USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.00186 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 130:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 1.28 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0273) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0.843) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 31 HIS : no HD1:sc= -0.672 X(o=-0.67,f=-1.1!) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 1.18 (180deg=1.09) USER MOD Single : A 35 ASN : amide:sc= -0.511! K(o=-0.51!,f=-2.5) USER MOD Single : A 38 ASN : amide:sc= -1.24! K(o=-1.2!,f=-0.028) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0372 (180deg=-0.315) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -1.98! (180deg=-3.51!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= 1.19 (180deg=1.03) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -25:sc= 0.0912 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0125) USER MOD Single : A 60 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4!) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.796) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.325 6.867 12.503 1.00 0.00 N ATOM 2 CA MET A 1 -8.089 6.111 12.209 1.00 0.00 C ATOM 3 C MET A 1 -8.423 4.913 11.336 1.00 0.00 C ATOM 4 O MET A 1 -9.378 4.185 11.606 1.00 0.00 O ATOM 5 CB MET A 1 -7.432 5.657 13.523 1.00 0.00 C ATOM 6 CG MET A 1 -5.990 5.170 13.386 1.00 0.00 C ATOM 7 SD MET A 1 -5.839 3.562 12.585 1.00 0.00 S ATOM 8 CE MET A 1 -4.061 3.347 12.591 1.00 0.00 C ATOM 0 H1 MET A 1 -9.212 7.383 13.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.509 7.543 11.735 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.125 6.207 12.583 1.00 0.00 H new ATOM 0 HA MET A 1 -7.387 6.750 11.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.454 6.487 14.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.032 4.855 13.954 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.421 5.904 12.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.539 5.116 14.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.808 2.394 12.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.595 4.158 12.032 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.697 3.358 13.618 1.00 0.00 H new ATOM 20 N ALA A 2 -7.649 4.725 10.281 1.00 0.00 N ATOM 21 CA ALA A 2 -7.873 3.634 9.353 1.00 0.00 C ATOM 22 C ALA A 2 -6.574 2.899 9.080 1.00 0.00 C ATOM 23 O ALA A 2 -5.510 3.517 9.001 1.00 0.00 O ATOM 24 CB ALA A 2 -8.461 4.168 8.060 1.00 0.00 C ATOM 0 H ALA A 2 -6.854 5.320 10.046 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.579 2.932 9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.627 3.343 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.410 4.663 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.770 4.883 7.614 1.00 0.00 H new ATOM 30 N SER A 3 -6.671 1.583 8.914 1.00 0.00 N ATOM 31 CA SER A 3 -5.507 0.727 8.711 1.00 0.00 C ATOM 32 C SER A 3 -4.769 1.062 7.413 1.00 0.00 C ATOM 33 O SER A 3 -3.680 0.543 7.165 1.00 0.00 O ATOM 34 CB SER A 3 -5.933 -0.743 8.713 1.00 0.00 C ATOM 35 OG SER A 3 -6.629 -1.069 9.907 1.00 0.00 O ATOM 0 H SER A 3 -7.559 1.080 8.916 1.00 0.00 H new ATOM 0 HA SER A 3 -4.816 0.907 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.569 -0.942 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.054 -1.380 8.614 1.00 0.00 H new ATOM 0 HG SER A 3 -6.893 -2.013 9.885 1.00 0.00 H new ATOM 41 N TYR A 4 -5.354 1.931 6.588 1.00 0.00 N ATOM 42 CA TYR A 4 -4.677 2.405 5.385 1.00 0.00 C ATOM 43 C TYR A 4 -3.417 3.177 5.770 1.00 0.00 C ATOM 44 O TYR A 4 -2.444 3.231 5.016 1.00 0.00 O ATOM 45 CB TYR A 4 -5.582 3.321 4.554 1.00 0.00 C ATOM 46 CG TYR A 4 -6.900 2.714 4.118 1.00 0.00 C ATOM 47 CD1 TYR A 4 -6.953 1.520 3.407 1.00 0.00 C ATOM 48 CD2 TYR A 4 -8.094 3.364 4.393 1.00 0.00 C ATOM 49 CE1 TYR A 4 -8.163 0.994 2.986 1.00 0.00 C ATOM 50 CE2 TYR A 4 -9.306 2.844 3.982 1.00 0.00 C ATOM 51 CZ TYR A 4 -9.338 1.661 3.278 1.00 0.00 C ATOM 52 OH TYR A 4 -10.546 1.153 2.857 1.00 0.00 O ATOM 0 H TYR A 4 -6.287 2.317 6.730 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.420 1.532 4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.790 4.220 5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.035 3.634 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.037 0.995 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.076 4.295 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.188 0.067 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.225 3.363 4.212 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.170 1.126 3.612 1.00 0.00 H new ATOM 62 N TYR A 5 -3.453 3.770 6.956 1.00 0.00 N ATOM 63 CA TYR A 5 -2.316 4.500 7.494 1.00 0.00 C ATOM 64 C TYR A 5 -1.120 3.565 7.661 1.00 0.00 C ATOM 65 O TYR A 5 0.024 3.948 7.422 1.00 0.00 O ATOM 66 CB TYR A 5 -2.717 5.126 8.837 1.00 0.00 C ATOM 67 CG TYR A 5 -1.583 5.771 9.600 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.195 7.078 9.339 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.906 5.071 10.589 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.161 7.669 10.041 1.00 0.00 C ATOM 71 CE2 TYR A 5 0.126 5.653 11.292 1.00 0.00 C ATOM 72 CZ TYR A 5 0.496 6.949 11.017 1.00 0.00 C ATOM 73 OH TYR A 5 1.527 7.528 11.721 1.00 0.00 O ATOM 0 H TYR A 5 -4.268 3.758 7.569 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.024 5.292 6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.487 5.876 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.164 4.354 9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.709 7.642 8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.193 4.054 10.811 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.130 8.687 9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.643 5.093 12.057 1.00 0.00 H new ATOM 0 HH TYR A 5 1.880 6.886 12.371 1.00 0.00 H new ATOM 83 N GLU A 6 -1.404 2.336 8.066 1.00 0.00 N ATOM 84 CA GLU A 6 -0.373 1.332 8.273 1.00 0.00 C ATOM 85 C GLU A 6 0.180 0.796 6.956 1.00 0.00 C ATOM 86 O GLU A 6 1.391 0.617 6.810 1.00 0.00 O ATOM 87 CB GLU A 6 -0.932 0.183 9.105 1.00 0.00 C ATOM 88 CG GLU A 6 -1.195 0.571 10.545 1.00 0.00 C ATOM 89 CD GLU A 6 0.080 0.876 11.304 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.793 -0.079 11.681 1.00 0.00 O ATOM 91 OE2 GLU A 6 0.379 2.065 11.526 1.00 0.00 O ATOM 0 H GLU A 6 -2.350 2.009 8.259 1.00 0.00 H new ATOM 0 HA GLU A 6 0.450 1.810 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.860 -0.168 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.231 -0.651 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.847 1.444 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.727 -0.238 11.045 1.00 0.00 H new ATOM 98 N ILE A 7 -0.709 0.538 6.000 1.00 0.00 N ATOM 99 CA ILE A 7 -0.316 -0.127 4.769 1.00 0.00 C ATOM 100 C ILE A 7 0.530 0.782 3.882 1.00 0.00 C ATOM 101 O ILE A 7 1.524 0.347 3.304 1.00 0.00 O ATOM 102 CB ILE A 7 -1.542 -0.626 3.985 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.531 0.506 3.804 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.213 -1.772 4.719 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.483 0.310 2.656 1.00 0.00 C ATOM 0 H ILE A 7 -1.699 0.779 6.057 1.00 0.00 H new ATOM 0 HA ILE A 7 0.289 -0.987 5.057 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.209 -0.980 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.106 0.623 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.981 1.434 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.078 -2.112 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.507 -2.595 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.537 -1.434 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.158 1.163 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.920 0.224 1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.062 -0.600 2.815 1.00 0.00 H new ATOM 117 N LEU A 8 0.141 2.046 3.781 1.00 0.00 N ATOM 118 CA LEU A 8 0.900 3.008 2.996 1.00 0.00 C ATOM 119 C LEU A 8 1.719 3.903 3.908 1.00 0.00 C ATOM 120 O LEU A 8 2.934 3.733 4.042 1.00 0.00 O ATOM 121 CB LEU A 8 -0.024 3.869 2.132 1.00 0.00 C ATOM 122 CG LEU A 8 -1.144 3.111 1.436 1.00 0.00 C ATOM 123 CD1 LEU A 8 -2.025 4.072 0.659 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.583 2.032 0.517 1.00 0.00 C ATOM 0 H LEU A 8 -0.692 2.427 4.231 1.00 0.00 H new ATOM 0 HA LEU A 8 1.567 2.448 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.465 4.644 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.577 4.374 1.376 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.751 2.620 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.823 3.517 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.460 4.801 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.426 4.590 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.404 1.505 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.051 2.493 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.006 1.326 1.102 1.00 0.00 H new ATOM 136 N ASP A 9 1.008 4.825 4.551 1.00 0.00 N ATOM 137 CA ASP A 9 1.608 5.875 5.376 1.00 0.00 C ATOM 138 C ASP A 9 0.538 