USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 5 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.655 F(o=-5.2!,f=-0.66) USER MOD Single : A 15 ASN : amide:sc= -1.83 K(o=-1.8,f=-6.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -26:sc= 0.871 USER MOD Single : A 31 THR OG1 : rot -95:sc= -0.183 USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= -0.164 (180deg=-1.12) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.825 USER MOD Single : A 39 SER OG : rot 79:sc= 0.425 USER MOD Single : A 42 MET CE :methyl -176:sc= 0 (180deg=-0.0315) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.0163 (180deg=-0.259) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.701 X(o=-0.7,f=-0.68) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.87! C(o=-3.4!,f=-1.9!) USER MOD Single : A 69 THR OG1 : rot 35:sc= 0.177 USER MOD Single : A 73 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.12) USER MOD Single : A 75 HIS : no HD1:sc= -1.35 K(o=-1.4,f=-2.8!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.18 F(o=-2.7!,f=-0.18) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= -0.0427 (180deg=-0.421) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.0176 F(o=-2.2,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -20.104 -2.572 -2.906 1.00 0.00 N ATOM 42 CA ASP A 4 -19.123 -3.626 -2.518 1.00 0.00 C ATOM 43 C ASP A 4 -17.893 -3.530 -3.421 1.00 0.00 C ATOM 44 O ASP A 4 -17.986 -3.162 -4.576 1.00 0.00 O ATOM 45 CB ASP A 4 -19.767 -5.005 -2.678 1.00 0.00 C ATOM 46 CG ASP A 4 -20.363 -5.132 -4.080 1.00 0.00 C ATOM 47 OD1 ASP A 4 -21.120 -4.255 -4.464 1.00 0.00 O ATOM 48 OD2 ASP A 4 -20.051 -6.104 -4.749 1.00 0.00 O ATOM 0 HA ASP A 4 -18.825 -3.483 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.024 -5.786 -2.515 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.545 -5.144 -1.927 1.00 0.00 H new ATOM 53 N ASN A 5 -16.738 -3.855 -2.907 1.00 0.00 N ATOM 54 CA ASN A 5 -15.504 -3.778 -3.739 1.00 0.00 C ATOM 55 C ASN A 5 -14.377 -4.547 -3.050 1.00 0.00 C ATOM 56 O ASN A 5 -14.045 -4.294 -1.906 1.00 0.00 O ATOM 57 CB ASN A 5 -15.095 -2.313 -3.907 1.00 0.00 C ATOM 58 CG ASN A 5 -13.924 -2.218 -4.886 1.00 0.00 C ATOM 59 OD1 ASN A 5 -13.876 -2.934 -5.867 1.00 0.00 O ATOM 60 ND2 ASN A 5 -12.967 -1.360 -4.659 1.00 0.00 N ATOM 0 H ASN A 5 -16.596 -4.170 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.696 -4.216 -4.718 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.939 -1.729 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -14.812 -1.891 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.180 -1.291 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.006 -0.758 -3.836 1.00 0.00 H new ATOM 67 N GLU A 6 -13.787 -5.486 -3.739 1.00 0.00 N ATOM 68 CA GLU A 6 -12.679 -6.279 -3.133 1.00 0.00 C ATOM 69 C GLU A 6 -11.903 -7.000 -4.239 1.00 0.00 C ATOM 70 O GLU A 6 -12.417 -7.249 -5.311 1.00 0.00 O ATOM 71 CB GLU A 6 -13.259 -7.309 -2.162 1.00 0.00 C ATOM 72 CG GLU A 6 -14.214 -8.241 -2.912 1.00 0.00 C ATOM 73 CD GLU A 6 -14.972 -9.111 -1.908 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.323 -9.834 -1.170 1.00 0.00 O ATOM 75 OE2 GLU A 6 -16.190 -9.040 -1.893 1.00 0.00 O ATOM 0 H GLU A 6 -14.025 -5.739 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.007 -5.611 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.455 -7.886 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.788 -6.804 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.917 -7.657 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.656 -8.870 -3.605 1.00 0.00 H new ATOM 82 N ILE A 7 -10.663 -7.334 -3.984 1.00 0.00 N ATOM 83 CA ILE A 7 -9.835 -8.037 -5.013 1.00 0.00 C ATOM 84 C ILE A 7 -8.849 -8.975 -4.310 1.00 0.00 C ATOM 85 O ILE A 7 -8.619 -8.866 -3.122 1.00 0.00 O ATOM 86 CB ILE A 7 -9.071 -7.008 -5.853 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.191 -6.150 -4.936 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.072 -6.113 -6.595 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.514 -5.043 -5.745 1.00 0.00 C ATOM 0 H ILE A 7 -10.185 -7.149 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.482 -8.618 -5.670 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.440 -7.523 -6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.797 -5.713 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.437 -6.773 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.531 -5.380 -7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.694 -6.726 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.703 -5.596 -5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.891 -4.439 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.893 -5.488 -6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.274 -4.412 -6.205 1.00 0.00 H new ATOM 101 N SER A 8 -8.272 -9.900 -5.038 1.00 0.00 N ATOM 102 CA SER A 8 -7.297 -10.866 -4.431 1.00 0.00 C ATOM 103 C SER A 8 -6.065 -10.980 -5.327 1.00 0.00 C ATOM 104 O SER A 8 -6.153 -10.912 -6.537 1.00 0.00 O ATOM 105 CB SER A 8 -7.958 -12.239 -4.304 1.00 0.00 C ATOM 106 OG SER A 8 -9.062 -12.147 -3.412 1.00 0.00 O ATOM 0 H SER A 8 -8.435 -10.030 -6.036 1.00 0.00 H new ATOM 0 HA SER A 8 -6.998 -10.509 -3.445 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.293 -12.586 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.238 -12.970 -3.936 1.00 0.00 H new ATOM 0 HG SER A 8 -9.490 -13.025 -3.329 1.00 0.00 H new ATOM 112 N VAL A 9 -4.915 -11.158 -4.731 1.00 0.00 N ATOM 113 CA VAL A 9 -3.651 -11.287 -5.522 1.00 0.00 C ATOM 114 C VAL A 9 -2.771 -12.344 -4.859 1.00 0.00 C ATOM 115 O VAL A 9 -2.017 -12.060 -3.950 1.00 0.00 O ATOM 116 CB VAL A 9 -2.915 -9.946 -5.532 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.667 -10.055 -6.410 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.838 -8.862 -6.095 1.00 0.00 C ATOM 0 H VAL A 9 -4.795 -11.220 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.879 -11.577 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.623 -9.685 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.143 -9.099 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.009 -10.827 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.959 -10.316 -7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.314 -7.906 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.129 -9.124 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.729 -8.783 -5.472 1.00 0.00 H new ATOM 128 N GLY A 10 -2.869 -13.568 -5.299 1.00 0.00 N ATOM 129 CA GLY A 10 -2.047 -14.646 -4.683 1.00 0.00 C ATOM 130 C GLY A 10 -2.609 -14.969 -3.298 1.00 0.00 C ATOM 131 O GLY A 10 -3.675 -15.539 -3.172 1.00 0.00 O ATOM 0 H GLY A 10 -3.482 -13.868 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.061 -15.536 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.007 -14.328 -4.603 1.00 0.00 H new ATOM 135 N ASN A 11 -1.895 -14.609 -2.258 1.00 0.00 N ATOM 136 CA ASN A 11 -2.368 -14.888 -0.863 1.00 0.00 C ATOM 137 C ASN A 11 -2.860 -13.590 -0.210 1.00 0.00 C ATOM 138 O ASN A 11 -3.200 -13.568 0.959 1.00 0.00 O ATOM 139 CB ASN A 11 -1.205 -15.462 -0.046 1.00 0.00 C ATOM 140 CG ASN A 11 0.045 -14.605 -0.255 1.00 0.00 C ATOM 141 OD1 ASN A 11 0.561 -14.505 -1.449 1.00 0.00 O flip ATOM 142 ND2 ASN A 11 0.559 -14.023 0.679 1.00 0.00 N flip ATOM 0 H ASN A 11 -0.997 -14.129 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.189 -15.605 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.468 -15.486 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.008 -16.490 -0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.156 -14.101 1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.394 -13.456 0.530 1.00 0.00 H new ATOM 149 N LEU A 12 -2.879 -12.501 -0.946 1.00 0.00 N ATOM 150 CA LEU A 12 -3.331 -11.193 -0.370 1.00 0.00 C ATOM 151 C LEU A 12 -4.793 -10.937 -0.759 1.00 0.00 C ATOM 152 O LEU A 12 -5.118 -10.794 -1.921 1.00 0.00 O ATOM 153 CB LEU A 12 -2.452 -10.059 -0.936 1.00 0.00 C ATOM 154 CG LEU A 12 -1.107 -10.001 -0.198 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.301 -11.279 -0.468 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.318 -8.784 -0.692 1.00 0.00 C ATOM 0 H LEU A 12 -2.599 -12.463 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.243 -11.225 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.283 -10.219 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.970 -9.105 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.287 -9.918 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.651 -11.227 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.863 -12.145 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.117 -11.374 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.639 -8.736 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.145 -8.874 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.886 -7.876 -0.491 1.00 0.00 H new ATOM 168 N ARG A 13 -5.670 -10.853 0.215 1.00 0.00 N ATOM 169 CA ARG A 13 -7.117 -10.576 -0.065 1.00 0.00 C ATOM 170 C ARG A 13 -7.428 -9.151 0.396 1.00 0.00 C ATOM 171 O ARG A 13 -7.338 -8.839 1.563 1.00 0.00 O ATOM 172 CB ARG A 13 -7.988 -11.570 0.707 1.00 0.00 C ATOM 173 CG ARG A 13 -7.884 -12.953 0.060 1.00 0.00 C ATOM 174 CD ARG A 13 -8.653 -13.971 0.903 1.00 0.00 C ATOM 175 NE ARG A 13 -10.031 -13.463 1.160 1.00 0.00 N ATOM 176 CZ ARG A 13 -10.907 -13.431 0.193 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.577 -13.844 -1.001 1.00 0.00 N ATOM 178 NH2 ARG A 13 -12.113 -12.988 0.420 1.00 0.00 N ATOM 0 H ARG A 13 -5.442 -10.966 1.203 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.324 -10.681 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.667 -11.619 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.025 -11.235 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.288 -12.924 -0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.838 -13.250 -0.023 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.698 -14.929 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.135 -14.143 1.847 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.289 -13.140 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.635 -14.192 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.262 -13.819 -1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.371 -12.667 1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.798 -12.963 -0.336 1.00 0.00 H new ATOM 192 N LEU A 14 -7.784 -8.281 -0.521 1.00 0.00 N ATOM 193 CA LEU A 14 -8.093 -6.858 -0.153 1.00 0.00 C ATOM 194 C LEU A 14 -9.610 -6.652 -0.145 1.00 0.00 C ATOM 195 O LEU A 14 -10.310 -7.087 -1.038 1.00 0.00 O ATOM 196 CB LEU A 14 -7.464 -5.910 -1.192 1.00 0.00 C ATOM 197 CG LEU A 14 -5.951 -5.759 -0.948 1.00 0.00 C ATOM 198 CD1 LEU A 14 -5.218 -7.060 -1.306 1.00 0.00 C ATOM 199 CD2 LEU A 14 -5.414 -4.619 -1.821 1.00 0.00 C ATOM 0 H LEU A 14 -7.875 -8.496 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.686 -6.644 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.638 -6.296 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.945 -4.933 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.781 -5.538 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.150 -6.937 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.597 -7.873 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.386 -7.295 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.343 -4.506 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.595 -4.849 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.922 -3.691 -1.560 1.00 0.00 H new ATOM 211 N ASN A 15 -10.118 -5.973 0.857 1.00 0.00 N ATOM 212 CA ASN A 15 -11.594 -5.704 0.939 1.00 0.00 C ATOM 213 C ASN A 15 -11.814 -4.235 1.320 1.00 0.00 C ATOM 214 O ASN A 15 -11.740 -3.861 2.473 1.00 0.00 O ATOM 215 CB ASN A 15 -12.226 -6.620 2.002 1.00 0.00 C ATOM 216 CG ASN A 15 -12.426 -8.025 1.421 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.731 -8.421 0.507 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.354 -8.796 1.918 1.00 0.00 N ATOM 0 H ASN A 15 -9.571 -5.590 1.628 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.061 -5.904 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.585 -6.668 2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.183 -6.211 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.496 -9.732 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.937 -8.462 2.686 1.00 0.00 H new ATOM 225 N VAL A 16 -12.083 -3.404 0.349 1.00 0.00 N ATOM 226 CA VAL A 16 -12.310 -1.957 0.632 1.00 0.00 C ATOM 227 C VAL A 16 -13.655 -1.781 1.334 1.00 0.00 C ATOM 228 O VAL A 16 -13.848 -0.869 2.113 1.00 0.00 O ATOM 229 CB VAL A 16 -12.326 -1.182 -0.689 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.311 0.321 -0.402 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.096 -1.559 -1.517 1.00 0.00 C ATOM 0 H VAL A 16 -12.156 -3.667 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.512 -1.580 1.272 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.228 -1.434 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.322 0.871 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.190 0.588 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.410 0.576 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.107 -1.008 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.192 -1.309 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.111 -2.629 -1.724 1.00 0.00 H new ATOM 241 N THR A 17 -14.584 -2.650 1.064 1.00 0.00 N ATOM 242 CA THR A 17 -15.922 -2.544 1.710 1.00 0.00 C ATOM 243 C THR A 17 -15.750 -2.560 3.233 1.00 0.00 C ATOM 244 O THR A 17 -16.234 -1.689 3.929 1.00 0.00 O ATOM 245 CB THR A 17 -16.806 -3.730 1.269 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.694 -4.081 2.322 1.00 0.00 O ATOM 247 CG2 THR A 17 -15.930 -4.941 0.920 1.00 0.00 C ATOM 0 H THR A 17 -14.476 -3.434 0.421 1.00 0.00 H new ATOM 0 HA THR A 17 -16.402 -1.613 1.409 1.00 0.00 H new ATOM 0 HB THR A 17 -17.377 -3.435 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.255 -4.833 2.040 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.564 -5.772 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.253 -4.678 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.349 -5.234 1.795 1.00 0.00 H new ATOM 255 N ARG A 18 -15.059 -3.542 3.754 1.00 0.00 N ATOM 256 CA ARG A 18 -14.839 -3.623 5.231 1.00 0.00 C ATOM 257 C ARG A 18 -13.473 -3.025 5.555 1.00 0.00 C ATOM 258 O ARG A 18 -13.100 -2.879 6.702 1.00 0.00 O ATOM 259 CB ARG A 18 -14.869 -5.090 5.669 1.00 0.00 C ATOM 260 CG ARG A 18 -16.140 -5.755 5.139 1.00 0.00 C ATOM 261 CD ARG A 18 -16.295 -7.139 5.773 1.00 0.00 C ATOM 262 NE ARG A 18 -16.616 -6.990 7.220 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.729 -8.047 7.978 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.561 -9.237 7.468 1.00 0.00 N ATOM 265 NH2 ARG A 18 -17.008 -7.915 9.245 1.00 0.00 N ATOM 0 H ARG A 18 -14.634 -4.297 3.216 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.621 -3.074 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.989 -5.611 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.837 -5.157 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.009 -5.138 5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.091 -5.844 4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.086 -7.695 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.376 -7.712 5.651 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.748 -6.061 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.341 -9.341 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.649 -10.063 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.138 -6.986 9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.096 -8.741 9.837 1.00 0.00 H new ATOM 279 N ARG A 19 -12.722 -2.699 4.539 1.00 0.00 N ATOM 280 CA ARG A 19 -11.365 -2.123 4.751 1.00 0.00 C ATOM 281 C ARG A 19 -10.547 -3.070 5.631 1.00 0.00 C ATOM 282 O ARG A 19 -10.434 -2.895 6.824 1.00 0.00 O ATOM 283 CB ARG A 19 -11.474 -0.734 5.413 1.00 0.00 C ATOM 284 CG ARG A 19 -10.053 -0.132 5.685 1.00 0.00 C ATOM 285 CD ARG A 19 -9.815 0.080 7.192 1.00 0.00 C ATOM 286 NE ARG A 19 -8.354 0.248 7.445 1.00 0.00 N ATOM 287 CZ ARG A 19 -7.874 0.087 8.650 1.00 0.00 C ATOM 288 NH1 ARG A 19 -8.674 -0.215 9.636 1.00 0.00 N ATOM 289 NH2 ARG A 19 -6.596 0.227 8.869 1.00 0.00 N ATOM 0 H ARG A 19 -12.994 -2.808 3.562 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.866 -2.005 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.041 -0.063 4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.025 -0.815 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.290 -0.799 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.952 0.819 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.358 0.960 7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.197 -0.772 7.755 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.729 0.489 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.674 -0.325 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.300 -0.341 10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.969 0.462 8.099 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.223 0.101 9.810 1.00 0.00 H new ATOM 303 N LEU A 20 -9.984 -4.084 5.042 1.00 0.00 N ATOM 304 CA LEU A 20 -9.177 -5.056 5.818 1.00 0.00 C ATOM 305 C LEU A 20 -8.403 -5.941 4.831 1.00 0.00 C ATOM 306 O LEU A 20 -8.960 -6.441 3.873 1.00 0.00 O ATOM 307 CB LEU A 20 -10.125 -5.906 6.700 1.00 0.00 C ATOM 308 CG LEU A 20 -9.503 -6.153 8.078 1.00 0.00 C ATOM 309 CD1 LEU A 20 -10.503 -6.895 8.966 1.00 0.00 C ATOM 310 CD2 LEU A 20 -8.233 -6.995 7.923 1.00 0.00 C ATOM 0 H LEU A 20 -10.051 -4.282 4.044 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.467 -4.545 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.081 -5.395 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.329 -6.859 6.211 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.251 -5.197 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.059 -7.070 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.405 -6.294 9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.758 -7.850 8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.791 -7.170 8.904 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.484 -7.950 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.519 -6.464 7.293 1.00 0.00 H new ATOM 322 N VAL A 21 -7.122 -6.126 5.056 1.00 0.00 N ATOM 323 CA VAL A 21 -6.287 -6.967 4.134 1.00 0.00 C ATOM 324 C VAL A 21 -5.737 -8.179 4.892 1.00 0.00 C ATOM 325 O VAL A 21 -5.203 -8.049 5.976 1.00 0.00 O ATOM 326 CB VAL A 21 -5.111 -6.130 3.621 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.402 -6.876 2.488 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.630 -4.786 3.106 1.00 0.00 C ATOM 0 H VAL A 21 -6.614 -5.727 5.846 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.902 -7.306 3.300 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.405 -5.960 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.566 -6.278 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.031 -7.832 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.104 -7.051 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.794 -4.189 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.337 -4.956 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.129 -4.254 3.916 1.00 0.00 H new ATOM 338 N TRP A 22 -5.847 -9.357 4.319 1.00 0.00 N ATOM 339 CA TRP A 22 -5.314 -10.590 4.988 1.00 0.00 C ATOM 340 C TRP A 22 -4.009 -10.999 4.308 1.00 0.00 C ATOM 341 O TRP A 22 -3.957 -11.197 3.110 1.00 0.00 O ATOM 342 CB TRP A 22 -6.328 -11.729 4.857 1.00 0.00 C ATOM 343 CG TRP A 22 -7.532 -11.423 5.685 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.713 -11.812 6.968 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.722 -10.672 5.314 1.00 0.00 C ATOM 346 NE1 TRP A 22 -8.939 -11.347 7.408 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.598 -10.637 6.424 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.121 -10.022 4.133 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.828 -9.981 6.363 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.357 -9.362 4.069 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.209 -9.340 5.183 1.00 0.00 C ATOM 0 H TRP A 22 -6.285 -9.518 3.412 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.138 -10.384 6.044 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.615 -11.856 3.813 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.880 -12.668 5.181 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.014 -12.391 7.553 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.311 -11.509 8.344 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.472 -10.031 3.