USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 651 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: X 17 GLN : amide:sc= -0.217 X(o=-0.045,f=-0.14) USER MOD Set 1.2: X 20 LYS NZ :NH3+ -151:sc= 0.172 (180deg=0.0059) USER MOD Set 1.3: X 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 6 SER OG : rot 35:sc= 0.542 USER MOD Set 2.2: X 8 HIS : no HD1:sc=-0.000565 X(o=0.54,f=0.5) USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : X 16 LYS NZ :NH3+ 166:sc= -3.14! (180deg=-5.73!) USER MOD Single : X 21 THR OG1 : rot -66:sc= 0.647 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 64 GLN : amide:sc= -8.03! C(o=-8!,f=-9.5!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN :FLIP amide:sc= -2.26 F(o=-3.5,f=-2.3) USER MOD Single : X 69 THR OG1 : rot 84:sc= 0.5 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc=-0.000441 USER MOD Single : X 81 SER OG : rot -35:sc= 0.481 USER MOD Single : X 82 TYR OH : rot 50:sc= -5.04! USER MOD Single : X 84 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : X 87 LYS NZ :NH3+ -159:sc= -3.72! (180deg=-4.49!) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.332 0.594 -8.992 1.00 1.00 N ATOM 79 CA SER X 6 68.754 1.971 -9.217 1.00 1.00 C ATOM 80 C SER X 6 70.204 2.014 -9.692 1.00 1.00 C ATOM 81 O SER X 6 70.917 1.012 -9.634 1.00 1.00 O ATOM 82 CB SER X 6 68.611 2.785 -7.930 1.00 1.00 C ATOM 83 OG SER X 6 69.276 2.113 -6.869 1.00 1.00 O ATOM 0 HA SER X 6 68.116 2.404 -9.988 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.035 3.780 -8.067 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.557 2.918 -7.686 1.00 1.00 H new ATOM 0 HG SER X 6 70.078 1.669 -7.215 1.00 1.00 H new ATOM 89 N GLN X 7 70.630 3.181 -10.162 1.00 1.00 N ATOM 90 CA GLN X 7 71.996 3.349 -10.647 1.00 1.00 C ATOM 91 C GLN X 7 73.004 2.900 -9.593 1.00 1.00 C ATOM 92 O GLN X 7 74.124 2.509 -9.920 1.00 1.00 O ATOM 93 CB GLN X 7 72.250 4.816 -11.002 1.00 1.00 C ATOM 94 CG GLN X 7 71.455 5.182 -12.255 1.00 1.00 C ATOM 95 CD GLN X 7 71.660 6.656 -12.592 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.403 7.354 -11.902 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.044 7.174 -13.620 1.00 1.00 N ATOM 0 H GLN X 7 70.054 4.021 -10.218 1.00 1.00 H new ATOM 0 HA GLN X 7 72.119 2.731 -11.537 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.957 5.458 -10.172 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.314 4.981 -11.172 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.774 4.561 -13.092 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.396 4.981 -12.095 1.00 1.00 H new ATOM 0 HE21 GLN X 7 70.429 6.595 -14.191 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.178 8.158 -13.852 1.00 1.00 H new ATOM 106 N HIS X 8 72.602 2.966 -8.330 1.00 1.00 N ATOM 107 CA HIS X 8 73.484 2.573 -7.235 1.00 1.00 C ATOM 108 C HIS X 8 73.914 1.119 -7.392 1.00 1.00 C ATOM 109 O HIS X 8 75.091 0.788 -7.241 1.00 1.00 O ATOM 110 CB HIS X 8 72.768 2.755 -5.895 1.00 1.00 C ATOM 111 CG HIS X 8 72.449 4.210 -5.687 1.00 1.00 C ATOM 112 ND1 HIS X 8 73.431 5.156 -5.433 1.00 1.00 N ATOM 113 CD2 HIS X 8 71.261 4.897 -5.696 1.00 1.00 C ATOM 114 CE1 HIS X 8 72.821 6.348 -5.300 1.00 1.00 C ATOM 115 NE2 HIS X 8 71.498 6.248 -5.451 1.00 1.00 N ATOM 0 H HIS X 8 71.678 3.285 -8.038 1.00 1.00 H new ATOM 0 HA HIS X 8 74.370 3.207 -7.260 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.851 2.165 -5.878 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.397 2.390 -5.083 1.00 1.00 H new ATOM 0 HD2 HIS X 8 70.290 4.457 -5.867 1.00 1.00 H new ATOM 0 HE1 HIS X 8 73.339 7.274 -5.096 1.00 1.00 H new ATOM 0 HE2 HIS X 8 70.809 6.999 -5.398 1.00 1.00 H new ATOM 123 N GLU X 9 72.955 0.258 -7.709 1.00 1.00 N ATOM 124 CA GLU X 9 73.246 -1.154 -7.897 1.00 1.00 C ATOM 125 C GLU X 9 74.197 -1.342 -9.074 1.00 1.00 C ATOM 126 O GLU X 9 75.097 -2.172 -9.028 1.00 1.00 O ATOM 127 CB GLU X 9 71.948 -1.918 -8.147 1.00 1.00 C ATOM 128 CG GLU X 9 71.108 -1.997 -6.865 1.00 1.00 C ATOM 129 CD GLU X 9 70.340 -0.697 -6.659 1.00 1.00 C ATOM 130 OE1 GLU X 9 70.549 0.221 -7.435 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.552 -0.638 -5.730 1.00 1.00 O ATOM 0 H GLU X 9 71.976 0.512 -7.840 1.00 1.00 H new ATOM 0 HA GLU X 9 73.722 -1.542 -6.997 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.376 -1.425 -8.933 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.175 -2.924 -8.501 1.00 1.00 H new ATOM 0 HG2 GLU X 9 70.412 -2.833 -6.929 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.755 -2.185 -6.008 1.00 1.00 H new ATOM 138 N ARG X 10 74.002 -0.568 -10.127 1.00 1.00 N ATOM 139 CA ARG X 10 74.864 -0.672 -11.292 1.00 1.00 C ATOM 140 C ARG X 10 76.287 -0.221 -10.954 1.00 1.00 C ATOM 141 O ARG X 10 77.260 -0.768 -11.471 1.00 1.00 O ATOM 142 CB ARG X 10 74.313 0.184 -12.425 1.00 1.00 C ATOM 143 CG ARG X 10 72.995 -0.417 -12.909 1.00 1.00 C ATOM 144 CD ARG X 10 72.481 0.386 -14.103 1.00 1.00 C ATOM 145 NE ARG X 10 71.213 -0.162 -14.572 1.00 1.00 N ATOM 146 CZ ARG X 10 70.734 0.143 -15.773 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.403 0.942 -16.558 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.594 -0.355 -16.167 1.00 1.00 N ATOM 0 H ARG X 10 73.264 0.132 -10.200 1.00 1.00 H new ATOM 0 HA ARG X 10 74.892 -1.716 -11.605 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.157 1.207 -12.082 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.030 0.229 -13.245 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.140 -1.459 -13.193 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.260 -0.405 -12.105 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.351 1.430 -13.819 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.215 0.364 -14.908 1.00 1.00 H new ATOM 0 HE ARG X 10 70.685 -0.791 -13.967 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.293 1.332 -16.250 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.036 1.176 -17.480 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.070 -0.979 -15.553 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.227 -0.121 -17.089 1.00 1.00 H new ATOM 162 N TYR X 11 76.394 0.790 -10.096 1.00 1.00 N ATOM 163 CA TYR X 11 77.699 1.326 -9.708 1.00 1.00 C ATOM 164 C TYR X 11 78.574 0.249 -9.069 1.00 1.00 C ATOM 165 O TYR X 11 79.745 0.091 -9.425 1.00 1.00 O ATOM 166 CB TYR X 11 77.506 2.471 -8.712 1.00 1.00 C ATOM 167 CG TYR X 11 78.855 2.954 -8.235 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.640 3.763 -9.065 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.321 2.588 -6.968 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.893 4.207 -8.626 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.575 3.032 -6.529 1.00 1.00 C ATOM 172 CZ TYR X 11 81.361 3.841 -7.358 1.00 1.00 C ATOM 173 OH TYR X 11 82.596 4.278 -6.924 1.00 1.00 O ATOM 0 H TYR X 11 75.598 1.254 -9.657 1.00 1.00 H new ATOM 0 HA TYR X 11 78.197 1.687 -10.608 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.960 3.289 -9.183 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.908 2.134 -7.865 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.279 4.044 -10.043 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.715 1.964 -6.329 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.499 4.832 -9.265 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.935 2.750 -5.551 1.00 1.00 H new ATOM 0 HH TYR X 11 82.766 3.934 -6.022 1.00 1.00 H new ATOM 183 N VAL X 12 78.001 -0.485 -8.123 1.00 1.00 N ATOM 184 CA VAL X 12 78.746 -1.535 -7.437 1.00 1.00 C ATOM 185 C VAL X 12 79.162 -2.615 -8.427 1.00 1.00 C ATOM 186 O VAL X 12 80.275 -3.136 -8.363 1.00 1.00 O ATOM 187 CB VAL X 12 77.896 -2.147 -6.306 1.00 1.00 C ATOM 188 CG1 VAL X 12 77.145 -3.402 -6.789 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.806 -2.521 -5.137 1.00 1.00 C ATOM 0 H VAL X 12 77.035 -0.376 -7.816 1.00 1.00 H new ATOM 0 HA VAL X 12 79.642 -1.096 -6.998 1.00 1.00 H new ATOM 0 HB VAL X 12 77.160 -1.407 -5.991 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.554 -3.811 -5.969 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.485 -3.136 -7.614 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.864 -4.149 -7.126 1.00 1.00 H new ATOM 0 HG21 VAL X 12 78.208 -2.954 -4.335 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.547 -3.248 -5.471 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.313 -1.628 -4.770 1.00 1.00 H new ATOM 199 N GLU X 13 78.254 -2.952 -9.334 1.00 1.00 N ATOM 200 CA GLU X 13 78.528 -3.981 -10.328 1.00 1.00 C ATOM 201 C GLU X 13 79.797 -3.655 -11.094 1.00 1.00 C ATOM 202 O GLU X 13 80.578 -4.546 -11.427 1.00 1.00 O ATOM 203 CB GLU X 13 77.353 -4.099 -11.303 1.00 1.00 C ATOM 204 CG GLU X 13 76.177 -4.793 -10.613 1.00 1.00 C ATOM 205 CD GLU X 13 74.969 -4.819 -11.543 1.00 1.00 C ATOM 206 OE1 GLU X 13 75.065 -4.258 -12.622 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.967 -5.404 -11.166 1.00 1.00 O ATOM 0 H GLU X 13 77.327 -2.531 -9.402 1.00 1.00 H new ATOM 0 HA GLU X 13 78.662 -4.931 -9.811 1.00 1.00 H new ATOM 0 HB2 GLU X 13 77.053 -3.109 -11.647 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.655 -4.665 -12.185 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.455 -5.810 -10.336 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.925 -4.269 -9.691 1.00 1.00 H new ATOM 214 N GLN X 14 80.003 -2.376 -11.366 1.00 1.00 N ATOM 215 CA GLN X 14 81.190 -1.958 -12.090 1.00 1.00 C ATOM 216 C GLN X 14 82.440 -2.222 -11.264 1.00 1.00 C ATOM 217 O GLN X 14 83.435 -2.738 -11.773 1.00 1.00 O ATOM 218 CB GLN X 14 81.107 -0.466 -12.422 1.00 1.00 C ATOM 219 CG GLN X 14 79.982 -0.225 -13.429 1.00 1.00 C ATOM 220 CD GLN X 14 79.902 1.259 -13.779 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.626 2.092 -12.917 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.134 1.637 -15.006 1.00 1.00 N ATOM 0 H GLN X 14 79.373 -1.620 -11.100 1.00 1.00 H new ATOM 0 HA GLN X 14 81.246 -2.533 -13.014 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.925 0.109 -11.514 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.056 -0.121 -12.833 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.159 -0.811 -14.331 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.032 -0.560 -13.012 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.363 0.944 -15.719 1.00 1.00 H new ATOM 0 HE22 GLN X 14 80.087 2.626 -15.253 1.00 1.00 H new ATOM 231 N LEU X 15 82.383 -1.865 -9.986 1.00 1.00 N ATOM 232 CA LEU X 15 83.525 -2.072 -9.109 1.00 1.00 C ATOM 233 C LEU X 15 83.804 -3.550 -8.960 1.00 1.00 C ATOM 234 O LEU X 15 84.950 -3.974 -8.982 1.00 1.00 O ATOM 235 CB LEU X 15 83.257 -1.484 -7.730 1.00 1.00 C ATOM 236 CG LEU X 15 83.085 0.038 -7.860 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.644 0.632 -6.525 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.408 0.693 -8.286 1.00 1.00 C ATOM 0 H LEU X 15 81.571 -1.437 -9.541 1.00 1.00 H new ATOM 0 HA LEU X 15 84.386 -1.574 -9.554 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.360 -1.929 -7.299 1.00 1.00 H new ATOM 0 HB3 LEU X 15 84.082 -1.713 -7.056 1.00 1.00 H new ATOM 0 HG LEU X 15 82.325 0.232 -8.617 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.525 1.711 -6.628 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.694 0.189 -6.226 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.398 0.421 -5.766 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.269 1.771 -8.373 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.174 0.485 -7.539 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.721 0.288 -9.248 1.00 1.00 H new ATOM 250 N LYS X 16 82.744 -4.327 -8.802 1.00 1.00 N ATOM 251 CA LYS X 16 82.893 -5.756 -8.633 1.00 1.00 C ATOM 252 C LYS X 16 83.589 -6.381 -9.825 1.00 1.00 C ATOM 253 O LYS X 16 84.501 -7.174 -9.652 1.00 1.00 O ATOM 254 CB LYS X 16 81.524 -6.400 -8.472 1.00 1.00 C ATOM 255 CG LYS X 16 80.991 -6.111 -7.075 1.00 1.00 C ATOM 256 CD LYS X 16 79.562 -6.642 -6.953 1.00 1.00 C ATOM 257 CE LYS X 16 79.006 -6.302 -5.570 1.00 1.00 C ATOM 258 NZ LYS X 16 77.565 -6.685 -5.507 1.00 1.00 N ATOM 0 H LYS X 16 81.781 -3.992 -8.788 1.00 1.00 H new ATOM 0 HA LYS X 16 83.499 -5.926 -7.743 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.836 -6.012 -9.223 1.00 1.00 H new ATOM 0 HB3 LYS X 16 81.595 -7.476 -8.631 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.630 -6.580 -6.327 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.009 -5.038 -6.882 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.933 -6.203 -7.727 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.550 -7.721 -7.106 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.568 -6.830 -4.800 1.00 1.00 H new ATOM 0 HE3 LYS X 16 79.119 -5.236 -5.372 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 77.247 -6.680 -4.517 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 77.001 -6.005 -6.055 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 77.441 -7.638 -5.905 1.00 1.00 H new ATOM 272 N GLN X 17 83.156 -6.035 -11.029 1.00 1.00 N ATOM 273 CA GLN X 17 83.761 -6.611 -12.225 1.00 1.00 C ATOM 274 C GLN X 17 85.216 -6.161 -12.399 1.00 1.00 C ATOM 275 O GLN X 17 86.124 -6.984 -12.570 1.00 1.00 O ATOM 276 CB GLN X 17 82.951 -6.197 -13.449 1.00 1.00 C ATOM 277 CG GLN X 17 81.558 -6.825 -13.379 1.00 1.00 C ATOM 278 CD GLN X 17 81.652 -8.335 -13.581 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.207 -8.791 -14.579 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.136 -9.138 -12.692 1.00 1.00 N ATOM 0 H GLN X 17 82.402 -5.371 -11.204 1.00 1.00 H new ATOM 0 HA GLN X 17 83.757 -7.696 -12.116 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.869 -5.111 -13.493 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.459 -6.516 -14.359 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.101 -6.607 -12.414 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.915 -6.388 -14.143 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.676 -8.756 -11.865 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.192 -10.148 -12.823 1.00 1.00 H new ATOM 289 N ALA X 18 85.426 -4.850 -12.367 1.00 1.00 N ATOM 290 CA ALA X 18 86.763 -4.294 -12.540 1.00 1.00 C ATOM 291 C ALA X 18 87.709 -4.795 -11.452 1.00 1.00 C ATOM 292 O ALA X 18 88.837 -5.200 -11.734 1.00 1.00 O ATOM 293 CB ALA X 18 86.692 -2.766 -12.501 1.00 1.00 C ATOM 0 H ALA X 18 84.693 -4.156 -12.224 1.00 1.00 H new ATOM 0 HA ALA X 18 87.150 -4.620 -13.506 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.692 -2.352 -12.630 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.046 -2.411 -13.304 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.288 -2.445 -11.541 1.00 1.00 H new ATOM 299 N LEU X 19 87.243 -4.763 -10.209 1.00 1.00 N ATOM 300 CA LEU X 19 88.051 -5.212 -9.081 1.00 1.00 C ATOM 301 C LEU X 19 88.177 -6.734 -9.075 1.00 1.00 C ATOM 302 O LEU X 19 89.149 -7.278 -8.551 1.00 1.00 O ATOM 303 CB LEU X 19 87.429 -4.715 -7.769 1.00 1.00 C ATOM 304 CG LEU X 19 87.416 -3.174 -7.748 1.00 1.00 C ATOM 305 CD1 LEU X 19 86.600 -2.682 -6.558 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.836 -2.609 -7.615 1.00 1.00 C ATOM 0 H LEU X 19 86.312 -4.432 -9.957 1.00 1.00 H new ATOM 0 HA LEU X 19 89.053 -4.795 -9.179 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.413 -5.098 -7.670 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.997 -5.095 -6.920 1.00 1.00 H new ATOM 0 HG LEU X 19 86.978 -2.835 -8.686 1.00 1.00 H new ATOM 0 HD11 LEU X 19 86.593 -1.592 -6.547 1.00 1.00 H new ATOM 0 HD12 LEU X 19 85.577 -3.050 -6.641 1.00 1.00 H new ATOM 0 HD13 LEU X 19 87.045 -3.051 -5.634 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.795 -1.520 -7.603 1.00 1.00 H new ATOM 0 HD22 LEU X 19 89.284 -2.965 -6.687 1.00 1.00 H new ATOM 0 HD23 LEU X 19 89.440 -2.940 -8.460 1.00 1.00 H new ATOM 318 N LYS X 20 87.202 -7.417 -9.657 1.00 1.00 N ATOM 319 CA LYS X 20 87.240 -8.874 -9.701 1.00 1.00 C ATOM 320 C LYS X 20 88.491 -9.359 -10.415 1.00 1.00 C ATOM 321 O LYS X 20 89.137 -10.310 -9.974 1.00 1.00 O ATOM 322 CB LYS X 20 86.010 -9.412 -10.425 1.00 1.00 C ATOM 323 CG LYS X 20 85.001 -9.938 -9.401 1.00 1.00 C ATOM 324 CD LYS X 20 83.688 -10.272 -10.111 1.00 1.00 C ATOM 325 CE LYS X 20 82.688 -10.832 -9.099 1.00 1.00 C ATOM 326 NZ LYS X 20 81.409 -11.156 -9.792 1.00 1.00 N ATOM 0 H LYS X 20 86.386 -6.995 -10.100 1.00 1.00 H new ATOM 0 HA LYS X 20 87.251 -9.241 -8.675 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.556 -8.624 -11.026 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.298 -10.210 -11.109 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.396 -10.825 -8.906 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.829 -9.191 -8.626 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.281 -9.378 -10.584 1.00 1.00 H new ATOM 0 HD3 LYS X 20 83.866 -10.999 -10.903 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.095 -11.726 -8.626 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.511 -10.105 -8.306 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 80.618 -11.059 -9.124 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.271 -10.503 -10.589 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 81.444 -12.133 -10.147 1.00 1.00 H new ATOM 340 N THR X 21 88.829 -8.704 -11.514 1.00 1.00 N ATOM 341 CA THR X 21 90.012 -9.091 -12.273 1.00 1.00 C ATOM 342 C THR X 21 91.281 -8.816 -11.471 1.00 1.00 C ATOM 343 O THR X 21 92.363 -9.277 -11.834 1.00 1.00 O ATOM 344 CB THR X 21 90.060 -8.323 -13.593 1.00 1.00 C ATOM 345 OG1 THR X 21 90.099 -6.928 -13.323 1.00 1.00 O ATOM 346 CG2 THR X 21 88.817 -8.651 -14.419 1.00 1.00 C ATOM 0 H THR X 21 88.311 -7.913 -11.898 1.00 1.00 H new ATOM 0 HA THR X 21 89.954 -10.160 -12.478 1.00 1.00 H new ATOM 0 HB THR X 21 90.950 -8.611 -14.152 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.258 -6.653 -12.902 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.851 -8.103 -15.361 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.788 -9.721 -14.623 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.925 -8.363 -13.864 1.00 1.00 H new ATOM 354 N ARG X 22 91.149 -8.053 -10.389 1.00 1.00 N ATOM 355 CA ARG X 22 92.304 -7.720 -9.562 1.00 1.00 C ATOM 356 C ARG X 22 92.513 -8.770 -8.472 1.00 1.00 C ATOM 357 O ARG X 22 93.494 -8.718 -7.732 1.00 1.00 O ATOM 358 CB ARG X 22 92.109 -6.351 -8.920 1.00 1.00 C ATOM 359 CG ARG X 22 91.799 -5.333 -10.013 1.00 1.00 C ATOM 360 CD ARG X 22 91.745 -3.933 -9.408 1.00 1.00 C ATOM 361 NE ARG X 22 91.213 -2.988 -10.379 1.00 1.00 N ATOM 362 CZ ARG X 22 91.906 -2.645 -11.460 1.00 1.00 C ATOM 363 NH1 ARG X 22 93.083 -3.166 -11.672 1.00 1.00 N ATOM 364 NH2 ARG X 22 91.410 -1.786 -12.309 1.00 1.00 N ATOM 0 H ARG X 22 90.265 -7.658 -10.068 1.00 1.00 H new ATOM 0 HA ARG X 22 93.186 -7.700 -10.202 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.295 -6.387 -8.196 1.00 1.00 H new ATOM 0 HB3 ARG X 22 93.007 -6.058 -8.376 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.562 -5.375 -10.790 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.847 -5.572 -10.487 1.00 1.00 H new ATOM 0 HD2 ARG X 22 91.121 -3.938 -8.515 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.743 -3.624 -9.097 1.00 1.00 H new ATOM 0 HE ARG X 22 90.290 -2.581 -10.227 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.471 -3.836 -11.008 1.00 1.00 H new ATOM 0 HH12 ARG X 22 93.615 -2.903 -12.501 1.00 1.00 H new ATOM 0 HH21 ARG X 22 90.490 -1.378 -12.143 1.00 1.00 H new ATOM 0 HH22 ARG X 22 91.942 -1.523 -13.138 1.00 1.00 H new ATOM 378 N GLY X 23 91.585 -9.721 -8.383 1.00 1.00 N ATOM 379 CA GLY X 23 91.681 -10.780 -7.379 1.00 1.00 C ATOM 380 C GLY X 23 90.624 -10.626 -6.293 1.00 1.00 C ATOM 381 O GLY X 23 90.784 -11.134 -5.183 1.00 1.00 O ATOM 0 H GLY X 23 90.765 -9.781 -8.987 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.567 -11.750 -7.862 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.672 -10.763 -6.926 1.00 1.00 H new ATOM 385 N VAL X 24 89.543 -9.927 -6.617 1.00 1.00 N ATOM 386 CA VAL X 24 88.470 -9.724 -5.653 1.00 1.00 C ATOM 387 C VAL X 24 87.323 -10.699 -5.906 1.00 1.00 C ATOM 388 O VAL X 24 86.738 -10.719 -6.986 1.00 1.00 O ATOM 389 CB VAL X 24 87.958 -8.286 -5.752 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.627 -8.153 -5.008 1.00 1.00 C ATOM 391 CG2 VAL X 24 88.991 -7.344 -5.131 1.00 1.00 C ATOM 0 H VAL X 24 89.387 -9.496 -7.528 1.00 1.00 H new ATOM 0 HA VAL X 24 88.862 -9.906 -4.652 1.00 1.00 H new ATOM 0 HB VAL X 24 87.804 -8.026 -6.799 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.269 -7.126 -5.083 1.00 1.00 H new ATOM 0 HG12 VAL X 24 85.893 -8.826 -5.451 1.00 1.00 H new ATOM 0 HG13 VAL X 24 86.769 -8.412 -3.959 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.633 -6.317 -5.198 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.142 -7.608 -4.084 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.935 -7.435 -5.668 1.00 1.00 H new ATOM 401 N LYS X 25 87.001 -11.500 -4.897 1.00 1.00 N ATOM 402 CA LYS X 25 85.915 -12.464 -5.025 1.00 1.00 C ATOM 403 C LYS X 25 85.103 -12.531 -3.736 1.00 1.00 C ATOM 404 O LYS X 25 85.449 -13.267 -2.811 1.00 1.00 O ATOM 405 CB LYS X 25 86.472 -13.850 -5.355 1.00 1.00 C ATOM 406 CG LYS X 25 87.082 -13.832 -6.756 1.00 1.00 C ATOM 407 CD LYS X 25 87.596 -15.230 -7.105 1.00 1.00 C ATOM 408 CE LYS X 25 88.214 -15.216 -8.505 1.00 1.00 C ATOM 409 NZ LYS X 25 88.730 -16.576 -8.834 1.00 1.00 N ATOM 0 H LYS X 25 87.470 -11.502 -3.991 1.00 1.00 H new ATOM 0 HA LYS X 25 85.263 -12.138 -5.836 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.226 -14.135 -4.622 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.678 -14.595 -5.302 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.337 -13.514 -7.485 1.00 1.00 H new ATOM 0 HG3 LYS X 25 87.898 -13.111 -6.800 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.338 -15.549 -6.373 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.778 -15.950 -7.065 1.00 1.00 H new ATOM 0 HE2 LYS X 25 87.469 -14.910 -9.240 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.024 -14.488 -8.550 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.150 -16.567 -9.785 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.453 -16.851 -8.139 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 87.947 -17.260 -8.808 1.00 1.00 H new ATOM 423 N VAL X 26 84.025 -11.757 -3.680 1.00 1.00 N ATOM 424 CA VAL X 26 83.168 -11.738 -2.498 1.00 1.00 C ATOM 425 C VAL X 26 81.694 -11.657 -2.894 1.00 1.00 C ATOM 426 O VAL X 26 81.369 -11.314 -4.030 1.00 1.00 O ATOM 427 CB VAL X 26 83.533 -10.547 -1.610 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.954 -10.730 -1.074 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.463 -9.258 -2.432 1.00 1.00 C ATOM 0 H VAL X 26 83.724 -11.138 -4.433 1.00 1.00 H new ATOM 0 HA VAL X 26 83.325 -12.664 -1.946 1.00 1.00 H new ATOM 0 HB VAL X 26 82.833 -10.486 -0.777 1.00 1.00 H new ATOM 0 HG11 VAL X 26 85.216 -9.882 -0.441 1.00 1.00 H new ATOM 0 HG12 VAL X 26 85.007 -11.649 -0.490 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.653 -10.789 -1.908 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.723 -8.409 -1.800 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.164 -9.319 -3.264 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.452 -9.127 -2.818 1.00 1.00 H new ATOM 439 N LYS X 27 80.806 -11.969 -1.951 1.00 1.00 N ATOM 440 CA LYS X 27 79.375 -11.922 -2.221 1.00 1.00 C ATOM 441 C LYS X 27 78.984 -10.548 -2.758 1.00 1.00 C ATOM 442 O LYS X 27 79.555 -9.533 -2.360 1.00 1.00 O ATOM 443 CB LYS X 27 78.609 -12.201 -0.931 1.00 1.00 C ATOM 444 CG LYS X 27 78.964 -13.600 -0.429 1.00 1.00 C ATOM 445 CD LYS X 27 78.281 -13.841 0.913 1.00 1.00 C ATOM 446 CE LYS X 27 78.714 -15.199 1.465 1.00 1.00 C ATOM 447 NZ LYS X 27 78.021 -15.457 2.761 1.00 1.00 N ATOM 0 H LYS X 27 81.052 -12.254 -1.003 1.00 1.00 H new ATOM 0 HA LYS X 27 79.128 -12.676 -2.968 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.860 -11.456 -0.176 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.536 -12.126 -1.108 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.645 -14.350 -1.152 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.044 -13.698 -0.323 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.544 -13.050 1.615 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.198 -13.813 0.793 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.475 -15.986 0.750 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.794 -15.217 1.609 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.317 -16.381 3.135 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 78.270 -14.712 3.442 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.992 -15.458 2.610 1.00 1.00 H new ATOM 461 N TYR X 28 78.012 -10.523 -3.665 1.00 1.00 N ATOM 462 CA TYR X 28 77.562 -9.265 -4.251 1.00 1.00 C ATOM 463 C TYR X 28 77.080 -8.308 -3.169 1.00 1.00 C ATOM 464 O TYR X 28 77.438 -7.131 -3.156 1.00 1.00 O ATOM 465 CB TYR X 28 76.428 -9.526 -5.239 1.00 1.00 C ATOM 466 CG TYR X 28 76.992 -9.629 -6.633 1.00 1.00 C ATOM 467 CD1 TYR X 28 77.711 -10.768 -7.015 1.00 1.00 C ATOM 468 CD2 TYR X 28 76.796 -8.586 -7.547 1.00 1.00 C ATOM 469 CE1 TYR X 28 78.233 -10.864 -8.310 1.00 1.00 C ATOM 470 CE2 TYR X 28 77.318 -8.683 -8.841 1.00 1.00 C ATOM 471 CZ TYR X 28 78.037 -9.822 -9.223 1.00 1.00 C ATOM 472 OH TYR X 28 78.553 -9.917 -10.500 1.00 1.00 O ATOM 0 H TYR X 28 77.525 -11.351 -4.008 1.00 1.00 H new ATOM 0 HA TYR X 28 78.404 -8.811 -4.773 1.00 1.00 H new ATOM 0 HB2 TYR X 28 75.907 -10.447 -4.977 1.00 1.00 H new ATOM 0 HB3 TYR X 28 75.695 -8.720 -5.190 1.00 1.00 H new ATOM 0 HD1 TYR X 28 77.863 -11.572 -6.310 1.00 1.00 H new ATOM 0 HD2 TYR X 28 76.242 -7.707 -7.253 1.00 1.00 H new ATOM 0 HE1 TYR X 28 78.787 -11.743 -8.605 1.00 1.00 H new ATOM 0 HE2 TYR X 28 77.166 -7.879 -9.546 1.00 1.00 H new ATOM 0 HH TYR X 28 78.326 -9.109 -11.006 1.00 1.00 H new ATOM 482 N ALA X 29 76.274 -8.823 -2.256 1.00 1.00 N ATOM 483 CA ALA X 29 75.756 -8.011 -1.172 1.00 1.00 C ATOM 484 C ALA X 29 76.899 -7.445 -0.334 1.00 1.00 C ATOM 485 O ALA X 29 76.758 -6.413 0.311 1.00 1.00 O ATOM 486 CB ALA X 29 74.830 -8.843 -0.285 1.00 1.00 C ATOM 0 H ALA X 29 75.966 -9.795 -2.245 1.00 1.00 H new ATOM 0 HA ALA X 29 75.192 -7.184 -1.603 1.00 1.00 H new ATOM 0 HB1 ALA X 29 74.448 -8.222 0.525 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.997 -9.218 -0.879 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.385 -9.683 0.133 1.00 1.00 H new ATOM 492 N ASP X 30 78.028 -8.131 -0.320 1.00 1.00 N ATOM 493 CA ASP X 30 79.145 -7.666 0.487 1.00 1.00 C ATOM 494 C ASP X 30 79.426 -6.187 0.235 1.00 1.00 C ATOM 495 O ASP X 30 79.432 -5.384 1.165 1.00 1.00 O ATOM 496 CB ASP X 30 80.389 -8.473 0.135 1.00 1.00 C ATOM 497 CG ASP X 30 81.480 -8.242 1.173 1.00 1.00 C ATOM 498 OD1 ASP X 30 81.145 -7.898 2.294 1.00 1.00 O ATOM 499 OD2 ASP X 30 82.638 -8.417 0.830 1.00 1.00 O ATOM 0 H ASP X 30 78.196 -8.990 -0.843 1.00 1.00 H new ATOM 0 HA ASP X 30 78.888 -7.798 1.538 1.00 1.00 H new ATOM 0 HB2 ASP X 30 80.141 -9.533 0.087 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.750 -8.185 -0.852 1.00 1.00 H new ATOM 504 N LEU X 31 79.649 -5.828 -1.020 1.00 1.00 N ATOM 505 CA LEU X 31 79.918 -4.438 -1.366 1.00 1.00 C ATOM 506 C LEU X 31 78.659 -3.584 -1.374 1.00 1.00 C ATOM 507 O LEU X 31 78.666 -2.465 -0.874 1.00 1.00 O ATOM 508 CB LEU X 31 80.585 -4.348 -2.742 1.00 1.00 C ATOM 509 CG LEU X 31 82.108 -4.436 -2.604 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.738 -4.691 -3.973 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.649 -3.122 -2.037 1.00 1.00 C ATOM 0 H LEU X 31 79.650 -6.472 -1.811 1.00 1.00 H new ATOM 0 HA LEU X 31 80.585 -4.052 -0.595 1.00 1.00 H new ATOM 0 HB2 LEU X 31 80.224 -5.154 -3.381 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.311 -3.410 -3.225 1.00 1.00 H new ATOM 0 HG LEU X 31 82.358 -5.256 -1.931 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.821 -4.753 -3.869 1.00 1.00 H new ATOM 0 HD12 LEU X 31 82.358 -5.629 -4.379 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.484 -3.874 -4.648 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.733 -3.187 -1.940 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.393 -2.303 -2.709 1.00 1.00 H new ATOM 0 HD23 LEU X 31 82.207 -2.939 -1.058 1.00 1.00 H new ATOM 523 N LEU X 32 77.592 -4.095 -1.980 1.00 1.00 N ATOM 524 CA LEU X 32 76.362 -3.327 -2.086 1.00 1.00 C ATOM 525 C LEU X 32 75.817 -2.973 -0.708 1.00 1.00 C ATOM 526 O LEU X 32 75.540 -1.806 -0.418 1.00 1.00 O ATOM 527 CB LEU X 32 75.334 -4.151 -2.865 1.00 1.00 C ATOM 528 CG LEU X 32 74.129 -3.286 -3.228 1.00 1.00 C ATOM 529 CD1 LEU X 32 74.371 -2.640 -4.586 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.874 -4.156 -3.305 1.00 1.00 C ATOM 0 H LEU X 32 77.556 -5.024 -2.399 1.00 1.00 H new ATOM 0 HA LEU X 32 76.567 -2.394 -2.610 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.789 -4.551 -3.771 1.00 1.00 H new ATOM 0 HB3 LEU X 32 75.012 -5.003 -2.267 1.00 1.00 H new ATOM 0 HG LEU X 32 73.992 -2.518 -2.467 1.00 1.00 H new ATOM 0 HD11 LEU X 32 73.514 -2.021 -4.852 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.267 -2.020 -4.540 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.505 -3.416 -5.339 1.00 1.00 H new ATOM 0 HD21 LEU X 32 72.016 -3.535 -3.564 1.00 1.00 H new ATOM 0 HD22 LEU X 32 73.010 -4.924 -4.067 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.700 -4.630 -2.339 1.00 1.00 H new ATOM 542 N LYS X 33 75.679 -3.974 0.142 1.00 1.00 N ATOM 543 CA LYS X 33 75.182 -3.751 1.480 1.00 1.00 C ATOM 544 C LYS X 33 76.167 -2.905 2.270 1.00 1.00 C ATOM 545 O LYS X 33 75.768 -2.025 3.032 1.00 1.00 O ATOM 546 CB LYS X 33 74.970 -5.096 2.179 1.00 1.00 C ATOM 547 CG LYS X 33 74.064 -5.989 1.321 1.00 1.00 C ATOM 548 CD LYS X 33 72.715 -5.321 1.103 1.00 1.00 C ATOM 549 CE LYS X 33 71.719 -6.367 0.617 1.00 1.00 C ATOM 550 NZ LYS X 33 70.398 -5.719 0.400 1.00 1.00 N ATOM 0 H LYS X 33 75.904 -4.945 -0.073 1.00 1.00 H new ATOM 0 HA LYS X 33 74.232 -3.220 1.424 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.930 -5.586 2.343 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.520 -4.940 3.159 1.00 1.00 H new ATOM 0 HG2 LYS X 33 74.540 -6.184 0.360 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.925 -6.953 1.810 1.00 1.00 H new ATOM 