USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=20 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+ -169:sc= -0.0146 (180deg=-0.164) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 15 SER OG : rot -105:sc= 1.23 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc=-0.00952 (180deg=-0.126) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 1.01 (180deg=0.945) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0.00063) USER MOD Single : A 31 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.1) USER MOD Single : A 35 ASN : amide:sc= -6.14! C(o=-6.1!,f=-6.9!) USER MOD Single : A 38 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.872 (180deg=0.844) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0.501!) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc=0.000758 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= 0.183 (180deg=-0.266!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 63:sc= 1.3 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 1.03 K(o=1,f=-4.2!) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= -0.0078 (180deg=-0.119) 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 -8.817 1.250 13.509 1.00 0.00 N ATOM 2 CA MET A 1 -9.338 2.530 12.981 1.00 0.00 C ATOM 3 C MET A 1 -8.629 2.881 11.679 1.00 0.00 C ATOM 4 O MET A 1 -7.565 3.509 11.692 1.00 0.00 O ATOM 5 CB MET A 1 -9.137 3.657 14.002 1.00 0.00 C ATOM 6 CG MET A 1 -9.722 3.359 15.370 1.00 0.00 C ATOM 7 SD MET A 1 -11.478 2.963 15.310 1.00 0.00 S ATOM 8 CE MET A 1 -11.792 2.624 17.042 1.00 0.00 C ATOM 0 H1 MET A 1 -9.425 0.922 14.287 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.811 0.538 12.751 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.848 1.388 13.861 1.00 0.00 H new ATOM 0 HA MET A 1 -10.406 2.418 12.792 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.070 3.851 14.109 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.590 4.570 13.615 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.182 2.524 15.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.571 4.221 16.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.841 2.361 17.177 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.165 1.795 17.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.561 3.510 17.634 1.00 0.00 H new ATOM 20 N ALA A 2 -9.229 2.453 10.564 1.00 0.00 N ATOM 21 CA ALA A 2 -8.675 2.639 9.221 1.00 0.00 C ATOM 22 C ALA A 2 -7.432 1.777 9.000 1.00 0.00 C ATOM 23 O ALA A 2 -7.423 0.901 8.137 1.00 0.00 O ATOM 24 CB ALA A 2 -8.376 4.107 8.937 1.00 0.00 C ATOM 0 H ALA A 2 -10.123 1.962 10.570 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.437 2.311 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.966 4.207 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.296 4.687 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.652 4.478 9.662 1.00 0.00 H new ATOM 30 N SER A 3 -6.383 2.055 9.776 1.00 0.00 N ATOM 31 CA SER A 3 -5.124 1.301 9.736 1.00 0.00 C ATOM 32 C SER A 3 -4.381 1.462 8.402 1.00 0.00 C ATOM 33 O SER A 3 -3.260 0.975 8.250 1.00 0.00 O ATOM 34 CB SER A 3 -5.383 -0.183 10.023 1.00 0.00 C ATOM 35 OG SER A 3 -6.031 -0.355 11.274 1.00 0.00 O ATOM 0 H SER A 3 -6.381 2.815 10.456 1.00 0.00 H new ATOM 0 HA SER A 3 -4.480 1.715 10.512 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.998 -0.608 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.439 -0.727 10.021 1.00 0.00 H new ATOM 0 HG SER A 3 -6.187 -1.309 11.433 1.00 0.00 H new ATOM 41 N TYR A 4 -4.989 2.169 7.452 1.00 0.00 N ATOM 42 CA TYR A 4 -4.407 2.333 6.124 1.00 0.00 C ATOM 43 C TYR A 4 -3.148 3.194 6.178 1.00 0.00 C ATOM 44 O TYR A 4 -2.240 3.038 5.364 1.00 0.00 O ATOM 45 CB TYR A 4 -5.419 2.955 5.156 1.00 0.00 C ATOM 46 CG TYR A 4 -6.731 2.206 5.065 1.00 0.00 C ATOM 47 CD1 TYR A 4 -6.780 0.892 4.612 1.00 0.00 C ATOM 48 CD2 TYR A 4 -7.924 2.821 5.422 1.00 0.00 C ATOM 49 CE1 TYR A 4 -7.982 0.214 4.521 1.00 0.00 C ATOM 50 CE2 TYR A 4 -9.128 2.149 5.336 1.00 0.00 C ATOM 51 CZ TYR A 4 -9.153 0.846 4.886 1.00 0.00 C ATOM 52 OH TYR A 4 -10.354 0.177 4.796 1.00 0.00 O ATOM 0 H TYR A 4 -5.886 2.638 7.579 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.136 1.341 5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.620 3.980 5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.972 3.005 4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.865 0.393 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.910 3.842 5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.004 -0.806 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.046 2.642 5.620 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.079 0.765 5.093 1.00 0.00 H new ATOM 62 N TYR A 5 -3.093 4.097 7.145 1.00 0.00 N ATOM 63 CA TYR A 5 -1.929 4.954 7.314 1.00 0.00 C ATOM 64 C TYR A 5 -0.696 4.128 7.674 1.00 0.00 C ATOM 65 O TYR A 5 0.426 4.473 7.309 1.00 0.00 O ATOM 66 CB TYR A 5 -2.201 6.030 8.375 1.00 0.00 C ATOM 67 CG TYR A 5 -2.699 5.495 9.701 1.00 0.00 C ATOM 68 CD1 TYR A 5 -4.044 5.210 9.893 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.826 5.281 10.761 1.00 0.00 C ATOM 70 CE1 TYR A 5 -4.504 4.724 11.099 1.00 0.00 C ATOM 71 CE2 TYR A 5 -2.281 4.793 11.971 1.00 0.00 C ATOM 72 CZ TYR A 5 -3.620 4.518 12.134 1.00 0.00 C ATOM 73 OH TYR A 5 -4.081 4.026 13.333 1.00 0.00 O ATOM 0 H TYR A 5 -3.838 4.255 7.823 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.731 5.455 6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.283 6.593 8.547 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.937 6.732 7.982 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.742 5.372 9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.776 5.500 10.637 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.554 4.506 11.231 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.590 4.628 12.784 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.333 3.936 13.959 1.00 0.00 H new ATOM 83 N GLU A 6 -0.913 3.037 8.398 1.00 0.00 N ATOM 84 CA GLU A 6 0.166 2.122 8.737 1.00 0.00 C ATOM 85 C GLU A 6 0.570 1.274 7.538 1.00 0.00 C ATOM 86 O GLU A 6 1.756 1.092 7.271 1.00 0.00 O ATOM 87 CB GLU A 6 -0.233 1.220 9.900 1.00 0.00 C ATOM 88 CG GLU A 6 -0.256 1.946 11.228 1.00 0.00 C ATOM 89 CD GLU A 6 1.101 2.507 11.603 1.00 0.00 C ATOM 90 OE1 GLU A 6 1.969 1.731 12.059 1.00 0.00 O ATOM 91 OE2 GLU A 6 1.312 3.722 11.435 1.00 0.00 O ATOM 0 H GLU A 6 -1.827 2.766 8.761 1.00 0.00 H new ATOM 0 HA GLU A 6 1.023 2.725 9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.219 0.799 9.705 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.464 0.384 9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.982 2.758 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.591 1.262 12.007 1.00 0.00 H new ATOM 98 N ILE A 7 -0.424 0.768 6.814 1.00 0.00 N ATOM 99 CA ILE A 7 -0.167 -0.148 5.710 1.00 0.00 C ATOM 100 C ILE A 7 0.485 0.571 4.532 1.00 0.00 C ATOM 101 O ILE A 7 1.362 0.018 3.864 1.00 0.00 O ATOM 102 CB ILE A 7 -1.465 -0.880 5.260 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.506 0.077 4.670 1.00 0.00 C ATOM 104 CG2 ILE A 7 -2.074 -1.628 6.432 1.00 0.00 C ATOM 105 CD1 ILE A 7 -2.464 0.188 3.161 1.00 0.00 C ATOM 0 H ILE A 7 -1.410 0.976 6.972 1.00 0.00 H new ATOM 0 HA ILE A 7 0.531 -0.902 6.073 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.178 -1.579 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.500 -0.255 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.357 1.067 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.982 -2.137 6.107 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.360 -2.362 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.318 -0.923 7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.232 0.885 2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.484 0.551 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.645 -0.792 2.719 1.00 0.00 H new ATOM 117 N LEU A 8 0.055 1.801 4.285 1.00 0.00 N ATOM 118 CA LEU A 8 0.593 2.592 3.194 1.00 0.00 C ATOM 119 C LEU A 8 1.611 3.600 3.708 1.00 0.00 C ATOM 120 O LEU A 8 2.810 3.326 3.732 1.00 0.00 O ATOM 121 CB LEU A 8 -0.537 3.310 2.448 1.00 0.00 C ATOM 122 CG LEU A 8 -0.112 4.071 1.191 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.456 3.118 0.153 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.287 4.848 0.618 1.00 0.00 C ATOM 0 H LEU A 8 -0.668 2.271 4.830 1.00 0.00 H new ATOM 0 HA LEU A 8 1.098 1.919 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.291 2.574 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.014 4.011 3.133 1.00 0.00 H new ATOM 0 HG LEU A 8 0.669 4.780 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.752 3.680 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.326 2.607 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.302 2.383 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.968 5.384 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.089 4.157 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.648 5.561 1.359 1.00 0.00 H new ATOM 136 N ASP A 9 1.110 4.743 4.158 1.00 0.00 N ATOM 137 CA ASP A 9 1.948 5.848 4.624 1.00 0.00 C ATOM 138 C ASP