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.047 8.957 -4.714 1.00 0.00 C ATOM 0 H VAL A 6 -7.342 10.539 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.409 8.470 -5.336 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.450 10.659 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.411 8.945 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.740 9.345 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.083 7.835 -7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.093 9.022 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.766 7.910 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.908 9.472 -3.764 1.00 0.00 H new ATOM 97 N ASN A 7 -5.722 11.568 -6.227 1.00 0.00 N ATOM 98 CA ASN A 7 -4.871 12.360 -7.160 1.00 0.00 C ATOM 99 C ASN A 7 -3.406 11.978 -6.930 1.00 0.00 C ATOM 100 O ASN A 7 -2.602 11.981 -7.844 1.00 0.00 O ATOM 101 CB ASN A 7 -5.071 13.854 -6.896 1.00 0.00 C ATOM 102 CG ASN A 7 -6.385 14.314 -7.531 1.00 0.00 C ATOM 103 OD1 ASN A 7 -7.424 13.734 -7.288 1.00 0.00 O ATOM 104 ND2 ASN A 7 -6.381 15.336 -8.341 1.00 0.00 N ATOM 0 H ASN A 7 -6.190 12.111 -5.501 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.149 12.147 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.087 14.045 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.237 14.422 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.251 15.649 -8.771 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.508 15.822 -8.544 1.00 0.00 H new ATOM 111 N LYS A 8 -3.063 11.632 -5.714 1.00 0.00 N ATOM 112 CA LYS A 8 -1.662 11.224 -5.399 1.00 0.00 C ATOM 113 C LYS A 8 -1.360 9.918 -6.149 1.00 0.00 C ATOM 114 O LYS A 8 -0.233 9.657 -6.529 1.00 0.00 O ATOM 115 CB LYS A 8 -1.539 11.038 -3.864 1.00 0.00 C ATOM 116 CG LYS A 8 -0.310 10.190 -3.470 1.00 0.00 C ATOM 117 CD LYS A 8 -0.407 9.819 -1.984 1.00 0.00 C ATOM 118 CE LYS A 8 0.940 9.279 -1.500 1.00 0.00 C ATOM 119 NZ LYS A 8 0.928 9.160 -0.014 1.00 0.00 N ATOM 0 H LYS A 8 -3.702 11.615 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.943 11.980 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.471 12.016 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.443 10.561 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.265 9.288 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.607 10.748 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.691 10.693 -1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.185 9.070 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.136 8.306 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.744 9.944 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.657 9.782 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.006 9.439 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.124 8.175 0.257 1.00 0.00 H new ATOM 133 N LEU A 9 -2.357 9.095 -6.345 1.00 0.00 N ATOM 134 CA LEU A 9 -2.138 7.801 -7.049 1.00 0.00 C ATOM 135 C LEU A 9 -1.692 8.047 -8.492 1.00 0.00 C ATOM 136 O LEU A 9 -0.634 7.621 -8.891 1.00 0.00 O ATOM 137 CB LEU A 9 -3.439 6.993 -7.050 1.00 0.00 C ATOM 138 CG LEU A 9 -3.143 5.534 -7.411 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.243 4.909 -6.341 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.458 4.754 -7.487 1.00 0.00 C ATOM 0 H LEU A 9 -3.317 9.266 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.358 7.246 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.912 7.046 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.142 7.419 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.637 5.496 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.035 3.871 -6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.306 5.464 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.746 4.947 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.251 3.715 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.962 4.795 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.099 5.195 -8.250 1.00 0.00 H new ATOM 152 N TRP A 10 -2.493 8.723 -9.276 1.00 0.00 N ATOM 153 CA TRP A 10 -2.122 8.979 -10.712 1.00 0.00 C ATOM 154 C TRP A 10 -0.727 9.624 -10.829 1.00 0.00 C ATOM 155 O TRP A 10 -0.125 9.600 -11.886 1.00 0.00 O ATOM 156 CB TRP A 10 -3.150 9.913 -11.370 1.00 0.00 C ATOM 157 CG TRP A 10 -4.557 9.496 -11.041 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.606 10.349 -10.961 1.00 0.00 C ATOM 159 CD2 TRP A 10 -5.094 8.164 -10.753 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.746 9.634 -10.642 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.484 8.286 -10.504 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.525 6.877 -10.684 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -7.276 7.179 -10.199 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -5.321 5.761 -10.376 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.692 5.911 -10.134 1.00 0.00 C ATOM 0 H TRP A 10 -3.391 9.112 -8.988 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.110 8.014 -11.219 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.983 10.936 -11.032 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.010 9.907 -12.451 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.560 11.416 -11.121 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.669 10.052 -10.523 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.469 6.747 -10.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.333 7.301 -10.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.872 4.780 -10.326 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.297 5.048 -9.898 1.00 0.00 H new ATOM 176 N SER A 11 -0.215 10.217 -9.775 1.00 0.00 N ATOM 177 CA SER A 11 1.128 10.877 -9.860 1.00 0.00 C ATOM 178 C SER A 11 2.266 9.873 -9.606 1.00 0.00 C ATOM 179 O SER A 11 3.354 10.023 -10.134 1.00 0.00 O ATOM 180 CB SER A 11 1.198 12.003 -8.821 1.00 0.00 C ATOM 181 OG SER A 11 1.676 13.187 -9.445 1.00 0.00 O ATOM 0 H SER A 11 -0.668 10.272 -8.863 1.00 0.00 H new ATOM 0 HA SER A 11 1.252 11.278 -10.866 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.212 12.178 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.858 11.718 -8.002 1.00 0.00 H new ATOM 0 HG SER A 11 1.721 13.910 -8.785 1.00 0.00 H new ATOM 187 N MET A 12 2.049 8.881 -8.779 1.00 0.00 N ATOM 188 CA MET A 12 3.143 7.903 -8.476 1.00 0.00 C ATOM 189 C MET A 12 3.102 6.676 -9.403 1.00 0.00 C ATOM 190 O MET A 12 4.085 5.971 -9.530 1.00 0.00 O ATOM 191 CB MET A 12 3.012 7.414 -7.031 1.00 0.00 C ATOM 192 CG MET A 12 2.874 8.605 -6.078 1.00 0.00 C ATOM 193 SD MET A 12 3.495 8.149 -4.435 1.00 0.00 S ATOM 194 CE MET A 12 2.546 6.619 -4.224 1.00 0.00 C ATOM 0 H MET A 12 1.165 8.705 -8.301 1.00 0.00 H new ATOM 0 HA MET A 12 4.088 8.424 -8.632 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.143 6.762 -6.938 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.886 6.822 -6.760 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.431 9.458 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.830 8.910 -6.011 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.731 6.210 -3.231 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.483 6.832 -4.336 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.852 5.894 -4.978 1.00 0.00 H new ATOM 204 N VAL A 13 1.975 6.380 -10.006 1.00 0.00 N ATOM 205 CA VAL A 13 1.896 5.149 -10.866 1.00 0.00 C ATOM 206 C VAL A 13 2.245 5.460 -12.327 1.00 0.00 C ATOM 207 O VAL A 13 2.568 4.560 -13.080 1.00 0.00 O ATOM 208 CB VAL A 13 0.492 4.478 -10.812 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.669 2.970 -10.626 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.376 5.009 -9.655 1.00 0.00 C ATOM 0 H VAL A 13 1.116 6.927 -9.944 1.00 0.00 H new ATOM 0 HA VAL A 13 2.629 4.453 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.015 4.713 -11.748 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.309 2.491 -10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.238 2.565 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.204 2.778 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.343 4.507 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.124 4.814 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.523 6.082 -9.774 1.00 0.00 H new ATOM 220 N ASN A 14 2.188 6.706 -12.750 1.00 0.00 N ATOM 221 CA ASN A 14 2.526 7.018 -14.185 1.00 0.00 C ATOM 222 C ASN A 14 3.927 6.485 -14.520 1.00 0.00 C ATOM 223 O ASN A 14 4.236 6.216 -15.665 1.00 0.00 O ATOM 224 CB ASN A 14 2.463 8.530 -14.461 1.00 0.00 C ATOM 225 CG ASN A 14 3.049 9.325 -13.296 1.00 0.00 C ATOM 226 OD1 ASN A 14 2.365 9.600 -12.334 1.00 0.00 O ATOM 227 ND2 ASN A 14 4.291 9.723 -13.352 1.00 0.00 N ATOM 0 H ASN A 14 1.927 7.508 -12.177 1.00 0.00 H new ATOM 0 HA ASN A 14 1.787 6.528 -14.819 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.011 8.759 -15.375 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.428 8.830 -14.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.687 10.266 -12.585 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.865 9.491 -14.162 1.00 0.00 H new ATOM 234 N ASP A 15 4.763 6.304 -13.526 1.00 0.00 N ATOM 235 CA ASP A 15 6.130 5.756 -13.769 1.00 0.00 C ATOM 236 C ASP A 15 6.911 6.637 -14.751 1.00 0.00 C ATOM 237 O ASP A 15 7.556 6.142 -15.656 1.00 0.00 O ATOM 238 CB ASP A 15 6.009 4.338 -14.334 1.00 0.00 C ATOM 239 CG ASP A 15 5.391 3.421 -13.278 1.00 0.00 C ATOM 240 OD1 ASP A 15 5.903 3.398 -12.171 1.00 0.00 O ATOM 241 OD2 ASP A 15 4.417 2.760 -13.594 1.00 0.00 O ATOM 0 H ASP A 15 4.553 6.515 -12.550 1.00 0.00 H new ATOM 0 HA ASP A 15 6.672 5.738 -12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.392 4.344 -15.232 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.991 3.966 -14.625 1.00 0.00 H new ATOM 246 N LYS A 16 6.879 7.932 -14.569 1.00 0.00 N ATOM 247 CA LYS A 16 7.652 8.831 -15.475 1.00 0.00 C ATOM 248 C LYS A 16 9.031 9.055 -14.858 1.00 0.00 C ATOM 249 O LYS A 16 10.049 8.913 -15.506 1.00 0.00 O ATOM 250 CB LYS A 16 6.930 10.170 -15.638 1.00 0.00 C ATOM 251 CG LYS A 16 7.563 10.948 -16.795 1.00 0.00 C ATOM 252 CD LYS A 16 6.766 12.230 -17.053 1.00 0.00 C ATOM 253 CE LYS A 16 7.727 13.368 -17.405 1.00 0.00 C ATOM 254 NZ LYS A 16 8.498 13.006 -18.629 1.00 0.00 N ATOM 0 H LYS A 16 6.352 8.404 -13.834 1.00 0.00 H new ATOM 0 HA LYS A 16 7.747 8.374 -16.460 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.871 10.004 -15.833 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.998 10.747 -14.716 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.598 11.194 -16.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.580 10.332 -17.694 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.058 12.073 -17.867 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.183 12.492 -16.170 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.170 14.290 -17.572 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.408 13.553 -16.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.956 13.856 -19.