6.870 5.803 1.00 0.00 C ATOM 139 O ASP A 9 0.609 7.465 6.879 1.00 0.00 O ATOM 140 CB ASP A 9 2.712 6.620 4.613 1.00 0.00 C ATOM 141 CG ASP A 9 3.236 7.825 5.371 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.964 7.643 6.371 1.00 0.00 O ATOM 143 OD2 ASP A 9 2.944 8.965 4.957 1.00 0.00 O ATOM 0 H ASP A 9 -0.011 4.867 4.515 1.00 0.00 H new ATOM 0 HA ASP A 9 2.050 5.401 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.536 5.935 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.325 6.944 3.647 1.00 0.00 H new ATOM 148 N VAL A 10 -0.455 7.040 4.945 1.00 0.00 N ATOM 149 CA VAL A 10 -1.557 7.951 5.210 1.00 0.00 C ATOM 150 C VAL A 10 -2.875 7.186 5.196 1.00 0.00 C ATOM 151 O VAL A 10 -3.001 6.172 4.509 1.00 0.00 O ATOM 152 CB VAL A 10 -1.602 9.095 4.170 1.00 0.00 C ATOM 153 CG1 VAL A 10 -0.382 9.989 4.313 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.691 8.543 2.753 1.00 0.00 C ATOM 0 H VAL A 10 -0.520 6.554 4.051 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.402 8.394 6.194 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.496 9.689 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.429 10.789 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.362 10.420 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.521 9.400 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.721 9.369 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.820 7.921 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.596 7.944 2.652 1.00 0.00 H new ATOM 164 N PRO A 11 -3.869 7.653 5.968 1.00 0.00 N ATOM 165 CA PRO A 11 -5.151 6.984 6.107 1.00 0.00 C ATOM 166 C PRO A 11 -6.159 7.399 5.037 1.00 0.00 C ATOM 167 O PRO A 11 -5.829 8.128 4.105 1.00 0.00 O ATOM 168 CB PRO A 11 -5.635 7.423 7.499 1.00 0.00 C ATOM 169 CG PRO A 11 -4.703 8.510 7.953 1.00 0.00 C ATOM 170 CD PRO A 11 -3.822 8.864 6.784 1.00 0.00 C ATOM 0 HA PRO A 11 -5.053 5.905 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.662 7.786 7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.622 6.585 8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.265 9.382 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.103 8.173 8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.198 9.732 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.806 9.100 7.100 1.00 0.00 H new ATOM 178 N ARG A 12 -7.398 6.948 5.201 1.00 0.00 N ATOM 179 CA ARG A 12 -8.467 7.225 4.241 1.00 0.00 C ATOM 180 C ARG A 12 -8.854 8.698 4.238 1.00 0.00 C ATOM 181 O ARG A 12 -9.452 9.195 3.285 1.00 0.00 O ATOM 182 CB ARG A 12 -9.696 6.386 4.573 1.00 0.00 C ATOM 183 CG ARG A 12 -10.157 6.517 6.014 1.00 0.00 C ATOM 184 CD ARG A 12 -11.351 5.623 6.297 1.00 0.00 C ATOM 185 NE ARG A 12 -12.491 5.945 5.442 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.572 5.179 5.328 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.663 4.049 6.017 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.556 5.536 4.513 1.00 0.00 N ATOM 0 H ARG A 12 -7.691 6.383 5.998 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.093 6.966 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.512 6.677 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.476 5.339 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.338 6.256 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.420 7.554 6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.068 4.581 6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.641 5.726 7.343 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.456 6.809 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.903 3.766 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.493 3.463 5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.484 6.399 3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.385 4.948 4.426 1.00 0.00 H new ATOM 202 N SER A 13 -8.534 9.375 5.326 1.00 0.00 N ATOM 203 CA SER A 13 -8.826 10.792 5.475 1.00 0.00 C ATOM 204 C SER A 13 -7.984 11.628 4.513 1.00 0.00 C ATOM 205 O SER A 13 -8.282 12.796 4.260 1.00 0.00 O ATOM 206 CB SER A 13 -8.580 11.205 6.925 1.00 0.00 C ATOM 207 OG SER A 13 -7.458 10.520 7.459 1.00 0.00 O ATOM 0 H SER A 13 -8.065 8.960 6.131 1.00 0.00 H new ATOM 0 HA SER A 13 -9.872 10.971 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.415 12.281 6.979 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.464 10.988 7.525 1.00 0.00 H new ATOM 0 HG SER A 13 -7.316 10.799 8.388 1.00 0.00 H new ATOM 213 N ALA A 14 -6.942 11.013 3.974 1.00 0.00 N ATOM 214 CA ALA A 14 -6.099 11.647 2.989 1.00 0.00 C ATOM 215 C ALA A 14 -6.710 11.496 1.603 1.00 0.00 C ATOM 216 O ALA A 14 -7.333 10.479 1.298 1.00 0.00 O ATOM 217 CB ALA A 14 -4.721 11.018 3.037 1.00 0.00 C ATOM 0 H ALA A 14 -6.663 10.061 4.211 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.014 12.711 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.079 11.492 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.292 11.156 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.800 9.953 2.821 1.00 0.00 H new ATOM 223 N SER A 15 -6.552 12.516 0.778 1.00 0.00 N ATOM 224 CA SER A 15 -7.052 12.471 -0.585 1.00 0.00 C ATOM 225 C SER A 15 -6.185 11.541 -1.433 1.00 0.00 C ATOM 226 O SER A 15 -4.984 11.418 -1.205 1.00 0.00 O ATOM 227 CB SER A 15 -7.075 13.885 -1.167 1.00 0.00 C ATOM 228 OG SER A 15 -5.886 14.585 -0.846 1.00 0.00 O ATOM 0 H SER A 15 -6.081 13.386 1.028 1.00 0.00 H new ATOM 0 HA SER A 15 -8.068 12.077 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.191 13.835 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.937 14.428 -0.779 1.00 0.00 H new ATOM 0 HG SER A 15 -5.923 15.486 -1.230 1.00 0.00 H new ATOM 234 N ALA A 16 -6.824 10.896 -2.414 1.00 0.00 N ATOM 235 CA ALA A 16 -6.234 9.777 -3.158 1.00 0.00 C ATOM 236 C ALA A 16 -4.870 10.101 -3.755 1.00 0.00 C ATOM 237 O ALA A 16 -4.029 9.212 -3.907 1.00 0.00 O ATOM 238 CB ALA A 16 -7.187 9.315 -4.250 1.00 0.00 C ATOM 0 H ALA A 16 -7.768 11.136 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.075 8.975 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.740 8.484 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.125 8.990 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.380 10.139 -4.937 1.00 0.00 H new ATOM 244 N ASP A 17 -4.658 11.361 -4.112 1.00 0.00 N ATOM 245 CA ASP A 17 -3.386 11.792 -4.684 1.00 0.00 C ATOM 246 C ASP A 17 -2.253 11.672 -3.672 1.00 0.00 C ATOM 247 O ASP A 17 -1.121 11.351 -4.030 1.00 0.00 O ATOM 248 CB ASP A 17 -3.480 13.228 -5.190 1.00 0.00 C ATOM 249 CG ASP A 17 -4.229 13.330 -6.497 1.00 0.00 C ATOM 250 OD1 ASP A 17 -5.474 13.361 -6.476 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.564 13.380 -7.555 1.00 0.00 O ATOM 0 H ASP A 17 -5.350 12.104 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.166 11.134 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.978 13.843 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.476 13.632 -5.317 1.00 0.00 H new ATOM 256 N ASP A 18 -2.563 11.929 -2.411 1.00 0.00 N ATOM 257 CA ASP A 18 -1.588 11.778 -1.338 1.00 0.00 C ATOM 258 C ASP A 18 -1.246 10.304 -1.168 1.00 0.00 C ATOM 259 O ASP A 18 -0.099 9.935 -0.921 1.00 0.00 O ATOM 260 CB ASP A 18 -2.150 12.342 -0.031 1.00 0.00 C ATOM 261 CG ASP A 18 -1.112 12.442 1.071 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.091 12.533 0.758 1.00 0.00 O ATOM 263 OD2 ASP A 18 -1.498 12.456 2.260 1.00 0.00 O ATOM 0 H ASP A 18 -3.483 12.244 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.684 12.331 -1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.567 13.331 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.970 11.709 0.308 1.00 0.00 H new ATOM 268 N ILE A 19 -2.264 9.466 -1.331 1.00 0.00 N ATOM 269 CA ILE A 19 -2.096 8.018 -1.296 1.00 0.00 C ATOM 270 C ILE A 19 -1.138 7.545 -2.393 1.00 0.00 C ATOM 271 O ILE A 19 -0.227 6.753 -2.133 1.00 0.00 O ATOM 272 CB ILE A 19 -3.459 7.288 -1.432 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.178 7.243 -0.086 1.00 0.00 C ATOM 274 CG2 ILE A 19 -3.305 5.886 -2.001 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.865 8.537 0.262 1.00 0.00 C ATOM 0 H ILE A 19 -3.225 9.770 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.665 7.768 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.062 7.859 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.915 6.440 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.458 6.999 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.285 5.415 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.851 5.943 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.668 5.294 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.357 8.439 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.128 9.339 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.608 8.771 -0.500 1.00 0.00 H new ATOM 287 N LYS A 20 -1.333 8.038 -3.614 1.00 0.00 N ATOM 288 CA LYS A 20 -0.480 7.636 -4.729 1.00 0.00 C ATOM 289 C LYS A 20 0.949 8.130 -4.510 1.00 0.00 C ATOM 290 O LYS A 20 1.914 7.470 -4.895 1.00 0.00 O ATOM 291 CB LYS A 20 -1.041 8.122 -6.079 1.00 0.00 C ATOM 292 CG LYS A 20 -0.683 9.550 -6.461 1.00 0.00 C ATOM 293 CD LYS A 20 -1.267 9.912 -7.818 1.00 0.00 C ATOM 294 CE LYS A 20 -0.710 11.222 -8.354 1.00 0.00 C ATOM 295 NZ LYS A 20 -1.074 12.388 -7.507 1.00 0.00 N ATOM 0 H LYS A 20 -2.064 8.708 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.465 6.547 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.683 7.454 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.127 8.032 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.059 10.238 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.401 9.663 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.055 9.112 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.351 9.987 -7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.376 11.151 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.081 11.383 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.628 13.247 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.107 12.506 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.742 12.228 -6.535 1.00 0.00 H new ATOM 309 N LYS A 21 1.078 9.295 -3.883 1.00 0.00 N ATOM 310 CA LYS A 21 2.383 9.841 -3.556 1.00 0.00 C ATOM 311 C LYS A 21 3.078 8.969 -2.512 1.00 0.00 C ATOM 312 O LYS A 21 4.279 8.706 -2.608 1.00 0.00 O ATOM 313 CB LYS A 21 2.250 11.274 -3.034 1.00 0.00 C ATOM 314 CG LYS A 21 3.586 11.979 -2.909 1.00 0.00 C ATOM 315 CD LYS A 21 4.224 12.174 -4.274 1.00 0.00 C ATOM 316 CE LYS A 21 5.735 12.083 -4.209 1.00 0.00 C ATOM 317 NZ LYS A 21 6.325 13.045 -3.236 1.00 0.00 N ATOM 0 H LYS A 21 0.292 9.877 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 21 2.986 9.853 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.606 11.842 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.760 11.257 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.448 12.946 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.251 11.396 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.844 11.420 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.936 13.146 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.023 11.069 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.150 12.273 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.362 13.027 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.979 14.004 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.047 12.777 -2.270 1.00 0.00 H new ATOM 331 N ALA A 22 2.314 8.520 -1.520 1.00 0.00 N ATOM 332 CA ALA A 22 2.834 7.630 -0.488 1.00 0.00 C ATOM 333 C ALA A 22 3.313 6.320 -1.105 1.00 0.00 C ATOM 334 O ALA A 22 4.349 5.783 -0.717 1.00 0.00 O ATOM 335 CB ALA A 22 1.772 7.366 0.573 1.00 0.00 C ATOM 0 H ALA A 22 1.329 8.760 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 22 3.685 8.115 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.177 6.700 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.476 8.308 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.902 6.900 0.109 1.00 0.00 H new ATOM 341 N TYR A 23 2.551 5.822 -2.074 1.00 0.00 N ATOM 342 CA TYR A 23 2.925 4.624 -2.820 1.00 0.00 C ATOM 343 C TYR A 23 4.289 4.805 -3.488 1.00 0.00 C ATOM 344 O TYR A 23 5.128 3.904 -3.459 1.00 0.00 O ATOM 345 CB TYR A 23 1.827 4.294 -3.847 1.00 0.00 C ATOM 346 CG TYR A 23 2.322 3.778 -5.188 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.682 2.445 -5.363 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.421 4.631 -6.281 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.127 1.983 -6.589 1.00 0.00 C ATOM 350 CE2 TYR A 23 2.863 4.176 -7.506 1.00 0.00 C ATOM 351 CZ TYR A 23 3.215 2.852 -7.656 1.00 0.00 C ATOM 352 OH TYR A 23 3.652 2.399 -8.880 1.00 0.00 O ATOM 0 H TYR A 23 1.663 6.233 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 23 3.015 3.783 -2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.160 3.548 -3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.233 5.191 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.613 1.761 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.147 5.670 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.404 0.946 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.933 4.854 -8.344 1.00 0.00 H new ATOM 0 HH TYR A 23 3.653 3.140 -9.522 1.00 0.00 H new ATOM 362 N ARG A 24 4.513 5.983 -4.061 1.00 0.00 N ATOM 363 CA ARG A 24 5.784 6.297 -4.708 1.00 0.00 C ATOM 364 C ARG A 24 6.920 6.321 -3.692 1.00 0.00 C ATOM 365 O ARG A 24 8.032 5.875 -3.974 1.00 0.00 O ATOM 366 CB ARG A 24 5.702 7.650 -5.418 1.00 0.00 C ATOM 367 CG ARG A 24 4.748 7.672 -6.592 1.00 0.00 C ATOM 368 CD ARG A 24 4.509 9.094 -7.049 1.00 0.00 C ATOM 369 NE ARG A 24 5.747 9.757 -7.457 1.00 0.00 N ATOM 370 CZ ARG A 24 5.825 11.044 -7.793 1.00 0.00 C ATOM 371 NH1 ARG A 24 4.726 11.786 -7.864 1.00 0.00 N ATOM 372 NH2 ARG A 24 7.000 11.585 -8.079 1.00 0.00 N ATOM 0 H ARG A 24 3.829 6.739 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 24 5.987 5.518 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.394 8.408 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.697 7.927 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.157 7.083 -7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.802 7.210 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.807 9.093 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.044 9.660 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 24 6.602 9.201 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.817 11.371 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.791 12.771 -8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.846 11.016 -8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.059 12.570 -8.336 1.00 0.00 H new ATOM 386 N ARG A 25 6.631 6.837 -2.507 1.00 0.00 N ATOM 387 CA ARG A 25 7.629 6.933 -1.452 1.00 0.00 C ATOM 388 C ARG A 25 8.040 5.549 -0.945 1.00 0.00 C ATOM 389 O ARG A 25 9.225 5.275 -0.770 1.00 0.00 O ATOM 390 CB ARG A 25 7.076 7.781 -0.308 1.00 0.00 C ATOM 391 CG ARG A 25 7.837 7.629 0.993 1.00 0.00 C ATOM 392 CD ARG A 25 7.276 8.549 2.064 1.00 0.00 C ATOM 393 NE ARG A 25 7.937 8.366 3.355 1.00 0.00 N ATOM 394 CZ ARG A 25 7.300 8.407 4.522 1.00 0.00 C ATOM 395 NH1 ARG A 25 5.999 8.668 4.557 1.00 0.00 N ATOM 396 NH2 ARG A 25 7.963 8.201 5.655 1.00 0.00 N ATOM 0 H ARG A 25 5.711 7.197 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 25 8.521 7.409 -1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.091 8.829 -0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.033 7.512 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.781 6.595 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.891 7.855 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.388 9.585 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.208 8.364 2.176 1.00 0.00 H new ATOM 0 HE ARG A 25 8.943 8.197 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.489 8.837 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.509 8.700 5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.965 8.010 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.470 8.233 6.547 1.00 0.00 H new ATOM 410 N LYS A 26 7.060 4.678 -0.729 1.00 0.00 N ATOM 411 CA LYS A 26 7.336 3.303 -0.309 1.00 0.00 C ATOM 412 C LYS A 26 8.125 2.585 -1.387 1.00 0.00 C ATOM 413 O LYS A 26 9.024 1.796 -1.097 1.00 0.00 O ATOM 414 CB LYS A 26 6.043 2.530 -0.051 1.00 0.00 C ATOM 415 CG LYS A 26 5.060 3.262 0.832 1.00 0.00 C ATOM 416 CD LYS A 26 3.828 2.420 1.107 1.00 0.00 C ATOM 417 CE LYS A 26 4.151 1.198 1.954 1.00 0.00 C ATOM 418 NZ LYS A 26 4.542 1.566 3.342 1.00 0.00 N ATOM 0 H LYS A 26 6.069 4.896 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 26 7.910 3.348 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.565 2.310 -1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.289 1.573 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.541 3.524 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.765 4.196 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.080 3.027 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.389 2.100 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.283 0.539 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.960 0.637 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.474 0.729 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.520 1.919 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.906 2.308 3.697 1.00 0.00 H new ATOM 432 N ALA A 27 7.763 2.865 -2.632 1.00 0.00 N ATOM 433 CA ALA A 27 8.453 2.296 -3.783 1.00 0.00 C ATOM 434 C ALA A 27 9.949 2.593 -3.722 1.00 0.00 C ATOM 435 O ALA A 27 10.776 1.708 -3.929 1.00 0.00 O ATOM 436 CB ALA A 27 7.864 2.832 -5.081 1.00 0.00 C ATOM 0 H ALA A 27 6.991 3.487 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 27 8.315 1.215 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.393 2.395 -5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.808 2.568 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.969 3.917 -5.108 1.00 0.00 H new ATOM 442 N LEU A 28 10.285 3.843 -3.425 1.00 0.00 N ATOM 443 CA LEU A 28 11.678 4.260 -3.306 1.00 0.00 C ATOM 444 C LEU A 28 12.321 3.671 -2.054 1.00 0.00 C ATOM 445 O LEU A 28 13.489 3.285 -2.068 1.00 0.00 O ATOM 446 CB LEU A 28 11.783 5.790 -3.275 1.00 0.00 C ATOM 