A 9 1.055 7.023 4.979 1.00 0.00 C ATOM 139 O ASP A 9 1.322 7.775 5.916 1.00 0.00 O ATOM 140 CB ASP A 9 2.964 6.271 3.550 1.00 0.00 C ATOM 141 CG ASP A 9 3.897 7.371 4.024 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.824 7.076 4.803 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.720 8.534 3.604 1.00 0.00 O ATOM 0 H ASP A 9 0.109 4.934 4.212 1.00 0.00 H new ATOM 0 HA ASP A 9 2.508 5.519 5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.554 5.404 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.429 6.612 2.664 1.00 0.00 H new ATOM 148 N VAL A 10 -0.034 7.143 4.235 1.00 0.00 N ATOM 149 CA VAL A 10 -1.007 8.200 4.449 1.00 0.00 C ATOM 150 C VAL A 10 -2.372 7.600 4.773 1.00 0.00 C ATOM 151 O VAL A 10 -2.642 6.443 4.440 1.00 0.00 O ATOM 152 CB VAL A 10 -1.135 9.119 3.210 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.170 9.853 2.944 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.560 8.322 1.984 1.00 0.00 C ATOM 0 H VAL A 10 -0.267 6.512 3.468 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.656 8.801 5.288 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.907 9.859 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.056 10.493 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.427 10.464 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.964 9.129 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.643 8.990 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.817 7.553 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.525 7.852 2.172 1.00 0.00 H new ATOM 164 N PRO A 11 -3.239 8.369 5.448 1.00 0.00 N ATOM 165 CA PRO A 11 -4.569 7.906 5.848 1.00 0.00 C ATOM 166 C PRO A 11 -5.578 7.931 4.699 1.00 0.00 C ATOM 167 O PRO A 11 -5.244 8.289 3.572 1.00 0.00 O ATOM 168 CB PRO A 11 -4.963 8.915 6.921 1.00 0.00 C ATOM 169 CG PRO A 11 -4.299 10.175 6.494 1.00 0.00 C ATOM 170 CD PRO A 11 -2.989 9.759 5.884 1.00 0.00 C ATOM 0 HA PRO A 11 -4.559 6.869 6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.045 9.034 6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.624 8.600 7.908 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.912 10.716 5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.142 10.841 7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.715 10.400 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.174 9.813 6.606 1.00 0.00 H new ATOM 178 N ARG A 12 -6.823 7.572 5.002 1.00 0.00 N ATOM 179 CA ARG A 12 -7.871 7.512 3.987 1.00 0.00 C ATOM 180 C ARG A 12 -8.384 8.904 3.645 1.00 0.00 C ATOM 181 O ARG A 12 -8.957 9.125 2.578 1.00 0.00 O ATOM 182 CB ARG A 12 -9.033 6.633 4.448 1.00 0.00 C ATOM 183 CG ARG A 12 -9.579 6.976 5.827 1.00 0.00 C ATOM 184 CD ARG A 12 -10.805 6.136 6.159 1.00 0.00 C ATOM 185 NE ARG A 12 -11.319 6.401 7.504 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.618 6.434 7.812 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.534 6.297 6.858 1.00 0.00 N ATOM 188 NH2 ARG A 12 -12.999 6.621 9.071 1.00 0.00 N ATOM 0 H ARG A 12 -7.130 7.319 5.941 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.431 7.071 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.842 6.712 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.706 5.593 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.807 6.810 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.839 8.034 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.588 6.337 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.552 5.079 6.072 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.645 6.571 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.245 6.166 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.526 6.323 7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.299 6.740 9.803 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.991 6.646 9.305 1.00 0.00 H new ATOM 202 N SER A 13 -8.175 9.831 4.562 1.00 0.00 N ATOM 203 CA SER A 13 -8.595 11.212 4.377 1.00 0.00 C ATOM 204 C SER A 13 -7.626 11.979 3.474 1.00 0.00 C ATOM 205 O SER A 13 -7.801 13.172 3.234 1.00 0.00 O ATOM 206 CB SER A 13 -8.718 11.895 5.739 1.00 0.00 C ATOM 207 OG SER A 13 -7.638 11.538 6.589 1.00 0.00 O ATOM 0 H SER A 13 -7.712 9.651 5.453 1.00 0.00 H new ATOM 0 HA SER A 13 -9.566 11.213 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.738 12.977 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.661 11.613 6.207 1.00 0.00 H new ATOM 0 HG SER A 13 -7.739 11.989 7.453 1.00 0.00 H new ATOM 213 N ALA A 14 -6.606 11.289 2.981 1.00 0.00 N ATOM 214 CA ALA A 14 -5.639 11.890 2.074 1.00 0.00 C ATOM 215 C ALA A 14 -6.145 11.842 0.636 1.00 0.00 C ATOM 216 O ALA A 14 -6.852 10.910 0.244 1.00 0.00 O ATOM 217 CB ALA A 14 -4.287 11.202 2.194 1.00 0.00 C ATOM 0 H ALA A 14 -6.427 10.308 3.196 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.513 12.936 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.580 11.667 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.919 11.299 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.393 10.146 1.945 1.00 0.00 H new ATOM 223 N SER A 15 -5.806 12.868 -0.132 1.00 0.00 N ATOM 224 CA SER A 15 -6.219 12.965 -1.523 1.00 0.00 C ATOM 225 C SER A 15 -5.487 11.936 -2.378 1.00 0.00 C ATOM 226 O SER A 15 -4.443 11.427 -1.971 1.00 0.00 O ATOM 227 CB SER A 15 -5.961 14.382 -2.048 1.00 0.00 C ATOM 228 OG SER A 15 -6.345 14.516 -3.406 1.00 0.00 O ATOM 0 H SER A 15 -5.240 13.653 0.191 1.00 0.00 H new ATOM 0 HA SER A 15 -7.287 12.756 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.512 15.101 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.903 14.622 -1.944 1.00 0.00 H new ATOM 0 HG SER A 15 -5.545 14.526 -3.973 1.00 0.00 H new ATOM 234 N ALA A 16 -6.027 11.641 -3.554 1.00 0.00 N ATOM 235 CA ALA A 16 -5.487 10.585 -4.415 1.00 0.00 C ATOM 236 C ALA A 16 -3.988 10.766 -4.658 1.00 0.00 C ATOM 237 O ALA A 16 -3.214 9.806 -4.591 1.00 0.00 O ATOM 238 CB ALA A 16 -6.235 10.554 -5.741 1.00 0.00 C ATOM 0 H ALA A 16 -6.842 12.118 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.627 9.634 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.825 9.765 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.292 10.359 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.125 11.515 -6.244 1.00 0.00 H new ATOM 244 N ASP A 17 -3.586 12.006 -4.904 1.00 0.00 N ATOM 245 CA ASP A 17 -2.188 12.337 -5.163 1.00 0.00 C ATOM 246 C ASP A 17 -1.300 11.997 -3.967 1.00 0.00 C ATOM 247 O ASP A 17 -0.159 11.562 -4.136 1.00 0.00 O ATOM 248 CB ASP A 17 -2.048 13.818 -5.528 1.00 0.00 C ATOM 249 CG ASP A 17 -2.819 14.739 -4.604 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.065 14.784 -4.706 1.00 0.00 O ATOM 251 OD2 ASP A 17 -2.188 15.439 -3.788 1.00 0.00 O ATOM 0 H ASP A 17 -4.215 12.808 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.855 11.732 -6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.993 14.092 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.395 13.967 -6.551 1.00 0.00 H new ATOM 256 N ASP A 18 -1.831 12.180 -2.764 1.00 0.00 N ATOM 257 CA ASP A 18 -1.102 11.844 -1.543 1.00 0.00 C ATOM 258 C ASP A 18 -0.822 10.349 -1.486 1.00 0.00 C ATOM 259 O ASP A 18 0.294 9.927 -1.193 1.00 0.00 O ATOM 260 CB ASP A 18 -1.885 12.261 -0.292 1.00 0.00 C ATOM 261 CG ASP A 18 -1.989 13.764 -0.136 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.977 14.403 0.228 1.00 0.00 O ATOM 263 OD2 ASP A 18 -3.082 14.317 -0.369 1.00 0.00 O ATOM 0 H ASP A 18 -2.764 12.559 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.160 12.392 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.887 11.835 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.401 11.842 0.590 1.00 0.00 H new ATOM 268 N ILE A 19 -1.845 9.555 -1.787 1.00 0.00 N ATOM 269 CA ILE A 19 -1.722 8.099 -1.764 1.00 0.00 C ATOM 270 C ILE A 19 -0.698 7.613 -2.782 1.00 0.00 C ATOM 271 O ILE A 19 0.143 6.774 -2.465 1.00 0.00 O ATOM 272 CB ILE A 19 -3.083 7.399 -2.013 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.922 7.395 -0.741 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.904 5.975 -2.527 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.602 8.708 -0.473 1.00 0.00 C ATOM 0 H ILE A 19 -2.770 9.895 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.379 7.832 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.604 7.967 -2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.676 6.611 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.284 7.145 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.882 5.521 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.353 5.994 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.349 5.390 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.182 8.636 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.852 9.492 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.266 8.950 -1.303 1.00 0.00 H new ATOM 287 N LYS A 20 -0.762 8.144 -3.998 1.00 0.00 N ATOM 288 CA LYS A 20 0.157 7.733 -5.057 1.00 0.00 C ATOM 289 C LYS A 20 1.596 8.066 -4.690 1.00 0.00 C ATOM 290 O LYS A 20 2.510 7.275 -4.938 1.00 0.00 O ATOM 291 CB LYS A 20 -0.220 8.390 -6.384 1.00 0.00 C ATOM 292 CG