USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -0.866 K(o=-0.37,f=-2.8!) USER MOD Set 1.2: A 71 CYS SG : rot -87:sc= 0.497 USER MOD Set 2.1: A 63 GLN : amide:sc= -2.81 K(o=-2.2,f=-9.9!) USER MOD Set 2.2: A 70 TYR OH : rot -76:sc= 0.608 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= -0.032 USER MOD Set 3.2: A 14 SER OG : rot -110:sc= -4.54! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 140:sc= -0.202 USER MOD Single : A 9 THR OG1 : rot 150:sc= -0.204 USER MOD Single : A 10 SER OG : rot 46:sc= 0.00287 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.6!) USER MOD Single : A 21 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.67) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -106:sc= 1.26 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0831 (180deg=-0.522) USER MOD Single : A 34 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.063) USER MOD Single : A 35 TYR OH : rot 60:sc= -0.929! USER MOD Single : A 36 GLN : amide:sc= -0.788 K(o=-0.79,f=-3.7!) USER MOD Single : A 41 SER OG : rot -120:sc= 0.123 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0891 K(o=-0.089,f=-0.83) USER MOD Single : A 50 MET CE :methyl 171:sc= -2.71 (180deg=-2.82!) USER MOD Single : A 56 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.0099) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0231) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 87 GLN : amide:sc=-0.00831 X(o=-0.0083,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 10.204 0.331 -1.694 1.00 0.00 N ATOM 39 CA LEU A 4 8.749 0.282 -1.768 1.00 0.00 C ATOM 40 C LEU A 4 8.118 1.112 -0.655 1.00 0.00 C ATOM 41 O LEU A 4 8.488 0.986 0.513 1.00 0.00 O ATOM 42 CB LEU A 4 8.261 -1.166 -1.679 1.00 0.00 C ATOM 43 CG LEU A 4 6.971 -1.464 -2.446 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.991 -2.882 -2.994 1.00 0.00 C ATOM 45 CD2 LEU A 4 5.760 -1.254 -1.550 1.00 0.00 C ATOM 0 HA LEU A 4 8.445 0.703 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.047 -1.822 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.108 -1.418 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 4 6.902 -0.773 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.066 -3.076 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.839 -2.999 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.083 -3.589 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.851 -1.470 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.823 -1.921 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.737 -0.220 -1.206 1.00 0.00 H new ATOM 57 N ARG A 5 7.165 1.962 -1.024 1.00 0.00 N ATOM 58 CA ARG A 5 6.483 2.814 -0.057 1.00 0.00 C ATOM 59 C ARG A 5 4.973 2.611 -0.122 1.00 0.00 C ATOM 60 O ARG A 5 4.317 3.061 -1.062 1.00 0.00 O ATOM 61 CB ARG A 5 6.822 4.284 -0.311 1.00 0.00 C ATOM 62 CG ARG A 5 6.450 4.762 -1.705 1.00 0.00 C ATOM 63 CD ARG A 5 7.249 5.993 -2.102 1.00 0.00 C ATOM 64 NE ARG A 5 6.684 7.217 -1.540 1.00 0.00 N ATOM 65 CZ ARG A 5 7.001 8.440 -1.958 1.00 0.00 C ATOM 66 NH1 ARG A 5 7.878 8.607 -2.940 1.00 0.00 N ATOM 67 NH2 ARG A 5 6.440 9.500 -1.391 1.00 0.00 N ATOM 0 H ARG A 5 6.848 2.079 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 5 6.827 2.536 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.305 4.900 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.891 4.433 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.628 3.963 -2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.385 4.991 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.279 5.881 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.277 6.072 -3.189 1.00 0.00 H new ATOM 0 HE ARG A 5 6.007 7.129 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.313 7.795 -3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.117 9.547 -3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.766 9.377 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.683 10.438 -1.711 1.00 0.00 H new ATOM 81 N VAL A 6 4.428 1.934 0.882 1.00 0.00 N ATOM 82 CA VAL A 6 2.994 1.675 0.937 1.00 0.00 C ATOM 83 C VAL A 6 2.274 2.759 1.731 1.00 0.00 C ATOM 84 O VAL A 6 2.730 3.166 2.800 1.00 0.00 O ATOM 85 CB VAL A 6 2.692 0.305 1.571 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.221 -0.045 1.410 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.574 -0.774 0.960 1.00 0.00 C ATOM 0 H VAL A 6 4.956 1.555 1.668 1.00 0.00 H new ATOM 0 HA VAL A 6 2.632 1.676 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 6 2.914 0.362 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.026 -1.017 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.611 0.714 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.970 -0.083 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.346 -1.735 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.387 -0.833 -0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.622 -0.529 1.133 1.00 0.00 H new ATOM 97 N TYR A 7 1.147 3.224 1.202 1.00 0.00 N ATOM 98 CA TYR A 7 0.367 4.262 1.864 1.00 0.00 C ATOM 99 C TYR A 7 -0.696 3.653 2.770 1.00 0.00 C ATOM 100 O TYR A 7 -1.238 2.587 2.481 1.00 0.00 O ATOM 101 CB TYR A 7 -0.291 5.177 0.828 1.00 0.00 C ATOM 102 CG TYR A 7 0.660 6.181 0.215 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.873 7.417 0.811 1.00 0.00 C ATOM 104 CD2 TYR A 7 1.344 5.892 -0.959 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.741 8.338 0.254 1.00 0.00 C ATOM 106 CE2 TYR A 7 2.213 6.807 -1.522 1.00 0.00 C ATOM 107 CZ TYR A 7 2.408 8.028 -0.912 1.00 0.00 C ATOM 108 OH TYR A 7 3.273 8.941 -1.469 1.00 0.00 O ATOM 0 H TYR A 7 0.754 2.899 0.318 1.00 0.00 H new ATOM 0 HA TYR A 7 1.046 4.852 2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.720 4.564 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.116 5.711 1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.352 7.663 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.194 4.937 -1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.896 9.295 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.737 6.567 -2.435 1.00 0.00 H new ATOM 0 HH TYR A 7 3.662 8.567 -2.287 1.00 0.00 H new ATOM 118 N SER A 8 -0.986 4.340 3.869 1.00 0.00 N ATOM 119 CA SER A 8 -1.984 3.870 4.823 1.00 0.00 C ATOM 120 C SER A 8 -2.520 5.023 5.664 1.00 0.00 C ATOM 121 O SER A 8 -2.021 6.146 5.585 1.00 0.00 O ATOM 122 CB SER A 8 -1.383 2.796 5.732 1.00 0.00 C ATOM 123 OG SER A 8 -2.330 1.780 6.017 1.00 0.00 O ATOM 0 H SER A 8 -0.544 5.224 4.122 1.00 0.00 H new ATOM 0 HA SER A 8 -2.813 3.440 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.508 2.358 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.042 3.251 6.662 1.00 0.00 H new ATOM 0 HG SER A 8 -1.887 0.906 5.999 1.00 0.00 H new ATOM 129 N THR A 9 -3.538 4.739 6.469 1.00 0.00 N ATOM 130 CA THR A 9 -4.141 5.752 7.326 1.00 0.00 C ATOM 131 C THR A 9 -3.969 5.391 8.797 1.00 0.00 C ATOM 132 O THR A 9 -4.695 4.552 9.330 1.00 0.00 O ATOM 133 CB THR A 9 -5.626 5.910 6.996 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.281 6.685 7.986 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.359 4.591 6.886 1.00 0.00 C ATOM 0 H THR A 9 -3.963 3.815 6.546 1.00 0.00 H new ATOM 0 HA THR A 9 -3.633 6.699 7.142 1.00 0.00 H new ATOM 0 HB THR A 9 -5.654 6.404 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.028 7.172 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.407 4.776 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.910 3.990 6.095 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.289 4.056 7.833 1.00 0.00 H new ATOM 143 N SER A 10 -3.002 6.030 9.449 1.00 0.00 N ATOM 144 CA SER A 10 -2.733 5.775 10.861 1.00 0.00 C ATOM 145 C SER A 10 -3.980 6.011 11.707 1.00 0.00 C ATOM 146 O SER A 10 -4.173 5.367 12.739 1.00 0.00 O ATOM 147 CB SER A 10 -1.593 6.669 11.353 1.00 0.00 C ATOM 148 OG SER A 10 -0.341 6.018 11.221 1.00 0.00 O ATOM 0 H SER A 10 -2.392 6.728 9.023 1.00 0.00 H new ATOM 0 HA SER A 10 -2.439 4.730 10.965 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.585 7.599 10.784 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.760 6.935 12.397 1.00 0.00 H new ATOM 0 HG SER A 10 -0.280 5.603 10.335 1.00 0.00 H new ATOM 154 N VAL A 11 -4.825 6.936 11.264 1.00 0.00 N ATOM 155 CA VAL A 11 -6.053 7.255 11.981 1.00 0.00 C ATOM 156 C VAL A 11 -7.236 7.359 11.024 1.00 0.00 C ATOM 157 O VAL A 11 -7.259 8.216 10.141 1.00 0.00 O ATOM 158 CB VAL A 11 -5.923 8.577 12.762 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.129 8.786 13.665 1.00 0.00 C ATOM 160 CG2 VAL A 11 -4.634 8.594 13.570 1.00 0.00 C ATOM 0 H VAL A 11 -4.681 7.478 10.412 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.227 6.442 12.686 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.888 9.398 12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.019 9.725 14.208 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.035 8.821 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.199 7.962 14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.559 9.535 14.115 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.637 7.764 14.