0 HD2 LYS X 33 72.364 -4.869 2.031 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.806 -4.518 0.371 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.072 -6.820 -0.309 1.00 1.00 H new ATOM 0 HE3 LYS X 33 71.628 -7.169 1.350 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 69.714 -6.428 0.068 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.063 -5.306 1.294 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.493 -4.969 -0.314 1.00 1.00 H new ATOM 564 N PHE X 34 77.459 -3.176 2.103 1.00 1.00 N ATOM 565 CA PHE X 34 78.451 -2.423 2.838 1.00 1.00 C ATOM 566 C PHE X 34 78.406 -0.938 2.476 1.00 1.00 C ATOM 567 O PHE X 34 78.482 -0.067 3.350 1.00 1.00 O ATOM 568 CB PHE X 34 79.859 -2.971 2.569 1.00 1.00 C ATOM 569 CG PHE X 34 80.913 -2.088 3.233 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.623 -1.380 4.406 1.00 1.00 C ATOM 571 CD2 PHE X 34 82.182 -1.985 2.649 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.601 -0.571 4.995 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.159 -1.174 3.239 1.00 1.00 C ATOM 574 CZ PHE X 34 82.869 -0.467 4.411 1.00 1.00 C ATOM 0 H PHE X 34 77.829 -3.894 1.480 1.00 1.00 H new ATOM 0 HA PHE X 34 78.218 -2.530 3.897 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.938 -3.990 2.949 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.039 -3.017 1.495 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.644 -1.458 4.856 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.407 -2.531 1.744 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.378 -0.027 5.901 1.00 1.00 H new ATOM 0 HE2 PHE X 34 84.138 -1.094 2.789 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.623 0.159 4.865 1.00 1.00 H new ATOM 584 N PHE X 35 78.295 -0.655 1.178 1.00 1.00 N ATOM 585 CA PHE X 35 78.262 0.725 0.701 1.00 1.00 C ATOM 586 C PHE X 35 77.101 1.467 1.333 1.00 1.00 C ATOM 587 O PHE X 35 77.203 2.651 1.652 1.00 1.00 O ATOM 588 CB PHE X 35 78.130 0.758 -0.830 1.00 1.00 C ATOM 589 CG PHE X 35 79.281 1.535 -1.435 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.561 2.828 -0.977 1.00 1.00 C ATOM 591 CD2 PHE X 35 80.058 0.969 -2.453 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.619 3.554 -1.535 1.00 1.00 C ATOM 593 CE2 PHE X 35 81.116 1.696 -3.011 1.00 1.00 C ATOM 594 CZ PHE X 35 81.397 2.989 -2.552 1.00 1.00 C ATOM 0 H PHE X 35 78.227 -1.359 0.443 1.00 1.00 H new ATOM 0 HA PHE X 35 79.194 1.213 0.985 1.00 1.00 H new ATOM 0 HB2 PHE X 35 78.120 -0.258 -1.224 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.183 1.218 -1.111 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.960 3.265 -0.193 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.841 -0.028 -2.807 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.835 4.551 -1.181 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.716 1.260 -3.796 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.213 3.550 -2.983 1.00 1.00 H new ATOM 604 N ASP X 36 76.003 0.762 1.521 1.00 1.00 N ATOM 605 CA ASP X 36 74.837 1.362 2.135 1.00 1.00 C ATOM 606 C ASP X 36 75.070 1.581 3.627 1.00 1.00 C ATOM 607 O ASP X 36 74.426 2.427 4.243 1.00 1.00 O ATOM 608 CB ASP X 36 73.619 0.467 1.925 1.00 1.00 C ATOM 609 CG ASP X 36 73.151 0.550 0.474 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.520 1.503 -0.192 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.425 -0.336 0.053 1.00 1.00 O ATOM 0 H ASP X 36 75.894 -0.218 1.260 1.00 1.00 H new ATOM 0 HA ASP X 36 74.657 2.329 1.666 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.868 -0.564 2.177 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.814 0.773 2.593 1.00 1.00 H new ATOM 616 N PHE X 37 75.983 0.803 4.206 1.00 1.00 N ATOM 617 CA PHE X 37 76.267 0.922 5.632 1.00 1.00 C ATOM 618 C PHE X 37 76.856 2.293 5.961 1.00 1.00 C ATOM 619 O PHE X 37 76.342 3.011 6.824 1.00 1.00 O ATOM 620 CB PHE X 37 77.286 -0.143 6.027 1.00 1.00 C ATOM 621 CG PHE X 37 77.330 -0.277 7.527 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.975 0.692 8.305 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.712 -1.371 8.143 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.002 0.566 9.699 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.739 -1.497 9.537 1.00 1.00 C ATOM 626 CZ PHE X 37 77.385 -0.528 10.315 1.00 1.00 C ATOM 0 H PHE X 37 76.530 0.094 3.717 1.00 1.00 H new ATOM 0 HA PHE X 37 75.333 0.794 6.179 1.00 1.00 H new ATOM 0 HB2 PHE X 37 77.020 -1.099 5.575 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.272 0.126 5.648 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.452 1.537 7.830 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.214 -2.118 7.543 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.499 1.314 10.299 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.262 -2.341 10.012 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.407 -0.625 11.390 1.00 1.00 H new ATOM 636 N VAL X 38 77.938 2.651 5.267 1.00 1.00 N ATOM 637 CA VAL X 38 78.585 3.945 5.509 1.00 1.00 C ATOM 638 C VAL X 38 77.704 5.076 5.009 1.00 1.00 C ATOM 639 O VAL X 38 77.586 6.103 5.656 1.00 1.00 O ATOM 640 CB VAL X 38 79.943 4.032 4.810 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.720 4.053 3.303 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.661 5.327 5.228 1.00 1.00 C ATOM 0 H VAL X 38 78.379 2.078 4.547 1.00 1.00 H new ATOM 0 HA VAL X 38 78.736 4.036 6.585 1.00 1.00 H new ATOM 0 HB VAL X 38 80.553 3.173 5.090 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.682 4.115 2.794 1.00 1.00 H new ATOM 0 HG12 VAL X 38 79.206 3.141 2.998 1.00 1.00 H new ATOM 0 HG13 VAL X 38 79.112 4.918 3.037 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.628 5.385 4.728 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.054 6.187 4.945 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.811 5.328 6.308 1.00 1.00 H new ATOM 652 N LYS X 39 77.090 4.885 3.851 1.00 1.00 N ATOM 653 CA LYS X 39 76.223 5.918 3.288 1.00 1.00 C ATOM 654 C LYS X 39 75.023 6.185 4.190 1.00 1.00 C ATOM 655 O LYS X 39 74.583 7.327 4.330 1.00 1.00 O ATOM 656 CB LYS X 39 75.741 5.513 1.896 1.00 1.00 C ATOM 657 CG LYS X 39 76.857 5.745 0.878 1.00 1.00 C ATOM 658 CD LYS X 39 76.376 5.315 -0.510 1.00 1.00 C ATOM 659 CE LYS X 39 77.434 5.677 -1.555 1.00 1.00 C ATOM 660 NZ LYS X 39 76.972 5.239 -2.903 1.00 1.00 N ATOM 0 H LYS X 39 77.171 4.039 3.287 1.00 1.00 H new ATOM 0 HA LYS X 39 76.809 6.834 3.212 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.446 4.464 1.894 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.860 6.093 1.623 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.141 6.797 0.867 1.00 1.00 H new ATOM 0 HG3 LYS X 39 77.745 5.178 1.159 1.00 1.00 H new ATOM 0 HD2 LYS X 39 76.188 4.241 -0.524 1.00 1.00 H new ATOM 0 HD3 LYS X 39 75.433 5.807 -0.747 1.00 1.00 H new ATOM 0 HE2 LYS X 39 77.611 6.753 -1.551 1.00 1.00 H new ATOM 0 HE3 LYS X 39 78.382 5.197 -1.310 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 77.691 5.485 -3.613 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.824 4.210 -2.902 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 76.078 5.717 -3.136 1.00 1.00 H new ATOM 674 N ASP X 40 74.486 5.129 4.784 1.00 1.00 N ATOM 675 CA ASP X 40 73.325 5.266 5.654 1.00 1.00 C ATOM 676 C ASP X 40 73.637 6.144 6.864 1.00 1.00 C ATOM 677 O ASP X 40 72.881 7.061 7.183 1.00 1.00 O ATOM 678 CB ASP X 40 72.881 3.880 6.135 1.00 1.00 C ATOM 679 CG ASP X 40 72.035 3.184 5.064 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.585 3.863 4.156 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.856 1.983 5.172 1.00 1.00 O ATOM 0 H ASP X 40 74.832 4.175 4.681 1.00 1.00 H new ATOM 0 HA ASP X 40 72.527 5.741 5.083 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.755 3.272 6.367 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.305 3.976 7.056 1.00 1.00 H new ATOM 836 N ILE X 51 94.712 7.308 0.788 1.00 1.00 N ATOM 837 CA ILE X 51 93.605 6.724 0.042 1.00 1.00 C ATOM 838 C ILE X 51 92.272 7.205 0.612 1.00 1.00 C ATOM 839 O ILE X 51 92.019 7.085 1.810 1.00 1.00 O ATOM 840 CB ILE X 51 93.677 5.195 0.126 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.808 4.675 -0.764 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.358 4.596 -0.363 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.609 3.605 -0.021 1.00 1.00 C ATOM 0 HA ILE X 51 93.678 7.036 -1.000 1.00 1.00 H new ATOM 0 HB ILE X 51 93.862 4.907 1.161 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.396 4.259 -1.684 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.463 5.497 -1.051 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.408 3.509 -0.304 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.541 4.956 0.262 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.183 4.895 -1.396 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.412 3.241 -0.662 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.035 4.034 0.886 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.952 2.777 0.244 1.00 1.00 H new ATOM 855 N ASP X 52 91.428 7.758 -0.257 1.00 1.00 N ATOM 856 CA ASP X 52 90.127 8.266 0.167 1.00 1.00 C ATOM 857 C ASP X 52 89.254 7.135 0.685 1.00 1.00 C ATOM 858 O ASP X 52 88.471 7.314 1.619 1.00 1.00 O ATOM 859 CB ASP X 52 89.433 8.975 -0.996 1.00 1.00 C ATOM 860 CG ASP X 52 88.092 9.538 -0.539 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.756 9.349 0.619 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.416 10.141 -1.356 1.00 1.00 O ATOM 0 H ASP X 52 91.621 7.865 -1.253 1.00 1.00 H new ATOM 0 HA ASP X 52 90.283 8.981 0.975 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.065 9.780 -1.371 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.282 8.277 -1.820 1.00 1.00 H new ATOM 867 N ILE X 53 89.397 5.970 0.075 1.00 1.00 N ATOM 868 CA ILE X 53 88.625 4.809 0.481 1.00 1.00 C ATOM 869 C ILE X 53 89.019 4.359 1.884 1.00 1.00 C ATOM 870 O ILE X 53 88.255 3.682 2.555 1.00 1.00 O ATOM 871 CB ILE X 53 88.846 3.665 -0.509 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.074 3.967 -1.784 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.334 2.358 0.083 