LYS A 20 -1.581 7.960 -6.894 1.00 0.00 C ATOM 293 CD LYS A 20 -1.857 8.513 -8.280 1.00 0.00 C ATOM 294 CE LYS A 20 -3.220 8.075 -8.785 1.00 0.00 C ATOM 295 NZ LYS A 20 -3.469 8.529 -10.175 1.00 0.00 N ATOM 0 H LYS A 20 -1.437 8.857 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 20 0.076 6.652 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.210 9.473 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.535 8.146 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.634 6.872 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.353 8.301 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.808 9.602 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.084 8.174 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.291 6.988 -8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.995 8.473 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.410 8.209 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.427 9.567 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.745 8.129 -10.806 1.00 0.00 H new ATOM 309 N LYS A 21 1.797 9.228 -4.086 1.00 0.00 N ATOM 310 CA LYS A 21 3.120 9.624 -3.638 1.00 0.00 C ATOM 311 C LYS A 21 3.562 8.726 -2.488 1.00 0.00 C ATOM 312 O LYS A 21 4.708 8.282 -2.443 1.00 0.00 O ATOM 313 CB LYS A 21 3.127 11.090 -3.198 1.00 0.00 C ATOM 314 CG LYS A 21 4.299 11.897 -3.747 1.00 0.00 C ATOM 315 CD LYS A 21 4.231 12.023 -5.265 1.00 0.00 C ATOM 316 CE LYS A 21 5.052 10.962 -5.970 1.00 0.00 C ATOM 317 NZ LYS A 21 6.515 11.182 -5.812 1.00 0.00 N ATOM 0 H LYS A 21 1.062 9.910 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 21 3.818 9.515 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.196 11.559 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.149 11.132 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.299 12.890 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.236 11.418 -3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.192 11.948 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.586 13.010 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.790 9.981 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.800 10.956 -7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.030 10.601 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.734 12.186 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.805 10.914 -4.850 1.00 0.00 H new ATOM 331 N ALA A 22 2.632 8.451 -1.577 1.00 0.00 N ATOM 332 CA ALA A 22 2.882 7.573 -0.439 1.00 0.00 C ATOM 333 C ALA A 22 3.258 6.172 -0.904 1.00 0.00 C ATOM 334 O ALA A 22 4.182 5.552 -0.379 1.00 0.00 O ATOM 335 CB ALA A 22 1.651 7.513 0.455 1.00 0.00 C ATOM 0 H ALA A 22 1.686 8.830 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 22 3.718 7.981 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.848 6.855 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.417 8.513 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.806 7.128 -0.115 1.00 0.00 H new ATOM 341 N TYR A 23 2.532 5.682 -1.894 1.00 0.00 N ATOM 342 CA TYR A 23 2.788 4.372 -2.463 1.00 0.00 C ATOM 343 C TYR A 23 4.180 4.315 -3.086 1.00 0.00 C ATOM 344 O TYR A 23 4.947 3.388 -2.826 1.00 0.00 O ATOM 345 CB TYR A 23 1.680 4.022 -3.478 1.00 0.00 C ATOM 346 CG TYR A 23 2.154 3.473 -4.812 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.613 2.167 -4.938 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.131 4.271 -5.950 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.037 1.675 -6.158 1.00 0.00 C ATOM 350 CE2 TYR A 23 2.552 3.784 -7.171 1.00 0.00 C ATOM 351 CZ TYR A 23 3.004 2.490 -7.269 1.00 0.00 C ATOM 352 OH TYR A 23 3.424 2.006 -8.486 1.00 0.00 O ATOM 0 H TYR A 23 1.752 6.179 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 23 2.767 3.622 -1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.014 3.290 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.089 4.918 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.639 1.527 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.778 5.289 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.392 0.658 -6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.526 4.417 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 23 3.335 2.707 -9.165 1.00 0.00 H new ATOM 362 N ARG A 24 4.514 5.316 -3.885 1.00 0.00 N ATOM 363 CA ARG A 24 5.800 5.342 -4.561 1.00 0.00 C ATOM 364 C ARG A 24 6.958 5.559 -3.599 1.00 0.00 C ATOM 365 O ARG A 24 8.001 4.942 -3.753 1.00 0.00 O ATOM 366 CB ARG A 24 5.805 6.382 -5.675 1.00 0.00 C ATOM 367 CG ARG A 24 5.213 5.846 -6.958 1.00 0.00 C ATOM 368 CD ARG A 24 4.952 6.949 -7.956 1.00 0.00 C ATOM 369 NE ARG A 24 4.342 6.419 -9.177 1.00 0.00 N ATOM 370 CZ ARG A 24 3.775 7.159 -10.126 1.00 0.00 C ATOM 371 NH1 ARG A 24 3.725 8.482 -10.013 1.00 0.00 N ATOM 372 NH2 ARG A 24 3.260 6.558 -11.189 1.00 0.00 N ATOM 0 H ARG A 24 3.915 6.118 -4.080 1.00 0.00 H new ATOM 0 HA ARG A 24 5.947 4.359 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.241 7.258 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.828 6.711 -5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.892 5.114 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.281 5.325 -6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.295 7.697 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.888 7.451 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 24 4.353 5.408 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.124 8.939 -9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.288 9.040 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.302 5.542 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.822 7.111 -11.925 1.00 0.00 H new ATOM 386 N ARG A 25 6.784 6.418 -2.604 1.00 0.00 N ATOM 387 CA ARG A 25 7.852 6.633 -1.625 1.00 0.00 C ATOM 388 C ARG A 25 8.142 5.345 -0.852 1.00 0.00 C ATOM 389 O ARG A 25 9.298 5.026 -0.575 1.00 0.00 O ATOM 390 CB ARG A 25 7.523 7.783 -0.660 1.00 0.00 C ATOM 391 CG ARG A 25 6.331 7.525 0.244 1.00 0.00 C ATOM 392 CD ARG A 25 6.090 8.676 1.208 1.00 0.00 C ATOM 393 NE ARG A 25 5.847 9.943 0.517 1.00 0.00 N ATOM 394 CZ ARG A 25 4.960 10.853 0.920 1.00 0.00 C ATOM 395 NH1 ARG A 25 4.155 10.597 1.946 1.00 0.00 N ATOM 396 NH2 ARG A 25 4.861 12.011 0.281 1.00 0.00 N ATOM 0 H ARG A 25 5.938 6.967 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 25 8.747 6.919 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.397 7.981 -0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.333 8.685 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.441 7.369 -0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.496 6.607 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.235 8.442 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.954 8.783 1.864 1.00 0.00 H new ATOM 0 HE ARG A 25 6.389 10.142 -0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.214 9.701 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.478 11.297 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.464 12.205 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.182 12.707 0.589 1.00 0.00 H new ATOM 410 N LYS A 26 7.094 4.589 -0.536 1.00 0.00 N ATOM 411 CA LYS A 26 7.246 3.313 0.145 1.00 0.00 C ATOM 412 C LYS A 26 7.892 2.295 -0.790 1.00 0.00 C ATOM 413 O LYS A 26 8.758 1.520 -0.388 1.00 0.00 O ATOM 414 CB LYS A 26 5.872 2.832 0.612 1.00 0.00 C ATOM 415 CG LYS A 26 5.885 1.529 1.389 1.00 0.00 C ATOM 416 CD LYS A 26 4.502 1.239 1.941 1.00 0.00 C ATOM 417 CE LYS A 26 4.465 -0.006 2.823 1.00 0.00 C ATOM 418 NZ LYS A 26 4.695 -1.262 2.057 1.00 0.00 N ATOM 0 H LYS A 26 6.128 4.842 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 26 7.895 3.430 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.424 3.606 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.229 2.713 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.205 0.713 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.606 1.590 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.159 2.098 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.805 1.113 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.222 0.083 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.498 -0.063 3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.676 -2.074 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.948 -1.374 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.621 -1.217 1.586 1.00 0.00 H new ATOM 432 N ALA A 27 7.467 2.321 -2.045 1.00 0.00 N ATOM 433 CA ALA A 27 8.019 1.444 -3.070 1.00 0.00 C ATOM 434 C ALA A 27 9.498 1.725 -3.312 1.00 0.00 C ATOM 435 O ALA A 27 10.303 0.806 -3.418 1.00 0.00 O ATOM 436 CB ALA A 27 7.242 1.605 -4.367 1.00 0.00 C ATOM 0 H ALA A 27 6.734 2.946 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 27 7.927 0.418 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.662 0.946 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.197 1.346 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.310 2.639 -4.706 1.00 0.00 H new ATOM 442 N LEU A 28 9.845 3.001 -3.404 1.00 0.00 N ATOM 443 CA LEU A 28 11.213 3.409 -3.699 1.00 0.00 C ATOM 444 C LEU A 28 12.156 3.161 -2.525 1.00 0.00 C ATOM 445 O LEU A 28 13.311 2.788 -2.726 