USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 31:sc= 0.176 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -45:sc= 0.78! USER MOD Single : A 19 SER OG : rot 140:sc= -2.71! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -6.25! (180deg=-6.69!) USER MOD Single : A 29 SER OG : rot 20:sc= 0.302! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 54 SER OG : rot -169:sc= -5.36! USER MOD Single : A 58 THR OG1 : rot -140:sc= 0.135 USER MOD Single : A 59 ASN : amide:sc=-0.00453 X(o=-0.0045,f=0.14) USER MOD Single : A 65 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.9!) USER MOD Single : A 68 GLN : amide:sc= -1.53! X(o=-1.5!,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 72 ASN : amide:sc= -0.0877 K(o=-0.088,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00739) USER MOD Single : A 77 HIS : no HD1:sc= -11.1! C(o=-11!,f=-13!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.189 -15.773 2.443 1.00 0.00 N ATOM 93 CA SER A 9 -10.450 -14.819 3.252 1.00 0.00 C ATOM 94 C SER A 9 -9.840 -13.737 2.359 1.00 0.00 C ATOM 95 O SER A 9 -9.046 -14.038 1.468 1.00 0.00 O ATOM 96 CB SER A 9 -9.357 -15.516 4.064 1.00 0.00 C ATOM 97 OG SER A 9 -9.556 -15.365 5.467 1.00 0.00 O ATOM 0 HA SER A 9 -11.144 -14.354 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.339 -16.576 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.385 -15.107 3.790 1.00 0.00 H new ATOM 0 HG SER A 9 -8.838 -15.825 5.951 1.00 0.00 H new ATOM 103 N LYS A 10 -10.232 -12.501 2.628 1.00 0.00 N ATOM 104 CA LYS A 10 -9.734 -11.373 1.859 1.00 0.00 C ATOM 105 C LYS A 10 -9.359 -10.237 2.813 1.00 0.00 C ATOM 106 O LYS A 10 -9.576 -10.338 4.020 1.00 0.00 O ATOM 107 CB LYS A 10 -10.746 -10.966 0.786 1.00 0.00 C ATOM 108 CG LYS A 10 -10.171 -11.175 -0.616 1.00 0.00 C ATOM 109 CD LYS A 10 -11.251 -11.665 -1.584 1.00 0.00 C ATOM 110 CE LYS A 10 -10.702 -11.777 -3.007 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.693 -12.423 -3.896 1.00 0.00 N ATOM 0 H LYS A 10 -10.889 -12.255 3.368 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.828 -11.650 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.658 -11.552 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.021 -9.920 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.747 -10.240 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.358 -11.900 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.624 -12.636 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.096 -10.977 -1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.456 -10.786 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.778 -12.355 -3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.304 -12.491 -4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.908 -13.377 -3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.565 -11.856 -3.914 1.00 0.00 H new ATOM 125 N VAL A 11 -8.803 -9.182 2.237 1.00 0.00 N ATOM 126 CA VAL A 11 -8.397 -8.028 3.021 1.00 0.00 C ATOM 127 C VAL A 11 -8.500 -6.768 2.158 1.00 0.00 C ATOM 128 O VAL A 11 -8.223 -6.807 0.960 1.00 0.00 O ATOM 129 CB VAL A 11 -6.994 -8.250 3.589 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.987 -9.397 4.601 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.982 -8.500 2.469 1.00 0.00 C ATOM 0 H VAL A 11 -8.624 -9.102 1.236 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.062 -7.893 3.874 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.697 -7.341 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.978 -9.534 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.663 -9.161 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.315 -10.315 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.993 -8.655 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.275 -9.386 1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.956 -7.638 1.803 1.00 0.00 H new ATOM 141 N SER A 12 -8.901 -5.681 2.801 1.00 0.00 N ATOM 142 CA SER A 12 -9.045 -4.412 2.107 1.00 0.00 C ATOM 143 C SER A 12 -8.004 -3.415 2.620 1.00 0.00 C ATOM 144 O SER A 12 -7.965 -3.111 3.811 1.00 0.00 O ATOM 145 CB SER A 12 -10.455 -3.846 2.282 1.00 0.00 C ATOM 146 OG SER A 12 -10.828 -3.758 3.655 1.00 0.00 O ATOM 0 H SER A 12 -9.131 -5.653 3.794 1.00 0.00 H new ATOM 0 HA SER A 12 -8.882 -4.583 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.507 -2.857 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.168 -4.478 1.752 1.00 0.00 H new ATOM 0 HG SER A 12 -10.030 -3.600 4.201 1.00 0.00 H new ATOM 152 N PHE A 13 -7.187 -2.933 1.695 1.00 0.00 N ATOM 153 CA PHE A 13 -6.149 -1.976 2.039 1.00 0.00 C ATOM 154 C PHE A 13 -6.595 -0.547 1.723 1.00 0.00 C ATOM 155 O PHE A 13 -6.839 -0.211 0.565 1.00 0.00 O ATOM 156 CB PHE A 13 -4.926 -2.317 1.186 1.00 0.00 C ATOM 157 CG PHE A 13 -4.619 -3.814 1.108 1.00 0.00 C ATOM 158 CD1 PHE A 13 -3.819 -4.393 2.042 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.148 -4.565 0.105 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.534 -5.783 1.970 1.00 0.00 C ATOM 161 CE2 PHE A 13 -4.863 -5.954 0.033 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.063 -6.534 0.967 1.00 0.00 C ATOM 0 H PHE A 13 -7.223 -3.187 0.708 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.929 -2.032 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.082 -1.936 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.057 -1.799 1.592 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.400 -3.796 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.785 -4.105 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.898 -6.243 2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.282 -6.550 -0.764 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.848 -7.591 0.912 1.00 0.00 H new ATOM 172 N LYS A 14 -6.686 0.257 2.772 1.00 0.00 N ATOM 173 CA LYS A 14 -7.098 1.642 2.621 1.00 0.00 C ATOM 174 C LYS A 14 -5.860 2.518 2.417 1.00 0.00 C ATOM 175 O LYS A 14 -5.193 2.891 3.381 1.00 0.00 O ATOM 176 CB LYS A 14 -7.969 2.074 3.801 1.00 0.00 C ATOM 177 CG LYS A 14 -8.782 3.324 3.455 1.00 0.00 C ATOM 178 CD LYS A 14 -9.327 3.991 4.719 1.00 0.00 C ATOM 179 CE LYS A 14 -10.804 3.652 4.925 1.00 0.00 C ATOM 180 NZ LYS A 14 -10.997 2.930 6.202 1.00 0.00 N ATOM 0 H LYS A 14 -6.481 -0.025 3.731 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.722 1.759 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.643 1.263 4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.340 2.274 4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.156 4.029 2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.608 3.054 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.751 3.663 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.205 5.072 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.397 4.567 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.162 3.040 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.005 2.708 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.447 2.048 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.675 3.527 6.990 1.00 0.00 H new ATOM 194 N ILE A 15 -5.590 2.821 1.155 1.00 0.00 N ATOM 195 CA ILE A 15 -4.444 3.646 0.813 1.00 0.00 C ATOM 196 C ILE A 15 -4.933 4.972 0.226 1.00 0.00 C ATOM 197 O ILE A 15 -6.021 5.039 -0.344 1.00 0.00 O ATOM 198 CB ILE A 15 -3.489 2.881 -0.106 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.124 1.521 0.492 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.249 3.718 -0.426 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.926 0.475 -0.607 1.00 0.00 C ATOM 0 H ILE A 15 -6.145 2.510 0.358 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.867 3.886 1.706 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.001 2.691 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.212 1.612 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.911 1.195 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.587 3.151 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.551 4.639 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.725 3.960 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.667 -0.483 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.848 0.369 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.122 0.792 -1.271 1.00 0.00 H new ATOM 213 N THR A 16 -4.105 5.994 0.385 1.00 0.00 N ATOM 214 CA THR A 16 -4.439 7.314 -0.122 1.00 0.00 C ATOM 215 C THR A 16 -3.255 7.907 -0.887 1.00 0.00 C ATOM 216 O THR A 16 -2.292 8.376 -0.281 1.00 0.00 O ATOM 217 CB THR A 16 -4.891 8.174 1.060 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.113 7.573 1.480 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.297 9.586 0.635 1.00 0.00 C ATOM 0 H THR A 16 -3.203 5.934 0.858 1.00 0.00 H new ATOM 0 HA THR A 16 -5.258 7.266 -0.840 1.00 0.00 H new ATOM 0 HB THR A 16 -4.087 8.233 1.794 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.475 8.067 2.245 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.609 10.154 1.