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.224 12.302 -18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.853 12.607 -19.340 1.00 0.00 H new ATOM 268 N SER A 17 9.060 9.390 -13.594 1.00 0.00 N ATOM 269 CA SER A 17 10.355 9.610 -12.892 1.00 0.00 C ATOM 270 C SER A 17 10.647 8.396 -12.005 1.00 0.00 C ATOM 271 O SER A 17 11.790 8.058 -11.757 1.00 0.00 O ATOM 272 CB SER A 17 10.257 10.865 -12.025 1.00 0.00 C ATOM 273 OG SER A 17 9.354 11.784 -12.626 1.00 0.00 O ATOM 0 H SER A 17 8.231 9.521 -13.014 1.00 0.00 H new ATOM 0 HA SER A 17 11.156 9.739 -13.620 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.914 10.603 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.240 11.323 -11.916 1.00 0.00 H new ATOM 0 HG SER A 17 9.288 12.589 -12.071 1.00 0.00 H new ATOM 279 N ASN A 18 9.617 7.735 -11.531 1.00 0.00 N ATOM 280 CA ASN A 18 9.821 6.537 -10.664 1.00 0.00 C ATOM 281 C ASN A 18 9.735 5.263 -11.518 1.00 0.00 C ATOM 282 O ASN A 18 9.443 4.197 -11.013 1.00 0.00 O ATOM 283 CB ASN A 18 8.734 6.491 -9.581 1.00 0.00 C ATOM 284 CG ASN A 18 8.632 7.852 -8.884 1.00 0.00 C ATOM 285 OD1 ASN A 18 9.606 8.572 -8.786 1.00 0.00 O ATOM 286 ND2 ASN A 18 7.485 8.235 -8.393 1.00 0.00 N ATOM 0 H ASN A 18 8.642 7.977 -11.709 1.00 0.00 H new ATOM 0 HA ASN A 18 10.803 6.599 -10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.775 6.229 -10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.968 5.716 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.406 9.139 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.668 7.630 -8.475 1.00 0.00 H new ATOM 293 N GLU A 19 9.989 5.369 -12.806 1.00 0.00 N ATOM 294 CA GLU A 19 9.924 4.168 -13.701 1.00 0.00 C ATOM 295 C GLU A 19 10.941 3.130 -13.230 1.00 0.00 C ATOM 296 O GLU A 19 12.072 3.120 -13.674 1.00 0.00 O ATOM 297 CB GLU A 19 10.259 4.588 -15.136 1.00 0.00 C ATOM 298 CG GLU A 19 10.093 3.392 -16.079 1.00 0.00 C ATOM 299 CD GLU A 19 9.662 3.886 -17.460 1.00 0.00 C ATOM 300 OE1 GLU A 19 10.200 4.886 -17.905 1.00 0.00 O ATOM 301 OE2 GLU A 19 8.800 3.255 -18.050 1.00 0.00 O ATOM 0 H GLU A 19 10.239 6.240 -13.275 1.00 0.00 H new ATOM 0 HA GLU A 19 8.922 3.741 -13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.605 5.402 -15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.281 4.963 -15.186 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.031 2.842 -16.154 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.350 2.701 -15.680 1.00 0.00 H new ATOM 308 N LYS A 20 10.539 2.257 -12.340 1.00 0.00 N ATOM 309 CA LYS A 20 11.465 1.208 -11.817 1.00 0.00 C ATOM 310 C LYS A 20 10.769 0.431 -10.699 1.00 0.00 C ATOM 311 O LYS A 20 11.024 -0.741 -10.498 1.00 0.00 O ATOM 312 CB LYS A 20 12.720 1.862 -11.213 1.00 0.00 C ATOM 313 CG LYS A 20 13.876 0.862 -11.212 1.00 0.00 C ATOM 314 CD LYS A 20 14.920 1.302 -10.179 1.00 0.00 C ATOM 315 CE LYS A 20 15.974 0.205 -9.999 1.00 0.00 C ATOM 316 NZ LYS A 20 16.153 -0.073 -8.546 1.00 0.00 N ATOM 0 H LYS A 20 9.597 2.227 -11.950 1.00 0.00 H new ATOM 0 HA LYS A 20 11.741 0.549 -12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.993 2.747 -11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.514 2.195 -10.196 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.509 -0.136 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.327 0.808 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.397 2.227 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.435 1.511 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.664 -0.702 -10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.920 0.518 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.868 -0.818 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.466 0.793 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.250 -0.389 -8.139 1.00 0.00 H new ATOM 330 N PHE A 21 9.928 1.093 -9.938 1.00 0.00 N ATOM 331 CA PHE A 21 9.260 0.408 -8.793 1.00 0.00 C ATOM 332 C PHE A 21 7.808 -0.010 -9.130 1.00 0.00 C ATOM 333 O PHE A 21 7.576 -1.116 -9.579 1.00 0.00 O ATOM 334 CB PHE A 21 9.287 1.350 -7.584 1.00 0.00 C ATOM 335 CG PHE A 21 10.712 1.758 -7.289 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.557 0.896 -6.581 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.186 3.000 -7.728 1.00 0.00 C ATOM 338 CE1 PHE A 21 12.877 1.278 -6.309 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.506 3.381 -7.457 1.00 0.00 C ATOM 340 CZ PHE A 21 13.352 2.520 -6.747 1.00 0.00 C ATOM 0 H PHE A 21 9.678 2.074 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 21 9.801 -0.511 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.680 2.233 -7.785 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.853 0.855 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.192 -0.063 -6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.534 3.664 -8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.529 0.614 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.872 4.339 -7.796 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.370 2.814 -6.538 1.00 0.00 H new ATOM 350 N ILE A 22 6.828 0.837 -8.882 1.00 0.00 N ATOM 351 CA ILE A 22 5.402 0.457 -9.147 1.00 0.00 C ATOM 352 C ILE A 22 5.103 0.437 -10.651 1.00 0.00 C ATOM 353 O ILE A 22 5.808 1.020 -11.450 1.00 0.00 O ATOM 354 CB ILE A 22 4.477 1.462 -8.438 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.015 1.036 -8.614 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.671 2.864 -9.025 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.131 1.845 -7.664 1.00 0.00 C ATOM 0 H ILE A 22 6.959 1.776 -8.507 1.00 0.00 H new ATOM 0 HA ILE A 22 5.228 -0.547 -8.761 1.00 0.00 H new ATOM 0 HB ILE A 22 4.727 1.480 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.700 1.195 -9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.908 -0.029 -8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.011 3.566 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.707 3.175 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.433 2.849 -10.089 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.091 1.543 -7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.441 1.663 -6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.230 2.907 -7.890 1.00 0.00 H new ATOM 369 N HIS A 23 4.041 -0.233 -11.025 1.00 0.00 N ATOM 370 CA HIS A 23 3.648 -0.309 -12.459 1.00 0.00 C ATOM 371 C HIS A 23 2.269 -0.979 -12.559 1.00 0.00 C ATOM 372 O HIS A 23 1.930 -1.832 -11.759 1.00 0.00 O ATOM 373 CB HIS A 23 4.686 -1.127 -13.237 1.00 0.00 C ATOM 374 CG HIS A 23 4.833 -2.490 -12.614 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.775 -3.654 -13.365 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.026 -2.891 -11.315 1.00 0.00 C ATOM 377 CE1 HIS A 23 4.928 -4.689 -12.519 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.084 -4.281 -11.258 1.00 0.00 N ATOM 0 H HIS A 23 3.424 -0.736 -10.387 1.00 0.00 H new ATOM 0 HA HIS A 23 3.601 0.693 -12.885 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.379 -1.224 -14.278 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.646 -0.610 -13.234 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.641 -3.715 -14.374 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.119 -2.229 -10.467 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.925 -5.725 -12.824 1.00 0.00 H new ATOM 386 N TRP A 24 1.475 -0.591 -13.524 1.00 0.00 N ATOM 387 CA TRP A 24 0.115 -1.197 -13.672 1.00 0.00 C ATOM 388 C TRP A 24 0.243 -2.696 -13.956 1.00 0.00 C ATOM 389 O TRP A 24 1.328 -3.205 -14.164 1.00 0.00 O ATOM 390 CB TRP A 24 -0.623 -0.521 -14.829 1.00 0.00 C ATOM 391 CG TRP A 24 -0.872 0.916 -14.491 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.018 1.919 -14.666 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.071 1.524 -13.928 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.557 3.105 -14.243 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.844 2.914 -13.781 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.319 1.011 -13.533 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.823 3.764 -13.261 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.306 1.863 -13.010 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.058 3.237 -12.875 1.00 0.00 C ATOM 0 H TRP A 24 1.709 0.120 -14.217 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.444 -1.052 -12.748 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.033 -0.594 -15.743 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.568 -1.030 -15.018 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.014 1.812 -15.070 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.087 4.010 -14.269 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.520 -0.045 -13.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.627 4.821 -13.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.261 1.458 -12.710 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.821 3.887 -12.473 1.00 0.00 H new ATOM 410 N SER A 25 -0.860 -3.402 -13.967 1.00 0.00 N ATOM 411 CA SER A 25 -0.819 -4.869 -14.239 1.00 0.00 C ATOM 412 C SER A 25 -0.975 -5.104 -15.744 1.00 0.00 C ATOM 413 O SER A 25 -1.872 -5.798 -16.189 1.00 0.00 O ATOM 414 CB SER A 25 -1.956 -5.566 -13.484 1.00 0.00 C ATOM 415 OG SER A 25 -1.787 -6.974 -13.577 1.00 0.00 O ATOM 0 H SER A 25 -1.791 -3.022 -13.798 1.00 0.00 H new ATOM 0 HA SER A 25 0.133 -5.278 -13.902 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.957 -5.257 -12.439 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.919 -5.275 -13.904 1.00 0.00 H new ATOM 0 HG SER A 25 -1.850 -7.250 -14.515 1.00 0.00 H new ATOM 421 N THR A 26 -0.105 -4.524 -16.532 1.00 0.00 N ATOM 422 CA THR A 26 -0.187 -4.697 -18.013 1.00 0.00 C ATOM 423 C THR A 26 -1.536 -4.176 -18.519 1.00 0.00 C ATOM 424 O THR A 26 -2.554 -4.827 -18.384 1.00 0.00 O ATOM 425 CB THR A 26 -0.042 -6.181 -18.365 1.00 0.00 C ATOM 426 OG1 THR A 26 0.982 -6.759 -17.567 1.00 0.00 O ATOM 427 CG2 THR A 26 0.318 -6.324 -19.843 1.00 0.00 C ATOM 0 H THR A 26 0.663 -3.935 -16.210 1.00 0.00 H new ATOM 0 HA THR A 26 0.616 -4.133 -18.487 1.00 0.00 H new ATOM 0 HB THR A 26 -0.985 -6.693 -18.172 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.074 -7.709 -17.790 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.421 -7.380 -20.092 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.469 -5.882 -20.454 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.260 -5.812 -20.039 1.00 0.00 H new ATOM 435 N SER A 27 -1.545 -3.003 -19.102 1.00 0.00 N ATOM 436 CA SER A 27 -2.818 -2.414 -19.629 1.00 0.00 C ATOM 437 C SER A 27 -3.766 -2.080 -18.470 1.00 0.00 C ATOM 438 O SER A 27 -4.969 -2.022 -18.645 1.00 0.00 O ATOM 439 CB SER A 27 -3.503 -3.402 -20.580 1.00 0.00 C ATOM 440 OG SER A 27 -2.513 -4.109 -21.316 1.00 0.00 O ATOM 0 H SER A 27 -0.718 -2.422 -19.237 1.00 0.00 H new ATOM 0 HA SER A 27 -2.578 -1.500 -20.172 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.120 -4.100 -20.015 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.167 -2.869 -21.260 1.00 0.00 H new ATOM 0 HG SER A 27 -2.948 -4.743 -21.924 1.00 0.00 H new ATOM 446 N GLY A 28 -3.236 -1.846 -17.294 1.00 0.00 N ATOM 447 CA GLY A 28 -4.105 -1.496 -16.129 1.00 0.00 C ATOM 448 C GLY A 28 -4.571 -2.765 -15.410 1.00 0.00 C ATOM 449 O GLY A 28 -3.794 -3.664 -15.172 1.00 0.00 O ATOM 0 H GLY A 28 -2.237 -1.883 -17.091 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.556 -0.859 -15.436 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.969 -0.926 -16.470 1.00 0.00 H new ATOM 453 N GLU A 29 -5.844 -2.819 -15.059 1.00 0.00 N ATOM 454 CA GLU A 29 -6.441 -4.001 -14.333 1.00 0.00 C ATOM 455 C GLU A 29 -6.194 -3.863 -12.827 1.00 0.00 C ATOM 456 O GLU A 29 -7.120 -3.695 -12.056 1.00 0.00 O ATOM 457 CB GLU A 29 -5.865 -5.339 -14.835 1.00 0.00 C ATOM 458 CG GLU A 29 -5.832 -5.354 -16.373 1.00 0.00 C ATOM 459 CD GLU A 29 -6.760 -6.452 -16.904 1.00 0.00 C ATOM 460 OE1 GLU A 29 -6.701 -7.554 -16.383 1.00 0.00 O ATOM 461 OE2 GLU A 29 -7.514 -6.169 -17.820 1.00 0.00 O ATOM 0 H GLU A 29 -6.511 -2.072 -15.251 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.512 -4.006 -14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.859 -5.482 -14.440 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.472 -6.166 -14.468 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.142 -4.384 -16.762 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.814 -5.526 -16.722 1.00 0.00 H new ATOM 468 N SER A 30 -4.957 -3.927 -12.401 1.00 0.00 N ATOM 469 CA SER A 30 -4.652 -3.794 -10.942 1.00 0.00 C ATOM 470 C SER A 30 -3.226 -3.266 -10.770 1.00 0.00 C ATOM 471 O SER A 30 -2.477 -3.174 -11.721 1.00 0.00 O ATOM 472 CB SER A 30 -4.775 -5.158 -10.264 1.00 0.00 C ATOM 473 OG SER A 30 -5.723 -5.949 -10.968 1.00 0.00 O ATOM 0 H SER A 30 -4.144 -4.066 -13.001 1.00 0.00 H new ATOM 0 HA SER A 30 -5.358 -3.100 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.807 -5.658 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.086 -5.035 -9.227 1.00 0.00 H new ATOM 0 HG SER A 30 -5.803 -6.825 -10.536 1.00 0.00 H new ATOM 479 N ILE A 31 -2.846 -2.922 -9.564 1.00 0.00 N ATOM 480 CA ILE A 31 -1.464 -2.404 -9.334 1.00 0.00 C ATOM 481 C ILE A 31 -0.576 -3.536 -8.819 1.00 0.00 C ATOM 482 O ILE A 31 -0.978 -4.314 -7.973 1.00 0.00 O ATOM 483 CB ILE A 31 -1.498 -1.272 -8.305 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.510 -0.208 -8.746 1.00 0.00 C ATOM 485 CG2 ILE A 31 -0.108 -0.637 -8.202 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.891 0.666 -7.550 1.00 0.00 C ATOM 0 H ILE A 31 -3.432 -2.978 -8.731 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.062 -2.022 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.791 -1.673 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.083 0.408 -9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.399 -0.686 -9.158 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.130 0.170 -7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.614 -1.391 -7.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.182 -0.237 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.610 1.422 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.335 0.045 -6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.999 1.155 -7.158 1.00 0.00 H new ATOM 498 N VAL A 32 0.626 -3.635 -9.327 1.00 0.00 N ATOM 499 CA VAL A 32 1.549 -4.719 -8.876 1.00 0.00 C ATOM 500 C VAL A 32 2.837 -4.097 -8.334 1.00 0.00 C ATOM 501 O VAL A 32 3.528 -3.377 -9.030 1.00 0.00 O ATOM 502 CB VAL A 32 1.872 -5.631 -10.062 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.749 -6.796 -9.598 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.566 -6.175 -10.646 1.00 0.00 C ATOM 0 H VAL A 32 1.009 -3.010 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 32 1.075 -5.304 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 32 2.408 -5.063 -10.822 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.975 -7.441 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.678 -6.408 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.220 -7.369 -8.837 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.789 -6.826 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.034 -6.742 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.056 -5.345 -10.981 1.00 0.00 H new ATOM 514 N VAL A 33 3.161 -4.372 -7.097 1.00 0.00 N ATOM 515 CA VAL A 33 4.404 -3.801 -6.498 1.00 0.00 C ATOM 516 C VAL A 33 5.494 -4.879 -6.464 1.00 0.00 C ATOM 517 O VAL A 33 5.459 -5.755 -5.621 1.00 0.00 O ATOM 518 CB VAL A 33 4.125 -3.328 -5.068 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.316 -2.503 -4.572 1.00 0.00 C ATOM 520 CG2 VAL A 33 2.860 -2.464 -5.038 1.00 0.00 C ATOM 0 H VAL A 33 2.617 -4.969 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 33 4.735 -2.956 -7.102 1.00 0.00 H new ATOM 0 HB VAL A 33 3.978 -4.195 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.124 -2.163 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.216 -3.118 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.457 -1.640 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.670 -2.133 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.997 -1.595 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.012 -3.049 -5.394 1.00 0.00 H new ATOM 530 N PRO A 34 6.435 -4.785 -7.381 1.00 0.00 N ATOM 531 CA PRO A 34 7.512 -5.802 -7.386 1.00 0.00 C ATOM 532 C PRO A 34 8.531 -5.504 -6.279 1.00 0.00 C ATOM 533 O PRO A 34 9.208 -6.393 -5.798 1.00 0.00 O ATOM 534 CB PRO A 34 8.155 -5.683 -8.768 1.00 0.00 C ATOM 535 CG PRO A 34 7.827 -4.270 -9.277 1.00 0.00 C ATOM 536 CD PRO A 34 6.619 -3.780 -8.463 1.00 0.00 C ATOM 0 HA PRO A 34 7.137 -6.808 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.233 -5.835 -8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.763 -6.441 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.679 -3.603 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.596 -4.286 -10.342 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.800 -2.788 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.728 -3.708 -9.087 1.00 0.00 H new ATOM 544 N ASN A 35 8.641 -4.262 -5.869 1.00 0.00 N ATOM 545 CA ASN A 35 9.615 -3.910 -4.788 1.00 0.00 C ATOM 546 C ASN A 35 9.058 -2.762 -3.937 1.00 0.00 C ATOM 547 O ASN A 35 9.439 -1.617 -4.089 1.00 0.00 O ATOM 548 CB ASN A 35 10.956 -3.490 -5.405 1.00 0.00 C ATOM 549 CG ASN A 35 10.722 -2.485 -6.538 1.00 0.00 C ATOM 550 OD1 ASN A 35 9.741 -1.769 -6.541 1.00 0.00 O ATOM 551 ND2 ASN A 35 11.589 -2.403 -7.509 1.00 0.00 N ATOM 0 H ASN A 35 8.100 -3.479 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 35 9.771 -4.784 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.594 -3.046 -4.641 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.479 -4.366 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.442 -1.738 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.414 -3.003 -7.508 1.00 0.00 H new ATOM 558 N ARG A 36 8.161 -3.069 -3.034 1.00 0.00 N ATOM 559 CA ARG A 36 7.570 -2.014 -2.158 1.00 0.00 C ATOM 560 C ARG A 36 8.589 -1.582 -1.097 1.00 0.00 C ATOM 561 O ARG A 36 8.525 -0.486 -0.578 1.00 0.00 O ATOM 562 CB ARG A 36 6.334 -2.575 -1.452 1.00 0.00 C ATOM 563 CG ARG A 36 5.593 -1.442 -0.738 1.00 0.00 C ATOM 564 CD ARG A 36 4.483 -2.023 0.146 1.00 0.00 C ATOM 565 NE ARG A 36 3.156 -1.737 -0.469 1.00 0.00 N ATOM 566 CZ ARG A 36 2.427 -0.751 -0.023 1.00 0.00 C ATOM 567 NH1 ARG A 36 2.776 0.483 -0.268 1.00 0.00 N ATOM 568 NH2 ARG A 36 1.351 -0.997 0.675 1.00 0.00 N ATOM 0 H ARG A 36 7.811 -4.012 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 36 7.296 -1.156 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.675 -3.055 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.629 -3.340 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.290 -0.866 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.166 -0.756 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.619 -3.099 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.534 -1.589 1.144 1.00 0.00 H new ATOM 0 HE ARG A 36 2.817 -2.313 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.619 0.677 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.206 1.253 0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.080 -1.960 0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.782 -0.226 1.023 1.00 0.00 H new ATOM 582 N GLU A 37 9.514 -2.442 -0.761 1.00 0.00 N ATOM 583 CA GLU A 37 10.526 -2.096 0.283 1.00 0.00 C ATOM 584 C GLU A 37 11.361 -0.886 -0.155 1.00 0.00 C ATOM 585 O GLU A 37 11.518 0.063 0.589 1.00 0.00 O ATOM 586 CB GLU A 37 11.449 -3.298 0.505 1.00 0.00 C ATOM 587 CG GLU A 37 12.352 -3.040 1.712 1.00 0.00 C ATOM 588 CD GLU A 37 12.868 -4.373 2.256 1.00 0.00 C ATOM 589 OE1 GLU A 37 12.154 -4.994 3.026 1.00 0.00 O ATOM 590 OE2 GLU A 37 13.970 -4.752 1.894 1.00 0.00 O ATOM 0 H GLU A 37 9.613 -3.373 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 37 10.008 -1.845 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.856 -4.198 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.055 -3.472 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.189 -2.404 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.799 -2.508 2.486 1.00 0.00 H new ATOM 597 N ARG A 38 11.907 -0.918 -1.346 1.00 0.00 N ATOM 598 CA ARG A 38 12.746 0.227 -1.819 1.00 0.00 C ATOM 599 C ARG A 38 11.852 1.362 -2.327 1.00 0.00 C ATOM 600 O ARG A 38 12.222 2.519 -2.274 1.00 0.00 O ATOM 601 CB ARG A 38 13.666 -0.249 -2.952 1.00 0.00 C ATOM 602 CG ARG A 38 15.072 -0.532 -2.400 1.00 0.00 C ATOM 603 CD ARG A 38 16.049 0.543 -2.888 1.00 0.00 C ATOM 604 NE ARG A 38 17.435 0.000 -2.864 1.00 0.00 N ATOM 605 CZ ARG A 38 18.135 0.047 -1.763 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.693 1.166 -1.393 1.00 0.00 N ATOM 607 NH2 ARG A 38 18.275 -1.025 -1.034 1.00 0.00 N ATOM 0 H ARG A 38 11.808 -1.686 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 38 13.347 0.596 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.257 -1.150 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.718 0.510 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.048 -0.547 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.409 -1.516 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.787 0.856 -3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.982 1.426 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 38 17.838 -0.409 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.582 2.004 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.240 1.203 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.838 -1.900 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.822 -0.989 -0.174 1.00 0.00 H new ATOM 621 N PHE A 39 10.682 1.043 -2.821 1.00 0.00 N ATOM 622 CA PHE A 39 9.762 2.103 -3.338 1.00 0.00 C ATOM 623 C PHE A 39 9.427 