447 CG LEU A 28 11.931 6.475 -4.640 1.00 0.00 C ATOM 448 CD1 LEU A 28 10.846 6.021 -5.604 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.895 7.987 -4.476 1.00 0.00 C ATOM 0 H LEU A 28 9.609 4.589 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 28 12.213 3.886 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.894 6.187 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.638 6.065 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 28 12.895 6.187 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.977 6.523 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.915 4.943 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.867 6.271 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.001 8.461 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.945 8.282 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.713 8.302 -3.828 1.00 0.00 H new ATOM 461 N GLN A 29 11.534 3.591 -0.986 1.00 0.00 N ATOM 462 CA GLN A 29 12.014 3.127 0.311 1.00 0.00 C ATOM 463 C GLN A 29 12.505 1.683 0.243 1.00 0.00 C ATOM 464 O GLN A 29 13.524 1.337 0.843 1.00 0.00 O ATOM 465 CB GLN A 29 10.888 3.244 1.344 1.00 0.00 C ATOM 466 CG GLN A 29 11.283 2.820 2.753 1.00 0.00 C ATOM 467 CD GLN A 29 10.103 2.782 3.706 1.00 0.00 C ATOM 468 OE1 GLN A 29 8.966 2.522 3.305 1.00 0.00 O ATOM 469 NE2 GLN A 29 10.361 3.043 4.977 1.00 0.00 N ATOM 0 H GLN A 29 10.546 3.846 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 29 12.856 3.753 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.542 4.277 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.046 2.635 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.746 1.834 2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.034 3.510 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.315 3.254 5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.606 3.033 5.663 1.00 0.00 H new ATOM 478 N TRP A 30 11.794 0.846 -0.498 1.00 0.00 N ATOM 479 CA TRP A 30 12.131 -0.570 -0.567 1.00 0.00 C ATOM 480 C TRP A 30 12.711 -0.950 -1.924 1.00 0.00 C ATOM 481 O TRP A 30 12.730 -2.121 -2.296 1.00 0.00 O ATOM 482 CB TRP A 30 10.915 -1.432 -0.232 1.00 0.00 C ATOM 483 CG TRP A 30 10.441 -1.236 1.174 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.420 -0.431 1.593 1.00 0.00 C ATOM 485 CD2 TRP A 30 10.984 -1.844 2.352 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.294 -0.503 2.959 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.244 -1.362 3.448 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.028 -2.744 2.588 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.509 -1.755 4.756 1.00 0.00 C ATOM 490 CZ3 TRP A 30 12.290 -3.135 3.887 1.00 0.00 C ATOM 491 CH2 TRP A 30 11.534 -2.640 4.957 1.00 0.00 C ATOM 0 H TRP A 30 10.985 1.119 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 30 12.904 -0.759 0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.105 -1.194 -0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.165 -2.482 -0.384 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.802 0.173 0.945 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.606 0.001 3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.619 -3.127 1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 9.927 -1.376 5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.091 -3.834 4.080 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.764 -2.963 5.961 1.00 0.00 H new ATOM 502 N HIS A 31 13.166 0.040 -2.676 1.00 0.00 N ATOM 503 CA HIS A 31 13.912 -0.229 -3.896 1.00 0.00 C ATOM 504 C HIS A 31 15.336 -0.619 -3.533 1.00 0.00 C ATOM 505 O HIS A 31 15.900 -0.108 -2.567 1.00 0.00 O ATOM 506 CB HIS A 31 13.915 0.989 -4.825 1.00 0.00 C ATOM 507 CG HIS A 31 12.867 0.933 -5.897 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.065 -0.165 -6.119 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.500 1.853 -6.818 1.00 0.00 C ATOM 510 CE1 HIS A 31 11.253 0.083 -7.128 1.00 0.00 C ATOM 511 NE2 HIS A 31 11.494 1.302 -7.574 1.00 0.00 N ATOM 0 H HIS A 31 13.034 1.029 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 31 13.430 -1.048 -4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.765 1.889 -4.229 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.896 1.076 -5.292 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.921 2.840 -6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.514 -0.598 -7.524 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.014 1.758 -8.350 1.00 0.00 H new ATOM 520 N PRO A 32 15.932 -1.533 -4.324 1.00 0.00 N ATOM 521 CA PRO A 32 17.220 -2.178 -4.013 1.00 0.00 C ATOM 522 C PRO A 32 18.353 -1.192 -3.760 1.00 0.00 C ATOM 523 O PRO A 32 19.298 -1.502 -3.036 1.00 0.00 O ATOM 524 CB PRO A 32 17.524 -3.014 -5.263 1.00 0.00 C ATOM 525 CG PRO A 32 16.625 -2.474 -6.319 1.00 0.00 C ATOM 526 CD PRO A 32 15.393 -2.016 -5.604 1.00 0.00 C ATOM 0 HA PRO A 32 17.147 -2.757 -3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 32 18.571 -2.924 -5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.333 -4.072 -5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.098 -1.649 -6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.387 -3.238 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.876 -1.227 -6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.679 -2.828 -5.464 1.00 0.00 H new ATOM 534 N ASP A 33 18.265 -0.021 -4.377 1.00 0.00 N ATOM 535 CA ASP A 33 19.264 1.028 -4.185 1.00 0.00 C ATOM 536 C ASP A 33 19.249 1.543 -2.745 1.00 0.00 C ATOM 537 O ASP A 33 20.270 1.983 -2.220 1.00 0.00 O ATOM 538 CB ASP A 33 19.008 2.186 -5.153 1.00 0.00 C ATOM 539 CG ASP A 33 20.094 3.241 -5.094 1.00 0.00 C ATOM 540 OD1 ASP A 33 21.184 3.006 -5.656 1.00 0.00 O ATOM 541 OD2 ASP A 33 19.868 4.308 -4.489 1.00 0.00 O ATOM 0 H ASP A 33 17.511 0.229 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 33 20.246 0.600 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.938 1.798 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.047 2.645 -4.920 1.00 0.00 H new ATOM 546 N LYS A 34 18.084 1.478 -2.111 1.00 0.00 N ATOM 547 CA LYS A 34 17.930 1.917 -0.730 1.00 0.00 C ATOM 548 C LYS A 34 17.740 0.714 0.191 1.00 0.00 C ATOM 549 O LYS A 34 17.319 0.853 1.340 1.00 0.00 O ATOM 550 CB LYS A 34 16.733 2.866 -0.581 1.00 0.00 C ATOM 551 CG LYS A 34 16.943 4.260 -1.158 1.00 0.00 C ATOM 552 CD LYS A 34 16.839 4.281 -2.676 1.00 0.00 C ATOM 553 CE LYS A 34 17.134 5.665 -3.230 1.00 0.00 C ATOM 554 NZ LYS A 34 18.545 6.065 -2.987 1.00 0.00 N ATOM 0 H LYS A 34 17.227 1.123 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 34 18.837 2.452 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.868 2.415 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.492 2.960 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.203 4.940 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.923 4.630 -0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.538 3.560 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.839 3.971 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.931 5.679 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.465 6.392 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.767 6.913 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.678 6.273 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.179 5.289 -3.267 1.00 0.00 H new ATOM 568 N ASN A 35 18.046 -0.467 -0.325 1.00 0.00 N ATOM 569 CA ASN A 35 17.838 -1.702 0.415 1.00 0.00 C ATOM 570 C ASN A 35 19.171 -2.385 0.708 1.00 0.00 C ATOM 571 O ASN A 35 20.033 -2.483 -0.168 1.00 0.00 O ATOM 572 CB ASN A 35 16.922 -2.627 -0.387 1.00 0.00 C ATOM 573 CG ASN A 35 16.648 -3.936 0.321 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.336 -4.932 0.101 1.00 0.00 O ATOM 575 ND2 ASN A 35 15.650 -3.941 1.192 1.00 0.00 N ATOM 0 H ASN A 35 18.441 -0.596 -1.257 1.00 0.00 H new ATOM 0 HA ASN A 35 17.365 -1.471 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.977 -2.118 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.377 -2.831 -1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.428 -4.792 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.103 -3.094 1.346 1.00 0.00 H new ATOM 582 N PRO A 36 19.362 -2.848 1.956 1.00 0.00 N ATOM 583 CA PRO A 36 20.591 -3.500 2.375 1.00 0.00 C ATOM 584 C PRO A 36 20.589 -5.018 2.150 1.00 0.00 C ATOM 585 O PRO A 36 20.675 -5.477 1.013 1.00 0.00 O ATOM 586 CB PRO A 36 20.672 -3.160 3.861 1.00 0.00 C ATOM 587 CG PRO A 36 19.259 -2.925 4.305 1.00 0.00 C ATOM 588 CD PRO A 36 18.408 -2.738 3.068 1.00 0.00 C ATOM 0 HA PRO A 36 21.447 -3.157 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.128 -3.974 4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.286 -2.275 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 36 18.898 -3.769 4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 36 19.201 -2.044 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.629 -3.498 3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.909 -1.769 3.070 1.00 0.00 H new ATOM 596 N ASP A 37 20.491 -5.802 3.225 1.00 0.00 N ATOM 597 CA ASP A 37 20.678 -7.249 3.119 1.00 0.00 C ATOM 598 C ASP A 37 19.365 -8.019 3.046 1.00 0.00 C ATOM 