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.448 10.082 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.123 9.529 -0.074 1.00 0.00 H new ATOM 227 N LEU A 17 -3.364 7.867 -2.207 1.00 0.00 N ATOM 228 CA LEU A 17 -2.314 8.395 -3.061 1.00 0.00 C ATOM 229 C LEU A 17 -2.122 9.883 -2.765 1.00 0.00 C ATOM 230 O LEU A 17 -2.928 10.712 -3.186 1.00 0.00 O ATOM 231 CB LEU A 17 -2.616 8.093 -4.530 1.00 0.00 C ATOM 232 CG LEU A 17 -1.738 8.812 -5.557 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.437 8.045 -5.798 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.506 9.061 -6.856 1.00 0.00 C ATOM 0 H LEU A 17 -4.164 7.477 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.365 7.903 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.519 7.019 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.657 8.351 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.467 9.787 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.169 8.577 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.116 7.963 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.667 7.047 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.859 9.573 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.827 8.108 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.380 9.679 -6.649 1.00 0.00 H new ATOM 246 N THR A 18 -1.050 10.178 -2.044 1.00 0.00 N ATOM 247 CA THR A 18 -0.742 11.552 -1.688 1.00 0.00 C ATOM 248 C THR A 18 0.278 12.141 -2.664 1.00 0.00 C ATOM 249 O THR A 18 1.262 12.750 -2.247 1.00 0.00 O ATOM 250 CB THR A 18 -0.270 11.568 -0.233 1.00 0.00 C ATOM 251 OG1 THR A 18 0.081 12.929 0.003 1.00 0.00 O ATOM 252 CG2 THR A 18 1.041 10.805 -0.034 1.00 0.00 C ATOM 0 H THR A 18 -0.384 9.488 -1.697 1.00 0.00 H new ATOM 0 HA THR A 18 -1.624 12.188 -1.767 1.00 0.00 H new ATOM 0 HB THR A 18 -1.042 11.135 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.602 13.268 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.331 10.848 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.905 9.765 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.822 11.258 -0.645 1.00 0.00 H new ATOM 260 N SER A 19 0.009 11.937 -3.945 1.00 0.00 N ATOM 261 CA SER A 19 0.892 12.440 -4.985 1.00 0.00 C ATOM 262 C SER A 19 0.221 13.598 -5.725 1.00 0.00 C ATOM 263 O SER A 19 0.744 14.086 -6.726 1.00 0.00 O ATOM 264 CB SER A 19 1.273 11.331 -5.968 1.00 0.00 C ATOM 265 OG SER A 19 0.127 10.729 -6.564 1.00 0.00 O ATOM 0 H SER A 19 -0.808 11.430 -4.287 1.00 0.00 H new ATOM 0 HA SER A 19 1.806 12.800 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.913 11.742 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.854 10.569 -5.448 1.00 0.00 H new ATOM 0 HG SER A 19 0.304 10.558 -7.513 1.00 0.00 H new ATOM 271 N ASP A 20 -0.928 14.006 -5.205 1.00 0.00 N ATOM 272 CA ASP A 20 -1.675 15.098 -5.804 1.00 0.00 C ATOM 273 C ASP A 20 -2.589 15.724 -4.749 1.00 0.00 C ATOM 274 O ASP A 20 -2.883 15.103 -3.729 1.00 0.00 O ATOM 275 CB ASP A 20 -2.554 14.598 -6.953 1.00 0.00 C ATOM 276 CG ASP A 20 -2.379 15.350 -8.275 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.213 15.466 -8.711 1.00 0.00 O ATOM 278 OD2 ASP A 20 -3.414 15.791 -8.818 1.00 0.00 O ATOM 0 H ASP A 20 -1.359 13.599 -4.375 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.960 15.826 -6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.340 13.543 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.598 14.667 -6.648 1.00 0.00 H new ATOM 283 N PRO A 21 -3.024 16.980 -5.038 1.00 0.00 N ATOM 284 CA PRO A 21 -3.898 17.697 -4.126 1.00 0.00 C ATOM 285 C PRO A 21 -5.326 17.151 -4.190 1.00 0.00 C ATOM 286 O PRO A 21 -6.271 17.900 -4.431 1.00 0.00 O ATOM 287 CB PRO A 21 -3.800 19.154 -4.550 1.00 0.00 C ATOM 288 CG PRO A 21 -3.245 19.139 -5.965 1.00 0.00 C ATOM 289 CD PRO A 21 -2.697 17.747 -6.236 1.00 0.00 C ATOM 0 HA PRO A 21 -3.604 17.579 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.777 19.637 -4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.147 19.713 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.025 19.389 -6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.459 19.887 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.152 17.308 -7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.621 17.772 -6.409 1.00 0.00 H new ATOM 297 N ARG A 22 -5.437 15.849 -3.971 1.00 0.00 N ATOM 298 CA ARG A 22 -6.733 15.193 -4.001 1.00 0.00 C ATOM 299 C ARG A 22 -6.781 14.064 -2.970 1.00 0.00 C ATOM 300 O ARG A 22 -7.721 13.978 -2.181 1.00 0.00 O ATOM 301 CB ARG A 22 -7.028 14.620 -5.389 1.00 0.00 C ATOM 302 CG ARG A 22 -7.568 15.702 -6.326 1.00 0.00 C ATOM 303 CD ARG A 22 -9.093 15.625 -6.431 1.00 0.00 C ATOM 304 NE ARG A 22 -9.498 15.532 -7.852 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.760 15.661 -8.283 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.748 15.888 -7.407 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.034 15.562 -9.591 1.00 0.00 N ATOM 0 H ARG A 22 -4.651 15.231 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.489 15.941 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.119 14.190 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.754 13.811 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.274 16.686 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.125 15.586 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.460 14.758 -5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.542 16.506 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.771 15.359 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.540 15.963 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.709 15.986 -7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.282 15.388 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.995 15.660 -9.920 1.00 0.00 H new ATOM 321 N LEU A 23 -5.756 13.226 -3.009 1.00 0.00 N ATOM 322 CA LEU A 23 -5.669 12.106 -2.087 1.00 0.00 C ATOM 323 C LEU A 23 -6.810 11.127 -2.373 1.00 0.00 C ATOM 324 O LEU A 23 -7.680 10.919 -1.529 1.00 0.00 O ATOM 325 CB LEU A 23 -5.633 12.603 -0.641 1.00 0.00 C ATOM 326 CG LEU A 23 -4.273 13.084 -0.131 1.00 0.00 C ATOM 327 CD1 LEU A 23 -4.177 14.610 -0.180 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.988 12.537 1.269 1.00 0.00 C ATOM 0 H LEU A 23 -4.978 13.300 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.736 11.562 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.346 13.421 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.978 11.798 0.008 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.502 12.692 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.201 14.925 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.304 14.950 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.958 15.044 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.015 12.894 1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.760 12.879 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.985 11.447 1.240 1.00 0.00 H new ATOM 340 N PRO A 24 -6.768 10.536 -3.597 1.00 0.00 N ATOM 341 CA PRO A 24 -7.787 9.584 -4.004 1.00 0.00 C ATOM 342 C PRO A 24 -7.588 8.236 -3.308 1.00 0.00 C ATOM 343 O PRO A 24 -6.651 7.503 -3.623 1.00 0.00 O ATOM 344 CB PRO A 24 -7.662 9.496 -5.516 1.00 0.00 C ATOM 345 CG PRO A 24 -6.283 10.040 -5.852 1.00 0.00 C ATOM 346 CD PRO A 24 -5.752 10.757 -4.622 1.00 0.00 C ATOM 0 HA PRO A 24 -8.792 9.896 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.770 8.467 -5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.442 10.078 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.613 9.230 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.339 10.724 -6.698 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.786 10.355 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.608 11.820 -4.815 1.00 0.00 H new ATOM 354 N TYR A 25 -8.484 7.950 -2.375 1.00 0.00 N ATOM 355 CA TYR A 25 -8.418 6.703 -1.631 1.00 0.00 C ATOM 356 C TYR A 25 -9.248 5.613 -2.314 1.00 0.00 C ATOM 357 O TYR A 25 -10.249 5.907 -2.965 1.00 0.00 O ATOM 358 CB TYR A 25 -9.019 6.999 -0.256 1.00 0.00 C ATOM 359 CG TYR A 25 -10.549 6.986 -0.230 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.254 8.139 -0.509 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.224 5.821 0.072 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.694 8.126 -0.485 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.664 5.808 0.097 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.328 6.962 -0.183 1.00 0.00 C ATOM 365 OH TYR A 25 -14.687 6.950 -0.160 1.00 0.00 O ATOM 0 H TYR A 25 -9.260 8.560 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.390 6.347 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.647 6.264 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.668 7.975 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.726 9.051 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.672 4.918 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.258 9.021 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.204 4.903 0.333 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.002 6.051 0.069 1.00 0.00 H new ATOM 375 N LYS A 26 -8.800 4.378 -2.141 1.00 0.00 N ATOM 376 CA LYS A 26 -9.489 3.243 -2.732 1.00 0.00 C ATOM 377 C LYS A 26 -9.071 1.964 -2.005 1.00 0.00 C ATOM 378 O LYS A 26 -7.885 1.736 -1.773 1.00 0.00 O ATOM 379 CB LYS A 26 -9.249 3.199 -4.243 1.00 0.00 C ATOM 380 CG LYS A 26 -7.898 2.557 -4.564 1.00 0.00 C ATOM 381 CD LYS A 26 -8.051 1.057 -4.825 1.00 0.00 C ATOM 382 CE LYS A 26 -6.798 0.485 -5.490 1.00 0.00 C ATOM 383 NZ LYS A 26 -7.119 -0.767 -6.211 1.00 0.00 N ATOM 0 H LYS A 26 -7.969 4.138 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.567 3.343 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.048 