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.782 8.495 12.898 1.00 0.00 H new ATOM 170 N THR A 12 -8.216 6.480 11.205 1.00 0.00 N ATOM 171 CA THR A 12 -9.402 6.473 10.356 1.00 0.00 C ATOM 172 C THR A 12 -10.659 6.209 11.178 1.00 0.00 C ATOM 173 O THR A 12 -10.589 5.664 12.279 1.00 0.00 O ATOM 174 CB THR A 12 -9.264 5.415 9.261 1.00 0.00 C ATOM 175 OG1 THR A 12 -10.396 5.423 8.410 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.106 4.010 9.803 1.00 0.00 C ATOM 0 H THR A 12 -8.213 5.764 11.931 1.00 0.00 H new ATOM 0 HA THR A 12 -9.492 7.456 9.893 1.00 0.00 H new ATOM 0 HB THR A 12 -8.359 5.680 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.288 4.740 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.013 3.308 8.974 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.212 3.958 10.424 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.979 3.751 10.402 1.00 0.00 H new ATOM 184 N GLY A 13 -11.807 6.600 10.635 1.00 0.00 N ATOM 185 CA GLY A 13 -13.065 6.397 11.331 1.00 0.00 C ATOM 186 C GLY A 13 -13.981 5.433 10.603 1.00 0.00 C ATOM 187 O GLY A 13 -15.204 5.524 10.715 1.00 0.00 O ATOM 0 H GLY A 13 -11.889 7.054 9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.865 6.017 12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.571 7.355 11.448 1.00 0.00 H new ATOM 191 N SER A 14 -13.389 4.507 9.856 1.00 0.00 N ATOM 192 CA SER A 14 -14.159 3.521 9.107 1.00 0.00 C ATOM 193 C SER A 14 -13.991 2.129 9.706 1.00 0.00 C ATOM 194 O SER A 14 -13.117 1.905 10.543 1.00 0.00 O ATOM 195 CB SER A 14 -13.726 3.513 7.640 1.00 0.00 C ATOM 196 OG SER A 14 -13.357 4.812 7.209 1.00 0.00 O ATOM 0 H SER A 14 -12.378 4.419 9.753 1.00 0.00 H new ATOM 0 HA SER A 14 -15.212 3.797 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.886 2.831 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.540 3.138 7.020 1.00 0.00 H new ATOM 0 HG SER A 14 -14.026 5.150 6.578 1.00 0.00 H new ATOM 202 N ARG A 15 -14.834 1.197 9.273 1.00 0.00 N ATOM 203 CA ARG A 15 -14.778 -0.176 9.769 1.00 0.00 C ATOM 204 C ARG A 15 -14.318 -1.141 8.691 1.00 0.00 C ATOM 205 O ARG A 15 -13.949 -2.283 8.965 1.00 0.00 O ATOM 206 CB ARG A 15 -16.144 -0.603 10.298 1.00 0.00 C ATOM 207 CG ARG A 15 -16.574 0.142 11.550 1.00 0.00 C ATOM 208 CD ARG A 15 -17.449 1.339 11.214 1.00 0.00 C ATOM 209 NE ARG A 15 -17.731 2.159 12.390 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.552 1.791 13.370 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.174 0.619 13.320 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.752 2.596 14.404 1.00 0.00 N ATOM 0 H ARG A 15 -15.564 1.366 8.581 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.050 -0.204 10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.890 -0.447 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.123 -1.672 10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.119 -0.535 12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.692 0.477 12.096 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -16.955 1.948 10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.387 0.992 10.781 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.272 3.067 12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.024 -0.005 12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.802 0.342 14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.276 3.497 14.448 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.381 2.314 15.156 1.00 0.00 H new ATOM 226 N GLU A 16 -14.341 -0.659 7.473 1.00 0.00 N ATOM 227 CA GLU A 16 -13.927 -1.443 6.316 1.00 0.00 C ATOM 228 C GLU A 16 -12.509 -1.072 5.898 1.00 0.00 C ATOM 229 O GLU A 16 -11.748 -1.915 5.425 1.00 0.00 O ATOM 230 CB GLU A 16 -14.891 -1.221 5.149 1.00 0.00 C ATOM 231 CG GLU A 16 -16.356 -1.244 5.556 1.00 0.00 C ATOM 232 CD GLU A 16 -17.290 -1.319 4.364 1.00 0.00 C ATOM 233 OE1 GLU A 16 -17.041 -0.609 3.368 1.00 0.00 O ATOM 234 OE2 GLU A 16 -18.272 -2.088 4.428 1.00 0.00 O ATOM 0 H GLU A 16 -14.646 0.288 7.247 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.945 -2.497 6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.668 -0.262 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.720 -1.990 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.535 -2.099 6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.583 -0.349 6.135 1.00 0.00 H new ATOM 241 N ILE A 17 -12.165 0.199 6.078 1.00 0.00 N ATOM 242 CA ILE A 17 -10.841 0.693 5.723 1.00 0.00 C ATOM 243 C ILE A 17 -9.774 0.120 6.651 1.00 0.00 C ATOM 244 O ILE A 17 -8.640 -0.120 6.236 1.00 0.00 O ATOM 245 CB ILE A 17 -10.789 2.233 5.779 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.879 2.833 4.890 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.416 2.738 5.357 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.917 4.346 4.916 1.00 0.00 C ATOM 0 H ILE A 17 -12.787 0.907 6.469 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.639 0.367 4.703 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.967 2.549 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.724 2.499 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.848 2.448 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.399 3.827 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.658 2.335 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.207 2.415 4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.714 4.701 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.103 4.688 5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.961 4.740 4.570 1.00 0.00 H new ATOM 260 N LYS A 18 -10.146 -0.098 7.908 1.00 0.00 N ATOM 261 CA LYS A 18 -9.221 -0.643 8.895 1.00 0.00 C ATOM 262 C LYS A 18 -8.801 -2.061 8.522 1.00 0.00 C ATOM 263 O LYS A 18 -7.688 -2.490 8.824 1.00 0.00 O ATOM 264 CB LYS A 18 -9.863 -0.636 10.284 1.00 0.00 C ATOM 265 CG LYS A 18 -9.557 0.616 11.089 1.00 0.00 C ATOM 266 CD LYS A 18 -10.602 0.854 12.167 1.00 0.00 C ATOM 267 CE LYS A 18 -9.967 1.333 13.463 1.00 0.00 C ATOM 268 NZ LYS A 18 -9.244 2.622 13.284 1.00 0.00 N ATOM 0 H LYS A 18 -11.081 0.094 8.267 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.332 -0.013 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.943 -0.734 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.518 -1.508 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.573 0.523 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.517 1.478 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.323 1.593 11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.154 -0.068 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.739 1.452 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.274 0.576 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.883 2.948 14.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.448 2.486 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.895 3.334 12.895 1.00 0.00 H new ATOM 282 N SER A 19 -9.701 -2.785 7.863 1.00 0.00 N ATOM 283 CA SER A 19 -9.424 -4.156 7.449 1.00 0.00 C ATOM 284 C SER A 19 -8.464 -4.186 6.264 1.00 0.00 C ATOM 285 O SER A 19 -7.702 -5.138 6.094 1.00 0.00 O ATOM 286 CB SER A 19 -10.725 -4.872 7.083 1.00 0.00 C ATOM 287 OG SER A 19 -10.556 -6.279 7.101 1.00 0.00 O ATOM 0 H SER A 19 -10.627 -2.445 7.605 1.00 0.00 H new ATOM 0 HA SER A 19 -8.954 -4.673 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.510 -4.588 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.052 -4.555 6.093 1.00 0.00 H new ATOM 0 HG SER A 19 -11.402 -6.713 6.865 1.00 0.00 H new ATOM 293 N GLN A 20 -8.505 -3.138 5.447 1.00 0.00 N ATOM 294 CA GLN A 20 -7.637 -3.048 4.278 1.00 0.00 C ATOM 295 C GLN A 20 -6.174 -2.932 4.693 1.00 0.00 C ATOM 296 O GLN A 20 -5.358 -3.798 4.376 1.00 0.00 O ATOM 297 CB GLN A 20 -8.030 -1.847 3.413 1.00 0.00 C ATOM 298 CG GLN A 20 -9.530 -1.700 3.215 1.00 0.00 C ATOM 299 CD GLN A 20 -10.186 -2.980 2.735 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.515 -3.894 2.256 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.506 -3.052 2.861 1.00 0.00 N ATOM 0 H GLN A 20 -9.129 -2.341 5.573 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.760 -3.962 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.642 -0.938 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.551 -1.941 2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.988 -1.393 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.721 -0.906 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.023 -2.271 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.003 -3.889 2.555 1.00 0.00 H new ATOM 310 N GLN A 21 -5.850 -1.857 5.404 1.00 0.00 N ATOM 311 CA GLN A 21 -4.485 -1.627 5.863 1.00 0.00 C ATOM 312 C GLN A 21 -4.010 -2.766 6.760 1.00 0.00 C ATOM 313 O GLN A 21 -2.820 -3.077 6.808 1.00 0.00 O ATOM 314 CB GLN A 21 -4.396 -0.299 6.617 1.00 0.00 C ATOM 315 CG GLN A 21 -5.455 -0.140 7.695 1.00 0.00 C ATOM 316 CD GLN A 21 -5.091 0.919 8.717 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.941 1.018 9.144 1.00 0.00 O ATOM 318 NE2 GLN A 21 -6.074 1.719 9.115 1.00 0.00 N ATOM 0 H GLN A 21 -6.514 -1.132 5.675 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.837 -1.586 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.410 -0.215 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.489 0.521 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.406 0.121 7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.599 -1.094 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.013 1.601 8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.890 2.451 9.801 1.00 0.00 H new ATOM 327 N SER A 22 -4.948 -3.385 7.470 1.00 0.00 N ATOM 328 CA SER A 22 -4.625 -4.489 8.366 1.00 0.00 C ATOM 329 C SER A 22 -4.164 -5.713 7.580 1.00 0.00 C ATOM 330 O SER A 22 -3.086 -6.252 7.829 1.00 0.00 O ATOM 331 CB SER A 22 -5.838 -4.849 9.225 1.00 0.00 C ATOM 332 OG SER A 22 -5.492 -5.786 10.230 1.00 0.00 O ATOM 0 H SER A 22 -5.938 -3.141 7.442 1.00 0.00 H new ATOM 0 HA SER A 22 -3.810 -4.168 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.241 -3.948 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.625 -5.262 8.594 1.00 0.00 H new ATOM 0 HG SER A 22 -6.284 -5.998 10.766 1.00 0.00 H new ATOM 338 N GLU A 23 -4.989 -6.147 6.633 1.00 0.00 N ATOM 339 CA GLU A 23 -4.668 -7.309 5.812 1.00 0.00 C ATOM 340 C GLU A 23 -3.357 -7.103 5.059 1.00 0.00 C ATOM 341 O GLU A 23 -2.490 -7.977 5.052 1.00 0.00 O ATOM 342 CB GLU A 23 -5.799 -7.587 4.821 1.00 0.00 C ATOM 343 CG GLU A 23 -6.034 -9.067 4.565 1.00 0.00 C ATOM 344 CD GLU A 23 -6.299 -9.844 5.839 1.00 0.00 C ATOM 345 OE1 GLU A 23 -7.127 -9.385 6.654 1.00 0.00 O ATOM 346 OE2 GLU A 23 -5.678 -10.912 6.023 1.00 0.00 O ATOM 0 H GLU A 23 -5.885 -5.711 6.415 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.553 -8.167 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.719 -7.142 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.571 -7.095 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.881 -9.185 3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.163 -9.488 4.062 1.00 0.00 H new ATOM 353 N VAL A 24 -3.219 -5.942 4.427 1.00 0.00 N ATOM 354 CA VAL A 24 -2.013 -5.623 3.671 1.00 0.00 C ATOM 355 C VAL A 24 -0.772 -5.704 4.554 1.00 0.00 C ATOM 356 O VAL A 24 0.229 -6.316 4.180 1.00 0.00 O ATOM 357 CB VAL A 24 -2.095 -4.215 3.049 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.919 -3.972 2.114 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.418 -4.027 2.319 1.00 0.00 C ATOM 0 H VAL A 24 -3.926 -5.207 4.423 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.937 -6.361 2.873 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.045 -3.481 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.995 -2.973 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.013 -4.057 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.931 -4.712 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.456 -3.027 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.504 -4.769 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.242 -4.151 3.022 1.00 0.00 H new ATOM 369 N THR A 25 -0.844 -5.082 5.726 1.00 0.00 N ATOM 370 CA THR A 25 0.273 -5.084 6.663 