599 O ASP A 37 19.362 -9.217 2.764 1.00 0.00 O ATOM 600 CB ASP A 37 21.509 -7.768 4.291 1.00 0.00 C ATOM 601 CG ASP A 37 22.984 -7.469 4.128 1.00 0.00 C ATOM 602 OD1 ASP A 37 23.414 -6.345 4.461 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.723 -8.361 3.655 1.00 0.00 O ATOM 0 H ASP A 37 20.286 -5.465 4.166 1.00 0.00 H new ATOM 0 HA ASP A 37 21.206 -7.420 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.149 -7.317 5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 37 21.367 -8.845 4.385 1.00 0.00 H new ATOM 608 N ASN A 38 18.250 -7.353 3.291 1.00 0.00 N ATOM 609 CA ASN A 38 16.956 -8.018 3.198 1.00 0.00 C ATOM 610 C ASN A 38 16.206 -7.581 1.951 1.00 0.00 C ATOM 611 O ASN A 38 15.564 -6.533 1.942 1.00 0.00 O ATOM 612 CB ASN A 38 16.100 -7.736 4.436 1.00 0.00 C ATOM 613 CG ASN A 38 16.563 -8.480 5.680 1.00 0.00 C ATOM 614 OD1 ASN A 38 16.416 -7.986 6.797 1.00 0.00 O ATOM 615 ND2 ASN A 38 17.103 -9.679 5.508 1.00 0.00 N ATOM 0 H ASN A 38 18.210 -6.368 3.552 1.00 0.00 H new ATOM 0 HA ASN A 38 17.147 -9.090 3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.111 -6.665 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.067 -8.010 4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.411 -10.220 6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.211 -10.060 4.568 1.00 0.00 H new ATOM 622 N LYS A 39 16.241 -8.415 0.922 1.00 0.00 N ATOM 623 CA LYS A 39 15.558 -8.111 -0.329 1.00 0.00 C ATOM 624 C LYS A 39 14.155 -8.679 -0.304 1.00 0.00 C ATOM 625 O LYS A 39 13.245 -8.142 -0.932 1.00 0.00 O ATOM 626 CB LYS A 39 16.321 -8.667 -1.540 1.00 0.00 C ATOM 627 CG LYS A 39 17.435 -7.764 -2.049 1.00 0.00 C ATOM 628 CD LYS A 39 18.594 -7.671 -1.072 1.00 0.00 C ATOM 629 CE LYS A 39 19.687 -6.759 -1.601 1.00 0.00 C ATOM 630 NZ LYS A 39 20.248 -7.254 -2.885 1.00 0.00 N ATOM 0 H LYS A 39 16.735 -9.308 0.928 1.00 0.00 H new ATOM 0 HA LYS A 39 15.514 -7.026 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.747 -9.634 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.614 -8.843 -2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.798 -8.142 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.036 -6.766 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.236 -7.295 -0.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.002 -8.666 -0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.286 -5.756 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.485 -6.682 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.144 -6.764 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.421 -8.277 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.573 -7.067 -3.654 1.00 0.00 H new ATOM 644 N GLU A 40 13.989 -9.760 0.445 1.00 0.00 N ATOM 645 CA GLU A 40 12.691 -10.403 0.602 1.00 0.00 C ATOM 646 C GLU A 40 11.665 -9.413 1.127 1.00 0.00 C ATOM 647 O GLU A 40 10.539 -9.346 0.644 1.00 0.00 O ATOM 648 CB GLU A 40 12.806 -11.567 1.575 1.00 0.00 C ATOM 649 CG GLU A 40 11.524 -12.362 1.747 1.00 0.00 C ATOM 650 CD GLU A 40 11.643 -13.394 2.843 1.00 0.00 C ATOM 651 OE1 GLU A 40 12.529 -14.270 2.743 1.00 0.00 O ATOM 652 OE2 GLU A 40 10.857 -13.335 3.811 1.00 0.00 O ATOM 0 H GLU A 40 14.745 -10.214 0.958 1.00 0.00 H new ATOM 0 HA GLU A 40 12.367 -10.767 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.593 -12.238 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.116 -11.184 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.703 -11.682 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.275 -12.857 0.808 1.00 0.00 H new ATOM 659 N PHE A 41 12.073 -8.634 2.112 1.00 0.00 N ATOM 660 CA PHE A 41 11.198 -7.636 2.700 1.00 0.00 C ATOM 661 C PHE A 41 10.888 -6.535 1.697 1.00 0.00 C ATOM 662 O PHE A 41 9.765 -6.050 1.633 1.00 0.00 O ATOM 663 CB PHE A 41 11.817 -7.052 3.972 1.00 0.00 C ATOM 664 CG PHE A 41 11.889 -8.040 5.108 1.00 0.00 C ATOM 665 CD1 PHE A 41 12.932 -8.949 5.196 1.00 0.00 C ATOM 666 CD2 PHE A 41 10.907 -8.058 6.086 1.00 0.00 C ATOM 667 CE1 PHE A 41 12.991 -9.860 6.235 1.00 0.00 C ATOM 668 CE2 PHE A 41 10.962 -8.965 7.128 1.00 0.00 C ATOM 669 CZ PHE A 41 12.005 -9.866 7.202 1.00 0.00 C ATOM 0 H PHE A 41 13.006 -8.673 2.522 1.00 0.00 H new ATOM 0 HA PHE A 41 10.262 -8.123 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.822 -6.693 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.233 -6.187 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.708 -8.946 4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.089 -7.355 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.807 -10.566 6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.190 -8.969 7.883 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.050 -10.575 8.015 1.00 0.00 H new ATOM 679 N ALA A 42 11.880 -6.166 0.899 1.00 0.00 N ATOM 680 CA ALA A 42 11.703 -5.122 -0.100 1.00 0.00 C ATOM 681 C ALA A 42 10.728 -5.556 -1.190 1.00 0.00 C ATOM 682 O ALA A 42 9.838 -4.798 -1.572 1.00 0.00 O ATOM 683 CB ALA A 42 13.043 -4.748 -0.708 1.00 0.00 C ATOM 0 H ALA A 42 12.815 -6.574 0.924 1.00 0.00 H new ATOM 0 HA ALA A 42 11.281 -4.248 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.899 -3.966 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.709 -4.384 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.485 -5.625 -1.182 1.00 0.00 H new ATOM 689 N GLU A 43 10.886 -6.785 -1.675 1.00 0.00 N ATOM 690 CA GLU A 43 9.998 -7.305 -2.709 1.00 0.00 C ATOM 691 C GLU A 43 8.599 -7.539 -2.147 1.00 0.00 C ATOM 692 O GLU A 43 7.602 -7.289 -2.827 1.00 0.00 O ATOM 693 CB GLU A 43 10.554 -8.590 -3.339 1.00 0.00 C ATOM 694 CG GLU A 43 10.820 -9.709 -2.350 1.00 0.00 C ATOM 695 CD GLU A 43 11.326 -10.968 -3.019 1.00 0.00 C ATOM 696 OE1 GLU A 43 12.451 -10.952 -3.559 1.00 0.00 O ATOM 697 OE2 GLU A 43 10.605 -11.990 -2.998 1.00 0.00 O ATOM 0 H GLU A 43 11.613 -7.433 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 43 9.934 -6.555 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.849 -8.946 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.482 -8.353 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.552 -9.373 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.902 -9.934 -1.806 1.00 0.00 H new ATOM 704 N LYS A 44 8.521 -8.011 -0.904 1.00 0.00 N ATOM 705 CA LYS A 44 7.234 -8.203 -0.257 1.00 0.00 C ATOM 706 C LYS A 44 6.535 -6.871 -0.045 1.00 0.00 C ATOM 707 O LYS A 44 5.364 -6.742 -0.358 1.00 0.00 O ATOM 708 CB LYS A 44 7.370 -8.930 1.081 1.00 0.00 C ATOM 709 CG LYS A 44 7.695 -10.408 0.944 1.00 0.00 C ATOM 710 CD LYS A 44 7.717 -11.112 2.295 1.00 0.00 C ATOM 711 CE LYS A 44 6.316 -11.467 2.788 1.00 0.00 C ATOM 712 NZ LYS A 44 5.478 -10.269 3.078 1.00 0.00 N ATOM 0 H LYS A 44 9.328 -8.264 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 44 6.634 -8.825 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.152 -8.448 1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.440 -8.822 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.957 -10.884 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.664 -10.523 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.314 -12.021 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.206 -10.471 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.817 -12.079 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.397 -12.073 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.825 -10.483 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.091 -9.473 3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.932 -10.014 2.230 1.00 0.00 H new ATOM 726 N LYS A 45 7.257 -5.874 0.455 1.00 0.00 N ATOM 727 CA LYS A 45 6.661 -4.571 0.731 1.00 0.00 C ATOM 728 C LYS A 45 6.197 -3.916 -0.557 1.00 0.00 C ATOM 729 O LYS A 45 5.189 -3.207 -0.578 1.00 0.00 O ATOM 730 CB LYS A 45 7.633 -3.654 1.474 1.00 0.00 C ATOM 731 CG LYS A 45 7.829 -4.030 2.934 1.00 0.00 C ATOM 732 CD LYS A 45 6.500 -4.152 3.650 1.00 0.00 C ATOM 733 CE LYS A 45 6.673 -4.236 5.154 1.00 0.00 C ATOM 734 NZ LYS A 45 5.371 -4.415 5.848 1.00 0.00 N ATOM 0 H LYS A 45 8.250 -5.942 0.677 1.00 0.00 H new ATOM 0 HA LYS A 45 5.798 -4.733 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.599 -3.676 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.267 -2.629 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.369 -4.975 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.443 -3.277 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.875 -3.293 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.976 -5.040 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.333 -5.068 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.157 -3.329 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.529 -4.468 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.750 -3.608 5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.921 -5.294 5.521 1.00 0.00 H new ATOM 748 N PHE A 46 6.942 -4.154 -1.624 1.00 0.00 N ATOM 749 CA PHE A 46 6.552 -3.682 -2.942 1.00 0.00 C ATOM 750 C PHE A 46 5.232 -4.336 -3.353 1.00 0.00 C ATOM 751 O PHE A 46 4.354 -3.693 -3.924 1.00 0.00 O ATOM 752 CB PHE A 46 7.651 -3.992 -3.964 1.00 0.00 C ATOM 753 CG PHE A 46 7.407 -3.394 -5.321 