2.635 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.281 4.210 -4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.461 3.039 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.209 2.717 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.237 0.538 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.917 0.882 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.382 1.215 -6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.035 0.292 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.299 -1.060 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.349 -1.514 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.935 -0.608 -6.836 1.00 0.00 H new ATOM 397 N VAL A 27 -10.070 1.162 -1.665 1.00 0.00 N ATOM 398 CA VAL A 27 -9.821 -0.089 -0.969 1.00 0.00 C ATOM 399 C VAL A 27 -9.610 -1.205 -1.994 1.00 0.00 C ATOM 400 O VAL A 27 -10.421 -1.380 -2.902 1.00 0.00 O ATOM 401 CB VAL A 27 -10.963 -0.381 0.006 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.080 0.722 1.060 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.286 -0.569 -0.739 1.00 0.00 C ATOM 0 H VAL A 27 -11.053 1.354 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.911 -0.020 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.733 -1.314 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.899 0.490 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.149 0.788 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.275 1.675 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.081 -0.775 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.524 0.339 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.197 -1.405 -1.433 1.00 0.00 H new ATOM 413 N LEU A 28 -8.516 -1.931 -1.814 1.00 0.00 N ATOM 414 CA LEU A 28 -8.188 -3.025 -2.712 1.00 0.00 C ATOM 415 C LEU A 28 -8.441 -4.356 -2.001 1.00 0.00 C ATOM 416 O LEU A 28 -7.913 -4.595 -0.916 1.00 0.00 O ATOM 417 CB LEU A 28 -6.761 -2.873 -3.243 1.00 0.00 C ATOM 418 CG LEU A 28 -6.294 -3.948 -4.227 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.113 -3.903 -5.518 1.00 0.00 C ATOM 420 CD2 LEU A 28 -4.792 -3.828 -4.496 1.00 0.00 C ATOM 0 H LEU A 28 -7.846 -1.783 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.834 -3.004 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.677 -1.901 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.077 -2.864 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.464 -4.924 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.761 -4.677 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.165 -4.074 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.998 -2.926 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.485 -4.603 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.576 -2.848 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.244 -3.948 -3.561 1.00 0.00 H new ATOM 432 N SER A 29 -9.250 -5.188 -2.641 1.00 0.00 N ATOM 433 CA SER A 29 -9.580 -6.489 -2.083 1.00 0.00 C ATOM 434 C SER A 29 -8.768 -7.580 -2.784 1.00 0.00 C ATOM 435 O SER A 29 -8.807 -7.697 -4.008 1.00 0.00 O ATOM 436 CB SER A 29 -11.077 -6.778 -2.208 1.00 0.00 C ATOM 437 OG SER A 29 -11.422 -7.258 -3.505 1.00 0.00 O ATOM 0 H SER A 29 -9.687 -4.987 -3.541 1.00 0.00 H new ATOM 0 HA SER A 29 -9.327 -6.481 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.368 -7.515 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.641 -5.869 -1.996 1.00 0.00 H new ATOM 0 HG SER A 29 -10.621 -7.609 -3.948 1.00 0.00 H new ATOM 443 N VAL A 30 -8.052 -8.350 -1.979 1.00 0.00 N ATOM 444 CA VAL A 30 -7.232 -9.427 -2.507 1.00 0.00 C ATOM 445 C VAL A 30 -7.116 -10.535 -1.457 1.00 0.00 C ATOM 446 O VAL A 30 -7.321 -10.293 -0.269 1.00 0.00 O ATOM 447 CB VAL A 30 -5.874 -8.881 -2.953 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.036 -7.562 -3.710 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.931 -8.717 -1.760 1.00 0.00 C ATOM 0 H VAL A 30 -8.022 -8.250 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.697 -9.864 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.428 -9.606 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.056 -7.195 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.655 -7.723 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.512 -6.827 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.973 -8.328 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.369 -8.022 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.778 -9.684 -1.281 1.00 0.00 H new ATOM 459 N PRO A 31 -6.778 -11.758 -1.947 1.00 0.00 N ATOM 460 CA PRO A 31 -6.632 -12.903 -1.066 1.00 0.00 C ATOM 461 C PRO A 31 -5.326 -12.822 -0.273 1.00 0.00 C ATOM 462 O PRO A 31 -4.241 -12.824 -0.854 1.00 0.00 O ATOM 463 CB PRO A 31 -6.697 -14.115 -1.981 1.00 0.00 C ATOM 464 CG PRO A 31 -6.410 -13.596 -3.380 1.00 0.00 C ATOM 465 CD PRO A 31 -6.527 -12.081 -3.349 1.00 0.00 C ATOM 0 HA PRO A 31 -7.413 -12.951 -0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.965 -14.867 -1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.678 -14.588 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.412 -13.895 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.115 -14.019 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.614 -11.606 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.339 -11.733 -3.987 1.00 0.00 H new ATOM 473 N GLU A 32 -5.472 -12.751 1.042 1.00 0.00 N ATOM 474 CA GLU A 32 -4.317 -12.669 1.920 1.00 0.00 C ATOM 475 C GLU A 32 -3.187 -13.557 1.395 1.00 0.00 C ATOM 476 O GLU A 32 -2.034 -13.132 1.341 1.00 0.00 O ATOM 477 CB GLU A 32 -4.691 -13.048 3.354 1.00 0.00 C ATOM 478 CG GLU A 32 -5.498 -14.348 3.385 1.00 0.00 C ATOM 479 CD GLU A 32 -5.928 -14.693 4.813 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.629 -13.849 5.413 1.00 0.00 O ATOM 481 OE2 GLU A 32 -5.548 -15.791 5.271 1.00 0.00 O ATOM 0 H GLU A 32 -6.373 -12.749 1.521 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.966 -11.637 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.786 -13.163 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.272 -12.244 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.379 -14.249 2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.900 -15.162 2.975 1.00 0.00 H new ATOM 488 N SER A 33 -3.557 -14.773 1.023 1.00 0.00 N ATOM 489 CA SER A 33 -2.589 -15.724 0.504 1.00 0.00 C ATOM 490 C SER A 33 -1.570 -15.004 -0.381 1.00 0.00 C ATOM 491 O SER A 33 -0.412 -15.411 -0.458 1.00 0.00 O ATOM 492 CB SER A 33 -3.280 -16.840 -0.283 1.00 0.00 C ATOM 493 OG SER A 33 -2.605 -18.087 -0.144 1.00 0.00 O ATOM 0 H SER A 33 -4.514 -15.122 1.071 1.00 0.00 H new ATOM 0 HA SER A 33 -2.071 -16.179 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.309 -16.944 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.324 -16.567 -1.337 1.00 0.00 H new ATOM 0 HG SER A 33 -3.077 -18.774 -0.659 1.00 0.00 H new ATOM 499 N THR A 34 -2.038 -13.946 -1.026 1.00 0.00 N ATOM 500 CA THR A 34 -1.182 -13.165 -1.903 1.00 0.00 C ATOM 501 C THR A 34 -0.255 -12.266 -1.081 1.00 0.00 C ATOM 502 O THR A 34 -0.634 -11.790 -0.012 1.00 0.00 O ATOM 503 CB THR A 34 -2.078 -12.390 -2.871 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.454 -13.358 -3.846 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.305 -11.338 -3.670 1.00 0.00 C ATOM 0 H THR A 34 -2.999 -13.611 -0.959 1.00 0.00 H new ATOM 0 HA THR A 34 -0.525 -13.807 -2.489 1.00 0.00 H new ATOM 0 HB THR A 34 -2.880 -11.906 -2.314 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.038 -12.941 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.988 -10.817 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.852 -10.621 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.524 -11.826 -4.253 1.00 0.00 H new ATOM 513 N PRO A 35 0.973 -12.055 -1.626 1.00 0.00 N ATOM 514 CA PRO A 35 1.956 -11.222 -0.955 1.00 0.00 C ATOM 515 C PRO A 35 1.603 -9.740 -1.091 1.00 0.00 C ATOM 516 O PRO A 35 1.434 -9.238 -2.201 1.00 0.00 O ATOM 517 CB PRO A 35 3.283 -11.579 -1.605 1.00 0.00 C ATOM 518 CG PRO A 35 2.934 -12.250 -2.924 1.00 0.00 C ATOM 519 CD PRO A 35 1.456 -12.602 -2.891 1.00 0.00 C ATOM 0 HA PRO A 35 1.994 -11.399 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.890 -10.688 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.863 -12.247 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.149 -11.584 -3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.537 -13.147 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.926 -12.167 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.305 -13.680 -2.940 1.00 0.00 H new ATOM 527 N PHE A 36 1.503 -9.081 0.054 1.00 0.00 N ATOM 528 CA PHE A 36 1.173 -7.666 0.076 1.00 0.00 C ATOM 529 C PHE A 36 1.961 -6.902 -0.990 1.00 0.00 C ATOM 530 O PHE A 36 1.524 -5.851 -1.456 1.00 0.00 O ATOM 531 CB PHE A 36 1.564 -7.137 1.458 1.00 0.00 C ATOM 532 CG PHE A 36 0.814 -5.871 1.875 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.133 -4.675 1.310 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.170 -5.940 2.811 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.437 -3.499 1.697 1.00 0.00 C ATOM 536 CE2 PHE A 36 -0.866 -4.764 3.198 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.548 -3.569 2.632 1.00 0.00 C ATOM 0 H PHE A 36 1.645 -9.501 0.973 1.00 0.00 H new ATOM 0 HA PHE A 36 0.111 -7.529 