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.480 2.995 -2.887 1.00 1.00 C ATOM 0 H ILE X 53 90.038 5.804 -0.700 1.00 1.00 H new ATOM 0 HA ILE X 53 87.570 5.084 0.489 1.00 1.00 H new ATOM 0 HB ILE X 53 89.911 3.569 -0.722 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.003 3.889 -1.597 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.269 4.991 -2.102 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.495 1.548 -0.629 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.871 2.142 1.006 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.269 2.447 0.295 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.921 3.221 -3.795 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.547 3.094 -3.084 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.262 1.975 -2.571 1.00 1.00 H new ATOM 886 N LYS X 54 90.214 4.733 2.320 1.00 1.00 N ATOM 887 CA LYS X 54 90.696 4.322 3.633 1.00 1.00 C ATOM 888 C LYS X 54 89.660 4.605 4.707 1.00 1.00 C ATOM 889 O LYS X 54 89.411 3.767 5.576 1.00 1.00 O ATOM 890 CB LYS X 54 91.987 5.074 3.963 1.00 1.00 C ATOM 891 CG LYS X 54 92.782 4.310 5.023 1.00 1.00 C ATOM 892 CD LYS X 54 94.122 5.010 5.258 1.00 1.00 C ATOM 893 CE LYS X 54 94.897 4.268 6.348 1.00 1.00 C ATOM 894 NZ LYS X 54 96.206 4.942 6.577 1.00 1.00 N ATOM 0 H LYS X 54 90.863 5.315 1.790 1.00 1.00 H new ATOM 0 HA LYS X 54 90.885 3.249 3.608 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.588 5.193 3.062 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.752 6.075 4.324 1.00 1.00 H new ATOM 0 HG2 LYS X 54 92.216 4.263 5.953 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.948 3.283 4.698 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.701 5.031 4.335 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.957 6.046 5.554 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.319 4.251 7.272 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.057 3.231 6.053 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.732 4.436 7.318 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.758 4.936 5.696 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.043 5.924 6.877 1.00 1.00 H new ATOM 908 N ARG X 55 89.055 5.775 4.647 1.00 1.00 N ATOM 909 CA ARG X 55 88.047 6.137 5.625 1.00 1.00 C ATOM 910 C ARG X 55 86.813 5.246 5.500 1.00 1.00 C ATOM 911 O ARG X 55 86.218 4.860 6.506 1.00 1.00 O ATOM 912 CB ARG X 55 87.644 7.597 5.449 1.00 1.00 C ATOM 913 CG ARG X 55 86.638 7.977 6.538 1.00 1.00 C ATOM 914 CD ARG X 55 86.380 9.481 6.487 1.00 1.00 C ATOM 915 NE ARG X 55 87.601 10.207 6.819 1.00 1.00 N ATOM 916 CZ ARG X 55 87.955 10.415 8.083 1.00 1.00 C ATOM 917 NH1 ARG X 55 87.201 9.976 9.052 1.00 1.00 N ATOM 918 NH2 ARG X 55 89.056 11.061 8.354 1.00 1.00 N ATOM 0 H ARG X 55 89.241 6.485 3.939 1.00 1.00 H new ATOM 0 HA ARG X 55 88.476 5.995 6.617 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.523 8.239 5.509 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.205 7.749 4.463 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.705 7.432 6.393 1.00 1.00 H new ATOM 0 HG3 ARG X 55 87.023 7.696 7.518 1.00 1.00 H new ATOM 0 HD2 ARG X 55 86.036 9.766 5.493 1.00 1.00 H new ATOM 0 HD3 ARG X 55 85.587 9.747 7.187 1.00 1.00 H new ATOM 0 HE ARG X 55 88.193 10.561 6.068 1.00 1.00 H new ATOM 0 HH11 ARG X 55 86.339 9.473 8.840 1.00 1.00 H new ATOM 0 HH12 ARG X 55 87.473 10.136 10.022 1.00 1.00 H new ATOM 0 HH21 ARG X 55 89.645 11.406 7.596 1.00 1.00 H new ATOM 0 HH22 ARG X 55 89.328 11.221 9.324 1.00 1.00 H new ATOM 932 N TRP X 56 86.415 4.938 4.267 1.00 1.00 N ATOM 933 CA TRP X 56 85.231 4.119 4.055 1.00 1.00 C ATOM 934 C TRP X 56 85.387 2.742 4.707 1.00 1.00 C ATOM 935 O TRP X 56 84.538 2.298 5.485 1.00 1.00 O ATOM 936 CB TRP X 56 84.993 3.957 2.546 1.00 1.00 C ATOM 937 CG TRP X 56 83.889 2.976 2.299 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.930 2.653 3.197 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.612 2.190 1.104 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.083 1.718 2.630 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.463 1.400 1.341 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.242 2.086 -0.150 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.955 0.538 0.368 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.734 1.219 -1.130 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.593 0.447 -0.872 1.00 1.00 C ATOM 0 H TRP X 56 86.888 5.239 3.415 1.00 1.00 H new ATOM 0 HA TRP X 56 84.377 4.615 4.516 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.738 4.921 2.105 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.908 3.616 2.061 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.840 3.059 4.194 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.277 1.313 3.106 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.122 2.677 -0.360 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 81.075 -0.054 0.572 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.225 1.146 -2.089 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.207 -0.218 -1.631 1.00 1.00 H new ATOM 956 N ARG X 57 86.484 2.074 4.389 1.00 1.00 N ATOM 957 CA ARG X 57 86.753 0.749 4.936 1.00 1.00 C ATOM 958 C ARG X 57 86.912 0.814 6.447 1.00 1.00 C ATOM 959 O ARG X 57 86.525 -0.110 7.163 1.00 1.00 O ATOM 960 CB ARG X 57 88.017 0.159 4.309 1.00 1.00 C ATOM 961 CG ARG X 57 88.066 0.486 2.814 1.00 1.00 C ATOM 962 CD ARG X 57 86.894 -0.154 2.082 1.00 1.00 C ATOM 963 NE ARG X 57 87.054 -0.013 0.642 1.00 1.00 N ATOM 964 CZ ARG X 57 86.048 -0.278 -0.186 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.899 -0.671 0.291 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.210 -0.144 -1.474 1.00 1.00 N ATOM 0 H ARG X 57 87.203 2.425 3.756 1.00 1.00 H new ATOM 0 HA ARG X 57 85.905 0.107 4.699 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.900 0.561 4.806 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.034 -0.921 4.453 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.043 1.567 2.673 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.004 0.129 2.390 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.826 -1.210 2.345 1.00 1.00 H new ATOM 0 HD3 ARG X 57 85.961 0.313 2.398 1.00 1.00 H new ATOM 0 HE ARG X 57 87.950 0.293 0.263 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.773 -0.775 1.298 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.126 -0.875 -0.343 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.109 0.164 -1.846 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.438 -0.347 -2.109 1.00 1.00 H new ATOM 980 N ARG X 58 87.485 1.908 6.925 1.00 1.00 N ATOM 981 CA ARG X 58 87.694 2.078 8.361 1.00 1.00 C ATOM 982 C ARG X 58 86.368 2.011 9.113 1.00 1.00 C ATOM 983 O ARG X 58 86.264 1.349 10.146 1.00 1.00 O ATOM 984 CB ARG X 58 88.357 3.426 8.638 1.00 1.00 C ATOM 985 CG ARG X 58 89.877 3.277 8.588 1.00 1.00 C ATOM 986 CD ARG X 58 90.534 4.643 8.804 1.00 1.00 C ATOM 987 NE ARG X 58 91.988 4.506 8.817 1.00 1.00 N ATOM 988 CZ ARG X 58 92.650 4.276 9.947 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.001 4.175 11.075 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.949 4.152 9.929 1.00 1.00 N ATOM 0 H ARG X 58 87.811 2.685 6.350 1.00 1.00 H new ATOM 0 HA ARG X 58 88.340 1.271 8.706 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.030 4.160 7.902 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.051 3.798 9.616 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.209 2.577 9.355 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.181 2.864 7.626 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.233 5.329 8.012 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.193 5.074 9.746 1.00 1.00 H new ATOM 0 HE ARG X 58 92.506 4.588 7.942 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.986 4.272 11.090 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.509 3.999 11.942 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.457 4.232 9.048 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.457 3.976 10.796 1.00 1.00 H new ATOM 1004 N VAL X 59 85.355 2.693 8.591 1.00 1.00 N ATOM 1005 CA VAL X 59 84.043 2.693 9.227 1.00 1.00 C ATOM 1006 C VAL X 59 83.482 1.279 9.264 1.00 1.00 C ATOM 1007 O VAL X 59 82.941 0.842 10.278 1.00 1.00 O ATOM 1008 CB VAL X 59 83.085 3.604 8.455 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.700 3.563 9.101 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.615 5.040 8.472 1.00 1.00 C ATOM 0 H VAL X 59 85.415 3.248 7.737 1.00 1.00 H new ATOM 0 HA VAL X 59 84.148 3.065 10.246 1.00 1.00 H new ATOM 0 HB VAL X 59 83.012 3.257 7.424 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.021 4.213 8.548 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.320 2.542 9.082 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.770 3.905 10.133 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.931 5.687 7.922 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.693 5.387 9.502 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.599 5.070 8.004 1.00 1.00 H new ATOM 1020 N GLY X 60 83.616 0.570 8.150 1.00 1.00 N ATOM 1021 CA GLY X 60 83.116 -0.796 8.064 1.00 1.00 C ATOM 1022 C GLY X 60 83.830 -1.700 9.061 1.00 1.00 C ATOM 1023 O GLY X 60 83.190 -2.445 9.791 1.00 1.00 O ATOM 0 H GLY X 60 84.063 0.915 7.300 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.044 -0.808 8.259 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.260 -1.177 7.053 1.00 1.00 H new ATOM 1027 N ASP X 61 85.156 -1.627 9.091 1.00 1.00 N ATOM 1028 CA ASP X 61 85.935 -2.448 10.010 1.00 1.00 C ATOM 1029 C ASP X 61 85.574 -2.134 11.461 1.00 1.00 C ATOM 1030 O ASP X 61 85.475 -3.036 12.293 1.00 1.00 O ATOM 1031 CB ASP X 61 87.427 -2.189 9.788 1.00 1.00 C ATOM 1032 CG ASP X 61 87.874 -2.805 8.467 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.143 -3.629 7.942 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.939 -2.440 7.997 1.00 1.00 O ATOM 0 H ASP X 61 85.710 -1.013 8.495 1.00 1.00 H new ATOM 0 HA ASP X 61 85.707 -3.496 9.815 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.621 -1.116 9.782 