USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 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 16 LYS NZ :NH3+ -113:sc= -4.93! (180deg=-3.93!) USER MOD Set 1.2: X 20 LYS NZ :NH3+ 174:sc= -2.92! (180deg=0) USER MOD Set 2.1: X 8 HIS :FLIP no HD1:sc= -0.453 F(o=-3.2,f=-0.88) USER MOD Set 2.2: X 39 LYS NZ :NH3+ -128:sc= -0.423 (180deg=0) USER MOD Single : X 6 SER OG : rot 180:sc= -0.0756 USER MOD Single : X 7 GLN : amide:sc=-0.00827 K(o=-0.0083,f=-1.7!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : X 17 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.28) USER MOD Single : X 21 THR OG1 : rot -26:sc= 1.16 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 28 TYR OH : rot 180:sc= -0.0485 USER MOD Single : X 33 LYS NZ :NH3+ -167:sc= -0.0185 (180deg=-0.258) 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= -5.38! C(o=-5.4!,f=-6.8!) USER MOD Single : X 66 TYR OH : rot 92:sc= 1.63 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN :FLIP amide:sc= -2.23 F(o=-3.1!,f=-2.2) USER MOD Single : X 69 THR OG1 : rot 102:sc= 1.21 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot -63:sc= 0.735 USER MOD Single : X 82 TYR OH : rot -84:sc= 0.0686 USER MOD Single : X 84 ASN : amide:sc= -0.196 K(o=-0.2,f=-0.85) USER MOD Single : X 87 LYS NZ :NH3+ -123:sc= -3.04! (180deg=-3.94!) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.706 0.415 -9.492 1.00 1.00 N ATOM 79 CA SER X 6 69.150 1.707 -8.980 1.00 1.00 C ATOM 80 C SER X 6 70.568 2.005 -9.457 1.00 1.00 C ATOM 81 O SER X 6 71.323 1.095 -9.799 1.00 1.00 O ATOM 82 CB SER X 6 69.114 1.711 -7.451 1.00 1.00 C ATOM 83 OG SER X 6 69.661 2.932 -6.972 1.00 1.00 O ATOM 0 HA SER X 6 68.476 2.477 -9.356 1.00 1.00 H new ATOM 0 HB2 SER X 6 68.089 1.596 -7.100 1.00 1.00 H new ATOM 0 HB3 SER X 6 69.682 0.867 -7.060 1.00 1.00 H new ATOM 0 HG SER X 6 69.638 2.939 -5.992 1.00 1.00 H new ATOM 89 N GLN X 7 70.918 3.285 -9.482 1.00 1.00 N ATOM 90 CA GLN X 7 72.243 3.702 -9.925 1.00 1.00 C ATOM 91 C GLN X 7 73.324 3.139 -9.008 1.00 1.00 C ATOM 92 O GLN X 7 74.425 2.818 -9.457 1.00 1.00 O ATOM 93 CB GLN X 7 72.331 5.229 -9.936 1.00 1.00 C ATOM 94 CG GLN X 7 73.720 5.658 -10.416 1.00 1.00 C ATOM 95 CD GLN X 7 73.758 7.168 -10.623 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.712 7.814 -10.694 1.00 1.00 O ATOM 97 NE2 GLN X 7 74.910 7.773 -10.732 1.00 1.00 N ATOM 0 H GLN X 7 70.305 4.051 -9.202 1.00 1.00 H new ATOM 0 HA GLN X 7 72.403 3.317 -10.932 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.564 5.643 -10.591 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.143 5.622 -8.937 1.00 1.00 H new ATOM 0 HG2 GLN X 7 74.473 5.364 -9.685 1.00 1.00 H new ATOM 0 HG3 GLN X 7 73.965 5.149 -11.348 1.00 1.00 H new ATOM 0 HE21 GLN X 7 75.775 7.236 -10.673 1.00 1.00 H new ATOM 0 HE22 GLN X 7 74.944 8.782 -10.876 1.00 1.00 H new ATOM 106 N HIS X 8 73.007 3.027 -7.724 1.00 1.00 N ATOM 107 CA HIS X 8 73.966 2.507 -6.755 1.00 1.00 C ATOM 108 C HIS X 8 74.270 1.043 -7.051 1.00 1.00 C ATOM 109 O HIS X 8 75.410 0.595 -6.927 1.00 1.00 O ATOM 110 CB HIS X 8 73.403 2.642 -5.339 1.00 1.00 C ATOM 111 CG