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.381 -7.916 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.635 -6.932 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.915 -4.620 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.422 -6.889 3.260 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.690 -2.549 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.647 -4.819 3.941 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.078 -2.675 2.925 1.00 0.00 H new ATOM 547 N THR A 37 3.108 -7.460 -1.346 1.00 0.00 N ATOM 548 CA THR A 37 3.961 -6.845 -2.349 1.00 0.00 C ATOM 549 C THR A 37 3.188 -6.641 -3.653 1.00 0.00 C ATOM 550 O THR A 37 3.457 -5.700 -4.398 1.00 0.00 O ATOM 551 CB THR A 37 5.206 -7.719 -2.511 1.00 0.00 C ATOM 552 OG1 THR A 37 6.218 -6.807 -2.929 1.00 0.00 O ATOM 553 CG2 THR A 37 5.085 -8.701 -3.678 1.00 0.00 C ATOM 0 H THR A 37 3.467 -8.332 -0.958 1.00 0.00 H new ATOM 0 HA THR A 37 4.283 -5.851 -2.039 1.00 0.00 H new ATOM 0 HB THR A 37 5.383 -8.272 -1.589 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.061 -7.290 -3.056 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.995 -9.297 -3.748 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.232 -9.360 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.941 -8.147 -4.606 1.00 0.00 H new ATOM 561 N ALA A 38 2.243 -7.539 -3.890 1.00 0.00 N ATOM 562 CA ALA A 38 1.429 -7.469 -5.092 1.00 0.00 C ATOM 563 C ALA A 38 0.470 -6.281 -4.985 1.00 0.00 C ATOM 564 O ALA A 38 0.264 -5.556 -5.957 1.00 0.00 O ATOM 565 CB ALA A 38 0.693 -8.796 -5.288 1.00 0.00 C ATOM 0 H ALA A 38 2.023 -8.319 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 38 2.055 -7.310 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.082 -8.744 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.419 -9.603 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.053 -8.988 -4.427 1.00 0.00 H new ATOM 571 N VAL A 39 -0.090 -6.118 -3.795 1.00 0.00 N ATOM 572 CA VAL A 39 -1.021 -5.031 -3.549 1.00 0.00 C ATOM 573 C VAL A 39 -0.452 -3.736 -4.131 1.00 0.00 C ATOM 574 O VAL A 39 -1.141 -3.024 -4.861 1.00 0.00 O ATOM 575 CB VAL A 39 -1.325 -4.931 -2.052 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.233 -3.736 -1.756 1.00 0.00 C ATOM 577 CG2 VAL A 39 -1.941 -6.230 -1.530 1.00 0.00 C ATOM 0 H VAL A 39 0.084 -6.721 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.971 -5.222 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.382 -4.773 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.434 -3.688 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.741 -2.817 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.173 -3.850 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.147 -6.132 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.870 -6.432 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.245 -7.053 -1.691 1.00 0.00 H new ATOM 587 N LEU A 40 0.799 -3.469 -3.787 1.00 0.00 N ATOM 588 CA LEU A 40 1.469 -2.272 -4.267 1.00 0.00 C ATOM 589 C LEU A 40 1.268 -2.152 -5.779 1.00 0.00 C ATOM 590 O LEU A 40 0.728 -1.157 -6.260 1.00 0.00 O ATOM 591 CB LEU A 40 2.938 -2.272 -3.840 1.00 0.00 C ATOM 592 CG LEU A 40 3.838 -1.247 -4.533 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.169 0.128 -4.577 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.217 -1.193 -3.872 1.00 0.00 C ATOM 0 H LEU A 40 1.367 -4.061 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 40 1.030 -1.383 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.983 -2.098 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.348 -3.266 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 40 3.988 -1.565 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.829 0.838 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.230 0.059 -5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.970 0.468 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.837 -0.457 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.108 -0.911 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.690 -2.173 -3.936 1.00 0.00 H new ATOM 606 N LYS A 41 1.713 -3.180 -6.487 1.00 0.00 N ATOM 607 CA LYS A 41 1.588 -3.202 -7.934 1.00 0.00 C ATOM 608 C LYS A 41 0.121 -3.005 -8.319 1.00 0.00 C ATOM 609 O LYS A 41 -0.215 -2.069 -9.042 1.00 0.00 O ATOM 610 CB LYS A 41 2.208 -4.478 -8.506 1.00 0.00 C ATOM 611 CG LYS A 41 3.733 -4.453 -8.377 1.00 0.00 C ATOM 612 CD LYS A 41 4.285 -5.859 -8.135 1.00 0.00 C ATOM 613 CE LYS A 41 4.839 -6.460 -9.429 1.00 0.00 C ATOM 614 NZ LYS A 41 4.509 -7.900 -9.514 1.00 0.00 N ATOM 0 H LYS A 41 2.161 -4.004 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 41 2.147 -2.377 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.809 -5.347 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.930 -4.583 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.172 -4.037 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.021 -3.798 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.072 -5.820 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.497 -6.500 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.423 -5.934 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.920 -6.326 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.892 -8.292 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.926 -8.400 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.476 -8.021 -9.501 1.00 0.00 H new ATOM 628 N PHE A 42 -0.715 -3.903 -7.818 1.00 0.00 N ATOM 629 CA PHE A 42 -2.139 -3.840 -8.100 1.00 0.00 C ATOM 630 C PHE A 42 -2.676 -2.423 -7.893 1.00 0.00 C ATOM 631 O PHE A 42 -3.144 -1.789 -8.837 1.00 0.00 O ATOM 632 CB PHE A 42 -2.832 -4.784 -7.115 1.00 0.00 C ATOM 633 CG PHE A 42 -4.206 -5.270 -7.581 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.151 -4.371 -7.965 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.482 -6.602 -7.612 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.426 -4.822 -8.398 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.757 -7.053 -8.044 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.702 -6.153 -8.428 1.00 0.00 C ATOM 0 H PHE A 42 -0.433 -4.678 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.326 -4.123 -9.136 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.191 -5.649 -6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.943 -4.275 -6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.932 -3.314 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.731 -7.316 -7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.176 -4.108 -8.703 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.977 -8.110 -8.068 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.672 -6.496 -8.757 1.00 0.00 H new ATOM 648 N ALA A 43 -2.592 -1.968 -6.651 1.00 0.00 N ATOM 649 CA ALA A 43 -3.065 -0.637 -6.309 1.00 0.00 C ATOM 650 C ALA A 43 -2.570 0.361 -7.358 1.00 0.00 C ATOM 651 O ALA A 43 -3.370 1.041 -7.999 1.00 0.00 O ATOM 652 CB ALA A 43 -2.598 -0.277 -4.897 1.00 0.00 C ATOM 0 H ALA A 43 -2.204 -2.497 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.155 -0.605 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.952 0.721 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.999 -0.999 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.509 -0.296 -4.858 1.00 0.00 H new ATOM 658 N ALA A 44 -1.254 0.417 -7.501 1.00 0.00 N ATOM 659 CA ALA A 44 -0.644 1.320 -8.461 1.00 0.00 C ATOM 660 C ALA A 44 -1.447 1.293 -9.763 1.00 0.00 C ATOM 661 O ALA A 44 -2.045 2.296 -10.149 1.00 0.00 O ATOM 662 CB ALA A 44 0.821 0.929 -8.671 1.00 0.00 C ATOM 0 H ALA A 44 -0.593 -0.149 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.658 2.344 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.279 1.607 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.354 0.993 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.875 -0.092 -9.049 1.00 0.00 H new ATOM 668 N GLU A 45 -1.435 0.133 -10.404 1.00 0.00 N ATOM 669 CA GLU A 45 -2.155 -0.038 -11.655 1.00 0.00 C ATOM 670 C GLU A 45 -3.546 0.589 -11.556 1.00 0.00 C ATOM 671 O GLU A 45 -3.972 1.309 -12.459 1.00 0.00 O ATOM 672 CB GLU A 45 -2.246 -1.517 -12.036 1.00 0.00 C ATOM 673 CG GLU A 45 -1.359 -1.827 -13.244 1.00 0.00 C ATOM 674 CD GLU A 45 -2.063 -2.784 -14.209 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.563 -3.819 -13.718 1.00 0.00 O ATOM 676 OE2 GLU A 45 -2.084 -2.459 -15.416 1.00 0.00 O ATOM 0 H GLU A 45 -0.938 -0.697 -10.081 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.603 0.474 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.943 -2.134 -11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.280 -1.775 -12.264 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.108 -0.902 -13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.421 -2.269 -12.907 1.00 0.00 H new ATOM 683 N GLU A 46 -4.217 0.294 -10.452 1.00 0.00 N ATOM 684 CA GLU A 46 -5.552 0.821 -10.224 1.00 0.00 C ATOM 685 C GLU A 46 -5.532 2.350 -10.256 1.00 0.00 C ATOM 686 O GLU A 46 -6.458 2.976 -10.769 1.00 0.00 O ATOM 687 CB GLU A 46 -6.125 0.308 -8.902 1.00 0.00 C ATOM 688 CG GLU A 46 -7.336 -0.596 -9.143 1.00 0.00 C ATOM 689 CD GLU A 46 -8.643 0.167 -8.922 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.932 1.052 -9.756 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.324 -0.151 -7.923 1.00 0.00 O ATOM 0 H GLU A 46 -3.861 -0.303 