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.481 -9.969 7.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.655 -8.868 3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.158 -8.828 5.128 1.00 0.00 H new ATOM 362 N LEU A 23 -2.952 -11.128 5.069 1.00 0.00 N ATOM 363 CA LEU A 23 -1.627 -11.526 4.497 1.00 0.00 C ATOM 364 C LEU A 23 -1.371 -12.991 4.845 1.00 0.00 C ATOM 365 O LEU A 23 -1.194 -13.338 5.994 1.00 0.00 O ATOM 366 CB LEU A 23 -0.540 -10.648 5.128 1.00 0.00 C ATOM 367 CG LEU A 23 0.776 -10.793 4.351 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.655 -10.166 2.937 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.896 -10.100 5.142 1.00 0.00 C ATOM 0 H LEU A 23 -2.950 -10.972 6.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.618 -11.398 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.858 -9.606 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.390 -10.934 6.169 1.00 0.00 H new ATOM 0 HG LEU A 23 1.006 -11.851 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.600 -10.281 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.137 -10.669 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.417 -9.106 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.837 -10.196 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.654 -9.044 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.992 -10.567 6.122 1.00 0.00 H new ATOM 381 N GLY A 24 -1.374 -13.866 3.877 1.00 0.00 N ATOM 382 CA GLY A 24 -1.159 -15.301 4.207 1.00 0.00 C ATOM 383 C GLY A 24 -2.352 -15.759 5.038 1.00 0.00 C ATOM 384 O GLY A 24 -2.227 -16.528 5.968 1.00 0.00 O ATOM 0 H GLY A 24 -1.513 -13.654 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.073 -15.896 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.231 -15.433 4.763 1.00 0.00 H new ATOM 388 N GLU A 25 -3.508 -15.263 4.693 1.00 0.00 N ATOM 389 CA GLU A 25 -4.754 -15.618 5.427 1.00 0.00 C ATOM 390 C GLU A 25 -4.730 -14.990 6.828 1.00 0.00 C ATOM 391 O GLU A 25 -5.640 -15.184 7.610 1.00 0.00 O ATOM 392 CB GLU A 25 -4.882 -17.152 5.533 1.00 0.00 C ATOM 393 CG GLU A 25 -6.352 -17.545 5.728 1.00 0.00 C ATOM 394 CD GLU A 25 -6.456 -19.061 5.903 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.727 -19.768 5.228 1.00 0.00 O ATOM 396 OE2 GLU A 25 -7.263 -19.490 6.712 1.00 0.00 O ATOM 0 H GLU A 25 -3.643 -14.614 3.918 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.614 -15.230 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.488 -17.621 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.286 -17.518 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.762 -17.038 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.942 -17.226 4.869 1.00 0.00 H new ATOM 403 N THR A 26 -3.699 -14.234 7.155 1.00 0.00 N ATOM 404 CA THR A 26 -3.626 -13.590 8.514 1.00 0.00 C ATOM 405 C THR A 26 -3.968 -12.108 8.407 1.00 0.00 C ATOM 406 O THR A 26 -3.551 -11.427 7.496 1.00 0.00 O ATOM 407 CB THR A 26 -2.217 -13.730 9.089 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.316 -12.926 8.340 1.00 0.00 O ATOM 409 CG2 THR A 26 -1.774 -15.193 9.030 1.00 0.00 C ATOM 0 H THR A 26 -2.908 -14.036 6.541 1.00 0.00 H new ATOM 0 HA THR A 26 -4.340 -14.088 9.170 1.00 0.00 H new ATOM 0 HB THR A 26 -2.219 -13.400 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.664 -12.804 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.769 -15.286 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.462 -15.805 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.775 -15.532 7.994 1.00 0.00 H new ATOM 417 N ALA A 27 -4.734 -11.605 9.332 1.00 0.00 N ATOM 418 CA ALA A 27 -5.119 -10.166 9.288 1.00 0.00 C ATOM 419 C ALA A 27 -3.895 -9.283 9.540 1.00 0.00 C ATOM 420 O ALA A 27 -3.344 -9.263 10.622 1.00 0.00 O ATOM 421 CB ALA A 27 -6.171 -9.891 10.366 1.00 0.00 C ATOM 0 H ALA A 27 -5.112 -12.130 10.121 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.526 -9.937 8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.455 -8.839 10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.050 -10.510 10.183 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.758 -10.128 11.346 1.00 0.00 H new ATOM 427 N LEU A 28 -3.474 -8.542 8.548 1.00 0.00 N ATOM 428 CA LEU A 28 -2.297 -7.644 8.723 1.00 0.00 C ATOM 429 C LEU A 28 -2.778 -6.357 9.406 1.00 0.00 C ATOM 430 O LEU A 28 -3.812 -5.818 9.067 1.00 0.00 O ATOM 431 CB LEU A 28 -1.702 -7.341 7.331 1.00 0.00 C ATOM 432 CG LEU A 28 -0.198 -7.004 7.424 1.00 0.00 C ATOM 433 CD1 LEU A 28 0.626 -8.234 7.888 1.00 0.00 C ATOM 434 CD2 LEU A 28 0.292 -6.539 6.040 1.00 0.00 C ATOM 0 H LEU A 28 -3.898 -8.521 7.620 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.527 -8.108 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.844 -8.202 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.237 -6.506 6.879 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.059 -6.213 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.681 -7.965 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.280 -8.554 8.871 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.496 -9.049 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.354 -6.298 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.136 -7.335 5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.267 -5.654 5.735 1.00 0.00 H new ATOM 446 N ASP A 29 -2.050 -5.869 10.379 1.00 0.00 N ATOM 447 CA ASP A 29 -2.484 -4.628 11.097 1.00 0.00 C ATOM 448 C ASP A 29 -1.853 -3.391 10.456 1.00 0.00 C ATOM 449 O ASP A 29 -0.695 -3.092 10.673 1.00 0.00 O ATOM 450 CB ASP A 29 -2.047 -4.713 12.559 1.00 0.00 C ATOM 451 CG ASP A 29 -0.561 -5.069 12.629 1.00 0.00 C ATOM 452 OD1 ASP A 29 -0.226 -6.197 12.309 1.00 0.00 O ATOM 453 OD2 ASP A 29 0.217 -4.205 13.001 1.00 0.00 O ATOM 0 H ASP A 29 -1.174 -6.275 10.708 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.569 -4.545 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.228 -3.762 13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.637 -5.465 13.083 1.00 0.00 H new ATOM 458 N LEU A 30 -2.619 -2.664 9.677 1.00 0.00 N ATOM 459 CA LEU A 30 -2.101 -1.422 9.012 1.00 0.00 C ATOM 460 C LEU A 30 -3.061 -0.265 9.302 1.00 0.00 C ATOM 461 O LEU A 30 -4.264 -0.414 9.242 1.00 0.00 O ATOM 462 CB LEU A 30 -1.975 -1.652 7.492 1.00 0.00 C ATOM 463 CG LEU A 30 -3.352 -1.748 6.804 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.133 -2.016 5.311 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.191 -2.891 7.415 1.00 0.00 C ATOM 0 H LEU A 30 -3.594 -2.880 9.470 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.114 -1.177 9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.405 -0.836 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.414 -2.569 7.310 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.892 -0.812 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.098 -2.087 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.556 -1.200 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.589 -2.952 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.158 -2.940 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.666 -3.837 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.342 -2.703 8.478 1.00 0.00 H new ATOM 477 N THR A 31 -2.542 0.888 9.625 1.00 0.00 N ATOM 478 CA THR A 31 -3.433 2.046 9.925 1.00 0.00 C ATOM 479 C THR A 31 -4.379 2.268 8.732 1.00 0.00 C ATOM 480 O THR A 31 -4.047 1.933 7.613 1.00 0.00 O ATOM 481 CB THR A 31 -2.565 3.297 10.153 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.488 3.290 9.229 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.003 3.296 11.579 1.00 0.00 C ATOM 0 H THR A 31 -1.542 1.079 9.694 1.00 0.00 H new ATOM 0 HA THR A 31 -4.023 1.851 10.820 1.00 0.00 H new ATOM 0 HB THR A 31 -3.177 4.188 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.700 2.886 9.648 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.391 4.185 11.729 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.826 3.297 12.294 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.393 2.405 11.729 1.00 0.00 H new ATOM 491 N PRO A 32 -5.550 2.828 8.955 1.00 0.00 N ATOM 492 CA PRO A 32 -6.531 3.083 7.854 1.00 0.00 C ATOM 493 C PRO A 32 -5.950 4.033 6.801 1.00 0.00 C ATOM 494 O PRO A 32 -6.119 3.839 5.612 1.00 0.00 O ATOM 495 CB PRO A 32 -7.748 3.706 8.576 1.00 0.00 C ATOM 496 CG PRO A 32 -7.200 4.237 9.866 1.00 0.00 C ATOM 497 CD PRO A 32 -6.072 3.281 10.258 1.00 0.00 C ATOM 0 HA PRO A 32 -6.794 2.178 7.306 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.197 4.501 7.980 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.525 2.963 8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.827 5.254 9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.971 4.270 10.636 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.305 3.783 10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.440 2.448 10.857 1.00 0.00 H new ATOM 505 N LYS A 33 -5.254 5.050 7.227 1.00 0.00 N ATOM 506 CA LYS A 33 -4.652 5.998 6.250 1.00 0.00 C ATOM 507 C LYS A 33 -3.771 5.204 5.282 1.00 0.00 C ATOM 508 O LYS A 33 -3.780 5.431 4.088 1.00 0.00 O ATOM 509 CB LYS A 33 -3.803 7.032 7.002 1.00 0.00 C ATOM 510 CG LYS A 33 -4.684 7.797 8.009 1.00 0.00 C ATOM 511 CD LYS A 33 -3.814 8.512 9.057 1.00 0.00 C ATOM 512 CE LYS A 33 -3.100 9.711 8.426 1.00 0.00 C ATOM 513 NZ LYS A 33 -4.101 10.624 7.805 1.00 0.00 N ATOM 0 H LYS A 33 -5.076 5.265 8.208 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.433 6.518 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.986 6.535 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.352 7.729 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.300 8.526 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.364 7.104 8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.435 8.846 9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.080 7.817 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.528 10.245 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.390 9.368 7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.812 11.611 