1.00 0.00 C ATOM 371 C THR A 25 0.464 -6.465 7.283 1.00 0.00 C ATOM 372 O THR A 25 1.573 -6.832 7.673 1.00 0.00 O ATOM 373 CB THR A 25 0.046 -4.046 7.762 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.219 -4.230 8.372 1.00 0.00 O ATOM 375 CG2 THR A 25 0.110 -2.619 7.261 1.00 0.00 C ATOM 0 H THR A 25 -1.665 -4.570 6.050 1.00 0.00 H new ATOM 0 HA THR A 25 1.177 -4.827 6.111 1.00 0.00 H new ATOM 0 HB THR A 25 0.855 -4.200 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.832 -3.526 8.074 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.060 -1.934 8.092 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.092 -2.429 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.657 -2.465 6.502 1.00 0.00 H new ATOM 383 N ARG A 26 -0.622 -7.226 7.373 1.00 0.00 N ATOM 384 CA ARG A 26 -0.572 -8.567 7.949 1.00 0.00 C ATOM 385 C ARG A 26 0.438 -9.441 7.212 1.00 0.00 C ATOM 386 O ARG A 26 1.293 -10.074 7.831 1.00 0.00 O ATOM 387 CB ARG A 26 -1.956 -9.217 7.902 1.00 0.00 C ATOM 388 CG ARG A 26 -2.190 -10.228 9.013 1.00 0.00 C ATOM 389 CD ARG A 26 -3.381 -9.846 9.879 1.00 0.00 C ATOM 390 NE ARG A 26 -3.143 -10.127 11.292 1.00 0.00 N ATOM 391 CZ ARG A 26 -4.047 -9.935 12.250 1.00 0.00 C ATOM 392 NH1 ARG A 26 -5.251 -9.463 11.950 1.00 0.00 N ATOM 393 NH2 ARG A 26 -3.748 -10.216 13.510 1.00 0.00 N ATOM 0 H ARG A 26 -1.547 -6.938 7.055 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.255 -8.476 8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.716 -8.439 7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.084 -9.711 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.357 -11.214 8.579 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.297 -10.300 9.634 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.596 -8.785 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.263 -10.393 9.544 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.229 -10.492 11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.487 -9.246 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.940 -9.318 12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.825 -10.580 13.746 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.441 -10.069 14.244 1.00 0.00 H new ATOM 407 N ILE A 27 0.334 -9.471 5.887 1.00 0.00 N ATOM 408 CA ILE A 27 1.239 -10.268 5.068 1.00 0.00 C ATOM 409 C ILE A 27 2.642 -9.669 5.061 1.00 0.00 C ATOM 410 O ILE A 27 3.636 -10.389 5.146 1.00 0.00 O ATOM 411 CB ILE A 27 0.733 -10.383 3.617 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.725 -10.844 3.596 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.608 -11.342 2.822 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.350 -10.810 2.218 1.00 0.00 C ATOM 0 H ILE A 27 -0.368 -8.953 5.358 1.00 0.00 H new ATOM 0 HA ILE A 27 1.273 -11.264 5.510 1.00 0.00 H new ATOM 0 HB ILE A 27 0.791 -9.399 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.782 -11.860 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.307 -10.211 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.236 -11.411 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.634 -10.974 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.581 -12.328 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.384 -11.150 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.325 -9.791 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.792 -11.465 1.549 1.00 0.00 H new ATOM 426 N LEU A 28 2.713 -8.346 4.959 1.00 0.00 N ATOM 427 CA LEU A 28 3.994 -7.648 4.941 1.00 0.00 C ATOM 428 C LEU A 28 4.744 -7.854 6.253 1.00 0.00 C ATOM 429 O LEU A 28 5.939 -8.152 6.258 1.00 0.00 O ATOM 430 CB LEU A 28 3.779 -6.155 4.691 1.00 0.00 C ATOM 431 CG LEU A 28 3.183 -5.806 3.325 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.510 -4.443 3.368 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.259 -5.838 2.251 1.00 0.00 C ATOM 0 H LEU A 28 1.899 -7.735 4.888 1.00 0.00 H new ATOM 0 HA LEU A 28 4.595 -8.062 4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.122 -5.763 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.736 -5.643 4.794 1.00 0.00 H new ATOM 0 HG LEU A 28 2.428 -6.553 3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.092 -4.212 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.711 -4.455 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.244 -3.683 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.818 -5.588 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.037 -5.114 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.695 -6.836 2.202 1.00 0.00 H new ATOM 445 N ASP A 29 4.032 -7.696 7.364 1.00 0.00 N ATOM 446 CA ASP A 29 4.627 -7.868 8.684 1.00 0.00 C ATOM 447 C ASP A 29 5.064 -9.313 8.892 1.00 0.00 C ATOM 448 O ASP A 29 6.225 -9.583 9.202 1.00 0.00 O ATOM 449 CB ASP A 29 3.631 -7.462 9.772 1.00 0.00 C ATOM 450 CG ASP A 29 3.690 -5.980 10.086 1.00 0.00 C ATOM 451 OD1 ASP A 29 4.760 -5.508 10.523 1.00 0.00 O ATOM 452 OD2 ASP A 29 2.665 -5.292 9.894 1.00 0.00 O ATOM 0 H ASP A 29 3.042 -7.449 7.376 1.00 0.00 H new ATOM 0 HA ASP A 29 5.505 -7.226 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.622 -7.723 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.836 -8.031 10.679 1.00 0.00 H new ATOM 457 N GLY A 30 4.129 -10.241 8.712 1.00 0.00 N ATOM 458 CA GLY A 30 4.440 -11.648 8.877 1.00 0.00 C ATOM 459 C GLY A 30 5.549 -12.100 7.949 1.00 0.00 C ATOM 460 O GLY A 30 6.315 -13.006 8.277 1.00 0.00 O ATOM 0 H GLY A 30 3.162 -10.043 8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.734 -11.835 9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.545 -12.241 8.688 1.00 0.00 H new ATOM 464 N LYS A 31 5.637 -11.460 6.787 1.00 0.00 N ATOM 465 CA LYS A 31 6.663 -11.791 5.806 1.00 0.00 C ATOM 466 C LYS A 31 8.037 -11.306 6.263 1.00 0.00 C ATOM 467 O LYS A 31 9.056 -11.655 5.667 1.00 0.00 O ATOM 468 CB LYS A 31 6.317 -11.174 4.449 1.00 0.00 C ATOM 469 CG LYS A 31 5.379 -12.029 3.613 1.00 0.00 C ATOM 470 CD LYS A 31 4.942 -11.304 2.351 1.00 0.00 C ATOM 471 CE LYS A 31 6.072 -11.219 1.338 1.00 0.00 C ATOM 472 NZ LYS A 31 6.534 -12.567 0.906 1.00 0.00 N ATOM 0 H LYS A 31 5.009 -10.708 6.502 1.00 0.00 H new ATOM 0 HA LYS A 31 6.698 -12.876 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.859 -10.198 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.238 -11.007 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.876 -12.961 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.502 -12.294 4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.093 -11.823 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.604 -10.300 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.738 -10.654 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.908 -10.671 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.026 -12.489 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.185 -12.956 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.714 -13.199 0.804 1.00 0.00 H new ATOM 486 N ARG A 32 8.061 -10.498 7.321 1.00 0.00 N ATOM 487 CA ARG A 32 9.312 -9.969 7.850 1.00 0.00 C ATOM 488 C ARG A 32 10.015 -9.102 6.811 1.00 0.00 C ATOM 489 O ARG A 32 11.222 -9.223 6.598 1.00 0.00 O ATOM 490 CB ARG A 32 10.231 -11.111 8.290 1.00 0.00 C ATOM 491 CG ARG A 32 9.686 -11.913 9.461 1.00 0.00 C ATOM 492 CD ARG A 32 10.026 -13.389 9.332 1.00 0.00 C ATOM 493 NE ARG A 32 9.224 -14.216 10.230 1.00 0.00 N ATOM 494 CZ ARG A 32 9.423 -15.519 10.414 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.396 -16.147 9.765 1.00 0.00 N ATOM 496 NH2 ARG A 32 8.648 -16.197 11.250 1.00 0.00 N ATOM 0 H ARG A 32 7.228 -10.197 7.827 1.00 0.00 H new ATOM 0 HA ARG A 32 9.079 -9.350 8.717 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.394 -11.781 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.203 -10.700 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.097 -11.524 10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.604 -11.791 9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.864 -13.710 8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.084 -13.538 9.550 1.00 0.00 H new ATOM 0 HE ARG A 32 8.467 -13.768 10.747 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.996 -15.631 9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.544 -17.146 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.899 -15.720 11.752 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.801 -17.196 11.391 1.00 0.00 H new ATOM 510 N ILE A 33 9.251 -8.225 6.168 1.00 0.00 N ATOM 511 CA ILE A 33 9.796 -7.338 5.154 1.00 0.00 C ATOM 512 C ILE A 33 10.401 -6.093 5.786 1.00 0.00 C ATOM 513 O ILE A 33 10.079 -5.735 6.919 1.00 0.00 O ATOM 514 CB ILE A 33 8.716 -6.915 4.139 1.00 0.00 C ATOM 515 CG1 ILE A 33 7.983 -8.146 3.603 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.338 -6.123 2.998 1.00 0.00 C ATOM 517 CD1 ILE A 33 6.931 -7.818 2.566 1.00 0.00 C ATOM 0 H ILE A 33 8.251 -8.112 6.334 1.00 0.00 H new ATOM 0 HA ILE A 33 10.576 -7.892 4.631 1.00 0.00 H new ATOM 0 HB ILE A 33 7.994 -6.275 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.710 -8.831 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.511 -8.669 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.561 -5.833 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.819 -5.229 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.080 -6.739 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.452 -8.738 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.182 -7.158 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.400 -7.322 1.716 1.00 0.00 H new ATOM 529 N GLN A 34 11.280 -5.439 5.042 1.00 0.00 N ATOM 530 CA GLN A 34 11.941 -4.228 5.515 1.00 0.00 C ATOM 531 C GLN A 34 11.469 -3.011 4.727 1.00 0.00 C ATOM 532 O GLN A 34 12.264 -2.141 4.370 1.00 0.00 O ATOM 533 CB GLN A 34 13.460 -4.372 5.396 1.00 0.00 C ATOM 534 CG GLN A 34 13.985 -5.709 5.894 1.00 0.00 C ATOM 535 CD GLN A 34 14.736 -6.478 4.824 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.793 -7.053 5.083 1.00 0.00 O ATOM 537 NE2 GLN A 34 14.193 -6.490 3.612 1.00 0.00 N ATOM 0 H GLN A 34 11.554 -5.727 4.103 1.00 0.00 H new ATOM 0 HA GLN A 34 11.679 -4.084 6.563 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.748 -4.244 4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.938 -3.571 5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.644 -5.541 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.150 -6.312 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.315 -6.000 3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.654 -6.990 2.852 1.00 0.00 H new ATOM 546 N TYR A 35 10.169 -2.959 4.458 1.00 0.00 