1.00 0.00 O ATOM 446 CB LEU A 28 11.264 4.884 -4.110 1.00 0.00 C ATOM 447 CG LEU A 28 11.224 5.146 -5.618 1.00 0.00 C ATOM 448 CD1 LEU A 28 9.876 4.757 -6.192 1.00 0.00 C ATOM 449 CD2 LEU A 28 11.527 6.607 -5.910 1.00 0.00 C ATOM 0 H LEU A 28 9.194 3.776 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 28 11.553 2.793 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.425 5.402 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.175 5.325 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 28 11.988 4.532 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.868 4.951 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.697 3.697 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.093 5.343 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.495 6.777 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.785 7.237 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.519 6.855 -5.533 1.00 0.00 H new ATOM 461 N GLN A 29 11.677 3.368 -1.305 1.00 0.00 N ATOM 462 CA GLN A 29 12.517 3.186 -0.124 1.00 0.00 C ATOM 463 C GLN A 29 12.883 1.721 0.087 1.00 0.00 C ATOM 464 O GLN A 29 13.931 1.412 0.652 1.00 0.00 O ATOM 465 CB GLN A 29 11.841 3.755 1.119 1.00 0.00 C ATOM 466 CG GLN A 29 11.877 5.273 1.169 1.00 0.00 C ATOM 467 CD GLN A 29 11.232 5.827 2.417 1.00 0.00 C ATOM 468 OE1 GLN A 29 10.040 6.123 2.434 1.00 0.00 O ATOM 469 NE2 GLN A 29 12.013 5.958 3.477 1.00 0.00 N ATOM 0 H GLN A 29 10.720 3.660 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 29 13.442 3.736 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.804 3.420 1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.330 3.356 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.912 5.610 1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.368 5.674 0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.998 5.700 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.630 6.317 4.352 1.00 0.00 H new ATOM 478 N TRP A 30 12.019 0.822 -0.359 1.00 0.00 N ATOM 479 CA TRP A 30 12.325 -0.602 -0.312 1.00 0.00 C ATOM 480 C TRP A 30 12.578 -1.145 -1.713 1.00 0.00 C ATOM 481 O TRP A 30 12.498 -2.344 -1.961 1.00 0.00 O ATOM 482 CB TRP A 30 11.223 -1.388 0.395 1.00 0.00 C ATOM 483 CG TRP A 30 11.252 -1.218 1.884 1.00 0.00 C ATOM 484 CD1 TRP A 30 12.099 -1.838 2.754 1.00 0.00 C ATOM 485 CD2 TRP A 30 10.404 -0.381 2.679 1.00 0.00 C ATOM 486 NE1 TRP A 30 11.832 -1.438 4.040 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.798 -0.542 4.021 1.00 0.00 C ATOM 488 CE3 TRP A 30 9.355 0.487 2.387 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.175 0.130 5.066 1.00 0.00 C ATOM 490 CZ3 TRP A 30 8.738 1.159 3.425 1.00 0.00 C ATOM 491 CH2 TRP A 30 9.151 0.978 4.751 1.00 0.00 C ATOM 0 H TRP A 30 11.107 1.049 -0.755 1.00 0.00 H new ATOM 0 HA TRP A 30 13.238 -0.728 0.271 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.253 -1.066 0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.325 -2.446 0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 30 12.868 -2.542 2.472 1.00 0.00 H new ATOM 0 HE1 TRP A 30 12.325 -1.757 4.874 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.029 0.632 1.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.489 -0.013 6.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.924 1.835 3.210 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.650 1.519 5.540 1.00 0.00 H new ATOM 502 N HIS A 31 12.860 -0.241 -2.633 1.00 0.00 N ATOM 503 CA HIS A 31 13.278 -0.611 -3.974 1.00 0.00 C ATOM 504 C HIS A 31 14.718 -1.111 -3.897 1.00 0.00 C ATOM 505 O HIS A 31 15.510 -0.578 -3.132 1.00 0.00 O ATOM 506 CB HIS A 31 13.158 0.619 -4.886 1.00 0.00 C ATOM 507 CG HIS A 31 13.352 0.355 -6.346 1.00 0.00 C ATOM 508 ND1 HIS A 31 12.341 -0.083 -7.173 1.00 0.00 N ATOM 509 CD2 HIS A 31 14.445 0.489 -7.132 1.00 0.00 C ATOM 510 CE1 HIS A 31 12.803 -0.204 -8.403 1.00 0.00 C ATOM 511 NE2 HIS A 31 14.076 0.135 -8.404 1.00 0.00 N ATOM 0 H HIS A 31 12.806 0.765 -2.474 1.00 0.00 H new ATOM 0 HA HIS A 31 12.651 -1.401 -4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.173 1.063 -4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.891 1.360 -4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.425 0.814 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.234 -0.526 -9.263 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.688 0.134 -9.220 1.00 0.00 H new ATOM 520 N PRO A 32 15.072 -2.144 -4.695 1.00 0.00 N ATOM 521 CA PRO A 32 16.386 -2.813 -4.627 1.00 0.00 C ATOM 522 C PRO A 32 17.559 -1.853 -4.761 1.00 0.00 C ATOM 523 O PRO A 32 18.643 -2.099 -4.236 1.00 0.00 O ATOM 524 CB PRO A 32 16.366 -3.790 -5.814 1.00 0.00 C ATOM 525 CG PRO A 32 15.218 -3.350 -6.658 1.00 0.00 C ATOM 526 CD PRO A 32 14.215 -2.774 -5.708 1.00 0.00 C ATOM 0 HA PRO A 32 16.527 -3.293 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.302 -3.753 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.236 -4.818 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.533 -2.608 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.796 -4.188 -7.213 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.562 -2.050 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.574 -3.543 -5.277 1.00 0.00 H new ATOM 534 N ASP A 33 17.331 -0.767 -5.473 1.00 0.00 N ATOM 535 CA ASP A 33 18.332 0.274 -5.646 1.00 0.00 C ATOM 536 C ASP A 33 18.579 1.032 -4.334 1.00 0.00 C ATOM 537 O ASP A 33 19.644 1.612 -4.137 1.00 0.00 O ATOM 538 CB ASP A 33 17.877 1.231 -6.749 1.00 0.00 C ATOM 539 CG ASP A 33 18.878 2.326 -7.053 1.00 0.00 C ATOM 540 OD1 ASP A 33 19.973 2.016 -7.562 1.00 0.00 O ATOM 541 OD2 ASP A 33 18.555 3.507 -6.822 1.00 0.00 O ATOM 0 H ASP A 33 16.448 -0.579 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 33 19.276 -0.188 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.688 0.660 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.931 1.686 -6.456 1.00 0.00 H new ATOM 546 N LYS A 34 17.592 1.015 -3.430 1.00 0.00 N ATOM 547 CA LYS A 34 17.689 1.749 -2.170 1.00 0.00 C ATOM 548 C LYS A 34 17.528 0.837 -0.947 1.00 0.00 C ATOM 549 O LYS A 34 17.267 1.330 0.153 1.00 0.00 O ATOM 550 CB LYS A 34 16.618 2.843 -2.075 1.00 0.00 C ATOM 551 CG LYS A 34 16.859 4.071 -2.936 1.00 0.00 C ATOM 552 CD LYS A 34 16.408 3.847 -4.363 1.00 0.00 C ATOM 553 CE LYS A 34 16.452 5.136 -5.171 1.00 0.00 C ATOM 554 NZ LYS A 34 17.843 5.598 -5.420 1.00 0.00 N ATOM 0 H LYS A 34 16.720 0.501 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 34 18.686 2.189 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.656 2.410 -2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.538 3.160 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.325 4.922 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.920 4.322 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.046 3.099 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.393 3.449 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.946 4.982 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.903 5.914 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.822 6.513 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.341 5.706 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.341 4.899 -6.007 1.00 0.00 H new ATOM 568 N ASN A 35 17.694 -0.473 -1.102 1.00 0.00 N ATOM 569 CA ASN A 35 17.453 -1.374 0.029 1.00 0.00 C ATOM 570 C ASN A 35 18.762 -1.832 0.670 1.00 0.00 C ATOM 571 O ASN A 35 19.790 -1.970 -0.004 1.00 0.00 O ATOM 572 CB ASN A 35 16.564 -2.585 -0.351 1.00 0.00 C ATOM 573 CG ASN A 35 17.110 -3.516 -1.438 1.00 0.00 C ATOM 574 OD1 ASN A 35 16.337 -4.184 -2.118 1.00 0.00 O ATOM 575 ND2 ASN A 35 18.419 -3.588 -1.613 1.00 0.00 N ATOM 0 H ASN A 35 17.985 -0.927 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 35 16.899 -0.796 0.769 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.389 -3.176 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.595 -2.208 -0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.805 -4.208 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 35 19.042 -3.023 -1.036 1.00 0.00 H new ATOM 582 N PRO A 36 18.746 -2.022 2.001 1.00 0.00 N ATOM 583 CA PRO A 36 19.926 -2.422 2.761 1.00 0.00 C ATOM 584 C PRO A 36 20.199 -3.931 2.714 1.00 0.00 C ATOM 585 O PRO A 36 20.567 -4.471 1.669 1.00 0.00 O ATOM 586 CB PRO A 36 19.586 -1.964 4.180 1.00 0.00 C ATOM 587 CG PRO A 36 18.097 -2.037 4.267 1.00 0.00 C ATOM 588 CD PRO A 36 17.565 -1.835 2.871 1.00 0.00 C ATOM 0 HA PRO A 36 20.839 -1.983 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 36 20.056 -2.606 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 36 19.942 -0.950 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 36 17.780 -3.001 4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.712 -1.272 4.941 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.780 -2.554 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.134 -0.841 2.749 1.00 0.00 H new ATOM 596 N ASP A 37 20.015 -4.611 3.843 1.00 0.00 N ATOM 597 CA ASP A 37 20.365 -6.025 3.944 1.00 0.00 C ATOM 598 C ASP A 37 19.167 -6.922 3.639 1.00 0.00 C ATOM 599 O ASP A 37 19.321 -8.121 3.406 1.00 0.00 O ATOM 600 CB