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.202 0.469 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.358 -0.243 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.415 1.152 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.306 -0.986 -10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.293 -1.453 -8.471 1.00 0.00 H new ATOM 698 N PHE A 47 -4.465 2.908 -9.701 1.00 0.00 N ATOM 699 CA PHE A 47 -4.313 4.353 -9.660 1.00 0.00 C ATOM 700 C PHE A 47 -3.658 4.872 -10.941 1.00 0.00 C ATOM 701 O PHE A 47 -3.214 6.018 -10.996 1.00 0.00 O ATOM 702 CB PHE A 47 -3.404 4.672 -8.471 1.00 0.00 C ATOM 703 CG PHE A 47 -4.151 4.857 -7.149 1.00 0.00 C ATOM 704 CD1 PHE A 47 -5.092 5.832 -7.029 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.875 4.046 -6.092 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.785 6.003 -5.802 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.568 4.217 -4.865 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.509 5.192 -4.746 1.00 0.00 C ATOM 0 H PHE A 47 -3.698 2.386 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.290 4.828 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.677 3.868 -8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.842 5.580 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.312 6.476 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.128 3.272 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.532 6.777 -5.707 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.348 3.573 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.037 5.322 -3.813 1.00 0.00 H new ATOM 718 N LYS A 48 -3.618 4.003 -11.941 1.00 0.00 N ATOM 719 CA LYS A 48 -3.025 4.360 -13.219 1.00 0.00 C ATOM 720 C LYS A 48 -1.655 4.999 -12.980 1.00 0.00 C ATOM 721 O LYS A 48 -1.401 6.116 -13.429 1.00 0.00 O ATOM 722 CB LYS A 48 -3.981 5.238 -14.027 1.00 0.00 C ATOM 723 CG LYS A 48 -4.862 4.389 -14.946 1.00 0.00 C ATOM 724 CD LYS A 48 -4.919 4.984 -16.354 1.00 0.00 C ATOM 725 CE LYS A 48 -4.376 3.996 -17.389 1.00 0.00 C ATOM 726 NZ LYS A 48 -5.252 3.959 -18.581 1.00 0.00 N ATOM 0 H LYS A 48 -3.986 3.053 -11.892 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.860 3.469 -13.825 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.608 5.817 -13.350 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.410 5.951 -14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.472 3.372 -14.993 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.869 4.325 -14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.948 5.246 -16.601 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.339 5.906 -16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.366 4.285 -17.681 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.308 3.001 -16.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.869 3.284 -19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.208 3.662 -18.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.296 4.906 -19.009 1.00 0.00 H new ATOM 740 N VAL A 49 -0.810 4.264 -12.272 1.00 0.00 N ATOM 741 CA VAL A 49 0.527 4.746 -11.968 1.00 0.00 C ATOM 742 C VAL A 49 1.548 3.666 -12.330 1.00 0.00 C ATOM 743 O VAL A 49 1.188 2.505 -12.520 1.00 0.00 O ATOM 744 CB VAL A 49 0.607 5.176 -10.502 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.281 6.664 -10.349 1.00 0.00 C ATOM 746 CG2 VAL A 49 -0.313 4.321 -9.628 1.00 0.00 C ATOM 0 H VAL A 49 -1.025 3.339 -11.900 1.00 0.00 H new ATOM 0 HA VAL A 49 0.760 5.628 -12.565 1.00 0.00 H new ATOM 0 HB VAL A 49 1.631 5.020 -10.163 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.345 6.944 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.994 7.254 -10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.728 6.855 -10.715 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.237 4.648 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.343 4.430 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.016 3.275 -9.702 1.00 0.00 H new ATOM 756 N PRO A 50 2.835 4.098 -12.418 1.00 0.00 N ATOM 757 CA PRO A 50 3.911 3.181 -12.754 1.00 0.00 C ATOM 758 C PRO A 50 4.257 2.282 -11.565 1.00 0.00 C ATOM 759 O PRO A 50 4.643 2.771 -10.505 1.00 0.00 O ATOM 760 CB PRO A 50 5.066 4.071 -13.183 1.00 0.00 C ATOM 761 CG PRO A 50 4.755 5.452 -12.631 1.00 0.00 C ATOM 762 CD PRO A 50 3.297 5.465 -12.200 1.00 0.00 C ATOM 0 HA PRO A 50 3.641 2.489 -13.552 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.013 3.698 -12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.157 4.096 -14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.405 5.680 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.936 6.215 -13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.196 5.755 -11.154 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.717 6.178 -12.786 1.00 0.00 H new ATOM 770 N ALA A 51 4.106 0.984 -11.782 1.00 0.00 N ATOM 771 CA ALA A 51 4.398 0.013 -10.742 1.00 0.00 C ATOM 772 C ALA A 51 5.894 -0.311 -10.757 1.00 0.00 C ATOM 773 O ALA A 51 6.280 -1.472 -10.879 1.00 0.00 O ATOM 774 CB ALA A 51 3.531 -1.231 -10.946 1.00 0.00 C ATOM 0 H ALA A 51 3.785 0.582 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 51 4.158 0.420 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.750 -1.959 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.478 -0.953 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.746 -1.668 -11.921 1.00 0.00 H new ATOM 780 N ALA A 52 6.694 0.737 -10.632 1.00 0.00 N ATOM 781 CA ALA A 52 8.139 0.580 -10.629 1.00 0.00 C ATOM 782 C ALA A 52 8.749 1.522 -9.590 1.00 0.00 C ATOM 783 O ALA A 52 9.586 1.110 -8.788 1.00 0.00 O ATOM 784 CB ALA A 52 8.682 0.834 -12.037 1.00 0.00 C ATOM 0 H ALA A 52 6.369 1.699 -10.532 1.00 0.00 H new ATOM 0 HA ALA A 52 8.414 -0.438 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.766 0.717 -12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.240 0.120 -12.732 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.427 1.847 -12.348 1.00 0.00 H new ATOM 790 N THR A 53 8.306 2.770 -9.637 1.00 0.00 N ATOM 791 CA THR A 53 8.798 3.774 -8.710 1.00 0.00 C ATOM 792 C THR A 53 7.766 4.037 -7.611 1.00 0.00 C ATOM 793 O THR A 53 7.470 5.188 -7.295 1.00 0.00 O ATOM 794 CB THR A 53 9.161 5.024 -9.514 1.00 0.00 C ATOM 795 OG1 THR A 53 7.966 5.338 -10.224 1.00 0.00 O ATOM 796 CG2 THR A 53 10.183 4.735 -10.615 1.00 0.00 C ATOM 0 H THR A 53 7.611 3.108 -10.303 1.00 0.00 H new ATOM 0 HA THR A 53 9.695 3.430 -8.195 1.00 0.00 H new ATOM 0 HB THR A 53 9.557 5.786 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.111 6.138 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.406 5.655 -11.155 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.098 4.345 -10.169 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.774 3.998 -11.307 1.00 0.00 H new ATOM 804 N SER A 54 7.246 2.950 -7.059 1.00 0.00 N ATOM 805 CA SER A 54 6.254 3.049 -6.003 1.00 0.00 C ATOM 806 C SER A 54 6.654 2.160 -4.824 1.00 0.00 C ATOM 807 O SER A 54 7.394 1.193 -4.995 1.00 0.00 O ATOM 808 CB SER A 54 4.865 2.659 -6.514 1.00 0.00 C ATOM 809 OG SER A 54 4.667 1.248 -6.497 1.00 0.00 O ATOM 0 H SER A 54 7.494 1.997 -7.324 1.00 0.00 H new ATOM 0 HA SER A 54 6.212 4.086 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.104 3.139 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.735 3.031 -7.530 1.00 0.00 H new ATOM 0 HG SER A 54 3.847 1.027 -6.987 1.00 0.00 H new ATOM 815 N ALA A 55 6.147 2.520 -3.654 1.00 0.00 N ATOM 816 CA ALA A 55 6.442 1.767 -2.447 1.00 0.00 C ATOM 817 C ALA A 55 5.411 2.111 -1.371 1.00 0.00 C ATOM 818 O ALA A 55 4.834 3.197 -1.384 1.00 0.00 O ATOM 819 CB ALA A 55 7.875 2.064 -1.998 1.00 0.00 C ATOM 0 H ALA A 55 5.534 3.323 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 55 6.375 0.696 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.097 1.499 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.570 1.775 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.979 3.130 -1.796 1.00 0.00 H new ATOM 825 N ILE A 56 5.210 1.166 -0.464 1.00 0.00 N ATOM 826 CA ILE A 56 4.258 1.355 0.617 1.00 0.00 C ATOM 827 C ILE A 56 5.001 1.338 1.954 1.00 0.00 C ATOM 828 O ILE A 56 5.857 0.484 2.181 1.00 0.00 O ATOM 829 CB ILE A 56 3.131 0.324 0.526 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.204 0.628 -0.653 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.367 0.229 1.847 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.270 -0.551 -0.934 1.00 0.00 C ATOM 0 H ILE A 56 5.691 0.266 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 56 3.775 2.328 0.533 1.00 0.00 H new ATOM 0 HB ILE A 56 3.576 -0.654 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.615 1.520 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.798 0.846 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.572 -0.511 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.050 -0.070 2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.934 1.200 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.622 -0.309 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.861 -1.435 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.660 -0.750 -0.053 1.00 0.00 H new ATOM 844 N ILE A 57 4.647 2.290 2.804 1.00 0.00 N ATOM 845 CA ILE A 57 5.270 2.395 4.113 1.00 0.00 C ATOM 846 C ILE A 57 4.182 2.434 5.188 1.00 0.00 C ATOM 847 O ILE A 57 2.997 2.531 4.875 