N ATOM 547 CA TYR A 35 9.585 -1.852 3.710 1.00 0.00 C ATOM 548 C TYR A 35 9.072 -0.763 4.651 1.00 0.00 C ATOM 549 O TYR A 35 8.906 -0.992 5.849 1.00 0.00 O ATOM 550 CB TYR A 35 8.448 -2.361 2.813 1.00 0.00 C ATOM 551 CG TYR A 35 7.102 -2.447 3.505 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.895 -3.323 4.564 1.00 0.00 C ATOM 553 CD2 TYR A 35 6.041 -1.647 3.100 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.670 -3.400 5.197 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.813 -1.717 3.730 1.00 0.00 C ATOM 556 CZ TYR A 35 4.633 -2.595 4.777 1.00 0.00 C ATOM 557 OH TYR A 35 3.412 -2.668 5.407 1.00 0.00 O ATOM 0 H TYR A 35 9.499 -3.672 4.747 1.00 0.00 H new ATOM 0 HA TYR A 35 10.363 -1.417 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.359 -1.702 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.713 -3.348 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.706 -3.954 4.897 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.178 -0.959 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.525 -4.088 6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.999 -1.087 3.404 1.00 0.00 H new ATOM 0 HH TYR A 35 3.519 -2.444 6.355 1.00 0.00 H new ATOM 567 N GLN A 36 8.816 0.418 4.097 1.00 0.00 N ATOM 568 CA GLN A 36 8.313 1.539 4.883 1.00 0.00 C ATOM 569 C GLN A 36 6.809 1.693 4.690 1.00 0.00 C ATOM 570 O GLN A 36 6.193 0.938 3.938 1.00 0.00 O ATOM 571 CB GLN A 36 9.026 2.832 4.484 1.00 0.00 C ATOM 572 CG GLN A 36 8.909 3.160 3.005 1.00 0.00 C ATOM 573 CD GLN A 36 10.188 2.877 2.242 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.459 1.737 1.862 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.983 3.915 2.013 1.00 0.00 N ATOM 0 H GLN A 36 8.949 0.623 3.107 1.00 0.00 H new ATOM 0 HA GLN A 36 8.513 1.337 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.615 3.658 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.081 2.752 4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.095 2.579 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.647 4.212 2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.719 4.842 2.346 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.857 3.785 1.504 1.00 0.00 H new ATOM 584 N LEU A 37 6.218 2.673 5.365 1.00 0.00 N ATOM 585 CA LEU A 37 4.789 2.912 5.252 1.00 0.00 C ATOM 586 C LEU A 37 4.498 4.402 5.212 1.00 0.00 C ATOM 587 O LEU A 37 4.508 5.078 6.241 1.00 0.00 O ATOM 588 CB LEU A 37 4.047 2.263 6.418 1.00 0.00 C ATOM 589 CG LEU A 37 2.587 1.902 6.136 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.485 0.485 5.592 1.00 0.00 C ATOM 591 CD2 LEU A 37 1.747 2.053 7.396 1.00 0.00 C ATOM 0 H LEU A 37 6.707 3.311 5.993 1.00 0.00 H new ATOM 0 HA LEU A 37 4.440 2.465 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.580 1.358 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.080 2.940 7.272 1.00 0.00 H new ATOM 0 HG LEU A 37 2.201 2.589 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.440 0.245 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.054 0.409 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.888 -0.215 6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.712 1.792 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.132 1.390 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.795 3.085 7.744 1.00 0.00 H new ATOM 603 N VAL A 38 4.236 4.905 4.017 1.00 0.00 N ATOM 604 CA VAL A 38 3.937 6.318 3.838 1.00 0.00 C ATOM 605 C VAL A 38 2.490 6.609 4.208 1.00 0.00 C ATOM 606 O VAL A 38 1.622 6.716 3.343 1.00 0.00 O ATOM 607 CB VAL A 38 4.200 6.786 2.392 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.687 7.011 2.167 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.650 5.786 1.386 1.00 0.00 C ATOM 0 H VAL A 38 4.224 4.357 3.157 1.00 0.00 H new ATOM 0 HA VAL A 38 4.604 6.870 4.500 1.00 0.00 H new ATOM 0 HB VAL A 38 3.681 7.733 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.854 7.341 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.048 7.774 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.226 6.080 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.849 6.140 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.132 4.819 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.575 5.681 1.529 1.00 0.00 H new ATOM 619 N ASP A 39 2.239 6.728 5.506 1.00 0.00 N ATOM 620 CA ASP A 39 0.893 6.998 5.999 1.00 0.00 C ATOM 621 C ASP A 39 0.545 8.474 5.847 1.00 0.00 C ATOM 622 O ASP A 39 1.112 9.332 6.524 1.00 0.00 O ATOM 623 CB ASP A 39 0.770 6.583 7.466 1.00 0.00 C ATOM 624 CG ASP A 39 1.184 5.143 7.697 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.237 4.735 7.163 1.00 0.00 O ATOM 626 OD2 ASP A 39 0.457 4.423 8.413 1.00 0.00 O ATOM 0 H ASP A 39 2.947 6.642 6.235 1.00 0.00 H new ATOM 0 HA ASP A 39 0.192 6.413 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.388 7.239 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.261 6.719 7.794 1.00 0.00 H new ATOM 631 N ILE A 40 -0.390 8.758 4.946 1.00 0.00 N ATOM 632 CA ILE A 40 -0.821 10.126 4.687 1.00 0.00 C ATOM 633 C ILE A 40 -1.545 10.725 5.890 1.00 0.00 C ATOM 634 O ILE A 40 -1.677 11.943 6.001 1.00 0.00 O ATOM 635 CB ILE A 40 -1.748 10.195 3.457 1.00 0.00 C ATOM 636 CG1 ILE A 40 -2.983 9.318 3.672 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.999 9.764 2.204 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.068 9.539 2.640 1.00 0.00 C ATOM 0 H ILE A 40 -0.865 8.055 4.381 1.00 0.00 H new ATOM 0 HA ILE A 40 0.081 10.706 4.493 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.075 11.226 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.683 8.270 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.390 9.515 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.667 9.818 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.147 10.425 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.646 8.740 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.913 8.884 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.396 10.578 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.677 9.314 1.648 1.00 0.00 H new ATOM 650 N SER A 41 -2.012 9.865 6.791 1.00 0.00 N ATOM 651 CA SER A 41 -2.719 10.318 7.983 1.00 0.00 C ATOM 652 C SER A 41 -1.833 11.232 8.825 1.00 0.00 C ATOM 653 O SER A 41 -2.327 12.081 9.567 1.00 0.00 O ATOM 654 CB SER A 41 -3.175 9.120 8.817 1.00 0.00 C ATOM 655 OG SER A 41 -4.075 9.521 9.836 1.00 0.00 O ATOM 0 H SER A 41 -1.913 8.852 6.718 1.00 0.00 H new ATOM 0 HA SER A 41 -3.595 10.883 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.656 8.385 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.308 8.633 9.264 1.00 0.00 H new ATOM 0 HG SER A 41 -3.703 9.287 10.712 1.00 0.00 H new ATOM 661 N GLN A 42 -0.522 11.052 8.703 1.00 0.00 N ATOM 662 CA GLN A 42 0.436 11.859 9.449 1.00 0.00 C ATOM 663 C GLN A 42 0.268 13.340 9.129 1.00 0.00 C ATOM 664 O GLN A 42 -0.133 14.130 9.984 1.00 0.00 O ATOM 665 CB GLN A 42 1.863 11.417 9.124 1.00 0.00 C ATOM 666 CG GLN A 42 2.921 12.100 9.975 1.00 0.00 C ATOM 667 CD GLN A 42 4.330 11.799 9.504 1.00 0.00 C ATOM 668 OE1 GLN A 42 5.083 12.703 9.142 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.695 10.521 9.508 1.00 0.00 N ATOM 0 H GLN A 42 -0.098 10.353 8.093 1.00 0.00 H new ATOM 0 HA GLN A 42 0.247 11.712 10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.940 10.338 9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.067 11.621 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.758 13.178 9.956 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.812 11.779 11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.038 9.804 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.632 10.257 9.203 1.00 0.00 H new ATOM 678 N ASP A 43 0.580 13.709 7.891 1.00 0.00 N ATOM 679 CA ASP A 43 0.467 15.096 7.455 1.00 0.00 C ATOM 680 C ASP A 43 -0.723 15.278 6.520 1.00 0.00 C ATOM 681 O ASP A 43 -1.111 14.354 5.804 1.00 0.00 O ATOM 682 CB ASP A 43 1.753 15.537 6.754 1.00 0.00 C ATOM 683 CG ASP A 43 1.864 17.046 6.645 1.00 0.00 C ATOM 684 OD1 ASP A 43 1.038 17.652 5.931 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.777 17.621 7.275 1.00 0.00 O ATOM 0 H ASP A 43 0.913 13.067 7.172 1.00 0.00 H new ATOM 0 HA ASP A 43 0.310 15.716 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.613 15.151 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.788 15.100 5.756 1.00 0.00 H new ATOM 690 N ASN A 44 -1.300 16.475 6.531 1.00 0.00 N ATOM 691 CA ASN A 44 -2.447 16.780 5.683 1.00 0.00 C ATOM 692 C ASN A 44 -2.026 16.944 4.224 1.00 0.00 C ATOM 693 O ASN A 44 -2.854 16.848 3.318 1.00 0.00 O ATOM 694 CB ASN A 44 -3.142 18.052 6.171 1.00 0.00 C ATOM 695 CG ASN A 44 -4.237 17.761 7.179 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.985 16.793 7.039 1.00 0.00 O ATOM 697 ND2 ASN A 44 -4.338 18.601 8.202 1.00 0.00 N ATOM 0 H ASN A 44 -0.992 17.250 7.118 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.143 15.944 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.404 18.716 6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.568 18.580 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.057 18.457 8.911 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.697 19.391 8.279 1.00 0.00 H new ATOM 704 N ALA A 45 -0.738 17.191 4.002 1.00 0.00 N ATOM 705 CA ALA A 45 -0.217 17.366 2.651 1.00 0.00 C ATOM 706 C ALA A 45 -0.143 16.034 1.917 1.00 0.00 C ATOM 707 O ALA A 45 -0.410 15.959 0.717 1.00 0.00 O ATOM 708 CB ALA A 45 1.152 18.027 2.694 1.00 0.00 C ATOM 0 H ALA A 45 -0.038 17.274 4.739 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.902 18.014 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.528 18.151 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.070 19.003 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.840 17.401 3.262 1.00 0.00 H new ATOM 714 N LEU A 46 0.216 14.984 2.644 1.00 0.00 N ATOM 715 CA LEU A 46 0.319 13.653 2.061 1.00 0.00 C ATOM 716 C LEU A 46 -1.027 13.210 1.499 1.00 0.00 C ATOM 717 O LEU A 46 -1.089 12.485 0.505 1.00 0.00 O ATOM 718 CB LEU A 46 0.806 12.649 3.107 1.00 0.00 C ATOM 719 CG LEU A 46 2.316 12.654 3.355 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.618 12.350 4.815 1.00 0.00 C ATOM 721 CD2 LEU A 46 3.007 11.649 2.446 1.00 0.00 C ATOM 0 H LEU A 46 0.441 15.028 3.638 1.00 0.00 H new ATOM 0 HA LEU A 46 1.042 13.691 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.298 12.854 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.508 11.648 2.795 1.00 0.00 H new ATOM 0 HG LEU A 46 2.700 13.648 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.697 12.358 