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.004 -2.613 10.610 1.00 1.00 H new ATOM 1039 N CYS X 62 85.382 -0.855 11.763 1.00 1.00 N ATOM 1040 CA CYS X 62 85.040 -0.450 13.128 1.00 1.00 C ATOM 1041 C CYS X 62 83.643 -0.942 13.515 1.00 1.00 C ATOM 1042 O CYS X 62 83.468 -1.720 14.469 1.00 1.00 O ATOM 1043 CB CYS X 62 85.087 1.077 13.229 1.00 1.00 C ATOM 1044 SG CYS X 62 86.762 1.609 13.668 1.00 1.00 S ATOM 0 H CYS X 62 85.455 -0.088 11.095 1.00 1.00 H new ATOM 0 HA CYS X 62 85.763 -0.895 13.812 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.791 1.523 12.280 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.377 1.423 13.980 1.00 1.00 H new ATOM 0 HG CYS X 62 86.798 2.906 13.750 1.00 1.00 H new ATOM 1050 N PHE X 63 82.649 -0.493 12.761 1.00 1.00 N ATOM 1051 CA PHE X 63 81.279 -0.890 13.027 1.00 1.00 C ATOM 1052 C PHE X 63 81.147 -2.401 12.934 1.00 1.00 C ATOM 1053 O PHE X 63 80.331 -3.003 13.627 1.00 1.00 O ATOM 1054 CB PHE X 63 80.331 -0.232 12.029 1.00 1.00 C ATOM 1055 CG PHE X 63 79.529 0.841 12.730 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.578 0.485 13.693 1.00 1.00 C ATOM 1057 CD2 PHE X 63 79.737 2.190 12.416 1.00 1.00 C ATOM 1058 CE1 PHE X 63 77.833 1.478 14.341 1.00 1.00 C ATOM 1059 CE2 PHE X 63 78.993 3.182 13.065 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.041 2.827 14.027 1.00 1.00 C ATOM 0 H PHE X 63 82.766 0.139 11.969 1.00 1.00 H new ATOM 0 HA PHE X 63 81.015 -0.566 14.034 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.897 0.202 11.205 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.663 -0.978 11.599 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.419 -0.555 13.936 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.471 2.465 11.673 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.098 1.204 15.083 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.154 4.222 12.823 1.00 1.00 H new ATOM 0 HZ PHE X 63 77.467 3.593 14.527 1.00 1.00 H new ATOM 1070 N GLN X 64 81.962 -3.005 12.076 1.00 1.00 N ATOM 1071 CA GLN X 64 81.933 -4.450 11.904 1.00 1.00 C ATOM 1072 C GLN X 64 82.238 -5.141 13.219 1.00 1.00 C ATOM 1073 O GLN X 64 81.609 -6.131 13.553 1.00 1.00 O ATOM 1074 CB GLN X 64 82.967 -4.885 10.854 1.00 1.00 C ATOM 1075 CG GLN X 64 83.260 -6.391 10.969 1.00 1.00 C ATOM 1076 CD GLN X 64 84.266 -6.806 9.915 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.039 -6.636 8.717 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.385 -7.357 10.298 1.00 1.00 N ATOM 0 H GLN X 64 82.645 -2.520 11.494 1.00 1.00 H new ATOM 0 HA GLN X 64 80.936 -4.733 11.567 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.596 -4.657 9.855 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.889 -4.319 10.988 1.00 1.00 H new ATOM 0 HG2 GLN X 64 83.646 -6.620 11.962 1.00 1.00 H new ATOM 0 HG3 GLN X 64 82.338 -6.959 10.847 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.571 -7.497 11.291 1.00 1.00 H new ATOM 0 HE22 GLN X 64 86.074 -7.648 9.604 1.00 1.00 H new ATOM 1087 N ASP X 65 83.225 -4.639 13.944 1.00 1.00 N ATOM 1088 CA ASP X 65 83.604 -5.262 15.204 1.00 1.00 C ATOM 1089 C ASP X 65 82.419 -5.315 16.156 1.00 1.00 C ATOM 1090 O ASP X 65 82.127 -6.360 16.740 1.00 1.00 O ATOM 1091 CB ASP X 65 84.738 -4.471 15.850 1.00 1.00 C ATOM 1092 CG ASP X 65 85.100 -5.076 17.202 1.00 1.00 C ATOM 1093 OD1 ASP X 65 84.517 -6.088 17.556 1.00 1.00 O ATOM 1094 OD2 ASP X 65 85.955 -4.514 17.865 1.00 1.00 O ATOM 0 H ASP X 65 83.771 -3.816 13.689 1.00 1.00 H new ATOM 0 HA ASP X 65 83.935 -6.280 14.999 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.611 -4.474 15.197 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.439 -3.431 15.978 1.00 1.00 H new ATOM 1099 N TYR X 66 81.740 -4.186 16.311 1.00 1.00 N ATOM 1100 CA TYR X 66 80.584 -4.132 17.208 1.00 1.00 C ATOM 1101 C TYR X 66 79.403 -4.924 16.650 1.00 1.00 C ATOM 1102 O TYR X 66 78.714 -5.629 17.387 1.00 1.00 O ATOM 1103 CB TYR X 66 80.173 -2.678 17.430 1.00 1.00 C ATOM 1104 CG TYR X 66 81.316 -1.924 18.067 1.00 1.00 C ATOM 1105 CD1 TYR X 66 81.620 -2.123 19.419 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.069 -1.023 17.305 1.00 1.00 C ATOM 1107 CE1 TYR X 66 82.679 -1.422 20.008 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.127 -0.322 17.894 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.432 -0.521 19.246 1.00 1.00 C ATOM 1110 OH TYR X 66 84.477 0.170 19.827 1.00 1.00 O ATOM 0 H TYR X 66 81.960 -3.309 15.839 1.00 1.00 H new ATOM 0 HA TYR X 66 80.872 -4.584 18.157 1.00 1.00 H new ATOM 0 HB2 TYR X 66 79.903 -2.216 16.480 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.291 -2.632 18.069 1.00 1.00 H new ATOM 0 HD1 TYR X 66 81.038 -2.817 20.007 1.00 1.00 H new ATOM 0 HD2 TYR X 66 81.833 -0.869 16.262 1.00 1.00 H new ATOM 0 HE1 TYR X 66 82.915 -1.576 21.051 1.00 1.00 H new ATOM 0 HE2 TYR X 66 83.708 0.373 17.306 1.00 1.00 H new ATOM 0 HH TYR X 66 84.895 0.752 19.159 1.00 1.00 H new ATOM 1120 N TYR X 67 79.168 -4.793 15.352 1.00 1.00 N ATOM 1121 CA TYR X 67 78.060 -5.489 14.702 1.00 1.00 C ATOM 1122 C TYR X 67 78.302 -6.999 14.666 1.00 1.00 C ATOM 1123 O TYR X 67 77.377 -7.788 14.856 1.00 1.00 O ATOM 1124 CB TYR X 67 77.882 -4.947 13.283 1.00 1.00 C ATOM 1125 CG TYR X 67 76.941 -3.762 13.305 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.006 -2.824 14.341 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.997 -3.610 12.282 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.127 -1.733 14.355 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.119 -2.521 12.295 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.184 -1.582 13.332 1.00 1.00 C ATOM 1131 OH TYR X 67 74.320 -0.507 13.344 1.00 1.00 O ATOM 0 H TYR X 67 79.727 -4.213 14.727 1.00 1.00 H new ATOM 0 HA TYR X 67 77.151 -5.311 15.277 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.847 -4.650 12.873 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.486 -5.727 12.632 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.734 -2.941 15.130 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.947 -4.334 11.482 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.177 -1.009 15.155 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.391 -2.404 11.506 1.00 1.00 H new ATOM 0 HH TYR X 67 73.731 -0.552 12.562 1.00 1.00 H new ATOM 1141 N ASN X 68 79.546 -7.396 14.417 1.00 1.00 N ATOM 1142 CA ASN X 68 79.890 -8.808 14.354 1.00 1.00 C ATOM 1143 C ASN X 68 79.671 -9.473 15.705 1.00 1.00 C ATOM 1144 O ASN X 68 79.085 -10.553 15.790 1.00 1.00 O ATOM 1145 CB ASN X 68 81.357 -8.969 13.948 1.00 1.00 C ATOM 1146 CG ASN X 68 81.503 -8.799 12.440 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.527 -8.267 11.756 1.00 1.00 O flip ATOM 1148 ND2 ASN X 68 82.528 -9.170 11.869 1.00 1.00 N flip ATOM 0 H ASN X 68 80.328 -6.761 14.256 1.00 1.00 H new ATOM 0 HA ASN X 68 79.247 -9.284 13.614 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.969 -8.231 14.466 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.720 -9.952 14.248 1.00 1.00 H new ATOM 0 HD21 ASN X 68 83.289 -9.585 12.406 1.00 1.00 H new ATOM 0 HD22 ASN X 68 82.616 -9.062 10.859 1.00 1.00 H new ATOM 1155 N THR X 69 80.136 -8.817 16.762 1.00 1.00 N ATOM 1156 CA THR X 69 79.973 -9.352 18.105 1.00 1.00 C ATOM 1157 C THR X 69 78.496 -9.416 18.456 1.00 1.00 C ATOM 1158 O THR X 69 78.011 -10.422 18.973 1.00 1.00 O ATOM 1159 CB THR X 69 80.715 -8.475 19.119 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.103 -8.481 18.814 1.00 1.00 O ATOM 1161 CG2 THR X 69 80.497 -9.025 20.529 1.00 1.00 C ATOM 0 H THR X 69 80.624 -7.923 16.715 1.00 1.00 H new ATOM 0 HA THR X 69 80.394 -10.357 18.139 1.00 1.00 H new ATOM 0 HB THR X 69 80.334 -7.455 19.069 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.288 -7.814 18.120 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.025 -8.400 21.249 1.00 1.00 H new ATOM 0 HG22 THR X 69 79.432 -9.023 20.760 1.00 1.00 H new ATOM 0 HG23 THR X 69 80.878 -10.045 20.585 1.00 1.00 H new ATOM 1169 N PHE X 70 77.786 -8.332 18.163 1.00 1.00 N ATOM 1170 CA PHE X 70 76.358 -8.276 18.443 1.00 1.00 C ATOM 1171 C PHE X 70 75.610 -9.324 17.618 1.00 1.00 C ATOM 1172 O PHE X 70 74.709 -9.992 18.126 1.00 1.00 O ATOM 1173 CB PHE X 70 75.808 -6.875 18.143 1.00 1.00 C ATOM 1174 CG PHE X 70 74.486 -6.676 18.861 1.00 1.00 C ATOM 1175 CD1 PHE X 70 74.457 -6.652 20.260 1.00 1.00 C ATOM 1176 CD2 PHE X 70 73.302 -6.509 18.133 1.00 1.00 C ATOM 1177 CE1 PHE X 70 73.243 -6.463 20.932 1.00 1.00 C ATOM 1178 CE2 PHE X 70 72.088 -6.320 18.805 1.00 1.00 C ATOM 1179 CZ PHE X 70 72.059 -6.297 20.204 1.00 1.00 C ATOM 0 H PHE X 70 78.171 -7.489 17.736 1.00 1.00 H new ATOM 0 HA PHE X 70 76.206 -8.492 19.501 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.523 -6.117 18.463 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.671 -6.751 17.069 1.00 1.00 H new ATOM 0 HD1 PHE X 70 75.371 -6.779 20.821 1.00 1.00 H new ATOM 0 HD2 PHE X 70 73.325 -6.526 17.053 1.00 1.00 H new ATOM 0 HE1 PHE X 70 73.220 -6.445 22.012 1.00 1.00 H new ATOM 0 HE2 PHE X 70 71.174 -6.192 18.244 1.00 1.00 H new ATOM 0 HZ PHE X 70 71.123 -6.151 20.722 1.00 1.00 H new ATOM 1189 N GLY X 71 75.973 -9.455 16.340 1.00 1.00 N ATOM 1190 CA GLY X 71 75.309 -10.415 15.463 1.00 1.00 C ATOM 1191 C GLY X 71 75.353 -9.946 14.009 1.00 1.00 C ATOM 1192 O GLY X 71 76.013 -10.560 13.170 1.00 1.00 O ATOM 0 H GLY X 71 76.715 -8.914 15.896 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.792 -11.388 15.550 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.273 -10.544 15.777 1.00 1.00 H new ATOM 1196 N PRO X 72 74.660 -8.875 13.705 1.00 1.00 N ATOM 1197 CA PRO X 72 74.607 -8.304 12.336 1.00 1.00 C ATOM 1198 C PRO X 72 75.921 -8.476 11.581 1.00 1.00 C ATOM 1199 O PRO X 72 76.883 -7.747 11.802 1.00 1.00 O ATOM 1200 CB PRO X 72 74.303 -6.824 12.577 1.00 1.00 C ATOM 1201 CG PRO X 72 73.694 -6.729 13.948 1.00 1.00 C ATOM 1202 CD PRO X 72 73.843 -8.090 14.634 1.00 1.00 C ATOM 0 HA PRO X 72 73.864 -8.804 11.714 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.212 -6.226 12.515 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.617 -6.441 