1.00 0.00 O ATOM 848 CB ILE A 57 6.223 3.590 4.158 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.467 4.903 3.946 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.366 3.419 3.156 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.110 6.042 4.740 1.00 0.00 C ATOM 0 H ILE A 57 3.936 2.996 2.612 1.00 0.00 H new ATOM 0 HA ILE A 57 5.886 1.519 4.314 1.00 0.00 H new ATOM 0 HB ILE A 57 6.670 3.632 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.458 5.154 2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.428 4.782 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.029 4.283 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.927 2.516 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.958 3.336 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.553 6.963 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.095 5.799 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.141 6.177 4.413 1.00 0.00 H new ATOM 863 N THR A 58 4.625 2.356 6.435 1.00 0.00 N ATOM 864 CA THR A 58 3.704 2.381 7.559 1.00 0.00 C ATOM 865 C THR A 58 3.569 3.804 8.105 1.00 0.00 C ATOM 866 O THR A 58 3.984 4.764 7.457 1.00 0.00 O ATOM 867 CB THR A 58 4.201 1.375 8.599 1.00 0.00 C ATOM 868 OG1 THR A 58 5.521 1.816 8.906 1.00 0.00 O ATOM 869 CG2 THR A 58 4.402 -0.023 8.012 1.00 0.00 C ATOM 0 H THR A 58 5.609 2.276 6.691 1.00 0.00 H new ATOM 0 HA THR A 58 2.699 2.086 7.255 1.00 0.00 H new ATOM 0 HB THR A 58 3.489 1.324 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.111 1.040 9.001 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.755 -0.698 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.456 -0.391 7.615 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.139 0.022 7.210 1.00 0.00 H new ATOM 877 N ASN A 59 2.986 3.895 9.292 1.00 0.00 N ATOM 878 CA ASN A 59 2.790 5.184 9.932 1.00 0.00 C ATOM 879 C ASN A 59 3.981 5.481 10.846 1.00 0.00 C ATOM 880 O ASN A 59 3.842 6.183 11.846 1.00 0.00 O ATOM 881 CB ASN A 59 1.524 5.186 10.791 1.00 0.00 C ATOM 882 CG ASN A 59 0.852 6.560 10.774 1.00 0.00 C ATOM 883 OD1 ASN A 59 1.490 7.594 10.882 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.470 6.513 10.633 1.00 0.00 N ATOM 0 H ASN A 59 2.643 3.097 9.827 1.00 0.00 H new ATOM 0 HA ASN A 59 2.697 5.938 9.150 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.828 4.432 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.775 4.913 11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.011 7.377 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.942 5.613 10.548 1.00 0.00 H new ATOM 891 N ASP A 60 5.126 4.930 10.469 1.00 0.00 N ATOM 892 CA ASP A 60 6.341 5.127 11.242 1.00 0.00 C ATOM 893 C ASP A 60 7.556 4.888 10.344 1.00 0.00 C ATOM 894 O ASP A 60 8.627 4.522 10.826 1.00 0.00 O ATOM 895 CB ASP A 60 6.416 4.143 12.411 1.00 0.00 C ATOM 896 CG ASP A 60 5.701 4.596 13.685 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.108 5.650 14.219 1.00 0.00 O ATOM 898 OD2 ASP A 60 4.764 3.878 14.096 1.00 0.00 O ATOM 0 H ASP A 60 5.238 4.348 9.639 1.00 0.00 H new ATOM 0 HA ASP A 60 6.333 6.146 11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.991 3.191 12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.465 3.961 12.646 1.00 0.00 H new ATOM 903 N GLY A 61 7.350 5.104 9.053 1.00 0.00 N ATOM 904 CA GLY A 61 8.415 4.917 8.083 1.00 0.00 C ATOM 905 C GLY A 61 9.287 3.715 8.452 1.00 0.00 C ATOM 906 O GLY A 61 10.513 3.814 8.464 1.00 0.00 O ATOM 0 H GLY A 61 6.461 5.407 8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.987 4.770 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.030 5.816 8.035 1.00 0.00 H new ATOM 910 N ILE A 62 8.621 2.608 8.743 1.00 0.00 N ATOM 911 CA ILE A 62 9.320 1.389 9.112 1.00 0.00 C ATOM 912 C ILE A 62 9.273 0.405 7.941 1.00 0.00 C ATOM 913 O ILE A 62 9.774 -0.714 8.045 1.00 0.00 O ATOM 914 CB ILE A 62 8.756 0.821 10.416 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.455 1.436 11.630 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.831 -0.708 10.426 1.00 0.00 C ATOM 917 CD1 ILE A 62 8.648 1.197 12.907 1.00 0.00 C ATOM 0 H ILE A 62 7.604 2.529 8.731 1.00 0.00 H new ATOM 0 HA ILE A 62 10.371 1.598 9.311 1.00 0.00 H new ATOM 0 HB ILE A 62 7.702 1.093 10.479 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.450 1.004 11.738 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.587 2.507 11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.424 -1.086 11.364 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.252 -1.106 9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.870 -1.022 10.329 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.167 1.644 13.755 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.662 1.651 12.805 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.539 0.125 13.073 1.00 0.00 H new ATOM 929 N GLY A 63 8.666 0.857 6.854 1.00 0.00 N ATOM 930 CA GLY A 63 8.547 0.031 5.665 1.00 0.00 C ATOM 931 C GLY A 63 7.719 -1.224 5.950 1.00 0.00 C ATOM 932 O GLY A 63 7.219 -1.403 7.059 1.00 0.00 O ATOM 0 H GLY A 63 8.251 1.785 6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.080 0.605 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.539 -0.255 5.316 1.00 0.00 H new ATOM 936 N ILE A 64 7.599 -2.059 4.929 1.00 0.00 N ATOM 937 CA ILE A 64 6.840 -3.292 5.055 1.00 0.00 C ATOM 938 C ILE A 64 7.741 -4.478 4.707 1.00 0.00 C ATOM 939 O ILE A 64 8.835 -4.296 4.175 1.00 0.00 O ATOM 940 CB ILE A 64 5.562 -3.223 4.217 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.752 -1.970 4.555 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.734 -4.500 4.374 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.771 -2.242 5.698 1.00 0.00 C ATOM 0 H ILE A 64 8.015 -1.906 4.010 1.00 0.00 H new ATOM 0 HA ILE A 64 6.511 -3.433 6.084 1.00 0.00 H new ATOM 0 HB ILE A 64 5.845 -3.150 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.427 -1.161 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.205 -1.638 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.831 -4.425 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.321 -5.357 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.459 -4.629 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.208 -1.335 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.082 -3.035 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.323 -2.551 6.586 1.00 0.00 H new ATOM 955 N ASN A 65 7.247 -5.667 5.020 1.00 0.00 N ATOM 956 CA ASN A 65 7.994 -6.883 4.746 1.00 0.00 C ATOM 957 C ASN A 65 7.053 -7.931 4.148 1.00 0.00 C ATOM 958 O ASN A 65 6.322 -8.601 4.875 1.00 0.00 O ATOM 959 CB ASN A 65 8.592 -7.463 6.029 1.00 0.00 C ATOM 960 CG ASN A 65 9.978 -6.875 6.303 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.694 -6.464 5.405 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.314 -6.859 7.589 1.00 0.00 N ATOM 0 H ASN A 65 6.339 -5.814 5.461 1.00 0.00 H new ATOM 0 HA ASN A 65 8.798 -6.635 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.931 -7.253 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.664 -8.547 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.219 -6.486 7.875 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.666 -7.219 8.290 1.00 0.00 H new ATOM 969 N PRO A 66 7.103 -8.042 2.793 1.00 0.00 N ATOM 970 CA PRO A 66 6.264 -8.996 2.089 1.00 0.00 C ATOM 971 C PRO A 66 6.792 -10.422 2.260 1.00 0.00 C ATOM 972 O PRO A 66 6.982 -11.139 1.279 1.00 0.00 O ATOM 973 CB PRO A 66 6.267 -8.531 0.642 1.00 0.00 C ATOM 974 CG PRO A 66 7.472 -7.615 0.502 1.00 0.00 C ATOM 975 CD PRO A 66 7.956 -7.264 1.900 1.00 0.00 C ATOM 0 HA PRO A 66 5.247 -9.030 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.339 -9.378 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.345 -8.003 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.263 -8.108 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.204 -6.712 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.007 -7.522 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.863 -6.196 2.095 1.00 0.00 H new ATOM 983 N ALA A 67 7.016 -10.790 3.513 1.00 0.00 N ATOM 984 CA ALA A 67 7.519 -12.117 3.825 1.00 0.00 C ATOM 985 C ALA A 67 6.349 -13.023 4.212 1.00 0.00 C ATOM 986 O ALA A 67 6.477 -14.246 4.203 1.00 0.00 O ATOM 987 CB ALA A 67 8.571 -12.017 4.932 1.00 0.00 C ATOM 0 H ALA A 67 6.858 -10.192 4.324 1.00 0.00 H new ATOM 0 HA ALA A 67 8.003 -12.559 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.948 -13.012 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.394 -11.387 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.121 -11.581 5.824 1.00 0.00 H new ATOM 993 N GLN A 68 5.234 -12.388 4.543 1.00 0.00 N ATOM 994 CA GLN A 68 4.042 -13.122 4.932 1.00 0.00 C ATOM 995 C GLN A 68 2.844 -12.671 4.094 1.00 0.00 C ATOM 996 O GLN A 68 2.899 -11.637 3.431 1.00 0.00 O ATOM 997 CB GLN A 68 3.760 -12.955 6.427 1.00 0.00 C ATOM 998 CG GLN A 68 3.833 -11.483 6.838 1.00 0.00 C ATOM 999 CD GLN A 68 5.225 -11.130 7.366 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.786 -11.806 8.213 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.749 -10.036 6.821 1.00 0.00 N ATOM 0 H GLN A 68 5.131 -11.373 4.550 1.00 0.00 H new ATOM 0 HA GLN A 68 4.213 -14.182 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.773 -13.353 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.482 -13.533 