ASP A 37 20.899 -6.304 5.353 1.00 0.00 C ATOM 601 CG ASP A 37 21.188 -7.771 5.621 1.00 0.00 C ATOM 602 OD1 ASP A 37 22.241 -8.269 5.172 1.00 0.00 O ATOM 603 OD2 ASP A 37 20.366 -8.427 6.296 1.00 0.00 O ATOM 0 H ASP A 37 19.628 -4.208 4.696 1.00 0.00 H new ATOM 0 HA ASP A 37 21.133 -6.251 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.813 -5.730 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 37 20.173 -5.947 6.084 1.00 0.00 H new ATOM 608 N ASN A 38 17.983 -6.330 3.575 1.00 0.00 N ATOM 609 CA ASN A 38 16.773 -7.085 3.270 1.00 0.00 C ATOM 610 C ASN A 38 16.285 -6.788 1.861 1.00 0.00 C ATOM 611 O ASN A 38 15.933 -5.659 1.541 1.00 0.00 O ATOM 612 CB ASN A 38 15.655 -6.820 4.294 1.00 0.00 C ATOM 613 CG ASN A 38 15.280 -5.354 4.432 1.00 0.00 C ATOM 614 OD1 ASN A 38 14.412 -4.851 3.725 1.00 0.00 O ATOM 615 ND2 ASN A 38 15.910 -4.672 5.374 1.00 0.00 N ATOM 0 H ASN A 38 17.833 -5.333 3.729 1.00 0.00 H new ATOM 0 HA ASN A 38 17.033 -8.142 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.769 -7.386 4.004 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.970 -7.197 5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.680 -3.691 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.626 -5.127 5.941 1.00 0.00 H new ATOM 622 N LYS A 39 16.318 -7.794 1.005 1.00 0.00 N ATOM 623 CA LYS A 39 15.778 -7.658 -0.338 1.00 0.00 C ATOM 624 C LYS A 39 14.436 -8.369 -0.401 1.00 0.00 C ATOM 625 O LYS A 39 13.521 -7.945 -1.105 1.00 0.00 O ATOM 626 CB LYS A 39 16.733 -8.247 -1.392 1.00 0.00 C ATOM 627 CG LYS A 39 18.186 -7.817 -1.243 1.00 0.00 C ATOM 628 CD LYS A 39 18.892 -8.623 -0.164 1.00 0.00 C ATOM 629 CE LYS A 39 20.305 -8.133 0.086 1.00 0.00 C ATOM 630 NZ LYS A 39 20.969 -8.916 1.164 1.00 0.00 N ATOM 0 H LYS A 39 16.711 -8.712 1.214 1.00 0.00 H new ATOM 0 HA LYS A 39 15.656 -6.598 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.683 -9.335 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.382 -7.958 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.705 -7.944 -2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.230 -6.756 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.320 -8.566 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.920 -9.673 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.886 -8.210 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.283 -7.079 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.965 -8.625 1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.486 -8.741 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.921 -9.930 0.937 1.00 0.00 H new ATOM 644 N GLU A 40 14.325 -9.437 0.377 1.00 0.00 N ATOM 645 CA GLU A 40 13.103 -10.208 0.474 1.00 0.00 C ATOM 646 C GLU A 40 12.004 -9.385 1.134 1.00 0.00 C ATOM 647 O GLU A 40 10.862 -9.372 0.686 1.00 0.00 O ATOM 648 CB GLU A 40 13.375 -11.476 1.275 1.00 0.00 C ATOM 649 CG GLU A 40 13.221 -12.757 0.472 1.00 0.00 C ATOM 650 CD GLU A 40 11.795 -13.004 0.028 1.00 0.00 C ATOM 651 OE1 GLU A 40 11.400 -12.496 -1.037 1.00 0.00 O ATOM 652 OE2 GLU A 40 11.057 -13.712 0.742 1.00 0.00 O ATOM 0 H GLU A 40 15.085 -9.790 0.959 1.00 0.00 H new ATOM 0 HA GLU A 40 12.765 -10.478 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.387 -11.430 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.695 -11.509 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.867 -12.710 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.561 -13.600 1.073 1.00 0.00 H new ATOM 659 N PHE A 41 12.360 -8.693 2.202 1.00 0.00 N ATOM 660 CA PHE A 41 11.416 -7.827 2.894 1.00 0.00 C ATOM 661 C PHE A 41 11.122 -6.577 2.080 1.00 0.00 C ATOM 662 O PHE A 41 9.989 -6.100 2.054 1.00 0.00 O ATOM 663 CB PHE A 41 11.927 -7.461 4.284 1.00 0.00 C ATOM 664 CG PHE A 41 11.882 -8.616 5.246 1.00 0.00 C ATOM 665 CD1 PHE A 41 12.901 -9.555 5.279 1.00 0.00 C ATOM 666 CD2 PHE A 41 10.807 -8.769 6.108 1.00 0.00 C ATOM 667 CE1 PHE A 41 12.848 -10.622 6.155 1.00 0.00 C ATOM 668 CE2 PHE A 41 10.752 -9.834 6.987 1.00 0.00 C ATOM 669 CZ PHE A 41 11.773 -10.761 7.009 1.00 0.00 C ATOM 0 H PHE A 41 13.295 -8.712 2.610 1.00 0.00 H new ATOM 0 HA PHE A 41 10.483 -8.379 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.952 -7.100 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.330 -6.640 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.745 -9.451 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.003 -8.048 6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.648 -11.347 6.171 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.911 -9.940 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.731 -11.595 7.694 1.00 0.00 H new ATOM 679 N ALA A 42 12.142 -6.057 1.413 1.00 0.00 N ATOM 680 CA ALA A 42 11.986 -4.874 0.579 1.00 0.00 C ATOM 681 C ALA A 42 10.996 -5.135 -0.551 1.00 0.00 C ATOM 682 O ALA A 42 10.098 -4.329 -0.798 1.00 0.00 O ATOM 683 CB ALA A 42 13.332 -4.444 0.023 1.00 0.00 C ATOM 0 H ALA A 42 13.089 -6.437 1.433 1.00 0.00 H new ATOM 0 HA ALA A 42 11.589 -4.067 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.203 -3.558 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.009 -4.214 0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.752 -5.251 -0.577 1.00 0.00 H new ATOM 689 N GLU A 43 11.131 -6.278 -1.210 1.00 0.00 N ATOM 690 CA GLU A 43 10.192 -6.649 -2.257 1.00 0.00 C ATOM 691 C GLU A 43 8.818 -6.927 -1.656 1.00 0.00 C ATOM 692 O GLU A 43 7.795 -6.639 -2.268 1.00 0.00 O ATOM 693 CB GLU A 43 10.686 -7.848 -3.067 1.00 0.00 C ATOM 694 CG GLU A 43 10.736 -9.150 -2.292 1.00 0.00 C ATOM 695 CD GLU A 43 10.065 -10.279 -3.034 1.00 0.00 C ATOM 696 OE1 GLU A 43 10.735 -10.947 -3.842 1.00 0.00 O ATOM 697 OE2 GLU A 43 8.851 -10.494 -2.828 1.00 0.00 O ATOM 0 H GLU A 43 11.873 -6.957 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 43 10.112 -5.809 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.036 -7.979 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.683 -7.628 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.775 -9.414 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.252 -9.014 -1.325 1.00 0.00 H new ATOM 704 N LYS A 44 8.800 -7.507 -0.458 1.00 0.00 N ATOM 705 CA LYS A 44 7.549 -7.777 0.238 1.00 0.00 C ATOM 706 C LYS A 44 6.810 -6.477 0.529 1.00 0.00 C ATOM 707 O LYS A 44 5.596 -6.397 0.371 1.00 0.00 O ATOM 708 CB LYS A 44 7.808 -8.534 1.540 1.00 0.00 C ATOM 709 CG LYS A 44 6.885 -9.724 1.732 1.00 0.00 C ATOM 710 CD LYS A 44 7.080 -10.745 0.622 1.00 0.00 C ATOM 711 CE LYS A 44 8.506 -11.267 0.604 1.00 0.00 C ATOM 712 NZ LYS A 44 8.782 -12.099 -0.591 1.00 0.00 N ATOM 0 H LYS A 44 9.637 -7.798 0.048 1.00 0.00 H new ATOM 0 HA LYS A 44 6.928 -8.398 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.842 -8.878 1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.689 -7.850 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.081 -10.189 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.848 -9.387 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.387 -11.575 0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.844 -10.291 -0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.199 -10.426 0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.687 -11.855 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.809 -12.152 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.405 -13.057 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.326 -11.673 -1.423 1.00 0.00 H new ATOM 726 N LYS A 45 7.556 -5.453 0.931 1.00 0.00 N ATOM 727 CA LYS A 45 6.986 -4.139 1.183 1.00 0.00 C ATOM 728 C LYS A 45 6.426 -3.567 -0.111 1.00 0.00 C ATOM 729 O LYS A 45 5.415 -2.857 -0.112 1.00 0.00 O ATOM 730 CB LYS A 45 8.029 -3.191 1.780 1.00 0.00 C ATOM 731 CG LYS A 45 8.443 -3.552 3.202 1.00 0.00 C ATOM 732 CD LYS A 45 7.232 -3.688 4.103 1.00 0.00 C ATOM 733 CE LYS A 45 7.613 -3.772 5.567 1.00 0.00 C ATOM 734 NZ LYS A 45 6.419 -3.905 6.448 1.00 0.00 N ATOM 0 H LYS A 45 8.562 -5.511 1.089 1.00 0.00 H new ATOM 0 HA LYS A 45 6.179 -4.244 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.913 -3.190 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.631 -2.176 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.002 -4.488 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.110 -2.785 3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.570 -2.835 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.672 -4.580 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.274 -4.625 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.173 -2.880 5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.690 -4.385 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.044 -2.961 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.689 -4.463 5.961 1.00 0.00 H new ATOM 748 N PHE A 46 7.100 -3.880 -1.212 1.00 0.00 N ATOM 749 CA PHE A 46 6.632 -3.499 -2.538 1.00 0.00 C ATOM 750 C PHE A 46 5.340 -4.245 -2.872 1.00 0.00 C ATOM 751 O PHE A 46 4.400 -3.664 -3.411 1.00 0.00 O ATOM 752 CB PHE A 46 7.710 -3.790 -3.590 1.00 0.00 C ATOM 753 CG PHE A 46 7.313 -3.408 -4.989 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.422 -2.097 -5.422 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.829 -4.363 -5.871 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.054 -1.743 -6.707 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.459 -4.015 -7.155 1.00 0.00 C ATOM 758 CZ PHE A 46 6.573 -2.704 -7.575 1.00 0.00 C ATOM 0 H PHE A 46 7.978 -4.400 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 46 6.428 -2.428 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.620 -3.254 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.948 -4.853 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.799 -1.342 -4.748 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.741 -5.390 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.142 -0.717 -7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.081 -4.768 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.287 -2.431 -8.580 1.00 0.00 H new ATOM 768 N LYS A 47 5.296 -5.529 -2.530 1.00 0.00 N ATOM 769 CA LYS A 47 4.094 -6.335 -2.723 1.00 0.00 C ATOM 770 C LYS A 47 2.910 -5.720 -1.986 1.00 0.00 C ATOM 771 O LYS A 47 1.818 -5.593 -2.549 1.00 0.00 O ATOM 772 CB LYS A 47 4.307 -7.772 -2.231 1.00 0.00 C ATOM 773 CG LYS A 47 4.604 -8.786 -3.330 1.00 0.00 C ATOM 774 CD LYS A 47 6.012 -8.653 -3.877 1.00 0.00 C ATOM 775 CE LYS A 47 6.319 -9.759 -4.875 1.00 0.00 C ATOM 776 NZ LYS A 47 7.744 -9.756 -5.290 1.00 0.00 N ATOM 0 H LYS A 47 6.080 -6.035 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 47 3.882 -6.356 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.131 -7.779 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.416 -8.092 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.463 -9.793 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.888 -8.657 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.128 -7.682 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.729 -8.690 -3.057 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.073 -10.724 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.686 -9.640 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.817 -10.054 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.134 -8.797 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.282 -10.414 -4.691 1.00 0.00 H new ATOM 790 N GLU A 48 3.140 -5.305 -0.741 1.00 0.00 N ATOM 791 CA GLU A 48 2.072 -4.744 0.083 1.00 0.00 C ATOM 792 C GLU A 48 1.542 -3.469 -0.541 1.00 0.00 C ATOM 793 O GLU A 48 0.338 -3.270 -0.646 1.00 0.00 O ATOM 794 CB GLU A 48 2.577 -4.363 1.469 1.00 0.00 C ATOM 795 CG GLU A 48 3.365 -5.424 2.203 1.00 0.00 C ATOM 796 CD GLU A 48 4.050 -4.837 3.415 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.341 -3.615 3.396 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.297 -5.573 4.386 1.00 0.00 O ATOM 0 H GLU A 48 4.051 -5.346 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 48 1.300 -5.510 0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.202 -3.475 1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.720 -4.086 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.700 -6.231 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.108 -5.860 1.535 1.00 0.00 H new ATOM 805 N VAL A 49 2.452 -2.612 -0.971 1.00 0.00 N ATOM 806 CA VAL A 49 2.063 -1.299 -1.436 1.00 0.00 C ATOM 807 C VAL A 49 1.334 -1.383 -2.771 1.00 0.00 C ATOM 808 O VAL A 49 0.377 -0.655 -2.998 1.00 0.00 O ATOM 809 CB VAL A 49 3.259 -0.322 -1.517 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.247 -0.711 -2.605 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.762 1.092 -1.723 1.00 0.00 C ATOM 0 H VAL A 49 3.454 -2.802 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 49 1.374 -0.894 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 49 3.795 -0.378 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.069 0.005 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.638 -1.708 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.743 -0.709 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.612 1.772 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.193 1.146 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.123 1.378 -0.888 1.00 0.00 H new ATOM 821 N ALA A 50 1.764 -2.290 -3.640 1.00 0.00 N ATOM 822 CA ALA A 50 1.121 -2.446 -4.933 1.00 0.00 C ATOM 823 C ALA A 50 -0.323 -2.907 -4.774 1.00 0.00 C ATOM 824 O ALA A 50 -1.233 -2.348 -5.389 1.00 0.00 O ATOM 825 CB ALA A 50 1.896 -3.432 -5.790 1.00 0.00 C ATOM 0 H ALA A 50 2.547 -2.921 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 50 1.115 -1.475 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.403 -3.540 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.911 -3.065 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.930 -4.400 -5.290 1.00 0.00 H new ATOM 831 N GLU A 51 -0.540 -3.898 -3.913 1.00 0.00 N ATOM 832 CA GLU A 51 -1.880 -4.430 -3.697 1.00 0.00 C ATOM 833 C GLU A 51 -2.733 -3.442 -2.905 1.00 0.00 C ATOM 834 O GLU A 51 -3.904 -3.217 -3.220 1.00 0.00 O ATOM 835 CB GLU A 51 -1.830 -5.788 -2.979 1.00 0.00 C ATOM 836 CG GLU A 51 -1.277 -5.723 -1.567 1.00 0.00 C ATOM 837 CD GLU A 51 -1.365 -7.050 -0.843 1.00 0.00 C ATOM 838 OE1 GLU A 51 -2.419 -7.333 -0.241 1.00 0.00 O ATOM 839 OE2 GLU A 51 -0.382 -7.819 -0.875 1.00 0.00 O ATOM 0 H GLU A 51 0.190 -4.345 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.339 -4.580 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.836 -6.206 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.219 -6.475 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.236 -5.402 -1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.824 -4.968 -1.002 1.00 0.00 H new ATOM 846 N ALA A 52 -2.128 -2.837 -1.891 1.00 0.00 N ATOM 847 CA ALA A 52 -2.843 -1.966 -0.977 1.00 0.00 C ATOM 848 C ALA A 52 -3.196 -0.636 -1.618 1.00 0.00 C ATOM 849 O ALA A 52 -4.311 -0.151 -1.467 1.00 0.00 O ATOM 850 CB ALA A 52 -2.025 -1.756 0.283 1.00 0.00 C ATOM 0 H ALA A 52 -1.135 -2.937 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.783 -2.453 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.568 -1.101 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.849 -2.717 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.070 -1.299 0.025 1.00 0.00 H new ATOM 856 N TYR A 53 -2.254 -0.045 -2.343 1.00 0.00 N ATOM 857 CA TYR A 53 -2.519 1.218 -3.011 1.00 0.00 C ATOM 858 C TYR A 53 -3.550 1.002 -4.112 1.00 0.00 C ATOM 859 O TYR A 53 -4.404 1.854 -4.346 1.00 0.00 O ATOM 860 CB TYR A 53 -1.220 1.837 -3.562 1.00 0.00 C ATOM 861 CG TYR A 53 -1.116 1.885 -5.073 1.00 0.00 C ATOM 862 CD1 TYR A 53 -0.645 0.795 -5.797 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.484 3.025 -5.776 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.549 0.839 -7.174 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.390 3.076 -7.153 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.920 1.982 -7.847 1.00 0.00 C ATOM 867 OH TYR A 53 -0.824 2.030 -9.221 1.00 0.00 O ATOM 0 H TYR A 53 -1.314 -0.415 -2.481 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.925 1.927 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.128 2.852 -3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.374 1.270 -3.174 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.349 -0.102 -5.273 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.850 3.886 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.185 -0.019 -7.720 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.684 3.970 -7.684 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.126 2.906 -9.540 1.00 0.00 H new ATOM 877 N GLU A 54 -3.483 -0.159 -4.760 1.00 0.00 N ATOM 878 CA GLU A 54 -4.413 -0.492 -5.830 1.00 0.00 C ATOM 879 C GLU A 54 -5.849 -0.507 -5.309 1.00 0.00 C ATOM 880 O GLU A 54 -6.734 0.130 -5.881 1.00 0.00 O ATOM 881 CB GLU A 54 -4.055 -1.858 -6.418 1.00 0.00 C ATOM 882 CG GLU A 54 -4.734 -2.157 -7.741 1.00 0.00 C ATOM 883 CD GLU A 54 -4.341 -1.176 -8.827 1.00 0.00 C ATOM 884 OE1 GLU A 54 -3.150 -1.137 -9.198 1.00 0.00 O ATOM 885 OE2 GLU A 54 -5.224 -0.435 -9.309 1.00 0.00 O ATOM 0 H GLU A 54 -2.793 -0.883 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.337 0.267 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.975 -1.911 -6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.324 -2.633 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.477 -3.168 -8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.815 -2.131 -7.605 1.00 0.00 H new ATOM 892 N VAL A 55 -6.072 -1.226 -4.216 1.00 0.00 N ATOM 893 CA VAL A 55 -7.402 -1.324 -3.633 1.00 0.00 C ATOM 894 C VAL A 55 -7.826 -0.007 -2.970 1.00 0.00 C ATOM 895 O VAL A 55 -8.973 0.417 -3.097 1.00 0.00 O ATOM 896 CB VAL A 55 -7.497 -2.504 -2.625 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.529 -2.337 -1.466 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.919 -2.668 -2.115 1.00 0.00 C ATOM 0 H VAL A 55 -5.351 -1.748 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.095 -1.525 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.214 -3.410 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.627 -3.182 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.509 -2.295 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.755 -1.414 