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.158 10.434 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.033 10.464 8.239 1.00 0.00 H new ATOM 527 N GLU A 34 -3.022 4.264 5.791 1.00 0.00 N ATOM 528 CA GLU A 34 -2.152 3.444 4.903 1.00 0.00 C ATOM 529 C GLU A 34 -3.030 2.653 3.934 1.00 0.00 C ATOM 530 O GLU A 34 -2.686 2.464 2.784 1.00 0.00 O ATOM 531 CB GLU A 34 -1.317 2.481 5.752 1.00 0.00 C ATOM 532 CG GLU A 34 -0.238 3.269 6.498 1.00 0.00 C ATOM 533 CD GLU A 34 0.574 2.318 7.379 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.888 1.234 6.915 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.868 2.690 8.503 1.00 0.00 O ATOM 0 H GLU A 34 -2.975 4.029 6.782 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.483 4.094 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.956 1.956 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.857 1.724 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.418 3.771 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.698 4.045 7.110 1.00 0.00 H new ATOM 542 N TYR A 35 -4.169 2.198 4.382 1.00 0.00 N ATOM 543 CA TYR A 35 -5.068 1.432 3.475 1.00 0.00 C ATOM 544 C TYR A 35 -5.372 2.293 2.246 1.00 0.00 C ATOM 545 O TYR A 35 -5.616 1.789 1.168 1.00 0.00 O ATOM 546 CB TYR A 35 -6.370 1.086 4.209 1.00 0.00 C ATOM 547 CG TYR A 35 -7.178 0.102 3.384 1.00 0.00 C ATOM 548 CD1 TYR A 35 -7.904 0.550 2.272 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.202 -1.258 3.731 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.650 -0.359 1.509 1.00 0.00 C ATOM 551 CE2 TYR A 35 -7.947 -2.164 2.965 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.670 -1.714 1.856 1.00 0.00 C ATOM 553 OH TYR A 35 -9.398 -2.610 1.101 1.00 0.00 O ATOM 0 H TYR A 35 -4.514 2.324 5.334 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.585 0.505 3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.145 0.657 5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.951 1.991 4.384 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.889 1.596 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.646 -1.606 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.210 -0.013 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.963 -3.211 3.231 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.121 -3.524 1.321 1.00 0.00 H new ATOM 563 N ALA A 36 -5.346 3.592 2.399 1.00 0.00 N ATOM 564 CA ALA A 36 -5.619 4.484 1.234 1.00 0.00 C ATOM 565 C ALA A 36 -4.445 4.397 0.258 1.00 0.00 C ATOM 566 O ALA A 36 -4.618 4.163 -0.925 1.00 0.00 O ATOM 567 CB ALA A 36 -5.773 5.931 1.709 1.00 0.00 C ATOM 0 H ALA A 36 -5.148 4.072 3.277 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.540 4.169 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.972 6.576 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.602 5.996 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.854 6.253 2.200 1.00 0.00 H new ATOM 573 N LEU A 37 -3.248 4.568 0.747 1.00 0.00 N ATOM 574 CA LEU A 37 -2.066 4.481 -0.155 1.00 0.00 C ATOM 575 C LEU A 37 -2.077 3.100 -0.807 1.00 0.00 C ATOM 576 O LEU A 37 -1.794 2.945 -1.978 1.00 0.00 O ATOM 577 CB LEU A 37 -0.771 4.658 0.651 1.00 0.00 C ATOM 578 CG LEU A 37 -0.588 6.125 1.054 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.698 6.554 2.025 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.778 6.295 1.737 1.00 0.00 C ATOM 0 H LEU A 37 -3.038 4.763 1.726 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.112 5.265 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.801 4.031 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.082 4.328 0.058 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.639 6.748 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.555 7.598 2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.669 6.436 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.659 5.932 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.913 7.337 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.822 5.664 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.569 6.005 1.046 1.00 0.00 H new ATOM 592 N LEU A 38 -2.417 2.098 -0.046 1.00 0.00 N ATOM 593 CA LEU A 38 -2.467 0.719 -0.598 1.00 0.00 C ATOM 594 C LEU A 38 -3.451 0.689 -1.767 1.00 0.00 C ATOM 595 O LEU A 38 -3.196 0.085 -2.790 1.00 0.00 O ATOM 596 CB LEU A 38 -2.937 -0.243 0.501 1.00 0.00 C ATOM 597 CG LEU A 38 -2.786 -1.713 0.043 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.334 -2.191 0.216 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.703 -2.605 0.888 1.00 0.00 C ATOM 0 H LEU A 38 -2.664 2.177 0.941 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.479 0.416 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.356 -0.078 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.979 -0.039 0.748 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.058 -1.776 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.251 -3.227 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.671 -1.566 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.050 -2.119 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.599 -3.642 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.425 -2.520 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.738 -2.288 0.760 1.00 0.00 H new ATOM 611 N SER A 39 -4.574 1.341 -1.627 1.00 0.00 N ATOM 612 CA SER A 39 -5.575 1.353 -2.732 1.00 0.00 C ATOM 613 C SER A 39 -4.885 1.774 -4.030 1.00 0.00 C ATOM 614 O SER A 39 -5.200 1.290 -5.097 1.00 0.00 O ATOM 615 CB SER A 39 -6.689 2.346 -2.400 1.00 0.00 C ATOM 616 OG SER A 39 -7.195 2.067 -1.102 1.00 0.00 O ATOM 0 H SER A 39 -4.841 1.866 -0.794 1.00 0.00 H new ATOM 0 HA SER A 39 -6.003 0.357 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.307 3.366 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.488 2.274 -3.138 1.00 0.00 H new ATOM 0 HG SER A 39 -6.587 2.436 -0.428 1.00 0.00 H new ATOM 622 N ARG A 40 -3.937 2.665 -3.940 1.00 0.00 N ATOM 623 CA ARG A 40 -3.213 3.108 -5.166 1.00 0.00 C ATOM 624 C ARG A 40 -2.214 2.019 -5.578 1.00 0.00 C ATOM 625 O ARG A 40 -2.084 1.692 -6.741 1.00 0.00 O ATOM 626 CB ARG A 40 -2.468 4.421 -4.865 1.00 0.00 C ATOM 627 CG ARG A 40 -3.426 5.618 -4.981 1.00 0.00 C ATOM 628 CD ARG A 40 -4.663 5.402 -4.095 1.00 0.00 C ATOM 629 NE ARG A 40 -5.638 4.525 -4.803 1.00 0.00 N ATOM 630 CZ ARG A 40 -6.304 4.980 -5.828 1.00 0.00 C ATOM 631 NH1 ARG A 40 -6.123 6.207 -6.233 1.00 0.00 N ATOM 632 NH2 ARG A 40 -7.154 4.207 -6.448 1.00 0.00 N ATOM 0 H ARG A 40 -3.632 3.106 -3.072 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.919 3.275 -5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.042 4.384 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.637 4.543 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.913 6.533 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.732 5.747 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.370 4.947 -3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.125 6.360 -3.859 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.785 3.567 -4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.460 6.812 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.644 6.562 -7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.297 3.248 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.675 4.562 -7.250 1.00 0.00 H new ATOM 646 N LEU A 41 -1.507 1.458 -4.634 1.00 0.00 N ATOM 647 CA LEU A 41 -0.516 0.396 -4.980 1.00 0.00 C ATOM 648 C LEU A 41 -1.223 -0.779 -5.659 1.00 0.00 C ATOM 649 O LEU A 41 -0.810 -1.236 -6.705 1.00 0.00 O ATOM 650 CB LEU A 41 0.180 -0.104 -3.708 1.00 0.00 C ATOM 651 CG LEU A 41 0.990 1.027 -3.048 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.576 0.519 -1.721 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.140 1.481 -3.974 1.00 0.00 C ATOM 0 H LEU A 41 -1.572 1.687 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 41 0.224 0.818 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.563 -0.483 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.841 -0.936 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 41 0.330 1.875 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.151 1.315 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.766 0.214 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.227 -0.333 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.702 2.281 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.804 0.639 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.727 1.844 -4.915 1.00 0.00 H new ATOM 665 N MET A 42 -2.274 -1.286 -5.074 1.00 0.00 N ATOM 666 CA MET A 42 -2.981 -2.443 -5.695 1.00 0.00 C ATOM 667 C MET A 42 -3.652 -2.013 -7.000 1.00 0.00 C ATOM 668 O MET A 42 -3.706 -2.763 -7.955 1.00 0.00 O ATOM 669 CB MET A 42 -4.038 -2.979 -4.720 1.00 0.00 C ATOM 670 CG MET A 42 -5.119 -1.914 -4.454 1.00 0.00 C ATOM 671 SD MET A 42 -6.363 -1.970 -5.772 1.00 0.00 S ATOM 672 CE MET A 42 -7.729 -1.223 -4.846 1.00 0.00 C ATOM 0 H MET A 42 -2.673 -0.951 -4.197 1.00 0.00 H new ATOM 0 HA MET A 42 -2.257 -3.227 -5.915 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.498 -3.877 -5.132 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.563 -3.265 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.590 -2.093 -3.487 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.666 -0.924 -4.410 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.630 -1.227 -5.460 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.908 -1.796 -3.936 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.473 -0.196 -4.584 1.00 0.00 H new ATOM 682 N MET A 43 -4.169 -0.817 -7.053 1.00 0.00 N ATOM 683 CA MET A 43 -4.837 -0.352 -8.302 1.00 0.00 C ATOM 684 C MET A 43 -3.872 -0.519 -9.472 1.00 0.00 C ATOM 685 O MET A 43 -4.273 -0.707 -10.603 1.00 0.00 O ATOM 686 CB MET A 43 -5.225 1.124 -8.161 1.00 0.00 C ATOM 687 CG MET A 43 -5.849 1.622 -9.467 1.00 0.00 C ATOM 688 SD MET A 43 -6.606 3.242 -9.194 1.00 0.00 S ATOM 689 CE MET A 43 -7.832 3.149 -10.521 1.00 0.00 C ATOM 0 H MET A 43 -4.158 -0.143 -6.288 1.00 0.00 H new ATOM 0 HA MET A 43 -5.737 -0.941 -8.479 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.931 1.247 -7.340 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.345 1.719 -7.917 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.087 