7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.593 -10.851 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.086 -11.278 7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.225 -9.516 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.674 -9.717 7.107 1.00 0.00 H new ATOM 1010 N THR A 69 1.788 -13.470 4.152 1.00 0.00 N ATOM 1011 CA THR A 69 0.579 -13.166 3.407 1.00 0.00 C ATOM 1012 C THR A 69 0.133 -11.728 3.676 1.00 0.00 C ATOM 1013 O THR A 69 0.359 -11.197 4.763 1.00 0.00 O ATOM 1014 CB THR A 69 -0.478 -14.209 3.776 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.675 -14.024 5.175 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.047 -15.642 3.660 1.00 0.00 C ATOM 0 H THR A 69 1.745 -14.327 4.703 1.00 0.00 H new ATOM 0 HA THR A 69 0.752 -13.223 2.332 1.00 0.00 H new ATOM 0 HB THR A 69 -1.348 -14.088 3.130 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.347 -14.660 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.743 -16.342 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.362 -15.832 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.896 -15.774 4.330 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.493 -11.137 2.669 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.972 -9.770 2.783 1.00 0.00 C ATOM 1026 C ALA A 70 -1.787 -9.626 4.070 1.00 0.00 C ATOM 1027 O ALA A 70 -1.553 -8.710 4.857 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.782 -9.407 1.537 1.00 0.00 C ATOM 0 H ALA A 70 -0.680 -11.580 1.770 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.135 -9.074 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.141 -8.381 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.150 -9.498 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.632 -10.083 1.446 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.725 -10.545 4.245 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.576 -10.532 5.423 1.00 0.00 C ATOM 1036 C GLY A 71 -2.739 -10.559 6.703 1.00 0.00 C ATOM 1037 O GLY A 71 -3.217 -10.175 7.770 1.00 0.00 O ATOM 0 H GLY A 71 -2.915 -11.304 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.203 -9.641 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.244 -11.393 5.403 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.504 -11.017 6.556 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.596 -11.099 7.687 1.00 0.00 C ATOM 1043 C ASN A 72 0.268 -9.837 7.735 1.00 0.00 C ATOM 1044 O ASN A 72 0.886 -9.543 8.757 1.00 0.00 O ATOM 1045 CB ASN A 72 0.336 -12.306 7.559 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.261 -13.535 8.246 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.423 -13.568 8.617 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.596 -14.541 8.395 1.00 0.00 N ATOM 0 H ASN A 72 -1.111 -11.335 5.670 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.194 -11.200 8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.512 -12.524 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.304 -12.071 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.294 -15.406 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.555 -14.447 8.061 1.00 0.00 H new ATOM 1055 N VAL A 73 0.283 -9.126 6.617 1.00 0.00 N ATOM 1056 CA VAL A 73 1.061 -7.903 6.519 1.00 0.00 C ATOM 1057 C VAL A 73 0.169 -6.708 6.863 1.00 0.00 C ATOM 1058 O VAL A 73 0.569 -5.829 7.625 1.00 0.00 O ATOM 1059 CB VAL A 73 1.695 -7.796 5.131 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.391 -6.446 4.949 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.666 -8.952 4.881 1.00 0.00 C ATOM 0 H VAL A 73 -0.231 -9.374 5.772 1.00 0.00 H new ATOM 0 HA VAL A 73 1.882 -7.913 7.236 1.00 0.00 H new ATOM 0 HB VAL A 73 0.897 -7.864 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.833 -6.396 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.663 -5.643 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.173 -6.336 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.103 -8.852 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.458 -8.930 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.130 -9.899 4.948 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.023 -6.713 6.284 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.974 -5.641 6.519 1.00 0.00 C ATOM 1073 C PHE A 74 -2.525 -5.699 7.945 1.00 0.00 C ATOM 1074 O PHE A 74 -3.160 -4.753 8.408 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.126 -5.840 5.531 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.366 -6.492 6.145 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.267 -7.709 6.745 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.566 -5.856 6.092 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.418 -8.315 7.315 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.717 -6.462 6.662 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.619 -7.678 7.261 1.00 0.00 C ATOM 0 H PHE A 74 -1.352 -7.443 5.652 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.486 -4.675 6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.405 -4.872 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.778 -6.455 4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.313 -8.214 6.788 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.644 -4.890 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.340 -9.281 7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.670 -5.956 6.619 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.495 -8.139 7.694 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.260 -6.819 8.602 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.722 -7.013 9.966 1.00 0.00 C ATOM 1093 C LEU A 75 -1.638 -6.542 10.938 1.00 0.00 C ATOM 1094 O LEU A 75 -1.928 -5.830 11.898 1.00 0.00 O ATOM 1095 CB LEU A 75 -3.154 -8.464 10.184 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.890 -8.756 11.493 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.405 -8.697 11.296 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -3.441 -10.092 12.089 1.00 0.00 C ATOM 0 H LEU A 75 -1.731 -7.601 8.215 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.608 -6.408 10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.797 -8.759 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.267 -9.097 10.140 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.629 -7.979 12.211 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.903 -8.908 12.242 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.689 -7.703 10.951 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.705 -9.438 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.980 -10.275 13.019 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.653 -10.895 11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.370 -10.059 12.290 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.412 -6.958 10.655 1.00 0.00 N ATOM 1111 CA LYS A 76 0.716 -6.587 11.492 1.00 0.00 C ATOM 1112 C LYS A 76 1.046 -5.109 11.270 1.00 0.00 C ATOM 1113 O LYS A 76 1.583 -4.450 12.159 1.00 0.00 O ATOM 1114 CB LYS A 76 1.898 -7.525 11.244 1.00 0.00 C ATOM 1115 CG LYS A 76 2.587 -7.201 9.917 1.00 0.00 C ATOM 1116 CD LYS A 76 4.103 -7.100 10.095 1.00 0.00 C ATOM 1117 CE LYS A 76 4.641 -8.287 10.897 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.321 -7.817 12.125 1.00 0.00 N ATOM 0 H LYS A 76 -0.175 -7.548 9.858 1.00 0.00 H new ATOM 0 HA LYS A 76 0.463 -6.703 12.546 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.614 -7.437 12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.551 -8.558 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.354 -7.974 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.200 -6.261 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.586 -7.067 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.352 -6.169 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.822 -8.956 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.337 -8.861 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.958 -8.561 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.872 -6.961 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.611 -7.598 12.853 1.00 0.00 H new ATOM 1132 N HIS A 77 0.711 -4.633 10.080 1.00 0.00 N ATOM 1133 CA HIS A 77 0.965 -3.246 9.730 1.00 0.00 C ATOM 1134 C HIS A 77 -0.336 -2.447 9.822 1.00 0.00 C ATOM 1135 O HIS A 77 -0.379 -1.395 10.459 1.00 0.00 O ATOM 1136 CB HIS A 77 1.627 -3.145 8.355 1.00 0.00 C ATOM 1137 CG HIS A 77 3.000 -3.769 8.287 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.142 -3.119 8.723 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.403 -4.990 7.830 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.179 -3.921 8.532 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.719 -5.080 7.978 1.00 0.00 N ATOM 0 H HIS A 77 0.266 -5.183 9.346 1.00 0.00 H new ATOM 0 HA HIS A 77 1.669 -2.811 10.440 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.984 -3.625 7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.703 -2.094 8.076 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.760 -5.754 7.418 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.208 -3.697 8.773 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.292 -5.883 7.720 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.365 -2.976 9.177 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.664 -2.326 9.178 1.00 