11.821 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.190 -5.953 14.531 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.642 -6.452 13.878 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.326 -7.995 15.606 1.00 1.00 H new ATOM 0 HD3 PRO X 72 72.873 -8.558 14.805 1.00 1.00 H new ATOM 1210 N GLU X 73 75.950 -9.449 10.687 1.00 1.00 N ATOM 1211 CA GLU X 73 77.140 -9.717 9.896 1.00 1.00 C ATOM 1212 C GLU X 73 77.111 -8.944 8.582 1.00 1.00 C ATOM 1213 O GLU X 73 77.981 -9.122 7.738 1.00 1.00 O ATOM 1214 CB GLU X 73 77.256 -11.213 9.627 1.00 1.00 C ATOM 1215 CG GLU X 73 76.061 -11.682 8.792 1.00 1.00 C ATOM 1216 CD GLU X 73 76.124 -13.191 8.591 1.00 1.00 C ATOM 1217 OE1 GLU X 73 77.117 -13.781 8.983 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.187 -13.731 8.026 1.00 1.00 O ATOM 0 H GLU X 73 75.163 -10.067 10.490 1.00 1.00 H new ATOM 0 HA GLU X 73 78.011 -9.385 10.461 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.186 -11.426 9.100 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.291 -11.760 10.569 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.130 -11.412 9.291 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.062 -11.178 7.826 1.00 1.00 H new ATOM 1225 N LYS X 74 76.090 -8.109 8.416 1.00 1.00 N ATOM 1226 CA LYS X 74 75.927 -7.319 7.198 1.00 1.00 C ATOM 1227 C LYS X 74 77.277 -6.861 6.669 1.00 1.00 C ATOM 1228 O LYS X 74 77.501 -6.851 5.459 1.00 1.00 O ATOM 1229 CB LYS X 74 75.026 -6.103 7.474 1.00 1.00 C ATOM 1230 CG LYS X 74 75.143 -5.089 6.327 1.00 1.00 C ATOM 1231 CD LYS X 74 74.161 -3.939 6.544 1.00 1.00 C ATOM 1232 CE LYS X 74 74.363 -2.893 5.444 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.774 -1.599 5.877 1.00 1.00 N ATOM 0 H LYS X 74 75.360 -7.961 9.112 1.00 1.00 H new ATOM 0 HA LYS X 74 75.456 -7.946 6.441 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.990 -6.425 7.581 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.313 -5.634 8.415 1.00 1.00 H new ATOM 0 HG2 LYS X 74 76.161 -4.704 6.274 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.938 -5.579 5.375 1.00 1.00 H new ATOM 0 HD2 LYS X 74 73.137 -4.311 6.526 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.319 -3.489 7.524 1.00 1.00 H new ATOM 0 HE2 LYS X 74 75.426 -2.769 5.236 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.893 -3.227 4.519 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.911 -0.888 5.130 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.757 -1.723 6.055 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 74.242 -1.279 6.749 1.00 1.00 H new ATOM 1247 N VAL X 75 78.171 -6.489 7.578 1.00 1.00 N ATOM 1248 CA VAL X 75 79.506 -6.042 7.190 1.00 1.00 C ATOM 1249 C VAL X 75 80.565 -6.987 7.764 1.00 1.00 C ATOM 1250 O VAL X 75 81.134 -6.721 8.824 1.00 1.00 O ATOM 1251 CB VAL X 75 79.753 -4.620 7.691 1.00 1.00 C ATOM 1252 CG1 VAL X 75 79.482 -3.634 6.553 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.822 -4.315 8.861 1.00 1.00 C ATOM 0 H VAL X 75 77.998 -6.487 8.583 1.00 1.00 H new ATOM 0 HA VAL X 75 79.574 -6.050 6.102 1.00 1.00 H new ATOM 0 HB VAL X 75 80.787 -4.526 8.023 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.656 -2.617 6.904 1.00 1.00 H new ATOM 0 HG12 VAL X 75 80.149 -3.849 5.718 1.00 1.00 H new ATOM 0 HG13 VAL X 75 78.447 -3.732 6.225 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.002 -3.300 9.214 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.786 -4.407 8.535 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.012 -5.020 9.670 1.00 1.00 H new ATOM 1263 N PRO X 76 80.820 -8.089 7.096 1.00 1.00 N ATOM 1264 CA PRO X 76 81.809 -9.103 7.548 1.00 1.00 C ATOM 1265 C PRO X 76 83.250 -8.677 7.296 1.00 1.00 C ATOM 1266 O PRO X 76 83.512 -7.769 6.509 1.00 1.00 O ATOM 1267 CB PRO X 76 81.448 -10.361 6.763 1.00 1.00 C ATOM 1268 CG PRO X 76 80.664 -9.912 5.576 1.00 1.00 C ATOM 1269 CD PRO X 76 80.206 -8.477 5.818 1.00 1.00 C ATOM 0 HA PRO X 76 81.761 -9.254 8.626 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.346 -10.896 6.454 1.00 1.00 H new ATOM 0 HB3 PRO X 76 80.864 -11.046 7.377 1.00 1.00 H new ATOM 0 HG2 PRO X 76 81.274 -9.969 4.675 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.804 -10.564 5.420 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.527 -7.819 5.011 1.00 1.00 H new ATOM 0 HD3 PRO X 76 79.119 -8.413 5.868 1.00 1.00 H new ATOM 1277 N VAL X 77 84.177 -9.345 7.971 1.00 1.00 N ATOM 1278 CA VAL X 77 85.597 -9.038 7.814 1.00 1.00 C ATOM 1279 C VAL X 77 86.066 -9.350 6.398 1.00 1.00 C ATOM 1280 O VAL X 77 86.977 -8.703 5.882 1.00 1.00 O ATOM 1281 CB VAL X 77 86.431 -9.843 8.814 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.350 -11.329 8.463 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.892 -9.383 8.751 1.00 1.00 C ATOM 0 H VAL X 77 83.975 -10.098 8.629 1.00 1.00 H new ATOM 0 HA VAL X 77 85.732 -7.973 8.005 1.00 1.00 H new ATOM 0 HB VAL X 77 86.044 -9.684 9.820 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.943 -11.904 9.174 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.312 -11.657 8.508 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.737 -11.487 7.456 1.00 1.00 H new ATOM 0 HG21 VAL X 77 88.485 -9.957 9.463 1.00 1.00 H new ATOM 0 HG22 VAL X 77 88.280 -9.541 7.745 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.951 -8.323 9.000 1.00 1.00 H new ATOM 1293 N THR X 78 85.445 -10.344 5.777 1.00 1.00 N ATOM 1294 CA THR X 78 85.821 -10.731 4.423 1.00 1.00 C ATOM 1295 C THR X 78 86.045 -9.487 3.563 1.00 1.00 C ATOM 1296 O THR X 78 86.753 -9.528 2.550 1.00 1.00 O ATOM 1297 CB THR X 78 84.712 -11.593 3.814 1.00 1.00 C ATOM 1298 OG1 THR X 78 83.500 -10.852 3.789 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.521 -12.853 4.661 1.00 1.00 C ATOM 0 H THR X 78 84.687 -10.892 6.183 1.00 1.00 H new ATOM 0 HA THR X 78 86.748 -11.303 4.458 1.00 1.00 H new ATOM 0 HB THR X 78 84.988 -11.877 2.798 1.00 1.00 H new ATOM 0 HG1 THR X 78 82.789 -11.401 3.398 1.00 1.00 H new ATOM 0 HG21 THR X 78 83.731 -13.467 4.227 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.451 -13.421 4.683 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.244 -12.570 5.677 1.00 1.00 H new ATOM 1307 N ALA X 79 85.444 -8.379 3.979 1.00 1.00 N ATOM 1308 CA ALA X 79 85.586 -7.128 3.252 1.00 1.00 C ATOM 1309 C ALA X 79 87.009 -6.588 3.371 1.00 1.00 C ATOM 1310 O ALA X 79 87.539 -5.990 2.434 1.00 1.00 O ATOM 1311 CB ALA X 79 84.596 -6.094 3.786 1.00 1.00 C ATOM 0 H ALA X 79 84.857 -8.323 4.811 1.00 1.00 H new ATOM 0 HA ALA X 79 85.375 -7.321 2.200 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.711 -5.161 3.234 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.579 -6.466 3.662 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.791 -5.916 4.844 1.00 1.00 H new ATOM 1317 N PHE X 80 87.620 -6.788 4.532 1.00 1.00 N ATOM 1318 CA PHE X 80 88.975 -6.299 4.762 1.00 1.00 C ATOM 1319 C PHE X 80 89.932 -6.841 3.701 1.00 1.00 C ATOM 1320 O PHE X 80 90.710 -6.090 3.112 1.00 1.00 O ATOM 1321 CB PHE X 80 89.443 -6.730 6.154 1.00 1.00 C ATOM 1322 CG PHE X 80 90.849 -6.236 6.390 1.00 1.00 C ATOM 1323 CD1 PHE X 80 91.938 -6.914 5.829 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.063 -5.094 7.171 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.240 -6.450 6.050 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.365 -4.630 7.391 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.454 -5.307 6.829 1.00 1.00 C ATOM 0 H PHE X 80 87.204 -7.281 5.323 1.00 1.00 H new ATOM 0 HA PHE X 80 88.971 -5.211 4.698 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.773 -6.329 6.914 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.409 -7.816 6.240 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.773 -7.795 5.226 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.223 -4.571 7.604 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.080 -6.974 5.619 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.530 -3.750 7.994 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.459 -4.948 6.996 1.00 1.00 H new ATOM 1337 N SER X 81 89.874 -8.143 3.455 1.00 1.00 N ATOM 1338 CA SER X 81 90.746 -8.758 2.455 1.00 1.00 C ATOM 1339 C SER X 81 90.472 -8.167 1.067 1.00 1.00 C ATOM 1340 O SER X 81 91.396 -7.809 0.317 1.00 1.00 O ATOM 1341 CB SER X 81 90.507 -10.271 2.438 1.00 1.00 C ATOM 1342 OG SER X 81 89.134 -10.529 2.167 1.00 1.00 O ATOM 0 H SER X 81 89.241 -8.790 3.926 1.00 1.00 H new ATOM 0 HA SER X 81 91.785 -8.555 2.715 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.133 -10.741 1.680 1.00 1.00 H new ATOM 0 HB3 SER X 81 90.788 -10.706 3.397 1.00 1.00 H new ATOM 0 HG SER X 81 88.582 -9.836 2.585 1.00 1.00 H new ATOM 1348 N TYR X 82 89.194 -8.036 0.742 1.00 1.00 N ATOM 1349 CA TYR X 82 88.803 -7.468 -0.538 1.00 1.00 C ATOM 1350 C TYR X 82 89.381 -6.059 -0.675 1.00 1.00 C ATOM 1351 O TYR X 82 89.840 -5.641 -1.753 1.00 1.00 O ATOM 1352 CB TYR X 82 87.269 -7.451 -0.642 1.00 1.00 C ATOM 1353 CG TYR X 82 86.799 -6.088 -1.073 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.068 -5.640 -2.373 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.111 -5.261 -0.177 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.650 -4.366 -2.775 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.692 -3.988 -0.580 1.00 1.00 C ATOM 1358 CZ TYR X 82 85.961 -3.540 -1.878 1.00 1.00 C ATOM 1359 OH TYR X 82 85.547 -2.289 -2.278 1.00 1.00 O ATOM 0 H TYR X 82 88.417 -8.313 1.342 1.00 1.00 H new ATOM 0 HA TYR X 82 89.197 -8.077 -1.351 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.936 -8.203 -1.358 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.828 -7.710 0.321 1.00 1.00 H new ATOM 0 HD1 TYR X 82 87.598 -6.278 -3.065 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.904 -5.606 0.825 1.00 1.00 H new ATOM 0 HE1 TYR X 82 86.859 -4.020 -3.777 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.161 -3.351 0.111 1.00 1.00 H new ATOM 0 HH TYR X 82 85.069 -2.360 -3.131 1.00 1.00 H new ATOM 1369 N TRP X 83 89.369 -5.328 0.427 1.00 1.00 N ATOM 1370 CA TRP X 83 89.899 -3.981 0.420 1.00 1.00 C ATOM 1371 C