1.691 -10.243 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.599 0.913 -9.818 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.423 4.065 -10.535 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.324 3.030 -11.478 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.489 2.296 -10.350 1.00 0.00 H new ATOM 699 N LYS A 44 -2.595 -0.447 -9.192 1.00 0.00 N ATOM 700 CA LYS A 44 -1.552 -0.594 -10.257 1.00 0.00 C ATOM 701 C LYS A 44 -0.622 -1.756 -9.888 1.00 0.00 C ATOM 702 O LYS A 44 0.585 -1.655 -9.988 1.00 0.00 O ATOM 703 CB LYS A 44 -0.746 0.705 -10.325 1.00 0.00 C ATOM 704 CG LYS A 44 -1.572 1.788 -11.027 1.00 0.00 C ATOM 705 CD LYS A 44 -0.890 3.147 -10.855 1.00 0.00 C ATOM 706 CE LYS A 44 -1.711 4.225 -11.564 1.00 0.00 C ATOM 707 NZ LYS A 44 -2.985 4.446 -10.822 1.00 0.00 N ATOM 0 H LYS A 44 -2.224 -0.290 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.017 -0.795 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.479 1.032 -9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.186 0.538 -10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.674 1.552 -12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.578 1.820 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.794 3.386 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.119 3.114 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.143 5.154 -11.618 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.923 3.921 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.405 5.351 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.648 3.672 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.792 4.469 -9.800 1.00 0.00 H new ATOM 721 N ALA A 45 -1.175 -2.857 -9.456 1.00 0.00 N ATOM 722 CA ALA A 45 -0.329 -4.020 -9.075 1.00 0.00 C ATOM 723 C ALA A 45 0.415 -4.549 -10.305 1.00 0.00 C ATOM 724 O ALA A 45 -0.164 -4.752 -11.354 1.00 0.00 O ATOM 725 CB ALA A 45 -1.216 -5.127 -8.503 1.00 0.00 C ATOM 0 H ALA A 45 -2.179 -3.000 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 45 0.397 -3.705 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.598 -5.980 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.741 -4.755 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.942 -5.436 -9.255 1.00 0.00 H new ATOM 731 N GLY A 46 1.700 -4.775 -10.178 1.00 0.00 N ATOM 732 CA GLY A 46 2.510 -5.298 -11.329 1.00 0.00 C ATOM 733 C GLY A 46 3.270 -4.146 -11.988 1.00 0.00 C ATOM 734 O GLY A 46 4.076 -4.351 -12.874 1.00 0.00 O ATOM 0 H GLY A 46 2.229 -4.619 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.211 -6.056 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.857 -5.780 -12.057 1.00 0.00 H new ATOM 738 N SER A 47 3.015 -2.933 -11.558 1.00 0.00 N ATOM 739 CA SER A 47 3.710 -1.738 -12.146 1.00 0.00 C ATOM 740 C SER A 47 4.215 -0.848 -11.000 1.00 0.00 C ATOM 741 O SER A 47 3.629 -0.826 -9.936 1.00 0.00 O ATOM 742 CB SER A 47 2.712 -0.951 -12.999 1.00 0.00 C ATOM 743 OG SER A 47 2.436 -1.678 -14.189 1.00 0.00 O ATOM 0 H SER A 47 2.348 -2.716 -10.817 1.00 0.00 H new ATOM 0 HA SER A 47 4.549 -2.056 -12.765 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.791 -0.783 -12.440 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.120 0.030 -13.244 1.00 0.00 H new ATOM 0 HG SER A 47 1.796 -1.178 -14.737 1.00 0.00 H new ATOM 749 N PRO A 48 5.291 -0.114 -11.196 1.00 0.00 N ATOM 750 CA PRO A 48 5.841 0.776 -10.131 1.00 0.00 C ATOM 751 C PRO A 48 5.017 2.055 -9.964 1.00 0.00 C ATOM 752 O PRO A 48 4.878 2.841 -10.882 1.00 0.00 O ATOM 753 CB PRO A 48 7.253 1.098 -10.646 1.00 0.00 C ATOM 754 CG PRO A 48 7.109 1.078 -12.134 1.00 0.00 C ATOM 755 CD PRO A 48 6.101 -0.041 -12.432 1.00 0.00 C ATOM 0 HA PRO A 48 5.829 0.306 -9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.595 2.070 -10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.980 0.361 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.752 2.038 -12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.066 0.884 -12.619 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.487 0.193 -13.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.601 -0.987 -12.641 1.00 0.00 H new ATOM 763 N VAL A 49 4.479 2.275 -8.792 1.00 0.00 N ATOM 764 CA VAL A 49 3.672 3.507 -8.546 1.00 0.00 C ATOM 765 C VAL A 49 4.576 4.595 -7.967 1.00 0.00 C ATOM 766 O VAL A 49 5.404 4.339 -7.118 1.00 0.00 O ATOM 767 CB VAL A 49 2.548 3.193 -7.553 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.788 4.479 -7.204 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.586 2.185 -8.186 1.00 0.00 C ATOM 0 H VAL A 49 4.565 1.650 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 49 3.238 3.853 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 49 2.974 2.773 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.990 4.250 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.475 5.197 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.359 4.905 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.784 1.957 -7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.162 2.609 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.126 1.270 -8.429 1.00 0.00 H new ATOM 779 N HIS A 50 4.419 5.812 -8.413 1.00 0.00 N ATOM 780 CA HIS A 50 5.267 6.910 -7.877 1.00 0.00 C ATOM 781 C HIS A 50 4.874 7.169 -6.417 1.00 0.00 C ATOM 782 O HIS A 50 3.734 7.459 -6.113 1.00 0.00 O ATOM 783 CB HIS A 50 5.049 8.178 -8.718 1.00 0.00 C ATOM 784 CG HIS A 50 6.174 9.160 -8.495 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.263 10.347 -9.211 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.262 9.151 -7.651 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.365 10.994 -8.792 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.007 10.309 -7.845 1.00 0.00 N ATOM 0 H HIS A 50 3.742 6.091 -9.123 1.00 0.00 H new ATOM 0 HA HIS A 50 6.320 6.632 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.992 7.915 -9.774 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.098 8.639 -8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.500 8.367 -6.948 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.690 11.950 -9.175 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.865 10.578 -7.364 1.00 0.00 H new ATOM 797 N ARG A 51 5.808 7.061 -5.513 1.00 0.00 N ATOM 798 CA ARG A 51 5.494 7.292 -4.074 1.00 0.00 C ATOM 799 C ARG A 51 4.796 8.641 -3.921 1.00 0.00 C ATOM 800 O ARG A 51 4.171 8.920 -2.916 1.00 0.00 O ATOM 801 CB ARG A 51 6.788 7.285 -3.251 1.00 0.00 C ATOM 802 CG ARG A 51 7.835 8.184 -3.919 1.00 0.00 C ATOM 803 CD ARG A 51 8.985 8.449 -2.943 1.00 0.00 C ATOM 804 NE ARG A 51 9.538 7.151 -2.462 1.00 0.00 N ATOM 805 CZ ARG A 51 10.622 7.133 -1.736 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.221 8.251 -1.428 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.107 5.996 -1.315 1.00 0.00 N ATOM 0 H ARG A 51 6.780 6.822 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 51 4.839 6.498 -3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.587 7.636 -2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.170 6.268 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.215 7.707 -4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.379 9.126 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.766 9.030 -3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.631 9.041 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 51 9.069 6.277 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.842 9.140 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.068 8.236 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.638 5.122 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.954 5.982 -0.747 1.00 0.00 H new ATOM 821 N GLU A 52 4.896 9.479 -4.912 1.00 0.00 N ATOM 822 CA GLU A 52 4.237 10.807 -4.828 1.00 0.00 C ATOM 823 C GLU A 52 2.719 10.620 -4.817 1.00 0.00 C ATOM 824 O GLU A 52 2.033 11.148 -3.968 1.00 0.00 O ATOM 825 CB GLU A 52 4.641 11.659 -6.036 1.00 0.00 C ATOM 826 CG GLU A 52 6.106 12.086 -5.902 1.00 0.00 C ATOM 827 CD GLU A 52 6.238 13.129 -4.790 1.00 0.00 C ATOM 828 OE1 GLU A 52 5.315 13.910 -4.623 1.00 0.00 O ATOM 829 OE2 GLU A 52 7.261 13.130 -4.124 1.00 0.00 O ATOM 0 H GLU A 52 5.406 9.301 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 52 4.548 11.310 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.501 11.092 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.001 12.539 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.728 11.220 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.463 12.499 -6.846 1.00 0.00 H new ATOM 836 N ILE A 53 2.190 9.862 -5.743 1.00 0.00 N ATOM 837 CA ILE A 53 0.715 9.641 -5.780 1.00 0.00 C ATOM 838 C ILE A 53 0.238 9.106 -4.430 1.00 0.00 C ATOM 839 O ILE A 53 -0.883 9.336 -4.021 1.00 0.00 O ATOM 840 CB ILE A 53 0.383 8.622 -6.874 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.874 9.149 -8.228 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.133 8.407 -6.928 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.801 8.031 -9.270 1.00 0.00 C ATOM 0 H ILE A 53 2.717 9.387 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 53 0.214 10.586 -5.991 1.00 0.00 H new ATOM 0 HB ILE A 53 0.876 7.676 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.263 9.995 -8.544 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.898 9.511 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.370 7.682 -7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.482 8.033 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.627 9.353 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.150 8.407 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.431 7.199 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.230 7.690 -9.366 1.00 0.00 H new ATOM 855 N LEU A 54 1.076 8.390 -3.736 1.00 0.00 N ATOM 856 CA LEU A 54 0.667 7.839 -2.415 1.00 0.00 C ATOM 857 C LEU A 54 0.609 8.972 -1.388 1.00 0.00 C ATOM 858 O LEU A 54 -0.176 8.947 -0.466 1.00 0.00 O ATOM 859 CB LEU A 54 1.679 6.777 -1.970 1.00 0.00 C ATOM 860 CG LEU A 54 2.014 5.856 -3.150 1.00 0.00 C ATOM 861 CD1 LEU A 54 2.967 4.749 -2.681 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.724 5.231 -3.706 1.00 0.00 C ATOM 0 H LEU A 54 2.027 8.162 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.318 