0.00 C ATOM 1151 C GLY A 78 -3.224 -2.217 7.759 1.00 0.00 C ATOM 1152 O GLY A 78 -2.696 -2.828 6.831 1.00 0.00 O ATOM 0 H GLY A 78 -1.325 -3.848 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.356 -2.890 9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.577 -1.332 9.616 1.00 0.00 H new ATOM 1156 N SER A 79 -4.286 -1.434 7.634 1.00 0.00 N ATOM 1157 CA SER A 79 -4.923 -1.237 6.343 1.00 0.00 C ATOM 1158 C SER A 79 -4.661 0.185 5.841 1.00 0.00 C ATOM 1159 O SER A 79 -4.580 0.416 4.636 1.00 0.00 O ATOM 1160 CB SER A 79 -6.427 -1.502 6.425 1.00 0.00 C ATOM 1161 OG SER A 79 -7.121 -0.441 7.076 1.00 0.00 O ATOM 0 H SER A 79 -4.721 -0.929 8.406 1.00 0.00 H new ATOM 0 HA SER A 79 -4.494 -1.949 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.827 -1.634 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.602 -2.434 6.963 1.00 0.00 H new ATOM 0 HG SER A 79 -8.079 -0.647 7.107 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.536 1.100 6.792 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.285 2.492 6.461 1.00 0.00 C ATOM 1169 C GLU A 80 -2.789 2.722 6.232 1.00 0.00 C ATOM 1170 O GLU A 80 -2.010 2.756 7.183 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.821 3.420 7.553 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.351 3.428 7.563 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.889 4.725 8.172 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.048 4.746 9.411 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.128 5.665 7.384 1.00 0.00 O ATOM 0 H GLU A 80 -4.604 0.904 7.791 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.814 2.727 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.449 3.096 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.449 4.432 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.725 3.317 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.719 2.575 8.133 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.434 2.874 4.965 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.046 3.100 4.599 1.00 0.00 C ATOM 1184 C LEU A 81 -0.982 4.128 3.468 1.00 0.00 C ATOM 1185 O LEU A 81 -1.992 4.413 2.826 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.358 1.775 4.265 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.797 0.564 5.091 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.658 -0.729 4.285 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.034 0.499 6.416 1.00 0.00 C ATOM 0 H LEU A 81 -3.083 2.845 4.179 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.493 3.517 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.532 1.554 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.717 1.905 4.390 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.853 0.680 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.977 -1.574 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.281 -0.670 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.383 -0.865 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.365 -0.371 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.035 0.417 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.228 1.404 6.992 1.00 0.00 H new ATOM 1201 N ARG A 82 0.215 4.657 3.259 1.00 0.00 N ATOM 1202 CA ARG A 82 0.423 5.647 2.216 1.00 0.00 C ATOM 1203 C ARG A 82 1.364 5.097 1.142 1.00 0.00 C ATOM 1204 O ARG A 82 2.375 4.472 1.459 1.00 0.00 O ATOM 1205 CB ARG A 82 1.014 6.936 2.791 1.00 0.00 C ATOM 1206 CG ARG A 82 0.081 7.548 3.838 1.00 0.00 C ATOM 1207 CD ARG A 82 0.853 7.930 5.103 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.093 8.236 6.199 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.756 9.395 6.318 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.580 10.364 5.409 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.594 9.585 7.346 1.00 0.00 N ATOM 0 H ARG A 82 1.050 4.419 3.794 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.547 5.871 1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.984 6.726 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.184 7.652 1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.406 8.431 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.706 6.837 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.512 7.113 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.486 8.795 4.906 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.250 7.520 6.908 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.058 10.220 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.084 11.246 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.727 8.848 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.098 10.467 7.436 1.00 0.00 H new ATOM 1225 N ILE A 83 0.998 5.350 -0.106 1.00 0.00 N ATOM 1226 CA ILE A 83 1.797 4.888 -1.228 1.00 0.00 C ATOM 1227 C ILE A 83 2.677 6.036 -1.729 1.00 0.00 C ATOM 1228 O ILE A 83 2.172 7.020 -2.267 1.00 0.00 O ATOM 1229 CB ILE A 83 0.901 4.283 -2.310 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.677 3.281 -3.168 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.248 5.377 -3.157 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.740 2.524 -4.110 1.00 0.00 C ATOM 0 H ILE A 83 0.159 5.869 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 83 2.466 4.086 -0.915 1.00 0.00 H new ATOM 0 HB ILE A 83 0.098 3.733 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.436 3.805 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.200 2.574 -2.524 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.384 4.919 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.360 6.017 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.022 5.975 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.317 1.819 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.003 1.981 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.237 3.232 -4.769 1.00 0.00 H new ATOM 1244 N ILE A 84 3.977 5.871 -1.534 1.00 0.00 N ATOM 1245 CA ILE A 84 4.931 6.880 -1.959 1.00 0.00 C ATOM 1246 C ILE A 84 5.928 6.255 -2.937 1.00 0.00 C ATOM 1247 O ILE A 84 6.129 5.041 -2.933 1.00 0.00 O ATOM 1248 CB ILE A 84 5.591 7.539 -0.746 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.600 6.593 -0.090 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.540 8.034 0.249 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.024 6.900 -0.559 1.00 0.00 C ATOM 0 H ILE A 84 4.392 5.053 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 84 4.422 7.683 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 84 6.144 8.412 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.542 6.688 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.348 5.561 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.036 8.498 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.894 8.765 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.939 7.192 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.721 6.214 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.085 6.780 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.282 7.925 -0.293 1.00 0.00 H new ATOM 1263 N PRO A 85 6.541 7.134 -3.774 1.00 0.00 N ATOM 1264 CA PRO A 85 7.512 6.680 -4.755 1.00 0.00 C ATOM 1265 C PRO A 85 8.844 6.332 -4.089 1.00 0.00 C ATOM 1266 O PRO A 85 9.447 7.171 -3.422 1.00 0.00 O ATOM 1267 CB PRO A 85 7.627 7.822 -5.752 1.00 0.00 C ATOM 1268 CG PRO A 85 7.074 9.049 -5.046 1.00 0.00 C ATOM 1269 CD PRO A 85 6.328 8.578 -3.808 1.00 0.00 C ATOM 0 HA PRO A 85 7.206 5.761 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.664 7.977 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.063 7.606 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.882 9.727 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.406 9.601 -5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.713 9.056 -2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.267 8.820 -3.869 1.00 0.00 H new ATOM 1277 N ARG A 86 9.264 5.092 -4.292 1.00 0.00 N ATOM 1278 CA ARG A 86 10.514 4.622 -3.719 1.00 0.00 C ATOM 1279 C ARG A 86 11.659 5.563 -4.098 1.00 0.00 C ATOM 1280 O ARG A 86 11.551 6.321 -5.061 1.00 0.00 O ATOM 1281 CB ARG A 86 10.844 3.208 -4.201 1.00 0.00 C ATOM 1282 CG ARG A 86 11.184 3.203 -5.693 1.00 0.00 C ATOM 1283 CD ARG A 86 11.162 1.780 -6.255 1.00 0.00 C ATOM 1284 NE ARG A 86 12.259 1.605 -7.233 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.595 0.431 -7.783 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.920 -0.680 -7.456 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.605 0.367 -8.662 1.00 0.00 N ATOM 0 H ARG A 86 8.761 4.398 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 86 10.396 4.606 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.685 2.813 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.996 2.549 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.470 3.823 -6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.169 3.643 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.268 1.059 -5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.202 1.584 -6.733 1.00 0.00 H new ATOM 0 HE ARG A 86 12.793 2.430 -7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.150 -0.631 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.176 -1.574 -7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.118 1.213 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.861 -0.527 -9.081 1.00 0.00 H new