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.153 13.106 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.221 11.368 5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.080 11.665 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.618 10.650 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.818 11.910 1.405 1.00 0.00 H new ATOM 733 N ARG A 47 -2.103 13.655 2.140 1.00 0.00 N ATOM 734 CA ARG A 47 -3.451 13.311 1.705 1.00 0.00 C ATOM 735 C ARG A 47 -3.732 13.881 0.319 1.00 0.00 C ATOM 736 O ARG A 47 -4.172 13.165 -0.581 1.00 0.00 O ATOM 737 CB ARG A 47 -4.483 13.835 2.705 1.00 0.00 C ATOM 738 CG ARG A 47 -4.824 12.843 3.805 1.00 0.00 C ATOM 739 CD ARG A 47 -5.092 13.547 5.125 1.00 0.00 C ATOM 740 NE ARG A 47 -6.178 12.917 5.872 1.00 0.00 N ATOM 741 CZ ARG A 47 -7.466 13.054 5.565 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.833 13.794 4.526 1.00 0.00 N ATOM 743 NH2 ARG A 47 -8.390 12.450 6.299 1.00 0.00 N ATOM 0 H ARG A 47 -2.067 14.256 2.964 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.526 12.225 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.104 14.751 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.395 14.098 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.701 12.264 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.002 12.137 3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.185 13.541 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.341 14.591 4.935 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.935 12.338 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.127 14.261 3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.821 13.895 4.296 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.114 11.880 7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.377 12.555 6.064 1.00 0.00 H new ATOM 757 N ASP A 48 -3.472 15.175 0.152 1.00 0.00 N ATOM 758 CA ASP A 48 -3.697 15.837 -1.129 1.00 0.00 C ATOM 759 C ASP A 48 -2.521 15.637 -2.075 1.00 0.00 C ATOM 760 O ASP A 48 -2.526 16.121 -3.207 1.00 0.00 O ATOM 761 CB ASP A 48 -3.964 17.329 -0.924 1.00 0.00 C ATOM 762 CG ASP A 48 -5.048 17.854 -1.845 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.238 17.592 -1.570 1.00 0.00 O ATOM 764 OD2 ASP A 48 -4.707 18.527 -2.840 1.00 0.00 O ATOM 0 H ASP A 48 -3.107 15.784 0.885 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.576 15.381 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.255 17.504 0.112 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.044 17.887 -1.096 1.00 0.00 H new ATOM 769 N GLU A 49 -1.527 14.912 -1.602 1.00 0.00 N ATOM 770 CA GLU A 49 -0.337 14.622 -2.392 1.00 0.00 C ATOM 771 C GLU A 49 -0.420 13.219 -2.985 1.00 0.00 C ATOM 772 O GLU A 49 0.139 12.947 -4.048 1.00 0.00 O ATOM 773 CB GLU A 49 0.921 14.754 -1.532 1.00 0.00 C ATOM 774 CG GLU A 49 2.214 14.601 -2.317 1.00 0.00 C ATOM 775 CD GLU A 49 3.247 13.769 -1.583 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.449 14.006 -0.373 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.854 12.881 -2.218 1.00 0.00 O ATOM 0 H GLU A 49 -1.516 14.507 -0.666 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.282 15.344 -3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.916 15.728 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.893 14.001 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.998 14.138 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.628 15.588 -2.524 1.00 0.00 H new ATOM 784 N MET A 50 -1.126 12.333 -2.288 1.00 0.00 N ATOM 785 CA MET A 50 -1.290 10.957 -2.740 1.00 0.00 C ATOM 786 C MET A 50 -2.474 10.838 -3.693 1.00 0.00 C ATOM 787 O MET A 50 -2.440 10.061 -4.648 1.00 0.00 O ATOM 788 CB MET A 50 -1.491 10.027 -1.541 1.00 0.00 C ATOM 789 CG MET A 50 -1.123 8.578 -1.825 1.00 0.00 C ATOM 790 SD MET A 50 -2.454 7.427 -1.427 1.00 0.00 S ATOM 791 CE MET A 50 -3.806 8.134 -2.366 1.00 0.00 C ATOM 0 H MET A 50 -1.594 12.545 -1.407 1.00 0.00 H new ATOM 0 HA MET A 50 -0.385 10.663 -3.273 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.890 10.389 -0.707 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.534 10.073 -1.227 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.862 8.474 -2.878 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.236 8.314 -1.249 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.655 7.450 -2.353 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.099 9.085 -1.922 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.488 8.297 -3.396 1.00 0.00 H new ATOM 801 N ARG A 51 -3.520 11.614 -3.427 1.00 0.00 N ATOM 802 CA ARG A 51 -4.716 11.598 -4.261 1.00 0.00 C ATOM 803 C ARG A 51 -4.387 12.010 -5.693 1.00 0.00 C ATOM 804 O ARG A 51 -5.022 11.552 -6.643 1.00 0.00 O ATOM 805 CB ARG A 51 -5.780 12.531 -3.679 1.00 0.00 C ATOM 806 CG ARG A 51 -6.833 11.811 -2.852 1.00 0.00 C ATOM 807 CD ARG A 51 -6.215 11.104 -1.657 1.00 0.00 C ATOM 808 NE ARG A 51 -7.138 10.148 -1.050 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.207 10.499 -0.339 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.492 11.780 -0.144 1.00 0.00 N ATOM 811 NH2 ARG A 51 -8.994 9.565 0.178 1.00 0.00 N ATOM 0 H ARG A 51 -3.563 12.262 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.105 10.580 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.292 13.282 -3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.271 13.062 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.578 12.527 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.354 11.085 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.310 10.585 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.917 11.843 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.952 9.153 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.890 12.502 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.313 12.043 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.780 8.579 0.031 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.813 9.833 0.723 1.00 0.00 H new ATOM 825 N ALA A 52 -3.391 12.879 -5.839 1.00 0.00 N ATOM 826 CA ALA A 52 -2.979 13.353 -7.155 1.00 0.00 C ATOM 827 C ALA A 52 -1.967 12.406 -7.789 1.00 0.00 C ATOM 828 O ALA A 52 -2.072 12.068 -8.968 1.00 0.00 O ATOM 829 CB ALA A 52 -2.398 14.755 -7.050 1.00 0.00 C ATOM 0 H ALA A 52 -2.855 13.268 -5.063 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.860 13.382 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.094 15.098 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.151 15.432 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.532 14.741 -6.389 1.00 0.00 H new ATOM 835 N LEU A 53 -0.986 11.981 -6.999 1.00 0.00 N ATOM 836 CA LEU A 53 0.047 11.072 -7.485 1.00 0.00 C ATOM 837 C LEU A 53 -0.565 9.768 -7.989 1.00 0.00 C ATOM 838 O LEU A 53 -0.023 9.125 -8.887 1.00 0.00 O ATOM 839 CB LEU A 53 1.059 10.778 -6.376 1.00 0.00 C ATOM 840 CG LEU A 53 2.148 11.837 -6.196 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.945 11.572 -4.929 1.00 0.00 C ATOM 842 CD2 LEU A 53 3.065 11.867 -7.409 1.00 0.00 C ATOM 0 H LEU A 53 -0.884 12.251 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 53 0.558 11.556 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.521 10.668 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.536 9.820 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 53 1.670 12.812 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.715 12.335 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.278 11.600 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.414 10.590 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.834 12.626 -7.265 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.536 10.892 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.483 12.105 -8.299 1.00 0.00 H new ATOM 854 N ALA A 54 -1.695 9.384 -7.404 1.00 0.00 N ATOM 855 CA ALA A 54 -2.377 8.156 -7.795 1.00 0.00 C ATOM 856 C ALA A 54 -3.406 8.411 -8.895 1.00 0.00 C ATOM 857 O ALA A 54 -4.196 7.529 -9.232 1.00 0.00 O ATOM 858 CB ALA A 54 -3.046 7.520 -6.586 1.00 0.00 C ATOM 0 H ALA A 54 -2.157 9.905 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.628 7.471 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.552 6.604 -6.890 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.292 7.286 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.774 8.214 -6.166 1.00 0.00 H new ATOM 864 N GLY A 55 -3.397 9.621 -9.454 1.00 0.00 N ATOM 865 CA GLY A 55 -4.338 9.959 -10.509 1.00 0.00 C ATOM 866 C GLY A 55 -5.772 9.634 -10.136 1.00 0.00 C ATOM 867 O GLY A 55 -6.500 9.022 -10.918 1.00 0.00 O ATOM 0 H GLY A 55 -2.756 10.371 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.257 11.022 -10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.071 9.418 -11.417 1.00 0.00 H new ATOM 871 N ASN A 56 -6.175 10.045 -8.938 1.00 0.00 N ATOM 872 CA ASN A 56 -7.527 9.798 -8.453 1.00 0.00 C ATOM 873 C ASN A 56 -7.700 10.359 -7.061 1.00 0.00 C ATOM 874 O ASN A 56 -7.080 9.896 -6.103 1.00 0.00 O ATOM 875 CB ASN A 56 -7.847 8.301 -8.460 1.00 0.00 C ATOM 876 CG ASN A 56 -9.270 8.011 -8.024 1.00 0.00 C ATOM 877 OD1 ASN A 56 -10.225 8.557 -8.577 1.00 0.00 O ATOM 878 ND2 ASN A 56 -9.419 7.147 -7.027 1.00 0.00 N ATOM 0 H ASN A 56 -5.581 10.553 -8.283 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.222 10.301 -9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.689 7.903 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.154 7.781 -7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.353 6.912 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.600 6.718 -6.597 1.00 0.00 H new ATOM 885 N PRO A 57 -8.547 11.384 -6.938 1.00 0.00 N ATOM 886 CA PRO A 57 -8.813 12.041 -5.677 1.00 0.00 C ATOM 887 C PRO A 57 -9.925 11.364 -4.883 1.00 0.00 C ATOM 888 O PRO A 57 -10.572 11.987 -4.041 1.00 0.00 O ATOM 889 CB PRO A 57 -9.232 13.450 -6.108 1.00 0.00 C ATOM 890 CG PRO A 57 -9.326 13.442 -7.602 1.00 0.00 C ATOM 891 CD PRO A 57 -9.309 12.008 -8.021 1.00 0.00 C ATOM 0 HA PRO A 57 -7.950 12.018 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.190 13.720 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.504 14.188 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.240 13.933 -7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.492 13.986 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.314 11.595 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.828 11.872 -8.990 1.00 0.00 H new ATOM 899 N LYS A 58 -10.134 10.083 -5.153 1.00 0.00 N ATOM 900 CA LYS A 58 -11.157 9.308 -4.467 1.00 0.00 C ATOM 901 C LYS A 58 -10.596 7.968 -3.987 1.00 0.00 C ATOM 902 O LYS A 58 -11.330 7.128 -3.467 1.00 0.00 O ATOM 903 CB LYS A 58 -12.351 9.076 -5.396 1.00 0.00 C ATOM 904 CG LYS A 58 -13.445 8.222 -4.781 1.00 0.00 C ATOM 905 CD LYS A 58 -14.826 8.696 -5.201 1.00 0.00 C ATOM 906 CE LYS A 58 -15.844 8.504 -4.088 1.00 0.00 C ATOM 907 NZ LYS A 58 -15.684 9.517 -3.009 1.00 0.00 N ATOM 0 H LYS A 58 -9.604 9.556 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.487 9.872 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.772 10.040 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.001 8.599 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.309 7.183 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.364 8.252 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.782 9.750 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.146 8.147 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.850 8.570 -4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.737 7.505 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.000 9.113 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.683 9.791 -2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.257 10.356 -3.233 1.00 0.00 H new ATOM 921 N ALA A 59 -9.289 7.773 -4.164 1.00 0.00 N ATOM 922 CA ALA A 59 -8.638 6.537 -3.749 1.00 0.00 C ATOM 923 C ALA A 59 -8.777 6.317 -2.245 1.00 0.00 C ATOM 924 O ALA A 59 -9.589 6.966 -1.586 1.00 0.00 O ATOM 925 CB ALA A 59 -7.170 6.558 -4.150 1.00 0.00 C ATOM 0 H ALA A 59 -8.664 8.456 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.132 5.707 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.693 5.630 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.090 6.658 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.674 7.402 -3.670 1.00 0.00 H new ATOM 931 N THR A 60 -7.980 5.397 -1.711 1.00 0.00 N ATOM 932 CA THR A 60 -8.014 5.089 -0.286 1.00 0.00 C ATOM 933 C THR A 60 -6.602 5.065 0.298 1.00 0.00 C ATOM 934 O THR A 60 -5.621 4.950 -0.436 1.00 0.00 O ATOM 935 CB THR A 60 -8.699 3.742 -0.054 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.943 2.690 -0.627 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.095 3.673 -0.635 1.00 0.00 C ATOM 0 H THR A 60 -7.303 4.852 -2.244 1.00 0.00 H new ATOM 0 HA THR A 60 -8.583 5.870 0.219 1.00 0.00 H new ATOM 0 HB THR A 60 -8.767 3.635 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.397 1.836 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.524 2.691 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.718 4.441 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.050 3.837 -1.712 1.00 0.00 H new ATOM 945 N PRO A 61 -6.482 5.173 1.633 1.00 0.00 N ATOM 946 CA PRO A 61 -5.183 5.163 2.312 1.00 0.00 C ATOM 947 C PRO A 61 -4.288 4.005 1.867 1.00 0.00 C ATOM 948 O PRO A 61 -3.118 4.212 1.547 1.00 0.00 O ATOM 949 CB PRO A 61 -5.554 5.022 3.789 1.00 0.00 C ATOM 950 CG PRO A 61 -6.918 5.613 3.892 1.00 0.00 C ATOM 951 CD PRO A 61 -7.601 5.314 2.585 1.00 0.00 C ATOM 0 HA PRO A 61 -4.605 6.059 2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.550 3.978 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.845 5.548 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.468 5.180 4.727 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.865 6.687 4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.196 4.402 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.277 6.118 2.293 1.00 0.00 H new ATOM 959 N PRO A 62 -4.817 2.765 1.840 1.00 0.00 N ATOM 960 CA PRO A 62 -4.035 1.593 1.429 1.00 0.00 C ATOM 961 C PRO A 62 -3.665 1.634 -0.050 1.00 0.00 C ATOM 962 O PRO A 62 -4.374 1.087 -0.894 1.00 0.00 O ATOM 963 CB PRO A 62 -4.969 0.415 1.716 1.00 0.00 C ATOM 964 CG PRO A 62 -6.338 0.997 1.690 1.00 0.00 C ATOM 965 CD PRO A 62 -6.202 2.403 2.203 1.00 0.00 C ATOM 0 HA PRO A 62 -3.084 1.534 1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.858 -0.369 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.750 -0.036 2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.746 0.989 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.019 0.419 2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.927 3.072 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.362 2.456 3.280 1.00 0.00 H new ATOM 973 N GLN A 63 -2.547 2.286 -0.355 1.00 0.00 N ATOM 974 CA GLN A 63 -2.077 2.400 -1.731 1.00 0.00 C ATOM 975 C GLN A 63 -0.567 2.194 -1.804 1.00 0.00 C ATOM 976 O GLN A 63 0.201 2.938 -1.196 1.00 0.00 O ATOM 977 CB GLN A 63 -2.446 3.768 -2.306 1.00 0.00 C ATOM 978 CG GLN A 63 -3.933 3.937 -2.566 1.00 0.00 C ATOM 979 CD GLN A 63 -4.383 3.252 -3.842 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.567 2.918 -4.701 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.687 3.039 -3.971 1.00 0.00 N ATOM 0 H GLN A 63 -1.949 2.744 0.333 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.562 1.624 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.116 4.544 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.903 3.919 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.494 3.532 -1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.169 4.999 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.327 3.333 -3.233 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.049 2.582 -4.808 1.00 0.00 H new ATOM 990 N ILE A 64 -0.149 1.177 -2.550 1.00 0.00 N ATOM 991 CA ILE A 64 1.269 0.874 -2.698 1.00 0.00 C ATOM 992 C ILE A 64 1.914 1.746 -3.769 1.00 0.00 C ATOM 993 O ILE A 64 1.235 2.266 -4.655 1.00 0.00 O ATOM 994 CB ILE A 64 1.495 -0.607 -3.056 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.676 -1.508 -2.131 1.00 0.00 C ATOM 996 CG2 ILE A 64 2.975 -0.952 -2.969 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.660 -1.917 -2.713 1.00 0.00 C ATOM 0 H ILE A 64 -0.771 0.550 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 64 1.735 1.084 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 64 1.163 -0.774 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.254 -2.404 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.509 -0.990 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.120 -2.002 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.536 -0.328 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.331 -0.773 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.186 -2.555 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.257 -1.027 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.500 -2.464 -3.642 1.00 0.00 H new ATOM 1009 N VAL A 65 3.230 1.901 -3.680 1.00 0.00 N ATOM 1010 CA VAL A 65 3.976 2.707 -4.637 1.00 0.00 C ATOM 1011 C VAL A 65 5.424 2.234 -4.729 1.00 0.00 C ATOM 1012 O VAL A 65 6.043 1.894 -3.721 1.00 0.00 O ATOM 1013 CB VAL A 65 3.945 4.202 -4.252 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.793 5.037 -5.204 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.511 4.710 -4.222 1.00 0.00 C ATOM 0 H VAL A 65 3.804 1.477 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 65 3.497 2.586 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 65 4.372 4.303 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.750 6.085 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.826 4.692 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.410 4.933 -6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.504 5.765 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.061 4.587 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.939 4.142 -3.488 1.00 0.00 H new ATOM 1025 N ASN A 66 5.954 2.214 -5.946 1.00 0.00 N ATOM 1026 CA ASN A 66 7.328 1.782 -6.175 1.00 0.00 C ATOM 1027 C ASN A 66 8.231 2.974 -6.469 1.00 0.00 C ATOM 1028 O ASN A 66 8.564 3.244 -7.623 1.00 0.00 O ATOM 1029 CB ASN A 66 7.385 0.785 -7.334 1.00 0.00 C ATOM 1030 CG ASN A 66 7.233 -0.651 -6.870 1.00 0.00 C ATOM 1031 OD1 ASN A 66 6.178 -1.047 -6.374 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.290 -1.438 -7.028 1.00 0.00 N ATOM 0 H ASN A 66 5.453 2.492 -6.790 1.00 0.00 H new ATOM 0 HA ASN A 66 7.685 1.294 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.596 1.018 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.334 0.896 -7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.248 -2.414 -6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.144 -1.067 -7.444 1.00 0.00 H new ATOM 1039 N GLY A 67 8.624 3.685 -5.417 1.00 0.00 N ATOM 1040 CA GLY A 67 9.485 4.840 -5.583 1.00 0.00 C ATOM 1041 C GLY A 67 8.705 6.116 -5.824 1.00 0.00 C ATOM 1042 O GLY A 67 8.454 6.883 -4.895 1.00 0.00 O ATOM 0 H GLY A 67 8.361 3.481 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.103 4.959 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.161 4.668 -6.421 1.00 0.00 H new ATOM 1046 N ASP A 68 8.322 6.345 -7.075 1.00 0.00 N ATOM 1047 CA ASP A 68 7.566 7.539 -7.435 1.00 0.00 C ATOM 1048 C ASP A 68 6.567 7.236 -8.546 1.00 0.00 C ATOM 1049 O ASP A 68 6.390 8.031 -9.469 1.00 0.00 O ATOM 1050 CB ASP A 68 8.517 8.654 -7.875 1.00 0.00 C ATOM 1051 CG ASP A 68 8.062 10.021 -7.404 1.00 0.00 C ATOM 1052 OD1 ASP A 68 7.886 10.199 -6.180 1.00 0.00 O ATOM 1053 OD2 ASP A 68 7.880 10.914 -8.258 1.00 0.00 O ATOM 0 H ASP A 68 8.522 5.720 -7.856 1.00 0.00 H new ATOM 0 HA ASP A 68 7.012 7.869 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.515 8.452 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.594 8.654 -8.962 1.00 0.00 H new ATOM 1058 N GLN A 69 5.914 6.082 -8.452 1.00 0.00 N ATOM 1059 CA GLN A 69 4.933 5.679 -9.450 1.00 0.00 C ATOM 1060 C GLN A 69 3.773 4.938 -8.796 1.00 0.00 C ATOM 1061 O GLN A 69 3.885 4.461 -7.668 1.00 0.00 O ATOM 1062 CB GLN A 69 5.587 4.794 -10.512 1.00 0.00 C ATOM 1063 CG GLN A 69 5.699 5.459 -11.874 1.00 0.00 C ATOM 1064 CD GLN A 69 6.717 4.784 -12.772 1.00 0.00 C ATOM 1065 OE1 GLN A 69 7.640 5.426 -13.274 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.554 3.483 -12.978 1.00 0.00 N ATOM 0 H GLN A 69 6.047 5.411 -7.695 1.00 0.00 H new ATOM 0 HA GLN A 69 4.545 6.578 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.583 4.510 -10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.010 3.875 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.724 5.445 -12.362 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.974 6.505 -11.742 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.774 2.991 -12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.208 2.975 -13.573 1.00 0.00 H new ATOM 1075 N TYR A 70 2.661 4.842 -9.511 1.00 0.00 N ATOM 1076 CA TYR A 70 1.485 4.156 -8.995 1.00 0.00 C ATOM 1077 C TYR A 70 1.635 2.647 -9.143 1.00 0.00 C ATOM 1078 O TYR A 70 1.466 2.099 -10.232 1.00 0.00 O ATOM 1079 CB TYR A 70 0.229 4.632 -9.725 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.045 