3.102 -2.217 1.00 0.00 C ATOM 624 O PHE A 39 9.688 4.285 -2.326 1.00 0.00 O ATOM 625 CB PHE A 39 8.473 1.432 -3.852 1.00 0.00 C ATOM 626 CG PHE A 39 7.385 2.463 -4.102 1.00 0.00 C ATOM 627 CD1 PHE A 39 7.331 3.159 -5.316 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.433 2.715 -3.106 1.00 0.00 C ATOM 629 CE1 PHE A 39 6.323 4.105 -5.535 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.426 3.662 -3.325 1.00 0.00 C ATOM 631 CZ PHE A 39 5.370 4.356 -4.540 1.00 0.00 C ATOM 0 H PHE A 39 10.323 0.091 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 39 10.244 2.646 -4.151 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.684 0.890 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.125 0.700 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.067 2.966 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.476 2.179 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.280 4.641 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.692 3.858 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.592 5.085 -4.710 1.00 0.00 H new ATOM 641 N VAL A 40 8.827 2.628 -1.157 1.00 0.00 N ATOM 642 CA VAL A 40 8.437 3.528 -0.028 1.00 0.00 C ATOM 643 C VAL A 40 9.657 4.304 0.480 1.00 0.00 C ATOM 644 O VAL A 40 9.600 5.500 0.680 1.00 0.00 O ATOM 645 CB VAL A 40 7.865 2.680 1.119 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.363 3.591 2.244 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.696 1.831 0.610 1.00 0.00 C ATOM 0 H VAL A 40 8.587 1.646 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 40 7.688 4.236 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 40 8.654 2.030 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.959 2.982 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.190 4.193 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.582 4.247 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.297 1.233 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.914 2.484 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.044 1.171 -0.184 1.00 0.00 H new ATOM 657 N GLN A 41 10.741 3.619 0.711 1.00 0.00 N ATOM 658 CA GLN A 41 11.968 4.285 1.247 1.00 0.00 C ATOM 659 C GLN A 41 12.559 5.293 0.252 1.00 0.00 C ATOM 660 O GLN A 41 13.307 6.171 0.642 1.00 0.00 O ATOM 661 CB GLN A 41 13.016 3.222 1.564 1.00 0.00 C ATOM 662 CG GLN A 41 14.068 3.819 2.500 1.00 0.00 C ATOM 663 CD GLN A 41 13.711 3.489 3.951 1.00 0.00 C ATOM 664 OE1 GLN A 41 13.396 2.360 4.269 1.00 0.00 O ATOM 665 NE2 GLN A 41 13.748 4.435 4.850 1.00 0.00 N ATOM 0 H GLN A 41 10.834 2.616 0.551 1.00 0.00 H new ATOM 0 HA GLN A 41 11.685 4.831 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.545 2.357 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.486 2.872 0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.053 3.420 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.119 4.899 2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.013 5.383 4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.512 4.226 5.820 1.00 0.00 H new ATOM 674 N GLU A 42 12.262 5.177 -1.021 1.00 0.00 N ATOM 675 CA GLU A 42 12.855 6.137 -2.005 1.00 0.00 C ATOM 676 C GLU A 42 11.780 6.736 -2.920 1.00 0.00 C ATOM 677 O GLU A 42 12.075 7.135 -4.031 1.00 0.00 O ATOM 678 CB GLU A 42 13.893 5.407 -2.859 1.00 0.00 C ATOM 679 CG GLU A 42 15.003 4.867 -1.957 1.00 0.00 C ATOM 680 CD GLU A 42 15.908 6.021 -1.519 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.613 6.548 -2.364 1.00 0.00 O ATOM 682 OE2 GLU A 42 15.880 6.357 -0.347 1.00 0.00 O ATOM 0 H GLU A 42 11.643 4.469 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 42 13.322 6.950 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.422 4.589 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.311 6.086 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.571 4.377 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.586 4.115 -2.489 1.00 0.00 H new ATOM 689 N VAL A 43 10.550 6.816 -2.471 1.00 0.00 N ATOM 690 CA VAL A 43 9.481 7.411 -3.341 1.00 0.00 C ATOM 691 C VAL A 43 8.353 8.018 -2.491 1.00 0.00 C ATOM 692 O VAL A 43 7.790 9.035 -2.854 1.00 0.00 O ATOM 693 CB VAL A 43 8.895 6.335 -4.272 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.871 6.979 -5.217 1.00 0.00 C ATOM 695 CG2 VAL A 43 10.015 5.708 -5.108 1.00 0.00 C ATOM 0 H VAL A 43 10.241 6.500 -1.552 1.00 0.00 H new ATOM 0 HA VAL A 43 9.936 8.203 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 43 8.413 5.566 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.455 6.217 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.069 7.429 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.360 7.748 -5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.596 4.947 -5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.497 6.480 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.750 5.251 -4.446 1.00 0.00 H new ATOM 705 N LEU A 44 7.995 7.406 -1.386 1.00 0.00 N ATOM 706 CA LEU A 44 6.879 7.962 -0.557 1.00 0.00 C ATOM 707 C LEU A 44 7.247 9.326 0.051 1.00 0.00 C ATOM 708 O LEU A 44 6.466 10.251 -0.042 1.00 0.00 O ATOM 709 CB LEU A 44 6.518 6.989 0.566 1.00 0.00 C ATOM 710 CG LEU A 44 5.223 7.454 1.250 1.00 0.00 C ATOM 711 CD1 LEU A 44 4.067 7.485 0.239 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.878 6.489 2.386 1.00 0.00 C ATOM 0 H LEU A 44 8.423 6.553 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 44 6.022 8.100 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.389 5.984 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.328 6.939 1.293 1.00 0.00 H new ATOM 0 HG LEU A 44 5.372 8.458 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.156 7.816 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.309 8.175 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.914 6.486 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.960 6.815 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.738 5.486 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.691 6.477 3.112 1.00 0.00 H new ATOM 724 N PRO A 45 8.406 9.416 0.675 1.00 0.00 N ATOM 725 CA PRO A 45 8.763 10.724 1.285 1.00 0.00 C ATOM 726 C PRO A 45 8.966 11.798 0.210 1.00 0.00 C ATOM 727 O PRO A 45 8.849 12.979 0.480 1.00 0.00 O ATOM 728 CB PRO A 45 10.056 10.461 2.056 1.00 0.00 C ATOM 729 CG PRO A 45 10.688 9.217 1.418 1.00 0.00 C ATOM 730 CD PRO A 45 9.546 8.461 0.723 1.00 0.00 C ATOM 0 HA PRO A 45 7.973 11.100 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.729 11.316 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.852 10.295 3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.461 9.497 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.165 8.592 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.837 8.147 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.279 7.560 1.275 1.00 0.00 H new ATOM 738 N LYS A 46 9.257 11.403 -1.007 1.00 0.00 N ATOM 739 CA LYS A 46 9.456 12.406 -2.098 1.00 0.00 C ATOM 740 C LYS A 46 8.159 13.203 -2.300 1.00 0.00 C ATOM 741 O LYS A 46 8.182 14.336 -2.745 1.00 0.00 O ATOM 742 CB LYS A 46 9.816 11.684 -3.401 1.00 0.00 C ATOM 743 CG LYS A 46 10.770 12.553 -4.233 1.00 0.00 C ATOM 744 CD LYS A 46 12.216 12.060 -4.063 1.00 0.00 C ATOM 745 CE LYS A 46 13.022 13.055 -3.219 1.00 0.00 C ATOM 746 NZ LYS A 46 13.422 12.406 -1.937 1.00 0.00 N ATOM 0 H LYS A 46 9.365 10.429 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 46 10.264 13.084 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.284 10.725 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.912 11.472 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.486 12.515 -5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.693 13.594 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.220 11.081 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.684 11.939 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.907 13.380 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.426 13.945 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.969 13.079 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.571 12.117 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.006 11.569 -2.139 1.00 0.00 H new ATOM 760 N TYR A 47 7.033 12.616 -1.975 1.00 0.00 N ATOM 761 CA TYR A 47 5.732 13.325 -2.143 1.00 0.00 C ATOM 762 C TYR A 47 5.222 13.795 -0.774 1.00 0.00 C ATOM 763 O TYR A 47 5.097 14.978 -0.524 1.00 0.00 O ATOM 764 CB TYR A 47 4.712 12.370 -2.767 1.00 0.00 C ATOM 765 CG TYR A 47 5.105 12.070 -4.196 1.00 0.00 C ATOM 766 CD1 TYR A 47 6.237 11.288 -4.464 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.338 12.575 -5.254 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.599 11.012 -5.787 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.702 12.298 -6.576 1.00 0.00 C ATOM 770 CZ TYR A 47 5.833 11.517 -6.844 1.00 0.00 C ATOM 771 OH TYR A 47 6.192 11.244 -8.147 1.00 0.00 O ATOM 0 H TYR A 47 6.962 11.671 -1.599 1.00 0.00 H new ATOM 0 HA TYR A 47 5.870 14.189 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.664 11.446 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.717 12.815 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.830 10.899 -3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.466 13.178 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.471 10.408 -5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.110 12.687 -7.391 1.00 0.00 H new ATOM 0 HH TYR A 47 5.554 11.669 -8.758 1.00 0.00 H new ATOM 781 N PHE A 48 4.923 12.873 0.109 1.00 0.00 N ATOM 782 CA PHE A 48 4.416 13.256 1.461 1.00 0.00 C ATOM 783 C PHE A 48 5.525 13.073 2.497 1.00 0.00 C ATOM 784 O PHE A 48 6.663 12.809 2.159 1.00 0.00 O ATOM 785 CB PHE A 48 3.220 12.372 1.827 1.00 0.00 C ATOM 786 CG PHE A 48 2.107 12.607 0.835 1.00 0.00 C ATOM 787 CD1 PHE A 48 2.242 12.144 -0.477 1.00 0.00 C ATOM 788 CD2 PHE A 48 0.948 13.294 1.221 1.00 0.00 C ATOM 789 CE1 PHE A 48 1.220 12.368 -1.405 1.00 0.00 C ATOM 790 CE2 PHE A 48 -0.075 13.519 0.290 1.00 0.00 C ATOM 791 CZ PHE A 48 0.062 13.057 -1.022 1.00 0.00 C ATOM 0 H PHE A 48 5.009 11.869 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 48 4.105 14.301 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.513 11.322 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.878 12.602 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.135 11.614 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.843 13.650 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.324 12.009 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.968 14.049 0.586 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.725 13.231 -1.741 1.00 0.00 H new ATOM 801 N LYS A 49 5.197 13.216 3.754 1.00 0.00 N ATOM 802 CA LYS A 49 6.223 13.056 4.825 1.00 0.00 C ATOM 803 C LYS A 49 5.592 12.361 6.032 1.00 0.00 C ATOM 804 O LYS A 49 4.406 12.482 6.278 1.00 0.00 O ATOM 805 CB LYS A 49 6.749 14.433 5.235 1.00 0.00 C ATOM 806 CG LYS A 49 7.746 14.925 4.185 1.00 0.00 C ATOM 807 