TRP X 83 91.385 -3.988 0.077 1.00 1.00 C ATOM 1372 O TRP X 83 91.887 -3.051 -0.538 1.00 1.00 O ATOM 1373 CB TRP X 83 89.672 -3.296 1.769 1.00 1.00 C ATOM 1374 CG TRP X 83 90.369 -1.968 1.782 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.458 -1.123 0.729 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.061 -1.318 2.889 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.160 0.004 1.119 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.552 -0.070 2.440 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.307 -1.688 4.223 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.262 0.783 3.287 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.021 -0.831 5.078 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.498 0.401 4.610 1.00 1.00 C ATOM 0 H TRP X 83 89.002 -5.642 1.326 1.00 1.00 H new ATOM 0 HA TRP X 83 89.367 -3.417 -0.346 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.605 -3.160 1.944 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.050 -3.924 2.576 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.048 -1.299 -0.255 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.363 0.793 0.505 1.00 1.00 H new ATOM 0 HE3 TRP X 83 90.945 -2.636 4.593 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.626 1.732 2.922 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.203 -1.123 6.102 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.047 1.054 5.271 1.00 1.00 H new ATOM 1393 N ASN X 84 92.084 -5.041 0.487 1.00 1.00 N ATOM 1394 CA ASN X 84 93.516 -5.145 0.226 1.00 1.00 C ATOM 1395 C ASN X 84 93.784 -5.071 -1.267 1.00 1.00 C ATOM 1396 O ASN X 84 94.746 -4.429 -1.714 1.00 1.00 O ATOM 1397 CB ASN X 84 94.047 -6.473 0.755 1.00 1.00 C ATOM 1398 CG ASN X 84 95.502 -6.322 1.189 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.314 -5.773 0.446 1.00 1.00 O ATOM 1400 ND2 ASN X 84 95.880 -6.781 2.350 1.00 1.00 N ATOM 0 H ASN X 84 91.686 -5.829 0.998 1.00 1.00 H new ATOM 0 HA ASN X 84 94.018 -4.319 0.729 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.441 -6.806 1.598 1.00 1.00 H new ATOM 0 HB3 ASN X 84 93.967 -7.238 -0.017 1.00 1.00 H new ATOM 0 HD21 ASN X 84 96.852 -6.685 2.644 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.204 -7.236 2.963 1.00 1.00 H new ATOM 1407 N LEU X 85 92.929 -5.722 -2.044 1.00 1.00 N ATOM 1408 CA LEU X 85 93.107 -5.704 -3.482 1.00 1.00 C ATOM 1409 C LEU X 85 93.036 -4.269 -3.983 1.00 1.00 C ATOM 1410 O LEU X 85 93.811 -3.868 -4.854 1.00 1.00 O ATOM 1411 CB LEU X 85 92.041 -6.562 -4.170 1.00 1.00 C ATOM 1412 CG LEU X 85 92.427 -8.043 -4.085 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.683 -8.320 -4.920 1.00 1.00 C ATOM 1414 CD2 LEU X 85 92.701 -8.408 -2.624 1.00 1.00 C ATOM 0 H LEU X 85 92.126 -6.255 -1.710 1.00 1.00 H new ATOM 0 HA LEU X 85 94.084 -6.122 -3.723 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.072 -6.402 -3.697 1.00 1.00 H new ATOM 0 HB3 LEU X 85 91.939 -6.263 -5.213 1.00 1.00 H new ATOM 0 HG LEU X 85 91.606 -8.645 -4.475 1.00 1.00 H new ATOM 0 HD11 LEU X 85 93.942 -9.376 -4.848 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.491 -8.064 -5.962 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.510 -7.717 -4.545 1.00 1.00 H new ATOM 0 HD21 LEU X 85 92.976 -9.461 -2.557 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.517 -7.795 -2.243 1.00 1.00 H new ATOM 0 HD23 LEU X 85 91.805 -8.229 -2.030 1.00 1.00 H new ATOM 1426 N ILE X 86 92.125 -3.484 -3.423 1.00 1.00 N ATOM 1427 CA ILE X 86 92.014 -2.091 -3.835 1.00 1.00 C ATOM 1428 C ILE X 86 93.292 -1.314 -3.491 1.00 1.00 C ATOM 1429 O ILE X 86 93.763 -0.506 -4.289 1.00 1.00 O ATOM 1430 CB ILE X 86 90.832 -1.448 -3.147 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.540 -2.084 -3.653 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.814 0.053 -3.432 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.374 -1.624 -2.780 1.00 1.00 C ATOM 0 H ILE X 86 91.468 -3.778 -2.701 1.00 1.00 H new ATOM 0 HA ILE X 86 91.872 -2.064 -4.915 1.00 1.00 H new ATOM 0 HB ILE X 86 90.916 -1.603 -2.071 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.365 -1.802 -4.691 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.622 -3.171 -3.627 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.959 0.508 -2.932 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.734 0.505 -3.061 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.736 0.218 -4.507 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.450 -2.077 -3.139 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.550 -1.928 -1.748 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.289 -0.538 -2.829 1.00 1.00 H new ATOM 1445 N LYS X 87 93.840 -1.537 -2.295 1.00 1.00 N ATOM 1446 CA LYS X 87 95.046 -0.815 -1.891 1.00 1.00 C ATOM 1447 C LYS X 87 96.067 -0.826 -3.017 1.00 1.00 C ATOM 1448 O LYS X 87 96.627 0.212 -3.372 1.00 1.00 O ATOM 1449 CB LYS X 87 95.667 -1.492 -0.674 1.00 1.00 C ATOM 1450 CG LYS X 87 94.688 -1.437 0.490 1.00 1.00 C ATOM 1451 CD LYS X 87 95.348 -2.019 1.741 1.00 1.00 C ATOM 1452 CE LYS X 87 94.328 -2.076 2.878 1.00 1.00 C ATOM 1453 NZ LYS X 87 93.221 -3.011 2.518 1.00 1.00 N ATOM 0 H LYS X 87 93.478 -2.195 -1.605 1.00 1.00 H new ATOM 0 HA LYS X 87 94.770 0.212 -1.653 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.914 -2.528 -0.907 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.599 -0.995 -0.404 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.382 -0.407 0.673 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.786 -1.999 0.247 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.731 -3.018 1.532 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.200 -1.406 2.034 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.812 -2.407 3.797 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.928 -1.081 3.070 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 92.381 -2.792 3.092 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 92.989 -2.903 1.510 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 93.520 -3.990 2.701 1.00 1.00 H new ATOM 1467 N GLU X 88 96.294 -1.999 -3.587 1.00 1.00 N ATOM 1468 CA GLU X 88 97.243 -2.120 -4.686 1.00 1.00 C ATOM 1469 C GLU X 88 96.751 -1.380 -5.925 1.00 1.00 C ATOM 1470 O GLU X 88 97.552 -0.850 -6.695 1.00 1.00 O ATOM 1471 CB GLU X 88 97.482 -3.591 -5.033 1.00 1.00 C ATOM 1472 CG GLU X 88 98.498 -4.189 -4.062 1.00 1.00 C ATOM 1473 CD GLU X 88 98.725 -5.659 -4.394 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.165 -6.118 -5.376 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.460 -6.305 -3.664 1.00 1.00 O ATOM 0 H GLU X 88 95.842 -2.871 -3.313 1.00 1.00 H new ATOM 0 HA GLU X 88 98.180 -1.670 -4.359 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.544 -4.144 -4.980 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.847 -3.679 -6.056 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.439 -3.643 -4.124 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.139 -4.089 -3.038 1.00 1.00 H new ATOM 1482 N LEU X 89 95.438 -1.354 -6.129 1.00 1.00 N ATOM 1483 CA LEU X 89 94.892 -0.681 -7.307 1.00 1.00 C ATOM 1484 C LEU X 89 95.156 0.820 -7.271 1.00 1.00 C ATOM 1485 O LEU X 89 95.634 1.400 -8.248 1.00 1.00 O ATOM 1486 CB LEU X 89 93.380 -0.926 -7.372 1.00 1.00 C ATOM 1487 CG LEU X 89 92.750 -0.120 -8.516 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.401 -0.516 -9.839 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.252 -0.419 -8.566 1.00 1.00 C ATOM 0 H LEU X 89 94.745 -1.779 -5.513 1.00 1.00 H new ATOM 0 HA LEU X 89 95.385 -1.090 -8.189 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.184 -1.988 -7.518 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.920 -0.644 -6.425 1.00 1.00 H new ATOM 0 HG LEU X 89 92.906 0.946 -8.349 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.953 0.057 -10.651 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.470 -0.308 -9.795 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.245 -1.580 -10.017 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.794 0.149 -9.376 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.099 -1.484 -8.739 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.793 -0.135 -7.619 1.00 1.00 H new ATOM 1501 N ILE X 90 94.820 1.449 -6.155 1.00 1.00 N ATOM 1502 CA ILE X 90 94.997 2.889 -6.022 1.00 1.00 C ATOM 1503 C ILE X 90 96.473 3.242 -5.917 1.00 1.00 C ATOM 1504 O ILE X 90 96.943 4.199 -6.533 1.00 1.00 O ATOM 1505 CB ILE X 90 94.255 3.395 -4.780 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.802 2.940 -4.837 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.268 4.927 -4.748 1.00 1.00 C ATOM 1508 CD1 ILE X 90 92.188 3.032 -3.445 1.00 1.00 C ATOM 0 H ILE X 90 94.426 0.990 -5.334 1.00 1.00 H new ATOM 0 HA ILE X 90 94.586 3.369 -6.910 1.00 1.00 H new ATOM 0 HB ILE X 90 94.749 2.997 -3.894 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.242 3.562 -5.535 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.744 1.916 -5.205 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.738 5.277 -3.862 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.298 5.282 -4.719 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.777 5.314 -5.641 1.00 1.00 H new ATOM 0 HD11 ILE X 90 91.148 2.707 -3.484 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.743 2.392 -2.759 1.00 1.00 H new ATOM 0 HD13 ILE X 90 92.233 4.063 -3.095 1.00 1.00 H new ATOM 1520 N ASP X 91 97.194 2.461 -5.124 1.00 1.00 N ATOM 1521 CA ASP X 91 98.618 2.698 -4.925 1.00 1.00 C ATOM 1522 C ASP X 91 99.319 2.885 -6.264 1.00 1.00 C ATOM 1523 O ASP X 91 100.122 3.803 -6.430 1.00 1.00 O ATOM 1524 CB ASP X 91 99.248 1.517 -4.181 1.00 1.00 C ATOM 1525 CG ASP X 91 98.809 1.517 -2.720 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.246 2.510 -2.289 1.00 1.00 O ATOM 1527 OD2 ASP X 91 99.047 0.523 -2.054 1.00 1.00 O ATOM 0 H ASP X 91 96.820 1.663 -4.611 1.00 1.00 H new ATOM 0 HA ASP X 91 98.736 3.605 -4.332 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.955 0.581 -4.656 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.335 1.578 -4.241 1.00 1.00 H new