4.438 -8.934 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.107 4.767 -7.586 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.187 3.925 -9.537 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.271 4.591 -6.861 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.354 3.746 -8.819 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.391 4.080 -7.482 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.551 3.903 -6.764 1.00 0.00 O ATOM 0 H TYR A 70 2.548 5.229 -10.448 1.00 0.00 H new ATOM 0 HA TYR A 70 1.389 4.393 -7.935 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.339 5.689 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.144 4.096 -10.670 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.232 5.167 -7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.162 3.662 -10.584 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.303 4.852 -5.814 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.233 3.346 -9.303 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.469 3.105 -6.201 1.00 0.00 H new ATOM 1096 N CYS A 71 1.959 1.981 -8.040 1.00 0.00 N ATOM 1097 CA CYS A 71 2.140 0.534 -8.047 1.00 0.00 C ATOM 1098 C CYS A 71 0.796 -0.186 -8.008 1.00 0.00 C ATOM 1099 O CYS A 71 0.519 -1.044 -8.847 1.00 0.00 O ATOM 1100 CB CYS A 71 2.998 0.102 -6.856 1.00 0.00 C ATOM 1101 SG CYS A 71 3.353 -1.670 -6.807 1.00 0.00 S ATOM 0 H CYS A 71 2.102 2.420 -7.130 1.00 0.00 H new ATOM 0 HA CYS A 71 2.648 0.262 -8.972 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.940 0.650 -6.883 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.490 0.386 -5.934 1.00 0.00 H new ATOM 0 HG CYS A 71 2.389 -2.289 -6.193 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.039 0.165 -7.035 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.342 -0.464 -6.920 1.00 0.00 C ATOM 1109 C GLY A 72 -2.060 -0.099 -5.635 1.00 0.00 C ATOM 1110 O GLY A 72 -1.934 1.022 -5.142 1.00 0.00 O ATOM 0 H GLY A 72 0.162 0.871 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.958 -0.171 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.223 -1.546 -6.970 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.819 -1.048 -5.096 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.566 -0.825 -3.864 1.00 0.00 C ATOM 1116 C ASP A 73 -3.940 -2.153 -3.205 1.00 0.00 C ATOM 1117 O ASP A 73 -3.385 -3.200 -3.540 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.823 0.002 -4.153 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.833 -0.748 -5.000 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.494 -1.662 -4.464 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.964 -0.420 -6.198 1.00 0.00 O ATOM 0 H ASP A 73 -2.933 -1.980 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.931 -0.272 -3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.288 0.291 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.539 0.922 -4.663 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.880 -2.101 -2.265 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.326 -3.296 -1.555 1.00 0.00 C ATOM 1128 C TYR A 74 -5.795 -4.380 -2.525 1.00 0.00 C ATOM 1129 O TYR A 74 -5.344 -5.523 -2.458 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.457 -2.938 -0.585 1.00 0.00 C ATOM 1131 CG TYR A 74 -7.089 -4.136 0.091 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -8.115 -4.842 -0.523 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.660 -4.558 1.343 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.697 -5.935 0.091 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -7.236 -5.651 1.963 1.00 0.00 C ATOM 1136 CZ TYR A 74 -8.253 -6.336 1.333 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.830 -7.424 1.948 1.00 0.00 O ATOM 0 H TYR A 74 -5.348 -1.242 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.478 -3.690 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.067 -2.266 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.228 -2.391 -1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.464 -4.532 -1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.864 -4.024 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.495 -6.472 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.891 -5.967 2.936 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.401 -7.574 2.816 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.706 -4.015 -3.422 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.245 -4.948 -4.398 1.00 0.00 C ATOM 1149 C GLU A 75 -6.137 -5.708 -5.125 1.00 0.00 C ATOM 1150 O GLU A 75 -6.044 -6.932 -5.029 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.108 -4.188 -5.401 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.389 -4.911 -5.769 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.418 -5.353 -7.219 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -9.331 -4.480 -8.107 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.530 -6.572 -7.466 1.00 0.00 O ATOM 0 H GLU A 75 -7.087 -3.071 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.852 -5.683 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.358 -3.211 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.528 -4.011 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.506 -5.783 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.239 -4.256 -5.576 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.301 -4.975 -5.854 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.201 -5.580 -6.601 1.00 0.00 C ATOM 1164 C LEU A 76 -3.342 -6.462 -5.699 1.00 0.00 C ATOM 1165 O LEU A 76 -3.177 -7.656 -5.953 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.334 -4.495 -7.241 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.072 -3.555 -8.197 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.381 -2.232 -7.513 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.254 -3.325 -9.459 1.00 0.00 C ATOM 0 H LEU A 76 -5.364 -3.961 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.632 -6.204 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.880 -3.900 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.520 -4.975 -7.784 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.014 -4.024 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.906 -1.577 -8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.008 -2.412 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.451 -1.758 -7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.795 -2.654 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.295 -2.878 -9.195 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.084 -4.277 -9.961 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.795 -5.864 -4.645 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.951 -6.590 -3.701 1.00 0.00 C ATOM 1183 C PHE A 77 -2.619 -7.890 -3.254 1.00 0.00 C ATOM 1184 O PHE A 77 -2.029 -8.967 -3.348 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.643 -5.706 -2.488 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.953 -6.429 -1.365 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.678 -7.209 -0.478 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.419 -6.329 -1.197 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -1.047 -7.876 0.555 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.055 -6.992 -0.165 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.321 -7.767 0.712 1.00 0.00 C ATOM 0 H PHE A 77 -2.921 -4.877 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.018 -6.846 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.018 -4.872 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.575 -5.281 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.748 -7.297 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.998 -5.726 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.623 -8.482 1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.125 -6.904 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.816 -8.287 1.519 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.853 -7.781 -2.772 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.598 -8.948 -2.316 1.00 0.00 C ATOM 1203 C VAL A 78 -4.883 -9.899 -3.474 1.00 0.00 C ATOM 1204 O VAL A 78 -4.929 -11.116 -3.295 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.930 -8.546 -1.654 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.621 -9.765 -1.061 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.698 -7.484 -0.589 1.00 0.00 C ATOM 0 H VAL A 78 -4.357 -6.898 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.976 -9.452 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.582 -8.124 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.560 -9.462 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.823 -10.489 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.976 -10.219 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.650 -7.213 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.027 -7.876 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.250 -6.602 -1.046 1.00 0.00 H new ATOM 1217 N GLU A 79 -5.070 -9.335 -4.664 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.347 -10.133 -5.853 1.00 0.00 C ATOM 1219 C GLU A 79 -4.087 -10.844 -6.348 1.00 0.00 C ATOM 1220 O GLU A 79 -4.147 -11.661 -7.267 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.914 -9.253 -6.966 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.373 -10.039 -8.184 1.00 0.00 C ATOM 1223 CD GLU A 79 -5.720 -9.562 -9.467 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -4.521 -9.213 -9.430 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -6.408 -9.538 -10.510 1.00 0.00 O ATOM 0 H GLU A 79 -5.035 -8.329 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.085 -10.888 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.755 -8.681 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.155 -8.533 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.147 -11.095 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.456 -9.955 -8.279 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.946 -10.527 -5.743 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.682 -11.136 -6.133 1.00 0.00 C ATOM 1234 C ALA A 80 -1.359 -12.350 -5.265 1.00 0.00 C ATOM 1235 O ALA A 80 -1.153 -13.451 -5.773 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.565 -10.109 -6.052 1.00 0.00 C ATOM 0 H ALA A 80 -2.872 -9.852 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.773 -11.482 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.377 -10.572 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.785 -9.278 -6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.485 -9.739 -5.030 