CD LYS A 49 8.194 16.347 4.528 1.00 0.00 C ATOM 808 CE LYS A 49 8.503 17.117 3.239 1.00 0.00 C ATOM 809 NZ LYS A 49 7.381 18.054 2.940 1.00 0.00 N ATOM 0 H LYS A 49 4.258 13.438 4.086 1.00 0.00 H new ATOM 0 HA LYS A 49 7.051 12.451 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.923 15.138 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.230 14.376 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.609 14.260 4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.287 14.906 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.413 16.859 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.078 16.316 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.435 17.671 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.641 16.422 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.589 18.577 2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.501 17.514 2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.270 18.725 3.727 1.00 0.00 H new ATOM 823 N HIS A 50 6.377 11.625 6.779 1.00 0.00 N ATOM 824 CA HIS A 50 5.835 10.902 7.972 1.00 0.00 C ATOM 825 C HIS A 50 4.701 9.964 7.543 1.00 0.00 C ATOM 826 O HIS A 50 3.825 9.641 8.322 1.00 0.00 O ATOM 827 CB HIS A 50 5.303 11.914 8.990 1.00 0.00 C ATOM 828 CG HIS A 50 6.456 12.538 9.728 1.00 0.00 C ATOM 829 ND1 HIS A 50 6.377 12.875 11.070 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.721 12.890 9.328 1.00 0.00 C ATOM 831 CE1 HIS A 50 7.561 13.403 11.426 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.417 13.437 10.402 1.00 0.00 N ATOM 0 H HIS A 50 7.375 11.493 6.613 1.00 0.00 H new ATOM 0 HA HIS A 50 6.634 10.316 8.426 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.722 12.685 8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.632 11.420 9.693 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.116 12.762 8.331 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.792 13.757 12.420 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.375 13.788 10.406 1.00 0.00 H new ATOM 840 N SER A 51 4.715 9.523 6.308 1.00 0.00 N ATOM 841 CA SER A 51 3.646 8.603 5.819 1.00 0.00 C ATOM 842 C SER A 51 4.231 7.196 5.680 1.00 0.00 C ATOM 843 O SER A 51 5.391 7.033 5.352 1.00 0.00 O ATOM 844 CB SER A 51 3.138 9.094 4.462 1.00 0.00 C ATOM 845 OG SER A 51 2.351 10.262 4.652 1.00 0.00 O ATOM 0 H SER A 51 5.425 9.763 5.616 1.00 0.00 H new ATOM 0 HA SER A 51 2.815 8.584 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.978 9.311 3.802 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.546 8.317 3.979 1.00 0.00 H new ATOM 0 HG SER A 51 2.025 10.581 3.785 1.00 0.00 H new ATOM 851 N ASN A 52 3.445 6.176 5.936 1.00 0.00 N ATOM 852 CA ASN A 52 3.973 4.782 5.829 1.00 0.00 C ATOM 853 C ASN A 52 2.980 3.882 5.085 1.00 0.00 C ATOM 854 O ASN A 52 1.879 4.284 4.740 1.00 0.00 O ATOM 855 CB ASN A 52 4.219 4.220 7.231 1.00 0.00 C ATOM 856 CG ASN A 52 5.503 4.822 7.806 1.00 0.00 C ATOM 857 OD1 ASN A 52 5.480 5.452 8.844 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.631 4.655 7.170 1.00 0.00 N ATOM 0 H ASN A 52 2.466 6.250 6.213 1.00 0.00 H new ATOM 0 HA ASN A 52 4.908 4.806 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.374 4.451 7.880 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.301 3.134 7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.492 5.053 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.651 4.126 6.298 1.00 0.00 H new ATOM 865 N PHE A 53 3.374 2.659 4.839 1.00 0.00 N ATOM 866 CA PHE A 53 2.490 1.696 4.115 1.00 0.00 C ATOM 867 C PHE A 53 1.169 1.517 4.862 1.00 0.00 C ATOM 868 O PHE A 53 0.156 1.208 4.270 1.00 0.00 O ATOM 869 CB PHE A 53 3.188 0.335 4.006 1.00 0.00 C ATOM 870 CG PHE A 53 3.742 -0.077 5.354 1.00 0.00 C ATOM 871 CD1 PHE A 53 2.888 -0.601 6.331 1.00 0.00 C ATOM 872 CD2 PHE A 53 5.109 0.063 5.620 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.401 -0.985 7.576 1.00 0.00 C ATOM 874 CE2 PHE A 53 5.623 -0.320 6.866 1.00 0.00 C ATOM 875 CZ PHE A 53 4.770 -0.845 7.843 1.00 0.00 C ATOM 0 H PHE A 53 4.282 2.282 5.112 1.00 0.00 H new ATOM 0 HA PHE A 53 2.289 2.093 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.483 -0.416 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.994 0.389 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.833 -0.709 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.768 0.466 4.865 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.742 -1.389 8.330 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.677 -0.210 7.072 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.166 -1.142 8.803 1.00 0.00 H new ATOM 885 N ALA A 54 1.177 1.689 6.156 1.00 0.00 N ATOM 886 CA ALA A 54 -0.077 1.517 6.949 1.00 0.00 C ATOM 887 C ALA A 54 -1.127 2.543 6.511 1.00 0.00 C ATOM 888 O ALA A 54 -2.301 2.235 6.418 1.00 0.00 O ATOM 889 CB ALA A 54 0.230 1.717 8.435 1.00 0.00 C ATOM 0 H ALA A 54 2.001 1.942 6.701 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.466 0.513 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.684 1.592 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.967 0.981 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.626 2.720 8.593 1.00 0.00 H new ATOM 895 N SER A 55 -0.716 3.759 6.252 1.00 0.00 N ATOM 896 CA SER A 55 -1.693 4.810 5.834 1.00 0.00 C ATOM 897 C SER A 55 -2.120 4.588 4.381 1.00 0.00 C ATOM 898 O SER A 55 -3.255 4.834 4.019 1.00 0.00 O ATOM 899 CB SER A 55 -1.048 6.191 5.967 1.00 0.00 C ATOM 900 OG SER A 55 -1.349 6.728 7.248 1.00 0.00 O ATOM 0 H SER A 55 0.254 4.069 6.312 1.00 0.00 H new ATOM 0 HA SER A 55 -2.571 4.750 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.031 6.115 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.418 6.855 5.186 1.00 0.00 H new ATOM 0 HG SER A 55 -0.936 7.612 7.337 1.00 0.00 H new ATOM 906 N PHE A 56 -1.219 4.139 3.545 1.00 0.00 N ATOM 907 CA PHE A 56 -1.574 3.917 2.107 1.00 0.00 C ATOM 908 C PHE A 56 -2.487 2.690 1.957 1.00 0.00 C ATOM 909 O PHE A 56 -3.235 2.584 1.003 1.00 0.00 O ATOM 910 CB PHE A 56 -0.294 3.710 1.296 1.00 0.00 C ATOM 911 CG PHE A 56 -0.539 4.126 -0.134 1.00 0.00 C ATOM 912 CD1 PHE A 56 -1.136 3.227 -1.018 1.00 0.00 C ATOM 913 CD2 PHE A 56 -0.173 5.403 -0.574 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.371 3.599 -2.346 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.408 5.778 -1.904 1.00 0.00 C ATOM 916 CZ PHE A 56 -1.007 4.875 -2.790 1.00 0.00 C ATOM 0 H PHE A 56 -0.255 3.916 3.793 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.108 4.792 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.520 4.296 1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.011 2.664 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.417 2.242 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.290 6.099 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.833 2.901 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.127 6.763 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.188 5.163 -3.815 1.00 0.00 H new ATOM 926 N VAL A 57 -2.434 1.768 2.885 1.00 0.00 N ATOM 927 CA VAL A 57 -3.298 0.549 2.789 1.00 0.00 C ATOM 928 C VAL A 57 -4.702 0.873 3.300 1.00 0.00 C ATOM 929 O VAL A 57 -5.690 0.503 2.694 1.00 0.00 O ATOM 930 CB VAL A 57 -2.686 -0.579 3.629 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.520 -1.855 3.476 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.256 -0.851 3.149 1.00 0.00 C ATOM 0 H VAL A 57 -1.830 1.806 3.706 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.361 0.229 1.749 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.675 -0.279 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.079 -2.652 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.539 -1.667 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.536 -2.156 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.819 -1.652 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.274 -1.147 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.657 0.053 3.261 1.00 0.00 H new ATOM 942 N ARG A 58 -4.799 1.561 4.410 1.00 0.00 N ATOM 943 CA ARG A 58 -6.140 1.910 4.961 1.00 0.00 C ATOM 944 C ARG A 58 -6.851 2.854 3.989 1.00 0.00 C ATOM 945 O ARG A 58 -8.059 2.816 3.843 1.00 0.00 O ATOM 946 CB ARG A 58 -5.975 2.595 6.323 1.00 0.00 C ATOM 947 CG ARG A 58 -7.093 2.141 7.269 1.00 0.00 C ATOM 948 CD ARG A 58 -7.591 3.334 8.090 1.00 0.00 C ATOM 949 NE ARG A 58 -8.865 2.967 8.769 1.00 0.00 N ATOM 950 CZ ARG A 58 -10.004 3.137 8.155 1.00 0.00 C ATOM 951 NH1 ARG A 58 -10.328 4.314 7.695 1.00 0.00 N ATOM 952 NH2 ARG A 58 -10.818 2.129 8.001 1.00 0.00 N ATOM 0 H ARG A 58 -4.006 1.895 4.957 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.732 1.004 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.003 2.349 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.005 3.678 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.916 1.713 6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.725 1.358 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.842 3.620 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.746 4.197 7.442 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.847 2.583 9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.691 5.102 7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.218 4.447 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.564 1.209 8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.708 2.261 7.521 1.00 0.00 H new ATOM 966 N GLN A 59 -6.105 3.697 3.318 1.00 0.00 N ATOM 967 CA GLN A 59 -6.727 4.644 2.347 1.00 0.00 C ATOM 968 C GLN A 59 -7.257 3.856 1.145 1.00 0.00 C ATOM 969 O GLN A 59 -8.359 4.085 0.681 1.00 0.00 O ATOM 970 CB GLN A 59 -5.680 5.656 1.865 1.00 0.00 C ATOM 971 CG GLN A 59 -5.349 6.644 2.988 1.00 0.00 C ATOM 972 CD GLN A 59 -6.536 7.583 3.217 1.00 0.00 C ATOM 973 OE1 GLN A 59 -7.416 7.290 4.002 1.00 0.00 O ATOM 974 NE2 GLN A 59 -6.597 8.710 2.561 1.00 0.00 N ATOM 0 H GLN A 59 -5.091 3.769 3.402 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.545 5.175 2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.776 5.134 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.056 6.194 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.119 6.102 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.462 7.221 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.859 8.957 1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.383 9.344 2.708 1.00 0.00 H new ATOM 983 N LEU A 60 -6.478 2.933 0.636 1.00 0.00 N ATOM 984 CA LEU A 60 -6.926 2.128 -0.543 1.00 0.00 C ATOM 985 C LEU A 60 -8.182 1.323 -0.188 1.00 0.00 C ATOM 986 O LEU A 60 -9.022 1.069 -1.031 1.00 0.00 O ATOM 987 CB LEU A 60 -5.818 1.156 -0.943 1.00 0.00 C ATOM 988 CG LEU A 60 -4.652 1.918 -1.568 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.477 0.959 -1.749 1.00 0.00 C ATOM 990 CD2 LEU A 60 -5.071 2.476 -2.931 1.00 0.00 C ATOM 0 H LEU A 60 -5.549 2.702 0.987 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.150 