7.380 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.586 7.257 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.270 6.193 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 54 2.495 6.438 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.205 4.094 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.884 5.197 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.490 4.168 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.968 4.578 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.235 4.651 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.054 6.021 -4.045 1.00 0.00 H new ATOM 874 N TYR A 55 1.419 9.978 -1.545 1.00 0.00 N ATOM 875 CA TYR A 55 1.372 11.106 -0.573 1.00 0.00 C ATOM 876 C TYR A 55 0.074 11.883 -0.818 1.00 0.00 C ATOM 877 O TYR A 55 -0.541 12.401 0.094 1.00 0.00 O ATOM 878 CB TYR A 55 2.600 12.017 -0.773 1.00 0.00 C ATOM 879 CG TYR A 55 2.877 12.802 0.498 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.255 12.121 1.663 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.755 14.201 0.515 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.511 12.832 2.840 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.012 14.910 1.695 1.00 0.00 C ATOM 884 CZ TYR A 55 3.389 14.226 2.857 1.00 0.00 C ATOM 885 OH TYR A 55 3.640 14.928 4.018 1.00 0.00 O ATOM 0 H TYR A 55 2.105 10.070 -2.294 1.00 0.00 H new ATOM 0 HA TYR A 55 1.393 10.735 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.470 11.416 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.424 12.702 -1.602 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.349 11.045 1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.463 14.729 -0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.803 12.305 3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.919 15.986 1.709 1.00 0.00 H new ATOM 0 HH TYR A 55 3.510 15.886 3.856 1.00 0.00 H new ATOM 895 N ASN A 56 -0.341 11.952 -2.052 1.00 0.00 N ATOM 896 CA ASN A 56 -1.595 12.674 -2.394 1.00 0.00 C ATOM 897 C ASN A 56 -2.789 11.991 -1.714 1.00 0.00 C ATOM 898 O ASN A 56 -3.836 12.577 -1.540 1.00 0.00 O ATOM 899 CB ASN A 56 -1.795 12.666 -3.911 1.00 0.00 C ATOM 900 CG ASN A 56 -0.622 13.379 -4.590 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.463 12.708 -4.870 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.693 14.559 -4.870 1.00 0.00 N flip ATOM 0 H ASN A 56 0.142 11.533 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.523 13.704 -2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.868 11.640 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.732 13.162 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.539 15.085 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.094 15.024 -5.323 1.00 0.00 H new ATOM 909 N ASP A 57 -2.647 10.750 -1.337 1.00 0.00 N ATOM 910 CA ASP A 57 -3.779 10.052 -0.680 1.00 0.00 C ATOM 911 C ASP A 57 -4.144 10.779 0.619 1.00 0.00 C ATOM 912 O ASP A 57 -5.282 11.141 0.842 1.00 0.00 O ATOM 913 CB ASP A 57 -3.370 8.618 -0.359 1.00 0.00 C ATOM 914 CG ASP A 57 -3.236 7.821 -1.658 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.566 8.300 -2.558 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.805 6.746 -1.730 1.00 0.00 O ATOM 0 H ASP A 57 -1.800 10.195 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.640 10.047 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.424 8.611 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.113 8.154 0.290 1.00 0.00 H new ATOM 1089 N THR A 69 10.059 13.587 7.650 1.00 0.00 N ATOM 1090 CA THR A 69 8.911 12.849 8.244 1.00 0.00 C ATOM 1091 C THR A 69 8.210 12.048 7.146 1.00 0.00 C ATOM 1092 O THR A 69 7.719 10.959 7.370 1.00 0.00 O ATOM 1093 CB THR A 69 7.917 13.842 8.856 1.00 0.00 C ATOM 1094 OG1 THR A 69 8.595 14.700 9.761 1.00 0.00 O ATOM 1095 CG2 THR A 69 6.823 13.077 9.602 1.00 0.00 C ATOM 0 HA THR A 69 9.275 12.177 9.022 1.00 0.00 H new ATOM 0 HB THR A 69 7.467 14.437 8.061 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.498 14.881 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.117 13.784 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.299 12.421 8.907 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.273 12.479 10.395 1.00 0.00 H new ATOM 1103 N LEU A 70 8.148 12.592 5.962 1.00 0.00 N ATOM 1104 CA LEU A 70 7.470 11.884 4.843 1.00 0.00 C ATOM 1105 C LEU A 70 8.155 10.538 4.588 1.00 0.00 C ATOM 1106 O LEU A 70 7.509 9.512 4.508 1.00 0.00 O ATOM 1107 CB LEU A 70 7.557 12.742 3.576 1.00 0.00 C ATOM 1108 CG LEU A 70 6.682 13.998 3.722 1.00 0.00 C ATOM 1109 CD1 LEU A 70 7.266 14.958 4.779 1.00 0.00 C ATOM 1110 CD2 LEU A 70 6.601 14.706 2.364 1.00 0.00 C ATOM 0 H LEU A 70 8.541 13.502 5.722 1.00 0.00 H new ATOM 0 HA LEU A 70 6.426 11.713 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.592 13.031 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.232 12.162 2.712 1.00 0.00 H new ATOM 0 HG LEU A 70 5.686 13.701 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.628 15.838 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.314 14.452 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.268 15.263 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.982 15.599 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.603 14.990 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.160 14.033 1.629 1.00 0.00 H new ATOM 1122 N GLU A 71 9.453 10.530 4.449 1.00 0.00 N ATOM 1123 CA GLU A 71 10.166 9.247 4.190 1.00 0.00 C ATOM 1124 C GLU A 71 10.119 8.369 5.439 1.00 0.00 C ATOM 1125 O GLU A 71 10.196 7.159 5.362 1.00 0.00 O ATOM 1126 CB GLU A 71 11.624 9.536 3.827 1.00 0.00 C ATOM 1127 CG GLU A 71 11.676 10.579 2.708 1.00 0.00 C ATOM 1128 CD GLU A 71 13.132 10.825 2.308 1.00 0.00 C ATOM 1129 OE1 GLU A 71 14.009 10.407 3.047 1.00 0.00 O ATOM 1130 OE2 GLU A 71 13.346 11.427 1.269 1.00 0.00 O ATOM 0 H GLU A 71 10.050 11.355 4.504 1.00 0.00 H new ATOM 0 HA GLU A 71 9.680 8.727 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.162 9.899 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.119 8.619 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.105 10.233 1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.217 11.510 3.042 1.00 0.00 H new ATOM 1137 N VAL A 72 9.994 8.967 6.589 1.00 0.00 N ATOM 1138 CA VAL A 72 9.944 8.165 7.841 1.00 0.00 C ATOM 1139 C VAL A 72 8.579 7.502 7.965 1.00 0.00 C ATOM 1140 O VAL A 72 8.474 6.326 8.251 1.00 0.00 O ATOM 1141 CB VAL A 72 10.168 9.084 9.035 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.126 8.270 10.330 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.529 9.771 8.902 1.00 0.00 C ATOM 0 H VAL A 72 9.924 9.977 6.716 1.00 0.00 H new ATOM 0 HA VAL A 72 10.719 7.399 7.815 1.00 0.00 H new ATOM 0 HB VAL A 72 9.382 9.839 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.287 8.932 11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.154 7.787 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.908 7.511 10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.690 10.429 9.756 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.316 9.017 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.552 10.357 7.983 1.00 0.00 H new ATOM 1153 N HIS A 73 7.529 8.237 7.727 1.00 0.00 N ATOM 1154 CA HIS A 73 6.172 7.628 7.808 1.00 0.00 C ATOM 1155 C HIS A 73 6.155 6.420 6.876 1.00 0.00 C ATOM 1156 O HIS A 73 5.573 5.394 7.167 1.00 0.00 O ATOM 1157 CB HIS A 73 5.120 8.645 7.359 1.00 0.00 C ATOM 1158 CG HIS A 73 3.745 8.089 7.613 1.00 0.00 C ATOM 1159 ND1 HIS A 73 3.329 7.692 8.877 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.679 7.860 6.779 1.00 0.00 C ATOM 1161 CE1 HIS A 73 2.063 7.248 8.766 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.623 7.330 7.510 1.00 0.00 N ATOM 0 H HIS A 73 7.551 9.227 7.481 1.00 0.00 H new ATOM 0 HA HIS A 73 5.945 7.327 8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.251 9.582 7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.244 8.869 6.299 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.664 8.061 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.477 6.872 9.591 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.704 7.060 7.159 1.00 0.00 H new ATOM 1171 N ILE A 74 6.814 6.546 5.758 1.00 0.00 N ATOM 1172 CA ILE A 74 6.866 5.416 4.800 1.00 0.00 C ATOM 1173 C ILE A 74 7.673 4.288 5.435 1.00 0.00 C ATOM 1174 O ILE A 74 7.329 3.128 5.325 1.00 0.00 O ATOM 1175 CB ILE A 74 7.509 5.868 3.482 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.577 6.885 2.808 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.705 4.653 2.562 1.00 0.00 C ATOM 1178 CD1 ILE A 74 7.244 7.479 1.564 1.00 0.00 C ATOM 0 H ILE A 74 7.318 7.385 5.470 1.00 0.00 H new ATOM 0 HA ILE A 74 5.859 5.066 4.575 1.00 0.00 H new ATOM 0 HB ILE A 74 8.480 6.325 3.675 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.641 6.401 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.328 7.681 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.162 4.975 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.354 3.927 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.738 4.194 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.570 8.198 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.168 7.981 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.469 6.681 0.856 1.00 0.00 H new ATOM 1190 N HIS A 75 8.742 4.615 6.108 1.00 0.00 N ATOM 1191 CA HIS A 75 9.554 3.547 6.752 1.00 0.00 C ATOM 1192 C HIS A 75 8.673 2.797 7.750 1.00 0.00 C ATOM 1193 O HIS A 75 8.763 1.592 7.897 1.00 0.00 O ATOM 1194 CB HIS A 75 10.743 4.174 7.484 1.00 0.00 C ATOM 1195 CG HIS A 75 11.648 3.085 7.993 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.240 2.173 8.956 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.944 2.750 7.683 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.271 1.340 9.189 1.00 0.00 C ATOM 1199 NE2 HIS A 75 13.330 1.650 8.440 1.00 0.00 N ATOM 0 H HIS A 75 9.085 5.567 6.239 1.00 0.00 H new ATOM 0 HA HIS A 75 9.928 2.858 5.995 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.292 4.833 6.811 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.391 4.787 8.314 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.566 3.262 6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.244 