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.741 -2.073 -5.580 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.848 -4.152 -6.338 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.521 -1.521 -6.828 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.624 -3.603 -7.586 1.00 0.00 C ATOM 758 CZ PHE A 46 6.962 -2.287 -7.832 1.00 0.00 C ATOM 0 H PHE A 46 7.821 -4.672 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 46 6.413 -2.601 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.603 -3.624 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.744 -5.073 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.178 -1.469 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.585 -5.183 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.786 -0.491 -7.018 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.185 -4.203 -8.369 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.790 -1.857 -8.808 1.00 0.00 H new ATOM 768 N LYS A 47 5.100 -5.621 -3.056 1.00 0.00 N ATOM 769 CA LYS A 47 3.864 -6.342 -3.318 1.00 0.00 C ATOM 770 C LYS A 47 2.754 -5.868 -2.366 1.00 0.00 C ATOM 771 O LYS A 47 1.583 -5.814 -2.752 1.00 0.00 O ATOM 772 CB LYS A 47 4.115 -7.864 -3.246 1.00 0.00 C ATOM 773 CG LYS A 47 3.568 -8.588 -2.020 1.00 0.00 C ATOM 774 CD LYS A 47 2.116 -9.004 -2.209 1.00 0.00 C ATOM 775 CE LYS A 47 1.658 -9.945 -1.109 1.00 0.00 C ATOM 776 NZ LYS A 47 0.214 -10.264 -1.230 1.00 0.00 N ATOM 0 H LYS A 47 5.836 -6.186 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 47 3.518 -6.125 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.682 -8.323 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.191 -8.035 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.175 -9.470 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.649 -7.939 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.481 -8.118 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.999 -9.491 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.240 -10.866 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.851 -9.491 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.007 -11.099 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.349 -9.454 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.015 -10.463 -2.225 1.00 0.00 H new ATOM 790 N GLU A 48 3.134 -5.512 -1.133 1.00 0.00 N ATOM 791 CA GLU A 48 2.173 -5.033 -0.135 1.00 0.00 C ATOM 792 C GLU A 48 1.536 -3.728 -0.588 1.00 0.00 C ATOM 793 O GLU A 48 0.323 -3.559 -0.513 1.00 0.00 O ATOM 794 CB GLU A 48 2.852 -4.786 1.219 1.00 0.00 C ATOM 795 CG GLU A 48 3.579 -5.986 1.801 1.00 0.00 C ATOM 796 CD GLU A 48 2.666 -7.144 2.119 1.00 0.00 C ATOM 797 OE1 GLU A 48 2.042 -7.130 3.197 1.00 0.00 O ATOM 798 OE2 GLU A 48 2.588 -8.085 1.311 1.00 0.00 O ATOM 0 H GLU A 48 4.099 -5.547 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 48 1.413 -5.807 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.564 -3.968 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.097 -4.457 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.341 -6.317 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.097 -5.681 2.710 1.00 0.00 H new ATOM 805 N VAL A 49 2.359 -2.808 -1.077 1.00 0.00 N ATOM 806 CA VAL A 49 1.852 -1.531 -1.553 1.00 0.00 C ATOM 807 C VAL A 49 1.087 -1.722 -2.852 1.00 0.00 C ATOM 808 O VAL A 49 0.084 -1.064 -3.082 1.00 0.00 O ATOM 809 CB VAL A 49 2.961 -0.462 -1.730 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.065 -0.956 -2.649 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.375 0.834 -2.266 1.00 0.00 C ATOM 0 H VAL A 49 3.370 -2.922 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 49 1.179 -1.154 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 49 3.396 -0.273 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.826 -0.183 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.515 -1.854 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.647 -1.186 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.169 1.571 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.906 0.649 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.629 1.212 -1.567 1.00 0.00 H new ATOM 821 N ALA A 50 1.549 -2.635 -3.694 1.00 0.00 N ATOM 822 CA ALA A 50 0.880 -2.885 -4.961 1.00 0.00 C ATOM 823 C ALA A 50 -0.586 -3.258 -4.747 1.00 0.00 C ATOM 824 O ALA A 50 -1.473 -2.694 -5.395 1.00 0.00 O ATOM 825 CB ALA A 50 1.596 -3.989 -5.719 1.00 0.00 C ATOM 0 H ALA A 50 2.375 -3.209 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 50 0.912 -1.968 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.088 -4.169 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.626 -3.689 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.589 -4.902 -5.124 1.00 0.00 H new ATOM 831 N GLU A 51 -0.843 -4.164 -3.807 1.00 0.00 N ATOM 832 CA GLU A 51 -2.210 -4.582 -3.518 1.00 0.00 C ATOM 833 C GLU A 51 -2.965 -3.487 -2.770 1.00 0.00 C ATOM 834 O GLU A 51 -4.108 -3.167 -3.095 1.00 0.00 O ATOM 835 CB GLU A 51 -2.230 -5.888 -2.709 1.00 0.00 C ATOM 836 CG GLU A 51 -1.595 -5.775 -1.331 1.00 0.00 C ATOM 837 CD GLU A 51 -1.724 -7.041 -0.511 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.965 -7.996 -0.760 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.589 -7.092 0.388 1.00 0.00 O ATOM 0 H GLU A 51 -0.129 -4.619 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.710 -4.761 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.263 -6.217 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.710 -6.661 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.539 -5.528 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.059 -4.950 -0.790 1.00 0.00 H new ATOM 846 N ALA A 52 -2.292 -2.891 -1.792 1.00 0.00 N ATOM 847 CA ALA A 52 -2.908 -1.924 -0.901 1.00 0.00 C ATOM 848 C ALA A 52 -3.222 -0.619 -1.617 1.00 0.00 C ATOM 849 O ALA A 52 -4.264 -0.004 -1.382 1.00 0.00 O ATOM 850 CB ALA A 52 -2.000 -1.678 0.290 1.00 0.00 C ATOM 0 H ALA A 52 -1.306 -3.066 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.856 -2.335 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.464 -0.952 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.841 -2.614 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.042 -1.291 -0.057 1.00 0.00 H new ATOM 856 N TYR A 53 -2.324 -0.200 -2.494 1.00 0.00 N ATOM 857 CA TYR A 53 -2.522 1.016 -3.255 1.00 0.00 C ATOM 858 C TYR A 53 -3.596 0.808 -4.313 1.00 0.00 C ATOM 859 O TYR A 53 -4.397 1.701 -4.559 1.00 0.00 O ATOM 860 CB TYR A 53 -1.205 1.500 -3.881 1.00 0.00 C ATOM 861 CG TYR A 53 -1.397 2.476 -5.021 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.753 3.796 -4.778 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.237 2.069 -6.339 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.944 4.683 -5.817 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.427 2.951 -7.382 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.779 4.255 -7.116 1.00 0.00 C ATOM 867 OH TYR A 53 -1.972 5.137 -8.154 1.00 0.00 O ATOM 0 H TYR A 53 -1.451 -0.687 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.862 1.796 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.598 1.972 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.646 0.637 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.882 4.133 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.960 1.047 -6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.221 5.707 -5.613 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.300 2.620 -8.402 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.816 4.679 -9.006 1.00 0.00 H new ATOM 877 N GLU A 54 -3.624 -0.375 -4.925 1.00 0.00 N ATOM 878 CA GLU A 54 -4.649 -0.671 -5.926 1.00 0.00 C ATOM 879 C GLU A 54 -6.043 -0.602 -5.322 1.00 0.00 C ATOM 880 O GLU A 54 -6.925 0.069 -5.856 1.00 0.00 O ATOM 881 CB GLU A 54 -4.452 -2.053 -6.549 1.00 0.00 C ATOM 882 CG GLU A 54 -3.640 -2.038 -7.828 1.00 0.00 C ATOM 883 CD GLU A 54 -3.875 -3.280 -8.660 1.00 0.00 C ATOM 884 OE1 GLU A 54 -4.889 -3.325 -9.392 1.00 0.00 O ATOM 885 OE2 GLU A 54 -3.060 -4.222 -8.575 1.00 0.00 O ATOM 0 H GLU A 54 -2.962 -1.132 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.548 0.086 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.959 -2.701 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.429 -2.491 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.899 -1.155 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.580 -1.959 -7.585 1.00 0.00 H new ATOM 892 N VAL A 55 -6.234 -1.285 -4.203 1.00 0.00 N ATOM 893 CA VAL A 55 -7.545 -1.364 -3.586 1.00 0.00 C ATOM 894 C VAL A 55 -8.006 0.003 -3.080 1.00 0.00 C ATOM 895 O VAL A 55 -9.155 0.381 -3.275 1.00 0.00 O ATOM 896 CB VAL A 55 -7.581 -2.411 -2.446 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.626 -2.055 -1.324 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.994 -2.581 -1.917 1.00 0.00 C ATOM 0 H VAL A 55 -5.499 -1.790 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.241 -1.692 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.251 -3.362 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.682 -2.815 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.609 -2.008 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.900 -1.086 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.996 -3.321 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.355 -1.628 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.646 -2.916 -2.723 1.00 0.00 H new ATOM 908 N LEU A 56 -7.105 0.750 -2.454 1.00 0.00 N ATOM 909 CA LEU A 56 -7.455 2.050 -1.893 1.00 0.00 C ATOM 910 C LEU A 56 -7.627 3.117 -2.976 1.00 0.00 C ATOM 911 O LEU A 56 -8.406 4.054 -2.811 1.00 0.00 O ATOM 912 CB LEU A 56 -6.403 2.493 -0.872 1.00 0.00 C ATOM 913 CG LEU A 56 -6.691 3.823 -0.167 1.00 0.00 C ATOM 914 CD1 LEU A 56 -8.055 3.800 0.504 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.614 4.125 0.853 1.00 0.00 C ATOM 0 H LEU A 56 -6.130 0.480 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.416 1.938 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.305 1.714 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.440 2.570 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.694 4.610 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.234 4.756 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.827 3.628 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.083 3.000 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.834 5.073 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.584 3.329 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.648 4.191 0.353 1.00 0.00 H new ATOM 927 N SER A 57 -6.914 2.972 -4.089 1.00 0.00 N ATOM 928 CA SER A 57 -6.976 3.966 -5.154 1.00 0.00 C ATOM 929 C SER A 57 -8.227 3.773 -6.003 1.00 0.00 C ATOM 930 O SER A 57 -8.611 4.660 -6.768 1.00 0.00 O ATOM 931 CB SER A 57 -5.725 3.897 -6.036 1.00 0.00 C ATOM 932 OG SER A 57 -5.715 4.946 -6.991 1.00 0.00 O ATOM 0 H SER A 57 -6.293 2.185 -4.276 1.00 0.00 H new ATOM 0 HA SER A 57 -7.020 4.951 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.833 3.960 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.689 2.935 -6.547 1.00 0.00 H new ATOM 0 HG SER A 57 -6.634 5.240 -7.164 1.00 0.00 H new ATOM 938 N ASP A 58 -8.865 2.623 -5.862 1.00 0.00 N ATOM 939 CA ASP A 58 -10.096 2.350 -6.581 1.00 0.00 C ATOM 940 C ASP A 58 -11.254 2.339 -5.611 1.00 0.00 C ATOM 941 O ASP A 58 -11.292 1.538 -4.680 1.00 0.00 O ATOM 942 CB ASP A 58 -10.031 1.009 -7.310 1.00 0.00 C ATOM 943 CG ASP A 58 -9.265 1.078 -8.611 1.00 0.00 C ATOM 944 OD1 ASP A 58 -9.367 2.108 -9.313 1.00 0.00 O ATOM 945 OD2 ASP A 58 -8.591 0.087 -8.963 1.00 0.00 O ATOM 0 H ASP A 58 -8.550 1.865 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.236 3.135 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.563 0.270 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.045 0.661 -7.510 1.00 0.00 H new ATOM 950 N LYS A 59 -12.217 3.211 -5.860 1.00 0.00 N ATOM 951 CA LYS A 59 -13.312 3.415 -4.941 1.00 0.00 C ATOM 952 C LYS A 59 -14.183 2.164 -4.848 1.00 0.00 C ATOM 953 O LYS A 59 -14.708 1.845 -3.780 1.00 0.00 O ATOM 954 CB LYS A 59 -14.103 4.668 -5.363 1.00 0.00 C ATOM 955 CG LYS A 59 -15.596 4.612 -5.095 1.00 0.00 C ATOM 956 CD LYS A 59 -16.326 4.001 -6.276 1.00 0.00 C ATOM 957 CE LYS A 59 -17.768 3.675 -5.932 1.00 0.00 C ATOM 958 NZ LYS A 59 -18.547 4.892 -5.583 1.00 0.00 N ATOM 0 H LYS A 59 -12.258 3.790 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.927 3.589 -3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.689 5.532 -4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.948 4.834 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.788 4.024 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.975 5.616 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.299 4.692 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.812 3.093 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -18.238 3.174 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.792 2.977 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -19.544 4.636 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.166 5.310 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.476 5.583 -6.357 1.00 0.00 H new ATOM 972 N HIS A 60 -14.330 1.457 -5.963 1.00 0.00 N ATOM 973 CA HIS A 60 -15.093 0.216 -5.969 1.00 0.00 C ATOM 974 C HIS A 60 -14.342 -0.901 -5.250 1.00 0.00 C ATOM 975 O HIS A 60 -14.942 -1.709 -4.551 1.00 0.00 O ATOM 976 CB HIS A 60 -15.452 -0.212 -7.390 1.00 0.00 C ATOM 977 CG HIS A 60 -16.447 -1.333 -7.425 1.00 0.00 C ATOM 978 ND1 HIS A 60 -17.684 -1.250 -6.827 1.00 0.00 N ATOM 979 CD2 HIS A 60 -16.378 -2.573 -7.965 1.00 0.00 C ATOM 980 CE1 HIS A 60 -18.331 -2.384 -6.997 1.00 0.00 C ATOM 981 NE2 HIS A 60 -17.562 -3.206 -7.684 1.00 0.00 N ATOM 0 H HIS A 60 -13.935 1.719 -6.866 1.00 0.00 H new ATOM 0 HA HIS A 60 -16.020 0.406 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.856 0.644 -7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.546 -0.520 -7.912 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -18.044 -0.436 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -15.545 -2.987 -8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -19.324 -2.604 -6.635 1.00 0.00 H new ATOM 990 N LYS A 61 -13.029 -0.950 -5.419 1.00 0.00 N ATOM 991 CA LYS A 61 -12.235 -2.008 -4.805 1.00 0.00 C ATOM 992 C LYS A 61 -12.203 -1.850 -3.293 1.00 0.00 C ATOM 993 O LYS A 61 -12.394 -2.818 -2.560 1.00 0.00 O ATOM 994 CB LYS A 61 -10.800 -2.022 -5.349 1.00 0.00 C ATOM 995 CG LYS A 61 -10.626 -2.728 -6.688 1.00 0.00 C ATOM 996 CD LYS A 61 -11.350 -2.023 -7.815 1.00 0.00 C ATOM 997 CE LYS A 61 -10.990 -2.627 -9.157 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.550 -2.438 -9.488 1.00 0.00 N ATOM 0 H LYS A 61 -12.494 -0.278 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.711 -2.956 -5.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.456 -0.993 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.154 -2.503 -4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.564 -2.791 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.996 -3.750 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.427 -2.092 -7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.094 -0.963 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.223 -3.692 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.603 -2.172 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.436 -2.378 -10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.205 -1.560 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.002 -3.244 -9.126 1.00 0.00 H new ATOM 1012 N ARG A 62 -11.985 -0.629 -2.825 1.00 0.00 N ATOM 1013 CA ARG A 62 -11.896 -0.383 -1.395 1.00 0.00 C ATOM 1014 C ARG A 62 -13.243 -0.590 -0.708 1.00 0.00 C ATOM 1015 O ARG A 62 -13.290 -1.042 0.434 1.00 0.00 O ATOM 1016 CB ARG A 62 -11.339 1.009 -1.090 1.00 0.00 C ATOM 1017 CG ARG A 62 -12.147 2.154 -1.669 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.922 3.424 -0.870 1.00 0.00 C ATOM 1019 NE ARG A 62 -12.134 3.188 0.558 1.00 0.00 N ATOM 1020 CZ ARG A 62 -13.006 3.856 1.305 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -13.690 4.869 0.794 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -13.179 3.514 2.575 1.00 0.00 N ATOM 0 H ARG A 62 -11.868 0.199 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.195 -1.114 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.281 1.133 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.321 1.070 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.863 2.317 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.206 1.898 -1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.908 3.788 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.601 4.202 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.576 2.463 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.549 5.141 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.358 5.377 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.644 2.742 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.847 4.023 3.154 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.340 -0.269 -1.395 1.00 0.00 N ATOM 1037 CA GLU A 63 -15.665 -0.483 -0.820 1.00 0.00 C ATOM 1038 C GLU A 63 -15.956 -1.981 -0.731 1.00 0.00 C ATOM 1039 O GLU A 63 -16.563 -2.453 0.233 1.00 0.00 O ATOM 1040 CB GLU A 63 -16.755 0.235 -1.631 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.089 -0.417 -2.964 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.163 0.323 -3.733 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -19.227 0.613 -3.149 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -17.949 0.620 -4.928 1.00 0.00 O ATOM 0 H GLU A 63 -14.338 0.133 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.674 -0.057 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.662 0.286 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.436 1.261 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.186 -0.470 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.416 -1.442 -2.789 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.500 -2.725 -1.736 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.612 -4.175 -1.732 1.00 0.00 C ATOM 1053 C ILE A 64 -14.747 -4.763 -0.624 1.00 0.00 C ATOM 