2.806 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.475 0.604 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.205 0.423 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.362 2.744 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.637 1.492 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.180 0.561 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.774 0.139 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.236 3.019 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.359 1.655 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.917 3.152 -2.803 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.302 0.903 1.046 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.487 0.092 1.457 1.00 0.00 C ATOM 1004 C ASN A 61 -10.711 0.992 1.639 1.00 0.00 C ATOM 1005 O ASN A 61 -11.836 0.553 1.485 1.00 0.00 O ATOM 1006 CB ASN A 61 -9.184 -0.614 2.780 1.00 0.00 C ATOM 1007 CG ASN A 61 -8.580 -1.991 2.503 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -7.487 -2.094 1.980 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -9.248 -3.062 2.832 1.00 0.00 N ATOM 0 H ASN A 61 -7.628 1.088 1.789 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.697 -0.643 0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.492 -0.015 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.098 -0.718 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.853 -3.985 2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.165 -2.977 3.271 1.00 0.00 H new ATOM 1016 N MET A 62 -10.505 2.238 1.978 1.00 0.00 N ATOM 1017 CA MET A 62 -11.662 3.159 2.187 1.00 0.00 C ATOM 1018 C MET A 62 -12.178 3.681 0.843 1.00 0.00 C ATOM 1019 O MET A 62 -13.330 4.057 0.722 1.00 0.00 O ATOM 1020 CB MET A 62 -11.224 4.342 3.052 1.00 0.00 C ATOM 1021 CG MET A 62 -12.423 4.854 3.857 1.00 0.00 C ATOM 1022 SD MET A 62 -12.288 6.646 4.078 1.00 0.00 S ATOM 1023 CE MET A 62 -11.646 6.618 5.771 1.00 0.00 C ATOM 0 H MET A 62 -9.586 2.658 2.119 1.00 0.00 H new ATOM 0 HA MET A 62 -12.461 2.610 2.686 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.423 4.038 3.725 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.827 5.139 2.424 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.351 4.610 3.340 1.00 0.00 H new ATOM 0 HG3 MET A 62 -12.460 4.360 4.828 1.00 0.00 H new ATOM 0 HE1 MET A 62 -11.553 7.639 6.142 1.00 0.00 H new ATOM 0 HE2 MET A 62 -12.330 6.061 6.411 1.00 0.00 H new ATOM 0 HE3 MET A 62 -10.668 6.138 5.781 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.341 3.719 -0.163 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.791 4.233 -1.492 1.00 0.00 C ATOM 1035 C TYR A 63 -12.435 3.106 -2.305 1.00 0.00 C ATOM 1036 O TYR A 63 -13.354 3.335 -3.069 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.591 4.798 -2.254 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.197 6.126 -1.649 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.128 7.170 -1.585 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.902 6.312 -1.154 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.763 8.401 -1.023 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.536 7.541 -0.592 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.466 8.586 -0.527 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.105 9.799 0.027 1.00 0.00 O ATOM 0 H TYR A 63 -10.368 3.417 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.528 5.021 -1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.754 4.101 -2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.841 4.925 -3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.127 7.027 -1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.184 5.507 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.481 9.206 -0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.536 7.683 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.272 9.693 0.532 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.966 1.892 -2.148 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.559 0.753 -2.915 1.00 0.00 C ATOM 1056 C GLY A 64 -11.476 -0.277 -3.243 1.00 0.00 C ATOM 1057 O GLY A 64 -11.756 -1.451 -3.400 1.00 0.00 O ATOM 0 H GLY A 64 -11.200 1.641 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.353 0.285 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.013 1.121 -3.835 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.244 0.152 -3.349 1.00 0.00 N ATOM 1062 CA TRP A 65 -9.134 -0.797 -3.668 1.00 0.00 C ATOM 1063 C TRP A 65 -9.055 -1.878 -2.585 1.00 0.00 C ATOM 1064 O TRP A 65 -8.743 -1.598 -1.441 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.815 -0.027 -3.707 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.792 0.875 -4.898 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -8.270 2.139 -4.922 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.268 0.609 -6.232 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -8.073 2.669 -6.184 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.459 1.764 -7.027 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.653 -0.509 -6.823 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -7.054 1.809 -8.362 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.244 -0.468 -8.166 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.444 0.690 -8.933 1.00 0.00 C ATOM 0 H TRP A 65 -9.958 1.123 -3.228 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.320 -1.265 -4.635 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.697 0.557 -2.794 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.978 -0.723 -3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.731 2.652 -4.091 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -8.347 3.612 -6.458 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.494 -1.405 -6.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.211 2.702 -8.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.773 -1.332 -8.611 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.126 0.716 -9.965 1.00 0.00 H new ATOM 1085 N HIS A 66 -9.337 -3.106 -2.936 1.00 0.00 N ATOM 1086 CA HIS A 66 -9.285 -4.210 -1.929 1.00 0.00 C ATOM 1087 C HIS A 66 -8.034 -5.061 -2.164 1.00 0.00 C ATOM 1088 O HIS A 66 -7.689 -5.372 -3.288 1.00 0.00 O ATOM 1089 CB HIS A 66 -10.531 -5.092 -2.063 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.771 -4.234 -2.070 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -12.148 -3.471 -0.976 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.727 -4.013 -3.030 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -13.286 -2.831 -1.302 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.683 -3.127 -2.543 1.00 0.00 N ATOM 0 H HIS A 66 -9.602 -3.393 -3.878 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.251 -3.780 -0.928 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.477 -5.675 -2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.575 -5.802 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.736 -4.459 -4.014 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.814 -2.160 -0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.509 -2.778 -3.029 1.00 0.00 H new ATOM 1102 N LYS A 67 -7.358 -5.444 -1.109 1.00 0.00 N ATOM 1103 CA LYS A 67 -6.128 -6.281 -1.265 1.00 0.00 C ATOM 1104 C LYS A 67 -6.479 -7.756 -1.035 1.00 0.00 C ATOM 1105 O LYS A 67 -7.572 -8.082 -0.615 1.00 0.00 O ATOM 1106 CB LYS A 67 -5.052 -5.833 -0.257 1.00 0.00 C ATOM 1107 CG LYS A 67 -5.531 -6.044 1.187 1.00 0.00 C ATOM 1108 CD LYS A 67 -4.704 -5.168 2.131 1.00 0.00 C ATOM 1109 CE LYS A 67 -3.358 -5.841 2.415 1.00 0.00 C ATOM 1110 NZ LYS A 67 -2.317 -5.275 1.509 1.00 0.00 N ATOM 0 H LYS A 67 -7.605 -5.213 -0.147 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.736 -6.157 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.134 -6.395 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.815 -4.781 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.588 -5.792 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.431 -7.093 1.465 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.544 -4.187 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.246 -5.009 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.074 -5.684 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.439 -6.918 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.375 -5.431 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.371 -5.744 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.478 -4.254 1.390 1.00 0.00 H new ATOM 1124 N VAL A 68 -5.557 -8.644 -1.310 1.00 0.00 N ATOM 1125 CA VAL A 68 -5.830 -10.097 -1.112 1.00 0.00 C ATOM 1126 C VAL A 68 -5.985 -10.385 0.382 1.00 0.00 C ATOM 1127 O VAL A 68 -5.453 -9.675 1.216 1.00 0.00 O ATOM 1128 CB VAL A 68 -4.669 -10.924 -1.671 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -4.613 -10.782 -3.200 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -3.355 -10.434 -1.054 1.00 0.00 C ATOM 0 H VAL A 68 -4.626 -8.423 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.748 -10.365 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.819 -11.974 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.785 -11.373 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.548 -11.138 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.467 -9.734 -3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.526 -11.021 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.206 -9.383 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.396 -10.549 0.029 1.00 0.00 H new ATOM 1140 N GLN A 69 -6.708 -11.419 0.722 1.00 0.00 N ATOM 1141 CA GLN A 69 -6.903 -11.764 2.158 1.00 0.00 C ATOM 1142 C GLN A 69 -5.947 -12.921 2.532 1.00 0.00 C ATOM 1143 O GLN A 69 -4.744 -12.756 2.464 1.00 0.00 O ATOM 1144 CB GLN A 69 -8.376 -12.139 2.384 1.00 0.00 C ATOM 1145 CG GLN A 69 -9.253 -10.897 2.228 1.00 0.00 C ATOM 1146 CD GLN A 69 -9.742 -10.794 0.781 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -9.551 -9.783 0.133 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -10.369 -11.804 0.243 1.00 0.00 N ATOM 0 H GLN A 69 -7.174 -12.042 0.062 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.669 -10.915 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.681 -12.903 1.669 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -8.505 -12.564 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.104 -10.952 2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.688 -10.004 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.530 -12.652 0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.699 -11.745 -0.721 1.00 0.00 H new ATOM 1157 N ASP A 70 -6.446 -14.083 2.921 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.534 -15.210 3.284 1.00 0.00 C ATOM 1159 C ASP A 70 -6.366 -16.427 3.702 1.00 0.00 C ATOM 1160 O ASP A 70 -6.009 -17.147 4.615 1.00 0.00 O ATOM 1161 CB ASP A 70 -4.628 -14.789 4.448 1.00 0.00 C ATOM 1162 CG ASP A 70 -5.487 -14.248 5.594 