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.960 -3.500 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.233 -1.753 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.585 -2.869 -2.954 1.00 0.00 H new ATOM 908 N LEU A 56 -6.884 0.651 -2.296 1.00 0.00 N ATOM 909 CA LEU A 56 -7.184 1.842 -1.498 1.00 0.00 C ATOM 910 C LEU A 56 -7.478 3.063 -2.374 1.00 0.00 C ATOM 911 O LEU A 56 -8.256 3.935 -1.979 1.00 0.00 O ATOM 912 CB LEU A 56 -6.020 2.117 -0.521 1.00 0.00 C ATOM 913 CG LEU A 56 -6.219 3.248 0.502 1.00 0.00 C ATOM 914 CD1 LEU A 56 -5.312 3.031 1.699 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.921 4.609 -0.110 1.00 0.00 C ATOM 0 H LEU A 56 -5.901 0.379 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.091 1.650 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.813 1.198 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.131 2.345 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.262 3.230 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.460 3.837 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.551 2.077 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.272 3.023 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.071 5.386 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.888 4.634 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.590 4.783 -0.953 1.00 0.00 H new ATOM 927 N SER A 57 -6.896 3.117 -3.565 1.00 0.00 N ATOM 928 CA SER A 57 -7.041 4.297 -4.417 1.00 0.00 C ATOM 929 C SER A 57 -8.397 4.317 -5.114 1.00 0.00 C ATOM 930 O SER A 57 -8.817 5.349 -5.638 1.00 0.00 O ATOM 931 CB SER A 57 -5.926 4.350 -5.462 1.00 0.00 C ATOM 932 OG SER A 57 -4.654 4.414 -4.845 1.00 0.00 O ATOM 0 H SER A 57 -6.326 2.370 -3.962 1.00 0.00 H new ATOM 0 HA SER A 57 -6.971 5.173 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.980 3.469 -6.101 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.066 5.219 -6.105 1.00 0.00 H new ATOM 0 HG SER A 57 -4.500 3.597 -4.327 1.00 0.00 H new ATOM 938 N ASP A 58 -9.083 3.183 -5.118 1.00 0.00 N ATOM 939 CA ASP A 58 -10.405 3.117 -5.711 1.00 0.00 C ATOM 940 C ASP A 58 -11.440 2.894 -4.628 1.00 0.00 C ATOM 941 O ASP A 58 -11.396 1.901 -3.904 1.00 0.00 O ATOM 942 CB ASP A 58 -10.496 2.012 -6.761 1.00 0.00 C ATOM 943 CG ASP A 58 -11.898 1.891 -7.322 1.00 0.00 C ATOM 944 OD1 ASP A 58 -12.362 2.835 -7.997 1.00 0.00 O ATOM 945 OD2 ASP A 58 -12.556 0.872 -7.070 1.00 0.00 O ATOM 0 H ASP A 58 -8.748 2.305 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.599 4.065 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.796 2.220 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.198 1.062 -6.317 1.00 0.00 H new ATOM 950 N LYS A 59 -12.382 3.823 -4.540 1.00 0.00 N ATOM 951 CA LYS A 59 -13.392 3.810 -3.491 1.00 0.00 C ATOM 952 C LYS A 59 -14.241 2.549 -3.582 1.00 0.00 C ATOM 953 O LYS A 59 -14.667 2.004 -2.569 1.00 0.00 O ATOM 954 CB LYS A 59 -14.303 5.040 -3.588 1.00 0.00 C ATOM 955 CG LYS A 59 -13.606 6.320 -4.031 1.00 0.00 C ATOM 956 CD LYS A 59 -13.760 6.540 -5.531 1.00 0.00 C ATOM 957 CE LYS A 59 -13.017 7.776 -6.004 1.00 0.00 C ATOM 958 NZ LYS A 59 -13.003 7.865 -7.488 1.00 0.00 N ATOM 0 H LYS A 59 -12.468 4.604 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.872 3.829 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.110 4.822 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.762 5.212 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.023 7.170 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.548 6.268 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.387 5.666 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.818 6.637 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.488 8.667 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.994 7.753 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.488 8.720 -7.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.532 7.026 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.980 7.911 -7.842 1.00 0.00 H new ATOM 972 N HIS A 60 -14.469 2.091 -4.808 1.00 0.00 N ATOM 973 CA HIS A 60 -15.306 0.921 -5.052 1.00 0.00 C ATOM 974 C HIS A 60 -14.619 -0.345 -4.564 1.00 0.00 C ATOM 975 O HIS A 60 -15.228 -1.187 -3.913 1.00 0.00 O ATOM 976 CB HIS A 60 -15.592 0.769 -6.548 1.00 0.00 C ATOM 977 CG HIS A 60 -16.025 2.031 -7.221 1.00 0.00 C ATOM 978 ND1 HIS A 60 -15.148 2.881 -7.868 1.00 0.00 N ATOM 979 CD2 HIS A 60 -17.248 2.586 -7.350 1.00 0.00 C ATOM 980 CE1 HIS A 60 -15.819 3.903 -8.362 1.00 0.00 C ATOM 981 NE2 HIS A 60 -17.094 3.748 -8.060 1.00 0.00 N ATOM 0 H HIS A 60 -14.084 2.514 -5.652 1.00 0.00 H new ATOM 0 HA HIS A 60 -16.239 1.066 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -14.694 0.397 -7.042 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -16.367 0.014 -6.683 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -14.141 2.740 -7.950 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -18.176 2.189 -6.965 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -15.397 4.727 -8.919 1.00 0.00 H new ATOM 990 N LYS A 61 -13.339 -0.460 -4.874 1.00 0.00 N ATOM 991 CA LYS A 61 -12.585 -1.663 -4.580 1.00 0.00 C ATOM 992 C LYS A 61 -12.345 -1.801 -3.087 1.00 0.00 C ATOM 993 O LYS A 61 -12.499 -2.885 -2.526 1.00 0.00 O ATOM 994 CB LYS A 61 -11.257 -1.639 -5.335 1.00 0.00 C ATOM 995 CG LYS A 61 -10.533 -2.975 -5.362 1.00 0.00 C ATOM 996 CD LYS A 61 -9.251 -2.896 -6.180 1.00 0.00 C ATOM 997 CE LYS A 61 -9.522 -2.482 -7.618 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.401 -3.450 -8.324 1.00 0.00 N ATOM 0 H LYS A 61 -12.798 0.273 -5.333 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.165 -2.526 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.440 -1.317 -6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.605 -0.894 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.298 -3.284 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.189 -3.737 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.569 -2.182 -5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.753 -3.865 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.987 -1.496 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.577 -2.394 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.449 -3.203 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.014 -4.410 -8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.356 -3.416 -7.913 1.00 0.00 H new ATOM 1012 N ARG A 62 -11.984 -0.700 -2.442 1.00 0.00 N ATOM 1013 CA ARG A 62 -11.680 -0.735 -1.021 1.00 0.00 C ATOM 1014 C ARG A 62 -12.926 -1.029 -0.189 1.00 0.00 C ATOM 1015 O ARG A 62 -12.851 -1.771 0.789 1.00 0.00 O ATOM 1016 CB ARG A 62 -10.988 0.557 -0.563 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.748 1.833 -0.876 1.00 0.00 C ATOM 1018 CD ARG A 62 -10.964 3.058 -0.437 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.784 4.271 -0.427 1.00 0.00 N ATOM 1020 CZ ARG A 62 -11.290 5.513 -0.442 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -9.985 5.720 -0.589 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -12.110 6.553 -0.343 1.00 0.00 N ATOM 0 H ARG A 62 -11.896 0.219 -2.876 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.980 -1.555 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -10.825 0.503 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.006 0.612 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.946 1.889 -1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.715 1.817 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.559 2.888 0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.115 3.202 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.798 4.161 -0.407 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.351 4.927 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.618 6.671 -0.599 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.115 6.403 -0.256 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.735 7.501 -0.354 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.076 -0.476 -0.571 1.00 0.00 N ATOM 1037 CA GLU A 63 -15.305 -0.765 0.156 1.00 0.00 C ATOM 1038 C GLU A 63 -15.777 -2.187 -0.136 1.00 0.00 C ATOM 1039 O GLU A 63 -16.290 -2.868 0.750 1.00 0.00 O ATOM 1040 CB GLU A 63 -16.417 0.244 -0.151 1.00 0.00 C ATOM 1041 CG GLU A 63 -16.964 0.175 -1.565 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.233 0.979 -1.730 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -18.145 2.209 -1.922 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.329 0.385 -1.659 1.00 0.00 O ATOM 0 H GLU A 63 -14.180 0.160 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.077 -0.676 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.237 0.085 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -16.036 1.249 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.211 0.543 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.159 -0.865 -1.826 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.592 -2.644 -1.374 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.951 -4.008 -1.739 1.00 0.00 C ATOM 1053 C ILE A 64 -15.079 -5.003 -0.976 1.00 0.00 C ATOM 1054 O ILE A 64 -15.562 -6.024 -0.503 1.00 0.00 O ATOM 1055 CB ILE A 64 -15.860 -4.238 -3.275 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -17.246 -4.097 -3.920 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -15.256 -5.592 -3.611 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -17.894 -2.742 -3.728 1.00 0.00 C ATOM 0 H ILE A 64 -15.198 -2.091 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.991 -4.171 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.198 -3.474 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -17.157 -4.295 -4.988 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -17.904 -4.862 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -15.211 -5.712 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -14.250 -5.654 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.874 -6.382 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.869 -2.732 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.019 -2.546 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.261 -1.971 -4.167 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.807 -4.680 -0.824 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.908 -5.508 -0.032 1.00 0.00 C ATOM 1072 C TYR A 65 -13.342 -5.512 1.432 1.00 0.00 C ATOM 1073 O TYR A 65 -13.231 -6.525 2.124 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.469 -5.000 -0.170 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.476 -5.702 0.727 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -10.009 -6.978 0.427 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.006 -5.087 1.879 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.100 -7.617 1.252 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.100 -5.717 2.706 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.650 -6.981 2.391 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.744 -7.612 3.216 1.00 0.00 O ATOM 0 H TYR A 65 -13.372 -3.854 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.951 -6.532 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.152 -5.117 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.450 -3.933 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.361 -7.477 -0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.356 -4.097 2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.745 -8.607 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.744 -5.222 3.597 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.529 -7.028 3.973 1.00 0.00 H new ATOM 1091 N ASP A 66 -13.849 -4.376 1.886 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.247 -4.210 3.278 1.00 0.00 C ATOM 1093 C ASP A 66 -15.533 -4.975 3.599 1.00 0.00 C ATOM 1094 O ASP A 66 -15.594 -5.716 4.579 1.00 0.00 O ATOM 1095 CB ASP A 66 -14.451 -2.720 3.558 1.00 0.00 C ATOM 1096 CG ASP A 66 -14.888 -2.425 4.976 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -14.013 -2.226 5.847 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -16.112 -2.348 5.220 1.00 0.00 O ATOM 0 H ASP A 66 -13.996 -3.549 1.307 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.458 -4.616 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.520 -2.190 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.198 -2.328 2.867 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.554 -4.812 2.768 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.843 -5.454 3.018 1.00 0.00 C ATOM 1105 C ARG A 67 -17.951 -6.843 2.378 1.00 0.00 C ATOM 1106 O ARG A 67 -18.448 -7.785 2.999 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.977 -4.547 2.534 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.979 -4.299 1.034 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.561 -2.940 0.694 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.943 -2.788 1.156 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.938 -2.352 0.382 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.702 -2.023 -0.881 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -23.167 -2.233 0.872 1.00 0.00 N ATOM 0 H ARG A 67 -16.518 -4.246 1.920 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.927 -5.604 4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.930 -4.992 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.906 -3.589 3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.960 -4.365 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.557 -5.078 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.944 -2.162 1.143 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.524 -2.793 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.156 -3.029 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.759 -2.103 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.464 -1.690 -1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.354 -2.476 1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.924 -1.899 0.275 1.00 0.00 H new ATOM 1127 N TYR A 68 -17.471 -6.977 1.148 1.00 0.00 N ATOM 1128 CA TYR A 68 -17.700 -8.184 0.362 1.00 0.00 C ATOM 1129 C TYR A 68 -16.524 -9.144 0.509 1.00 0.00 C ATOM 1130 O TYR A 68 -16.603 -10.304 0.110 1.00 0.00 O ATOM 1131 CB TYR A 68 -17.912 -7.795 -1.109 1.00 0.00 C ATOM 1132 CG TYR A 68 -18.380 -8.919 -2.011 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -19.723 -9.269 -2.069 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -17.485 -9.617 -2.813 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -20.160 -10.285 -2.899 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -17.915 -10.632 -3.648 1.00 0.00 C ATOM 1137 CZ TYR A 68 -19.252 -10.963 -3.685 1.00 0.00 C ATOM 1138 OH TYR A 68 -19.689 -11.968 -4.520 1.00 0.00 O ATOM 0 H TYR A 68 -16.919 -6.263 0.672 1.00 0.00 H new ATOM 0 HA TYR A 68 -18.592 -8.694 0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -18.642 -6.987 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.975 -7.400 -1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -20.437 -8.739 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.436 -9.362 -2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -21.207 -10.546 -2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.207 -11.162 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 68 -18.926 -12.344 -5.006 1.00 0.00 H new ATOM 1148 N GLY A 69 -15.443 -8.655 1.108 1.00 0.00 N ATOM 1149 CA GLY A 69 -14.284 -9.494 1.356 1.00 0.00 C ATOM 1150 C GLY A 69 -14.613 -10.640 2.275 1.00 0.00 C ATOM 1151 O GLY A 69 -14.250 -11.787 2.027 1.00 0.00 O ATOM 0 H GLY A 69 -15.349 -7.691 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.907 -9.883 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.487 -8.893 1.794 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.304 -10.300 3.346 1.00 0.00 N ATOM 1156 CA ARG A 70 -15.766 -11.272 4.330 1.00 0.00 C ATOM 1157 C ARG A 70 -16.731 -12.287 3.719 1.00 0.00 C ATOM 1158 O ARG A 70 -16.853 -13.407 4.209 1.00 0.00 O ATOM 1159 CB ARG A 70 -16.450 -10.547 5.489 1.00 0.00 C ATOM 1160 CG ARG A 70 -15.509 -9.685 6.312 1.00 0.00 C ATOM 1161 CD ARG A 70 -14.541 -10.539 7.116 1.00 0.00 C ATOM 1162 NE ARG A 70 -15.236 -11.349 8.121 1.00 0.00 N ATOM 1163 CZ ARG A 70 -14.707 -12.419 8.717 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -13.518 -12.866 8.339 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -15.378 -13.048 9.677 1.00 0.00 N ATOM 0 H ARG A 70 -15.564 -9.338 3.563 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.894 -11.817 4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.249 -9.920 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.917 -11.284 6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.950 -9.020 5.653 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.087 -9.053 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.987 -11.192 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.811 -9.896 7.608 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.184 -11.077 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.008 -12.392 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.112 -13.684 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.299 -12.713 9.959 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.972 -13.866 10.131 1.00 0.00 H new ATOM 1179 N GLU A 71 -17.423 -11.883 2.660 1.00 0.00 N ATOM 1180 CA GLU A 71 -18.407 -12.729 2.020 1.00 0.00 C ATOM 1181 C GLU A 71 -17.722 -13.874 1.275 1.00 0.00 C ATOM 1182 O GLU A 71 -17.709 -15.003 1.810 1.00 0.00 O ATOM 1183 CB GLU A 71 -19.268 -11.884 1.077 1.00 0.00 C ATOM 1184 CG GLU A 71 -20.230 -12.691 0.229 1.00 0.00 C ATOM 1185 CD GLU A 71 -21.209 -13.502 1.052 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -22.122 -12.906 1.662 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -21.077 -14.744 1.087 1.00 0.00 O ATOM 0 H GLU A 71 -17.315 -10.965 2.228 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.055 -13.172 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.836 -11.165 1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.614 -11.311 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -20.784 -12.016 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -19.662 -13.362 -0.415 1.00 0.00 H new TER 1194 GLU A 71