1054 O ILE A 64 -15.185 -5.632 0.123 1.00 0.00 O ATOM 1055 CB ILE A 64 -15.208 -4.775 -3.104 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -16.259 -4.432 -4.164 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -15.021 -6.284 -3.012 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -17.650 -4.936 -3.835 1.00 0.00 C ATOM 0 H ILE A 64 -15.048 -2.342 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.655 -4.433 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 64 -14.254 -4.335 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -16.295 -3.350 -4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.947 -4.853 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.738 -6.676 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.237 -6.510 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.954 -6.747 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.337 -4.654 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -17.631 -6.022 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.984 -4.495 -2.896 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.533 -4.251 -0.503 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.600 -4.697 0.525 1.00 0.00 C ATOM 1072 C TYR A 65 -13.152 -4.408 1.922 1.00 0.00 C ATOM 1073 O TYR A 65 -12.928 -5.170 2.858 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.251 -4.008 0.333 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.127 -4.597 1.158 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.509 -5.779 0.769 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -9.677 -3.969 2.312 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -8.477 -6.320 1.509 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -8.644 -4.506 3.059 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.047 -5.680 2.652 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.014 -6.218 3.389 1.00 0.00 O ATOM 0 H TYR A 65 -13.166 -3.518 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.466 -5.775 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.977 -4.059 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.356 -2.953 0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.841 -6.283 -0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.141 -3.047 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.008 -7.241 1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.307 -4.008 3.956 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.832 -5.645 4.163 1.00 0.00 H new ATOM 1091 N ASP A 66 -13.873 -3.302 2.050 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.442 -2.897 3.331 1.00 0.00 C ATOM 1093 C ASP A 66 -15.546 -3.850 3.782 1.00 0.00 C ATOM 1094 O ASP A 66 -15.564 -4.304 4.927 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.014 -1.486 3.209 1.00 0.00 C ATOM 1096 CG ASP A 66 -15.657 -0.992 4.491 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -14.948 -0.388 5.324 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -16.881 -1.180 4.660 1.00 0.00 O ATOM 0 H ASP A 66 -14.079 -2.666 1.280 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.646 -2.922 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.217 -0.801 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.753 -1.468 2.408 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.450 -4.168 2.869 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.615 -4.980 3.209 1.00 0.00 C ATOM 1105 C ARG A 67 -17.353 -6.480 3.049 1.00 0.00 C ATOM 1106 O ARG A 67 -17.878 -7.292 3.809 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.813 -4.552 2.360 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.674 -4.869 0.881 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.421 -3.861 0.031 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.798 -3.663 0.490 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.485 -2.534 0.304 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -20.945 -1.532 -0.380 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.713 -2.407 0.791 1.00 0.00 N ATOM 0 H ARG A 67 -16.403 -3.880 1.892 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.834 -4.810 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.708 -5.042 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.962 -3.479 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.620 -4.871 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.057 -5.870 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.892 -2.908 0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.430 -4.198 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.258 -4.431 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.004 -1.625 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.471 -0.670 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.137 -3.175 1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.232 -1.541 0.645 1.00 0.00 H new ATOM 1127 N TYR A 68 -16.546 -6.847 2.066 1.00 0.00 N ATOM 1128 CA TYR A 68 -16.323 -8.251 1.744 1.00 0.00 C ATOM 1129 C TYR A 68 -14.950 -8.711 2.232 1.00 0.00 C ATOM 1130 O TYR A 68 -14.599 -9.883 2.132 1.00 0.00 O ATOM 1131 CB TYR A 68 -16.465 -8.459 0.230 1.00 0.00 C ATOM 1132 CG TYR A 68 -16.380 -9.902 -0.213 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -17.378 -10.809 0.117 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -15.301 -10.356 -0.961 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -17.304 -12.128 -0.286 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -15.219 -11.674 -1.368 1.00 0.00 C ATOM 1137 CZ TYR A 68 -16.223 -12.555 -1.029 1.00 0.00 C ATOM 1138 OH TYR A 68 -16.144 -13.867 -1.434 1.00 0.00 O ATOM 0 H TYR A 68 -16.033 -6.192 1.475 1.00 0.00 H new ATOM 0 HA TYR A 68 -17.072 -8.855 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -17.422 -8.048 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.686 -7.889 -0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -18.226 -10.478 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.513 -9.667 -1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -18.088 -12.821 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.373 -12.012 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 68 -15.321 -14.001 -1.949 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.180 -7.775 2.769 1.00 0.00 N ATOM 1149 CA GLY A 69 -12.866 -8.097 3.294 1.00 0.00 C ATOM 1150 C GLY A 69 -12.931 -9.079 4.439 1.00 0.00 C ATOM 1151 O GLY A 69 -12.224 -10.088 4.455 1.00 0.00 O ATOM 0 H GLY A 69 -14.443 -6.793 2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.250 -8.513 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.377 -7.182 3.630 1.00 0.00 H new ATOM 1155 N ARG A 70 -13.779 -8.760 5.401 1.00 0.00 N ATOM 1156 CA ARG A 70 -13.986 -9.608 6.570 1.00 0.00 C ATOM 1157 C ARG A 70 -14.486 -10.996 6.183 1.00 0.00 C ATOM 1158 O ARG A 70 -14.104 -11.990 6.795 1.00 0.00 O ATOM 1159 CB ARG A 70 -14.985 -8.958 7.523 1.00 0.00 C ATOM 1160 CG ARG A 70 -14.483 -7.672 8.152 1.00 0.00 C ATOM 1161 CD ARG A 70 -13.220 -7.913 8.964 1.00 0.00 C ATOM 1162 NE ARG A 70 -12.845 -6.749 9.762 1.00 0.00 N ATOM 1163 CZ ARG A 70 -11.639 -6.572 10.296 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -10.673 -7.455 10.077 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -11.406 -5.506 11.049 1.00 0.00 N ATOM 0 H ARG A 70 -14.343 -7.910 5.398 1.00 0.00 H new ATOM 0 HA ARG A 70 -13.021 -9.720 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.908 -8.750 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.232 -9.666 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.282 -6.937 7.372 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.257 -7.252 8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.371 -8.769 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.401 -8.169 8.291 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.550 -6.028 9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.853 -8.274 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.750 -7.314 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.149 -4.827 11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.484 -5.364 11.461 1.00 0.00 H new ATOM 1179 N GLU A 71 -15.343 -11.054 5.173 1.00 0.00 N ATOM 1180 CA GLU A 71 -15.954 -12.308 4.757 1.00 0.00 C ATOM 1181 C GLU A 71 -15.001 -13.121 3.890 1.00 0.00 C ATOM 1182 O GLU A 71 -15.068 -12.998 2.653 1.00 0.00 O ATOM 1183 CB GLU A 71 -17.263 -12.037 4.011 1.00 0.00 C ATOM 1184 CG GLU A 71 -18.314 -11.363 4.876 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.674 -12.186 6.095 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -19.527 -13.086 5.979 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -18.107 -11.939 7.178 1.00 0.00 O ATOM 0 H GLU A 71 -15.631 -10.244 4.625 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.174 -12.893 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.057 -11.409 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -17.661 -12.979 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.947 -10.388 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.211 -11.187 4.282 1.00 0.00 H new TER 1194 GLU A 71