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -6.283 -15.006 6.122 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -5.334 -13.082 5.924 1.00 0.00 O ATOM 0 H ASP A 70 -7.442 -14.290 3.000 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.919 -15.466 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.040 -15.640 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.923 -14.027 4.117 1.00 0.00 H new ATOM 1169 N VAL A 71 -7.473 -16.661 3.041 1.00 0.00 N ATOM 1170 CA VAL A 71 -8.329 -17.831 3.402 1.00 0.00 C ATOM 1171 C VAL A 71 -9.035 -18.355 2.150 1.00 0.00 C ATOM 1172 O VAL A 71 -8.895 -19.508 1.785 1.00 0.00 O ATOM 1173 CB VAL A 71 -9.377 -17.404 4.433 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -10.103 -18.640 4.967 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -8.692 -16.681 5.597 1.00 0.00 C ATOM 0 H VAL A 71 -7.820 -16.093 2.268 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.703 -18.617 3.824 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.093 -16.734 3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.849 -18.335 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.595 -19.157 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.383 -19.310 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.441 -16.379 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.973 -17.351 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.174 -15.798 5.223 1.00 0.00 H new ATOM 1185 N LYS A 72 -9.794 -17.516 1.494 1.00 0.00 N ATOM 1186 CA LYS A 72 -10.516 -17.956 0.265 1.00 0.00 C ATOM 1187 C LYS A 72 -9.519 -18.100 -0.885 1.00 0.00 C ATOM 1188 O LYS A 72 -9.376 -19.162 -1.462 1.00 0.00 O ATOM 1189 CB LYS A 72 -11.576 -16.916 -0.105 1.00 0.00 C ATOM 1190 CG LYS A 72 -12.533 -16.726 1.071 1.00 0.00 C ATOM 1191 CD LYS A 72 -13.904 -16.297 0.547 1.00 0.00 C ATOM 1192 CE LYS A 72 -14.636 -15.475 1.614 1.00 0.00 C ATOM 1193 NZ LYS A 72 -15.738 -16.289 2.200 1.00 0.00 N ATOM 0 H LYS A 72 -9.945 -16.542 1.758 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.999 -18.915 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -11.099 -15.969 -0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.127 -17.240 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.622 -17.654 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.141 -15.973 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.787 -15.707 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.494 -17.175 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.939 -15.171 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.038 -14.563 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.235 -15.731 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.407 -16.558 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.342 -17.147 2.635 1.00 0.00 H new ATOM 1207 N SER A 73 -8.829 -17.039 -1.219 1.00 0.00 N ATOM 1208 CA SER A 73 -7.833 -17.105 -2.328 1.00 0.00 C ATOM 1209 C SER A 73 -6.468 -17.498 -1.756 1.00 0.00 C ATOM 1210 O SER A 73 -5.498 -16.768 -1.871 1.00 0.00 O ATOM 1211 CB SER A 73 -7.740 -15.737 -3.011 1.00 0.00 C ATOM 1212 OG SER A 73 -9.040 -15.170 -3.105 1.00 0.00 O ATOM 0 H SER A 73 -8.914 -16.128 -0.769 1.00 0.00 H new ATOM 0 HA SER A 73 -8.144 -17.849 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.083 -15.078 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.304 -15.842 -4.004 1.00 0.00 H new ATOM 0 HG SER A 73 -8.984 -14.294 -3.540 1.00 0.00 H new ATOM 1218 N GLY A 74 -6.387 -18.649 -1.139 1.00 0.00 N ATOM 1219 CA GLY A 74 -5.094 -19.104 -0.554 1.00 0.00 C ATOM 1220 C GLY A 74 -5.347 -20.253 0.423 1.00 0.00 C ATOM 1221 O GLY A 74 -5.813 -20.048 1.528 1.00 0.00 O ATOM 0 H GLY A 74 -7.166 -19.295 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.420 -19.429 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.605 -18.277 -0.039 1.00 0.00 H new ATOM 1225 N SER A 75 -5.037 -21.461 0.024 1.00 0.00 N ATOM 1226 CA SER A 75 -5.249 -22.630 0.926 1.00 0.00 C ATOM 1227 C SER A 75 -4.076 -22.724 1.904 1.00 0.00 C ATOM 1228 O SER A 75 -4.253 -22.999 3.075 1.00 0.00 O ATOM 1229 CB SER A 75 -5.335 -23.911 0.096 1.00 0.00 C ATOM 1230 OG SER A 75 -4.401 -23.842 -0.974 1.00 0.00 O ATOM 0 H SER A 75 -4.645 -21.687 -0.890 1.00 0.00 H new ATOM 0 HA SER A 75 -6.179 -22.504 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.125 -24.778 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.345 -24.037 -0.295 1.00 0.00 H new ATOM 0 HG SER A 75 -4.834 -23.452 -1.762 1.00 0.00 H new ATOM 1236 N MET A 76 -2.881 -22.487 1.426 1.00 0.00 N ATOM 1237 CA MET A 76 -1.682 -22.546 2.321 1.00 0.00 C ATOM 1238 C MET A 76 -0.984 -21.174 2.371 1.00 0.00 C ATOM 1239 O MET A 76 -0.038 -20.988 3.113 1.00 0.00 O ATOM 1240 CB MET A 76 -0.684 -23.620 1.837 1.00 0.00 C ATOM 1241 CG MET A 76 -0.693 -23.748 0.304 1.00 0.00 C ATOM 1242 SD MET A 76 0.012 -22.257 -0.442 1.00 0.00 S ATOM 1243 CE MET A 76 0.104 -22.877 -2.140 1.00 0.00 C ATOM 0 H MET A 76 -2.682 -22.255 0.453 1.00 0.00 H new ATOM 0 HA MET A 76 -2.022 -22.813 3.321 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.320 -23.364 2.176 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.937 -24.581 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.119 -24.624 -0.000 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.713 -23.896 -0.051 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.519 -22.105 -2.787 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.744 -23.759 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.895 -23.141 -2.486 1.00 0.00 H new ATOM 1253 N LEU A 77 -1.443 -20.211 1.600 1.00 0.00 N ATOM 1254 CA LEU A 77 -0.808 -18.858 1.621 1.00 0.00 C ATOM 1255 C LEU A 77 -1.435 -18.031 2.749 1.00 0.00 C ATOM 1256 O LEU A 77 -2.641 -17.884 2.821 1.00 0.00 O ATOM 1257 CB LEU A 77 -1.050 -18.164 0.271 1.00 0.00 C ATOM 1258 CG LEU A 77 0.251 -17.535 -0.236 1.00 0.00 C ATOM 1259 CD1 LEU A 77 0.113 -17.211 -1.725 1.00 0.00 C ATOM 1260 CD2 LEU A 77 0.532 -16.246 0.539 1.00 0.00 C ATOM 0 H LEU A 77 -2.230 -20.308 0.959 1.00 0.00 H new ATOM 0 HA LEU A 77 0.265 -18.951 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.422 -18.885 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.816 -17.397 0.380 1.00 0.00 H new ATOM 0 HG LEU A 77 1.073 -18.235 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.038 -16.763 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.088 -18.128 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.710 -16.511 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.458 -15.799 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.291 -15.546 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.629 -16.474 1.601 1.00 0.00 H new ATOM 1272 N SER A 78 -0.627 -17.497 3.633 1.00 0.00 N ATOM 1273 CA SER A 78 -1.177 -16.686 4.759 1.00 0.00 C ATOM 1274 C SER A 78 -0.589 -15.273 4.715 1.00 0.00 C ATOM 1275 O SER A 78 -1.309 -14.293 4.760 1.00 0.00 O ATOM 1276 CB SER A 78 -0.814 -17.350 6.088 1.00 0.00 C ATOM 1277 OG SER A 78 0.574 -17.173 6.338 1.00 0.00 O ATOM 0 H SER A 78 0.389 -17.589 3.622 1.00 0.00 H new ATOM 0 HA SER A 78 -2.261 -16.626 4.665 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.399 -16.914 6.897 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.057 -18.412 6.055 1.00 0.00 H new ATOM 0 HG SER A 78 0.809 -17.596 7.190 1.00 0.00 H new ATOM 1283 N ASN A 79 0.712 -15.163 4.622 1.00 0.00 N ATOM 1284 CA ASN A 79 1.352 -13.816 4.569 1.00 0.00 C ATOM 1285 C ASN A 79 2.202 -13.713 3.303 1.00 0.00 C ATOM 1286 O ASN A 79 2.481 -14.703 2.653 1.00 0.00 O ATOM 1287 CB ASN A 79 2.243 -13.619 5.798 1.00 0.00 C ATOM 1288 CG ASN A 79 1.375 -13.280 7.012 1.00 0.00 C ATOM 1289 OD1 ASN A 79 1.153 -14.114 7.867 1.00 0.00 O ATOM 1290 ND2 ASN A 79 0.872 -12.081 7.126 1.00 0.00 N ATOM 0 H ASN A 79 1.359 -15.950 4.580 1.00 0.00 H new ATOM 0 HA ASN A 79 0.580 -13.047 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.819 -14.524 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.960 -12.818 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.293 -11.845 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.058 -11.380 6.409 1.00 0.00 H new ATOM 1297 N ASN A 80 2.615 -12.523 2.950 1.00 0.00 N ATOM 1298 CA ASN A 80 3.448 -12.347 1.727 1.00 0.00 C ATOM 1299 C ASN A 80 4.050 -10.941 1.720 1.00 0.00 C ATOM 1300 O ASN A 80 3.340 -9.953 1.688 1.00 0.00 O ATOM 1301 CB ASN A 80 2.577 -12.540 0.484 1.00 0.00 C ATOM 1302 CG ASN A 80 1.379 -11.590 0.546 1.00 0.00 C ATOM 1303 OD1 ASN A 80 0.473 -11.786 1.332 1.00 0.00 O ATOM 1304 ND2 ASN A 80 1.337 -10.557 -0.251 1.00 0.00 N ATOM 0 H ASN A 80 2.409 -11.664 3.459 1.00 0.00 H new ATOM 0 HA ASN A 80 4.251 -13.084 1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.161 -12.347 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.233 -13.573 0.425 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.545 -9.916 -0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.097 -10.391 -0.911 1.00 0.00 H new ATOM 1311 N ASP A 81 5.353 -10.849 1.752 1.00 0.00 N ATOM 1312 CA ASP A 81 6.017 -9.514 1.754 1.00 0.00 C ATOM 1313 C ASP A 81 6.803 -9.330 0.454 1.00 0.00 C ATOM 1314 O ASP A 81 7.016 -10.272 -0.281 1.00 0.00 O ATOM 1315 CB ASP A 81 6.973 -9.424 2.945 1.00 0.00 C ATOM 1316 CG ASP A 81 7.947 -10.605 2.911 1.00 0.00 C ATOM 1317 OD1 ASP A 81 7.542 -11.695 3.282 1.00 0.00 O ATOM 1318 OD2 ASP A 81 9.083 -10.400 2.515 1.00 0.00 O ATOM 0 H ASP A 81 5.989 -11.646 1.777 1.00 0.00 H new ATOM 0 HA ASP A 81 5.261 -8.733 1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.524 -8.484 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.410 -9.431 3.878 1.00 0.00 H new ATOM 1323 N SER A 82 7.234 -8.112 0.184 1.00 0.00 N ATOM 1324 CA SER A 82 8.023 -7.790 -1.060 1.00 0.00 C ATOM 1325 C SER A 82 7.074 -7.582 -2.244 1.00 0.00 C ATOM 1326 O SER A 82 6.957 -6.486 -2.763 1.00 0.00 O ATOM 1327 CB SER A 82 9.030 -8.900 -1.393 1.00 0.00 C ATOM 1328 OG SER A 82 9.598 -9.396 -0.188 1.00 0.00 O ATOM 0 H SER A 82 7.067 -7.308 0.790 1.00 0.00 H new ATOM 0 HA SER A 82 8.581 -6.873 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.534 -9.706 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.813 -8.513 -2.045 1.00 0.00 H new ATOM 0 HG SER A 82 10.240 -10.106 -0.397 1.00 0.00 H new ATOM 1334 N ARG A 83 6.402 -8.616 -2.677 1.00 0.00 N ATOM 1335 CA ARG A 83 5.464 -8.476 -3.829 1.00 0.00 C ATOM 1336 C ARG A 83 4.043 -8.238 -3.310 1.00 0.00 C ATOM 1337 O ARG A 83 3.438 -9.104 -2.707 1.00 0.00 O ATOM 1338 CB ARG A 83 5.501 -9.751 -4.678 1.00 0.00 C ATOM 1339 CG ARG A 83 5.164 -10.976 -3.807 1.00 0.00 C ATOM 1340 CD ARG A 83 3.884 -11.651 -4.316 1.00 0.00 C ATOM 1341 NE ARG A 83 4.133 -13.109 -4.500 1.00 0.00 N ATOM 1342 CZ ARG A 83 3.129 -13.930 -4.633 1.00 0.00 C ATOM 1343 NH1 ARG A 83 2.544 -14.420 -3.574 1.00 0.00 N ATOM 1344 NH2 ARG A 83 2.711 -14.264 -5.823 1.00 0.00 