0.523 9.894 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.234 1.178 8.426 1.00 0.00 H new ATOM 1208 N ASN A 76 7.812 3.503 8.425 1.00 0.00 N ATOM 1209 CA ASN A 76 6.911 2.839 9.404 1.00 0.00 C ATOM 1210 C ASN A 76 5.851 2.045 8.644 1.00 0.00 C ATOM 1211 O ASN A 76 5.519 0.933 8.999 1.00 0.00 O ATOM 1212 CB ASN A 76 6.233 3.899 10.276 1.00 0.00 C ATOM 1213 CG ASN A 76 7.269 4.537 11.202 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.540 4.377 10.947 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 6.920 5.188 12.166 1.00 0.00 N flip ATOM 0 H ASN A 76 7.693 4.513 8.341 1.00 0.00 H new ATOM 0 HA ASN A 76 7.487 2.167 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.773 4.662 9.648 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.435 3.445 10.864 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.927 5.313 12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.619 5.610 12.777 1.00 0.00 H new ATOM 1222 N LEU A 77 5.319 2.612 7.597 1.00 0.00 N ATOM 1223 CA LEU A 77 4.279 1.900 6.805 1.00 0.00 C ATOM 1224 C LEU A 77 4.922 0.656 6.181 1.00 0.00 C ATOM 1225 O LEU A 77 4.337 -0.407 6.139 1.00 0.00 O ATOM 1226 CB LEU A 77 3.708 2.893 5.741 1.00 0.00 C ATOM 1227 CG LEU A 77 3.829 2.372 4.290 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.991 1.076 4.084 1.00 0.00 C ATOM 1229 CD2 LEU A 77 3.345 3.474 3.332 1.00 0.00 C ATOM 0 H LEU A 77 5.561 3.542 7.255 1.00 0.00 H new ATOM 0 HA LEU A 77 3.444 1.565 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.659 3.089 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.234 3.844 5.823 1.00 0.00 H new ATOM 0 HG LEU A 77 4.871 2.125 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.096 0.734 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.348 0.301 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.941 1.285 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.424 3.122 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.306 3.718 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.962 4.364 3.460 1.00 0.00 H new ATOM 1241 N ARG A 78 6.122 0.788 5.694 1.00 0.00 N ATOM 1242 CA ARG A 78 6.810 -0.378 5.068 1.00 0.00 C ATOM 1243 C ARG A 78 6.732 -1.591 6.003 1.00 0.00 C ATOM 1244 O ARG A 78 6.359 -2.675 5.602 1.00 0.00 O ATOM 1245 CB ARG A 78 8.278 -0.025 4.819 1.00 0.00 C ATOM 1246 CG ARG A 78 8.936 -1.124 3.983 1.00 0.00 C ATOM 1247 CD ARG A 78 10.403 -0.769 3.734 1.00 0.00 C ATOM 1248 NE ARG A 78 10.979 -1.709 2.731 1.00 0.00 N ATOM 1249 CZ ARG A 78 12.271 -1.770 2.559 1.00 0.00 C ATOM 1250 NH1 ARG A 78 13.060 -1.006 3.263 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.774 -2.595 1.681 1.00 0.00 N ATOM 0 H ARG A 78 6.660 1.655 5.701 1.00 0.00 H new ATOM 0 HA ARG A 78 6.323 -0.619 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.350 0.932 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.802 0.086 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.865 -2.081 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.412 -1.236 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.484 0.257 3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.965 -0.826 4.666 1.00 0.00 H new ATOM 0 HE ARG A 78 10.363 -2.305 2.179 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.667 -0.361 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.070 -1.054 3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.157 -3.192 1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.784 -2.643 1.546 1.00 0.00 H new ATOM 1265 N GLU A 79 7.093 -1.415 7.244 1.00 0.00 N ATOM 1266 CA GLU A 79 7.053 -2.557 8.204 1.00 0.00 C ATOM 1267 C GLU A 79 5.631 -3.119 8.323 1.00 0.00 C ATOM 1268 O GLU A 79 5.441 -4.296 8.559 1.00 0.00 O ATOM 1269 CB GLU A 79 7.522 -2.077 9.579 1.00 0.00 C ATOM 1270 CG GLU A 79 8.985 -1.635 9.498 1.00 0.00 C ATOM 1271 CD GLU A 79 9.880 -2.859 9.298 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.668 -3.843 9.988 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.763 -2.793 8.458 1.00 0.00 O ATOM 0 H GLU A 79 7.414 -0.530 7.636 1.00 0.00 H new ATOM 0 HA GLU A 79 7.710 -3.345 7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.900 -1.249 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.414 -2.877 10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.119 -0.935 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.268 -1.110 10.410 1.00 0.00 H new ATOM 1280 N LYS A 80 4.629 -2.294 8.180 1.00 0.00 N ATOM 1281 CA LYS A 80 3.228 -2.794 8.309 1.00 0.00 C ATOM 1282 C LYS A 80 2.895 -3.725 7.128 1.00 0.00 C ATOM 1283 O LYS A 80 2.321 -4.779 7.310 1.00 0.00 O ATOM 1284 CB LYS A 80 2.247 -1.591 8.339 1.00 0.00 C ATOM 1285 CG LYS A 80 1.943 -1.160 9.787 1.00 0.00 C ATOM 1286 CD LYS A 80 3.200 -0.577 10.434 1.00 0.00 C ATOM 1287 CE LYS A 80 2.954 -0.365 11.930 1.00 0.00 C ATOM 1288 NZ LYS A 80 4.202 0.137 12.571 1.00 0.00 N ATOM 0 H LYS A 80 4.718 -1.298 7.980 1.00 0.00 H new ATOM 0 HA LYS A 80 3.128 -3.356 9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.677 -0.753 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.319 -1.861 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.143 -0.419 9.794 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.591 -2.015 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.044 -1.251 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.460 0.369 9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.143 0.348 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.644 -1.301 12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.036 0.281 13.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.964 -0.559 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.478 1.039 12.134 1.00 0.00 H new ATOM 1302 N ILE A 81 3.234 -3.342 5.926 1.00 0.00 N ATOM 1303 CA ILE A 81 2.915 -4.211 4.752 1.00 0.00 C ATOM 1304 C ILE A 81 3.870 -5.406 4.713 1.00 0.00 C ATOM 1305 O ILE A 81 3.514 -6.479 4.268 1.00 0.00 O ATOM 1306 CB ILE A 81 3.051 -3.403 3.455 1.00 0.00 C ATOM 1307 CG1 ILE A 81 4.383 -2.651 3.452 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.902 -2.398 3.354 1.00 0.00 C ATOM 1309 CD1 ILE A 81 4.590 -1.988 2.089 1.00 0.00 C ATOM 0 H ILE A 81 3.715 -2.470 5.705 1.00 0.00 H new ATOM 0 HA ILE A 81 1.891 -4.573 4.847 1.00 0.00 H new ATOM 0 HB ILE A 81 3.017 -4.084 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.390 -1.898 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.202 -3.339 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.000 -1.825 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.951 -2.931 3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.935 -1.721 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.539 -1.452 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.602 -2.751 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.777 -1.288 1.898 1.00 0.00 H new ATOM 1321 N GLY A 82 5.083 -5.231 5.163 1.00 0.00 N ATOM 1322 CA GLY A 82 6.063 -6.359 5.140 1.00 0.00 C ATOM 1323 C GLY A 82 6.752 -6.396 3.775 1.00 0.00 C ATOM 1324 O GLY A 82 6.316 -7.072 2.865 1.00 0.00 O ATOM 0 H GLY A 82 5.440 -4.356 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.802 -6.231 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.553 -7.304 5.330 1.00 0.00 H new ATOM 1328 N LYS A 83 7.824 -5.666 3.631 1.00 0.00 N ATOM 1329 CA LYS A 83 8.560 -5.636 2.330 1.00 0.00 C ATOM 1330 C LYS A 83 8.733 -7.057 1.784 1.00 0.00 C ATOM 1331 O LYS A 83 9.026 -7.255 0.622 1.00 0.00 O ATOM 1332 CB LYS A 83 9.938 -5.004 2.544 1.00 0.00 C ATOM 1333 CG LYS A 83 10.709 -5.802 3.598 1.00 0.00 C ATOM 1334 CD LYS A 83 12.007 -5.069 3.942 1.00 0.00 C ATOM 1335 CE LYS A 83 12.698 -5.775 5.109 1.00 0.00 C ATOM 1336 NZ LYS A 83 11.901 -5.580 6.352 1.00 0.00 N ATOM 0 H LYS A 83 8.227 -5.083 4.365 1.00 0.00 H new ATOM 0 HA LYS A 83 7.988 -5.048 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.493 -4.990 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.829 -3.968 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.100 -5.926 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.931 -6.801 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.666 -5.048 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.793 -4.033 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.801 -6.839 4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.704 -5.378 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.509 -5.733 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.523 -4.612 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.114 -6.260 6.370 1.00 0.00 H new ATOM 1350 N SER A 84 8.567 -8.045 2.615 1.00 0.00 N ATOM 1351 CA SER A 84 8.735 -9.448 2.149 1.00 0.00 C ATOM 1352 C SER A 84 7.798 -9.721 0.970 1.00 0.00 C ATOM 1353 O SER A 84 8.213 -10.212 -0.062 1.00 0.00 O ATOM 1354 CB SER A 84 8.405 -10.406 3.293 1.00 0.00 C ATOM 1355 OG SER A 84 8.556 -11.745 2.842 1.00 0.00 O ATOM 0 H SER A 84 8.322 -7.942 3.600 1.00 0.00 H new ATOM 0 HA SER A 84 9.766 -9.599 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.064 -10.219 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.385 -10.240 3.639 1.00 0.00 H new ATOM 0 HG SER A 84 8.347 -12.362 3.574 1.00 0.00 H new ATOM 1361 N ARG A 85 6.531 -9.432 1.121 1.00 0.00 N ATOM 1362 CA ARG A 85 5.557 -9.703 0.011 1.00 0.00 C ATOM 1363 C ARG A 85 5.479 -8.511 -0.954 1.00 0.00 C ATOM 1364 O ARG A 85 4.627 -8.471 -1.820 1.00 0.00 O ATOM 1365 CB ARG A 85 4.175 -9.978 0.611 1.00 0.00 C ATOM 1366 CG ARG A 85 4.294 -11.015 1.739 1.00 0.00 C ATOM 1367 CD ARG A 85 4.999 -12.284 1.232 1.00 0.00 C ATOM 1368 NE ARG A 85 4.673 -13.423 2.134 1.00 0.00 N ATOM 1369 CZ ARG A 85 5.125 -14.618 1.867 1.00 0.00 C ATOM 1370 NH1 ARG A 85 5.867 -14.815 0.811 1.00 0.00 N ATOM 1371 NH2 ARG A 85 4.835 -15.618 2.655 1.00 0.00 N ATOM 0 H ARG A 85 6.125 -9.021 1.962 1.00 0.00 H new ATOM 0 HA ARG A 85 5.898 -10.572 -0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.746 -9.054 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.499 -10.344 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.852 -10.591 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.302 -11.268 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.680 -12.509 0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.077 -12.127 1.201 1.00 0.00 H new ATOM 0 HE ARG A 85 4.096 -13.269 2.961 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.094 -14.035 0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.220 -15.749 0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.255 -15.466 3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.189 -16.552 2.446 1.00 0.00 H new ATOM 1385 N ILE A 86 6.366 -7.550 -0.827 1.00 0.00 N ATOM 1386 CA ILE A 86 6.362 -6.364 -1.752 1.00 0.00 C ATOM 1387 C ILE A 86 7.798 -6.122 -2.231 1.00 0.00 C ATOM 1388 O ILE A 86 8.736 -6.641 -1.663 1.00 0.00 O ATOM 1389 CB ILE A 86 5.844 -5.114 -1.012 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.385 -5.346 -0.512 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.884 -3.905 -1.968 1.00 0.00 C ATOM 1392 CD1 ILE A 86 4.385 -5.878 0.928 1.00 0.00 C ATOM 0 H ILE A 86 7.099 -7.535 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 86 5.707 -6.559 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 86 6.480 -4.920 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.826 -4.412 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.879 -6.055 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.519 -3.019 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.909 -3.736 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.253 -4.105 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.358 -6.033 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.926 -6.824 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.871 -5.155 1.583 1.00 0.00 H new ATOM 1404 N ARG A 87 7.982 -5.351 -3.279 1.00 0.00 N ATOM 1405 CA ARG A 87 9.369 -5.092 -3.797 1.00 0.00 C ATOM 1406 C ARG A 87 9.501 -3.631 -4.240 1.00 0.00 C ATOM 1407 O ARG A 87 8.707 -3.127 -5.010 1.00 0.00 O ATOM 1408 CB ARG A 87 9.637 -6.008 -4.995 1.00 0.00 C ATOM 1409 CG ARG A 87 11.119 -5.942 -5.372 1.00 0.00 C ATOM 1410 CD ARG A 87 11.363 -6.773 -6.634 1.00 0.00 C ATOM 1411 NE ARG A 87 11.197 -8.220 -6.316 1.00 0.00 N ATOM 1412 CZ ARG A 87 12.117 -8.850 -5.636 1.00 0.00 C ATOM 1413 NH1 ARG A 87 13.183 -8.215 -5.233 1.00 0.00 N ATOM 1414 NH2 ARG A 87 11.969 -10.117 -5.360 1.00 0.00 N ATOM 0 H ARG A 87 7.234 -4.890 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 87 10.090 -5.292 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.359 -7.033 -4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.022 -5.704 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.416 -4.907 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.731 -6.318 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.664 -6.479 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.366 -6.587 -7.017 1.00 0.00 H new ATOM 0 HE ARG A 87 10.364 -8.718 -6.630 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.299 -7.225 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.900 -8.709 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.136 -10.614 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.687 -10.611 -4.829 1.00 0.00 H new ATOM 1428 N THR A 88 10.509 -2.950 -3.753 1.00 0.00 N ATOM 1429 CA THR A 88 10.719 -1.518 -4.135 1.00 0.00 C ATOM 1430 C THR A 88 11.581 -1.458 -5.399 1.00 0.00 C ATOM 1431 O THR A 88 12.491 -2.245 -5.575 1.00 0.00 O ATOM 1432 CB THR A 88 11.440 -0.785 -2.992 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.842 -0.983 -3.117 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.969 -1.332 -1.642 1.00 0.00 C ATOM 0 H THR A 88 11.200 -3.326 -3.103 1.00 0.00 H new ATOM 0 HA THR A 88 9.756 -1.042 -4.322 1.00 0.00 H new ATOM 0 HB THR A 88 11.211 0.279 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.304 -0.515 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.484 -0.808 -0.837 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.894 -1.181 -1.543 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.193 -2.397 -1.583 1.00 0.00 H new ATOM 1442 N VAL A 89 11.293 -0.537 -6.288 1.00 0.00 N ATOM 1443 CA VAL A 89 12.082 -0.423 -7.561 1.00 0.00 C ATOM 1444 C VAL A 89 13.078 0.737 -7.465 1.00 0.00 C ATOM 1445 O VAL A 89 12.706 1.893 -7.438 1.00 0.00 O ATOM 1446 CB VAL A 89 11.119 -0.171 -8.723 1.00 0.00 C ATOM 1447 CG1 VAL A 89 11.910 -0.021 -10.027 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.154 -1.355 -8.845 1.00 0.00 C ATOM 0 H VAL A 89 10.541 0.145 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 89 12.634 -1.348 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 89 10.557 0.744 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.221 0.158 -10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.599 0.819 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.474 -0.934 -10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.466 -1.180 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.720 -2.268 -9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.589 -1.461 -7.919 1.00 0.00 H new ATOM 1509 N GLY A 93 9.505 4.030 -6.674 1.00 0.00 N ATOM 1510 CA GLY A 93 8.043 3.727 -6.565 1.00 0.00 C ATOM 1511 C GLY A 93 7.852 2.430 -5.783 1.00 0.00 C ATOM 1512 O GLY A 93 8.668 2.057 -4.963 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.527 4.546 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.604 3.634 -7.559 1.00 0.00 H new ATOM 1516 N TYR A 94 6.775 1.738 -6.033 1.00 0.00 N ATOM 1517 CA TYR A 94 6.507 0.457 -5.317 1.00 0.00 C ATOM 1518 C TYR A 94 5.673 -0.441 -6.233 1.00 0.00 C ATOM 1519 O TYR A 94 4.898 0.031 -7.041 1.00 0.00 O ATOM 1520 CB TYR A 94 5.728 0.757 -4.015 1.00 0.00 C ATOM 1521 CG TYR A 94 6.689 0.984 -2.865 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.271 2.242 -2.675 1.00 0.00 C ATOM 1523 CD2 TYR A 94 6.995 -0.067 -1.990 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.159 2.450 -1.614 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.882 0.140 -0.930 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.464 1.398 -0.740 1.00 0.00 C ATOM 1527 OH TYR A 94 9.339 1.604 0.307 1.00 0.00 O ATOM 0 H TYR A 94 6.061 2.008 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 94 7.441 -0.044 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.102 1.638 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.062 -0.074 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.035 3.053 -3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.545 -1.038 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.609 3.421 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.118 -0.671 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 94 9.440 0.773 0.817 1.00 0.00 H new ATOM 1537 N MET A 95 5.820 -1.733 -6.111 1.00 0.00 N ATOM 1538 CA MET A 95 5.027 -2.662 -6.974 1.00 0.00 C ATOM 1539 C MET A 95 4.761 -3.962 -6.216 1.00 0.00 C ATOM 1540 O MET A 95 5.662 -4.593 -5.698 1.00 0.00 O ATOM 1541 CB MET A 95 5.795 -2.946 -8.280 1.00 0.00 C ATOM 1542 CG MET A 95 6.973 -3.909 -8.037 1.00 0.00 C ATOM 1543 SD MET A 95 6.384 -5.622 -8.111 1.00 0.00 S ATOM 1544 CE MET A 95 6.539 -5.846 -9.900 1.00 0.00 C ATOM 0 H MET A 95 6.453 -2.187 -5.453 1.00 0.00 H new ATOM 0 HA MET A 95 4.073 -2.200 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.117 -3.376 -9.017 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.167 -2.010 -8.697 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.748 -3.748 -8.786 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.423 -3.710 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 95 6.222 -6.854 -10.169 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.911 -5.118 -10.414 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.578 -5.701 -10.196 1.00 0.00 H new ATOM 1554 N LEU A 96 3.522 -4.360 -6.145 1.00 0.00 N ATOM 1555 CA LEU A 96 3.177 -5.623 -5.426 1.00 0.00 C ATOM 1556 C LEU A 96 3.476 -6.814 -6.345 1.00 0.00 C ATOM 1557 O LEU A 96 3.112 -6.823 -7.504 1.00 0.00 O ATOM 1558 CB LEU A 96 1.682 -5.605 -5.049 1.00 0.00 C ATOM 1559 CG LEU A 96 1.476 -4.842 -3.733 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.078 -3.439 -3.845 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.023 -4.731 -3.442 1.00 0.00 C ATOM 0 H LEU A 96 2.729 -3.865 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 96 3.769 -5.711 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.104 -5.135 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.313 -6.626 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 96 1.970 -5.380 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.928 -2.903 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.145 -3.517 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.590 -2.897 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.173 -4.190 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.513 -4.195 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.452 -5.729 -3.356 1.00 0.00 H new ATOM 1573 N ALA A 97 4.141 -7.815 -5.834 1.00 0.00 N ATOM 1574 CA ALA A 97 4.466 -9.000 -6.676 1.00 0.00 C ATOM 1575 C ALA A 97 3.182 -9.566 -7.283 1.00 0.00 C ATOM 1576 O ALA A 97 2.196 -9.764 -6.601 1.00 0.00 O ATOM 1577 CB ALA A 97 5.136 -10.069 -5.811 1.00 0.00 C ATOM 0 H ALA A 97 4.473 -7.863 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 97 5.143 -8.702 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.375 -10.937 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.053 -9.666 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.459 -10.366 -5.010 1.00 0.00 H new ATOM 1583 N ASN A 98 3.186 -9.830 -8.561 1.00 0.00 N ATOM 1584 CA ASN A 98 1.967 -10.385 -9.213 1.00 0.00 C ATOM 1585 C ASN A 98 1.533 -11.656 -8.483 1.00 0.00 C ATOM 1586 O ASN A 98 0.699 -11.623 -7.600 1.00 0.00 O ATOM 1587 CB ASN A 98 2.277 -10.715 -10.675 1.00 0.00 C ATOM 1588 CG ASN A 98 2.640 -9.431 -11.424 1.00 0.00 C ATOM 1589 OD1 ASN A 98 1.866 -8.387 -11.313 1.00 0.00 O flip ATOM 1590 ND2 ASN A 98 3.637 -9.379 -12.115 1.00 0.00 N flip ATOM 0 H ASN A 98 3.982 -9.685 -9.182 1.00 0.00 H new ATOM 0 HA ASN A 98 1.164 -9.650 -9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.101 -11.426 -10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.414 -11.189 -11.142 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.241 -10.196 -12.201 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.870 -8.518 -12.610 1.00 0.00 H new