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.318 -12.142 -3.951 1.00 0.00 N ATOM 1243 CA VAL A 81 -1.020 -13.223 -3.007 1.00 0.00 C ATOM 1244 C VAL A 81 -1.891 -14.445 -3.281 1.00 0.00 C ATOM 1245 O VAL A 81 -1.448 -15.586 -3.152 1.00 0.00 O ATOM 1246 CB VAL A 81 -1.244 -12.785 -1.543 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.479 -13.693 -0.593 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.844 -11.330 -1.336 1.00 0.00 C ATOM 0 H VAL A 81 -1.487 -11.236 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 81 0.031 -13.475 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.308 -12.872 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.648 -13.370 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.826 -14.719 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.586 -13.641 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.013 -11.051 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.211 -11.205 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.444 -10.692 -1.985 1.00 0.00 H new ATOM 1258 N GLU A 82 -3.135 -14.182 -3.648 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.107 -15.235 -3.936 1.00 0.00 C ATOM 1260 C GLU A 82 -3.588 -16.237 -4.967 1.00 0.00 C ATOM 1261 O GLU A 82 -3.681 -17.448 -4.766 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.407 -14.613 -4.441 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.190 -13.450 -5.397 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.936 -13.623 -6.706 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -7.183 -13.556 -6.691 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.274 -13.825 -7.745 1.00 0.00 O ATOM 0 H GLU A 82 -3.503 -13.237 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.283 -15.778 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.997 -15.380 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.991 -14.268 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.514 -12.526 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.124 -13.347 -5.601 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.053 -15.731 -6.074 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.536 -16.592 -7.133 1.00 0.00 C ATOM 1275 C GLN A 83 -1.020 -16.713 -7.051 1.00 0.00 C ATOM 1276 O GLN A 83 -0.381 -17.272 -7.943 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.941 -16.042 -8.503 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.414 -17.112 -9.473 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.881 -16.535 -10.795 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -3.363 -16.884 -11.856 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -4.865 -15.645 -10.738 1.00 0.00 N ATOM 0 H GLN A 83 -2.966 -14.732 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.966 -17.585 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.735 -15.307 -8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.091 -15.517 -8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.603 -17.817 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.229 -17.675 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.266 -15.385 -9.837 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.220 -15.222 -11.595 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.448 -16.173 -5.980 1.00 0.00 N ATOM 1291 CA ASN A 84 0.990 -16.202 -5.775 1.00 0.00 C ATOM 1292 C ASN A 84 1.673 -15.173 -6.665 1.00 0.00 C ATOM 1293 O ASN A 84 2.875 -15.254 -6.922 1.00 0.00 O ATOM 1294 CB ASN A 84 1.556 -17.601 -6.043 1.00 0.00 C ATOM 1295 CG ASN A 84 2.466 -18.079 -4.929 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.605 -17.629 -4.806 1.00 0.00 O ATOM 1297 ND2 ASN A 84 1.966 -18.997 -4.110 1.00 0.00 N ATOM 0 H ASN A 84 -0.967 -15.707 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 84 1.189 -15.951 -4.733 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.733 -18.306 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.109 -17.592 -6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.532 -19.357 -3.342 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.016 -19.342 -4.249 1.00 0.00 H new ATOM 1304 N THR A 85 0.896 -14.199 -7.125 1.00 0.00 N ATOM 1305 CA THR A 85 1.418 -13.144 -7.977 1.00 0.00 C ATOM 1306 C THR A 85 2.084 -12.058 -7.136 1.00 0.00 C ATOM 1307 O THR A 85 2.875 -11.265 -7.648 1.00 0.00 O ATOM 1308 CB THR A 85 0.298 -12.538 -8.824 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.746 -13.474 -9.019 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.763 -12.077 -10.189 1.00 0.00 C ATOM 0 H THR A 85 -0.100 -14.121 -6.920 1.00 0.00 H new ATOM 0 HA THR A 85 2.165 -13.579 -8.642 1.00 0.00 H new ATOM 0 HB THR A 85 -0.050 -11.670 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.453 -13.067 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.080 -11.658 -10.738 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.535 -11.316 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.169 -12.925 -10.740 1.00 0.00 H new ATOM 1318 N LEU A 86 1.749 -12.034 -5.842 1.00 0.00 N ATOM 1319 CA LEU A 86 2.296 -11.056 -4.898 1.00 0.00 C ATOM 1320 C LEU A 86 3.698 -10.589 -5.289 1.00 0.00 C ATOM 1321 O LEU A 86 4.003 -9.399 -5.218 1.00 0.00 O ATOM 1322 CB LEU A 86 2.327 -11.658 -3.495 1.00 0.00 C ATOM 1323 CG LEU A 86 2.298 -10.646 -2.351 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.089 -11.355 -1.023 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.582 -9.831 -2.329 1.00 0.00 C ATOM 0 H LEU A 86 1.092 -12.691 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 86 1.644 -10.183 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.475 -12.329 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.226 -12.266 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 86 1.463 -9.964 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.071 -10.621 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.142 -11.895 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.904 -12.059 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.544 -9.115 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.434 -10.497 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.689 -9.296 -3.272 1.00 0.00 H new ATOM 1337 N GLN A 87 4.547 -11.525 -5.706 1.00 0.00 N ATOM 1338 CA GLN A 87 5.910 -11.186 -6.108 1.00 0.00 C ATOM 1339 C GLN A 87 5.901 -10.081 -7.158 1.00 0.00 C ATOM 1340 O GLN A 87 6.479 -9.015 -6.956 1.00 0.00 O ATOM 1341 CB GLN A 87 6.636 -12.415 -6.662 1.00 0.00 C ATOM 1342 CG GLN A 87 7.819 -12.068 -7.557 1.00 0.00 C ATOM 1343 CD GLN A 87 8.681 -13.271 -7.883 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.756 -13.702 -9.034 1.00 0.00 O ATOM 1345 NE2 GLN A 87 9.338 -13.821 -6.868 1.00 0.00 N ATOM 0 H GLN A 87 4.318 -12.517 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 87 6.440 -10.833 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.986 -13.026 -5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.928 -13.022 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.451 -11.629 -8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.430 -11.311 -7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.247 -13.431 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.934 -14.633 -7.027 1.00 0.00 H new ATOM 1354 N GLU A 88 5.236 -10.349 -8.280 1.00 0.00 N ATOM 1355 CA GLU A 88 5.143 -9.384 -9.371 1.00 0.00 C ATOM 1356 C GLU A 88 4.819 -7.989 -8.847 1.00 0.00 C ATOM 1357 O GLU A 88 5.143 -6.988 -9.482 1.00 0.00 O ATOM 1358 CB GLU A 88 4.076 -9.823 -10.376 1.00 0.00 C ATOM 1359 CG GLU A 88 4.107 -9.037 -11.677 1.00 0.00 C ATOM 1360 CD GLU A 88 3.244 -9.662 -12.755 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.146 -10.158 -12.424 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.665 -9.656 -13.931 1.00 0.00 O ATOM 0 H GLU A 88 4.753 -11.230 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 88 6.112 -9.346 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.211 -10.882 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.092 -9.715 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.768 -8.018 -11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.135 -8.970 -12.033 1.00 0.00 H new ATOM 1369 N PHE A 89 4.175 -7.930 -7.685 1.00 0.00 N ATOM 1370 CA PHE A 89 3.811 -6.658 -7.081 1.00 0.00 C ATOM 1371 C PHE A 89 4.790 -6.266 -5.977 1.00 0.00 C ATOM 1372 O PHE A 89 4.963 -5.084 -5.682 1.00 0.00 O ATOM 1373 CB PHE A 89 2.391 -6.734 -6.519 1.00 0.00 C ATOM 1374 CG PHE A 89 1.770 -5.392 -6.260 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.099 -4.670 -5.125 1.00 0.00 C ATOM 1376 CD2 PHE A 89 0.854 -4.856 -7.150 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.526 -3.436 -4.883 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.277 -3.623 -6.913 1.00 0.00 C ATOM 1379 CZ PHE A 89 0.614 -2.912 -5.778 1.00 0.00 C ATOM 0 H PHE A 89 3.896 -8.749 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 89 3.854 -5.892 -7.856 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.763 -7.286 -7.218 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.408 -7.302 -5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.811 -5.076 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.588 -5.408 -8.039 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.791 -2.882 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.436 -3.216 -7.614 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.165 -1.948 -5.591 1.00 0.00 H new ATOM 1389 N LEU A 90 5.423 -7.261 -5.366 1.00 0.00 N ATOM 1390 CA LEU A 90 6.376 -7.010 -4.292 1.00 0.00 C ATOM 1391 C LEU A 90 7.805 -6.956 -4.825 1.00 0.00 C ATOM 1392 O LEU A 90 8.417 -5.889 -4.880 1.00 0.00 O ATOM 1393 CB LEU A 90 6.257 -8.092 -3.214 1.00 0.00 C ATOM 1394 CG LEU A 90 5.894 -7.578 -1.820 1.00 0.00 C ATOM 1395 CD1 LEU A 90 7.017 -6.718 -1.260 1.00 0.00 C ATOM 1396 CD2 LEU A 90 4.591 -6.794 -1.862 1.00 0.00 C ATOM 0 H LEU A 90 5.294 -8.246 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 90 6.140 -6.041 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.502 -8.814 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.204 -8.628 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 90 5.757 -8.436 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.742 -6.361 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.930 -7.310 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.186 -5.866 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.349 -6.436 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.700 -5.943 -2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.789 -7.440 -2.220 1.00 0.00 H new