N ATOM 0 H ARG A 83 6.463 -9.554 -2.281 1.00 0.00 H new ATOM 0 HA ARG A 83 5.767 -7.627 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.788 -9.672 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.488 -9.872 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.991 -11.685 -3.828 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.034 -10.669 -2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.071 -11.496 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.573 -11.202 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 83 5.089 -13.464 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.872 -14.160 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.758 -15.062 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.170 -13.883 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.925 -14.906 -5.926 1.00 0.00 H new ATOM 1358 N TRP A 84 3.512 -7.065 -3.541 1.00 0.00 N ATOM 1359 CA TRP A 84 2.132 -6.751 -3.068 1.00 0.00 C ATOM 1360 C TRP A 84 1.189 -6.692 -4.271 1.00 0.00 C ATOM 1361 O TRP A 84 1.624 -6.677 -5.408 1.00 0.00 O ATOM 1362 CB TRP A 84 2.138 -5.401 -2.347 1.00 0.00 C ATOM 1363 CG TRP A 84 2.907 -5.525 -1.071 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.215 -5.862 -0.983 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.444 -5.326 0.296 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.583 -5.883 0.351 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.526 -5.558 1.177 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.201 -4.968 0.853 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.382 -5.442 2.560 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 1.053 -4.849 2.244 1.00 0.00 C ATOM 1371 CH2 TRP A 84 2.142 -5.086 3.095 1.00 0.00 C ATOM 0 H TRP A 84 3.978 -6.307 -4.040 1.00 0.00 H new ATOM 0 HA TRP A 84 1.792 -7.524 -2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.587 -4.638 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.117 -5.082 -2.140 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.865 -6.079 -1.818 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.520 -6.111 0.683 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.356 -4.784 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.223 -5.626 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 0.096 -4.574 2.661 1.00 0.00 H new ATOM 0 HH2 TRP A 84 2.022 -4.993 4.164 1.00 0.00 H new ATOM 1382 N GLU A 85 -0.097 -6.667 -4.030 1.00 0.00 N ATOM 1383 CA GLU A 85 -1.072 -6.617 -5.160 1.00 0.00 C ATOM 1384 C GLU A 85 -2.375 -5.966 -4.692 1.00 0.00 C ATOM 1385 O GLU A 85 -3.021 -6.440 -3.777 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.361 -8.042 -5.639 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.441 -8.389 -6.809 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.119 -9.430 -7.704 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.308 -9.293 -7.942 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -0.438 -10.346 -8.135 1.00 0.00 O ATOM 0 H GLU A 85 -0.514 -6.679 -3.099 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.650 -6.030 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.209 -8.748 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.403 -8.129 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.214 -7.492 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.507 -8.777 -6.437 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.771 -4.890 -5.324 1.00 0.00 N ATOM 1398 CA PHE A 86 -4.041 -4.208 -4.929 1.00 0.00 C ATOM 1399 C PHE A 86 -5.031 -4.321 -6.087 1.00 0.00 C ATOM 1400 O PHE A 86 -4.802 -3.790 -7.158 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.787 -2.720 -4.628 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.476 -2.521 -3.884 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -2.073 -3.426 -2.888 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -1.664 -1.425 -4.197 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.862 -3.231 -2.212 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -0.453 -1.231 -3.521 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.053 -2.134 -2.529 1.00 0.00 C ATOM 0 H PHE A 86 -2.269 -4.454 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.439 -4.682 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.767 -2.157 -5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.609 -2.322 -4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.697 -4.273 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.972 -0.727 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.553 -3.927 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.172 -0.385 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.881 -1.984 -2.008 1.00 0.00 H new ATOM 1417 N GLU A 87 -6.121 -5.018 -5.887 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.116 -5.175 -6.988 1.00 0.00 C ATOM 1419 C GLU A 87 -8.437 -4.483 -6.626 1.00 0.00 C ATOM 1420 O GLU A 87 -9.028 -4.745 -5.596 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.363 -6.669 -7.254 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.992 -7.337 -6.024 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.604 -8.817 -5.991 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.218 -9.585 -6.712 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -6.701 -9.155 -5.245 1.00 0.00 O ATOM 0 H GLU A 87 -6.363 -5.483 -5.012 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.717 -4.708 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.020 -6.787 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.422 -7.161 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.653 -6.841 -5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.077 -7.235 -6.057 1.00 0.00 H new ATOM 1432 N ASN A 88 -8.906 -3.622 -7.489 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.198 -2.921 -7.241 1.00 0.00 C ATOM 1434 C ASN A 88 -11.101 -3.163 -8.445 1.00 0.00 C ATOM 1435 O ASN A 88 -12.166 -3.743 -8.343 1.00 0.00 O ATOM 1436 CB ASN A 88 -9.959 -1.416 -7.087 1.00 0.00 C ATOM 1437 CG ASN A 88 -11.112 -0.788 -6.295 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -12.055 -1.461 -5.923 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -11.079 0.486 -6.021 1.00 0.00 N ATOM 0 H ASN A 88 -8.444 -3.372 -8.364 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.657 -3.299 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.014 -1.239 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.882 -0.948 -8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.842 0.915 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.290 1.054 -6.331 1.00 0.00 H new ATOM 1446 N GLU A 89 -10.660 -2.726 -9.591 1.00 0.00 N ATOM 1447 CA GLU A 89 -11.446 -2.920 -10.848 1.00 0.00 C ATOM 1448 C GLU A 89 -12.781 -2.179 -10.758 1.00 0.00 C ATOM 1449 O GLU A 89 -13.738 -2.547 -11.409 1.00 0.00 O ATOM 1450 CB GLU A 89 -11.709 -4.417 -11.070 1.00 0.00 C ATOM 1451 CG GLU A 89 -11.573 -4.748 -12.559 1.00 0.00 C ATOM 1452 CD GLU A 89 -12.590 -5.827 -12.939 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -13.742 -5.481 -13.143 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -12.199 -6.979 -13.020 1.00 0.00 O ATOM 0 H GLU A 89 -9.775 -2.235 -9.715 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.872 -2.521 -11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.003 -5.010 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.708 -4.677 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.737 -3.852 -13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.562 -5.094 -12.774 1.00 0.00 H new ATOM 1461 N ARG A 90 -12.850 -1.137 -9.965 1.00 0.00 N ATOM 1462 CA ARG A 90 -14.124 -0.365 -9.838 1.00 0.00 C ATOM 1463 C ARG A 90 -15.256 -1.298 -9.357 1.00 0.00 C ATOM 1464 O ARG A 90 -15.472 -1.440 -8.167 1.00 0.00 O ATOM 1465 CB ARG A 90 -14.465 0.270 -11.197 1.00 0.00 C ATOM 1466 CG ARG A 90 -15.783 1.045 -11.100 1.00 0.00 C ATOM 1467 CD ARG A 90 -15.709 2.298 -11.976 1.00 0.00 C ATOM 1468 NE ARG A 90 -14.627 3.191 -11.473 1.00 0.00 N ATOM 1469 CZ ARG A 90 -14.300 4.262 -12.145 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -13.790 4.150 -13.341 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -14.484 5.444 -11.622 1.00 0.00 N ATOM 0 H ARG A 90 -12.076 -0.788 -9.399 1.00 0.00 H new ATOM 0 HA ARG A 90 -14.009 0.430 -9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.662 0.940 -11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.545 -0.505 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.612 0.414 -11.420 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.977 1.324 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.514 2.020 -13.012 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -16.665 2.822 -11.961 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.142 2.966 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.647 3.227 -13.750 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.534 4.986 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.884 5.532 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.228 6.280 -12.148 1.00 0.00 H new ATOM 1485 N HIS A 91 -15.975 -1.930 -10.258 1.00 0.00 N ATOM 1486 CA HIS A 91 -17.077 -2.839 -9.834 1.00 0.00 C ATOM 1487 C HIS A 91 -17.111 -4.063 -10.750 1.00 0.00 C ATOM 1488 O HIS A 91 -17.217 -3.942 -11.957 1.00 0.00 O ATOM 1489 CB HIS A 91 -18.409 -2.095 -9.930 1.00 0.00 C ATOM 1490 CG HIS A 91 -19.462 -2.841 -9.158 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -20.440 -3.597 -9.785 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -19.706 -2.951 -7.812 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -21.221 -4.124 -8.824 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -20.818 -3.763 -7.603 1.00 0.00 N ATOM 0 H HIS A 91 -15.842 -1.852 -11.266 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.910 -3.161 -8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -18.302 -1.085 -9.535 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.709 -1.999 -10.974 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -19.124 -2.480 -7.034 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -22.071 -4.762 -9.017 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.235 -4.025 -6.710 1.00 0.00 H new ATOM 1502 N ALA A 92 -17.028 -5.240 -10.185 1.00 0.00 N ATOM 1503 CA ALA A 92 -17.061 -6.479 -11.015 1.00 0.00 C ATOM 1504 C ALA A 92 -18.063 -7.466 -10.413 1.00 0.00 C ATOM 1505 O ALA A 92 -18.786 -7.070 -9.514 1.00 0.00 O ATOM 1506 CB ALA A 92 -15.671 -7.120 -11.041 1.00 0.00 C ATOM 1507 OXT ALA A 92 -18.090 -8.601 -10.862 1.00 0.00 O ATOM 0 H ALA A 92 -16.939 -5.396 -9.181 1.00 0.00 H new ATOM 0 HA ALA A 92 -17.361 -6.225 -12.032 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.699 -8.025 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.955 -6.418 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.368 -7.374 -10.025 1.00 0.00 H new TER 1513 ALA A 92