HIS X 8 73.279 4.099 -4.986 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.179 5.001 -4.474 1.00 1.00 N flip ATOM 113 CD2 HIS X 8 72.095 4.799 -5.152 1.00 1.00 C flip ATOM 114 CE1 HIS X 8 73.566 6.242 -4.324 1.00 1.00 C flip ATOM 115 NE2 HIS X 8 72.312 6.064 -4.747 1.00 1.00 N flip ATOM 0 H HIS X 8 72.102 3.286 -7.331 1.00 1.00 H new ATOM 0 HA HIS X 8 74.888 3.083 -6.830 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.429 2.157 -5.276 1.00 1.00 H new ATOM 0 HB3 HIS X 8 74.057 2.138 -4.627 1.00 1.00 H new ATOM 0 HD2 HIS X 8 71.167 4.402 -5.536 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.009 7.152 -3.947 1.00 1.00 H new ATOM 0 HE2 HIS X 8 71.604 6.798 -4.761 1.00 1.00 H new ATOM 123 N GLU X 9 73.240 0.308 -7.449 1.00 1.00 N ATOM 124 CA GLU X 9 73.398 -1.102 -7.768 1.00 1.00 C ATOM 125 C GLU X 9 74.315 -1.279 -8.973 1.00 1.00 C ATOM 126 O GLU X 9 75.174 -2.159 -8.985 1.00 1.00 O ATOM 127 CB GLU X 9 72.030 -1.710 -8.072 1.00 1.00 C ATOM 128 CG GLU X 9 71.205 -1.776 -6.786 1.00 1.00 C ATOM 129 CD GLU X 9 69.795 -2.265 -7.098 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.511 -2.484 -8.264 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.016 -2.399 -6.169 1.00 1.00 O ATOM 0 H GLU X 9 72.290 0.664 -7.558 1.00 1.00 H new ATOM 0 HA GLU X 9 73.845 -1.608 -6.912 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.511 -1.110 -8.819 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.149 -2.709 -8.492 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.682 -2.447 -6.072 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.163 -0.792 -6.320 1.00 1.00 H new ATOM 138 N ARG X 10 74.125 -0.438 -9.985 1.00 1.00 N ATOM 139 CA ARG X 10 74.942 -0.514 -11.190 1.00 1.00 C ATOM 140 C ARG X 10 76.402 -0.208 -10.868 1.00 1.00 C ATOM 141 O ARG X 10 77.314 -0.802 -11.444 1.00 1.00 O ATOM 142 CB ARG X 10 74.432 0.475 -12.242 1.00 1.00 C ATOM 143 CG ARG X 10 73.056 0.028 -12.747 1.00 1.00 C ATOM 144 CD ARG X 10 72.663 0.860 -13.971 1.00 1.00 C ATOM 145 NE ARG X 10 72.452 2.257 -13.602 1.00 1.00 N ATOM 146 CZ ARG X 10 71.267 2.688 -13.181 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.268 1.854 -13.081 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.104 3.943 -12.869 1.00 1.00 N ATOM 0 H ARG X 10 73.419 0.298 -9.995 1.00 1.00 H new ATOM 0 HA ARG X 10 74.871 -1.527 -11.585 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.365 1.475 -11.813 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.135 0.531 -13.073 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.079 -1.030 -13.006 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.312 0.147 -11.959 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.444 0.793 -14.728 1.00 1.00 H new ATOM 0 HD3 ARG X 10 71.754 0.455 -14.415 1.00 1.00 H new ATOM 0 HE ARG X 10 73.229 2.915 -13.669 1.00 1.00 H new ATOM 0 HH11 ARG X 10 70.397 0.872 -13.326 1.00 1.00 H new ATOM 0 HH12 ARG X 10 69.359 2.184 -12.758 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.885 4.594 -12.948 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.195 4.274 -12.546 1.00 1.00 H new ATOM 162 N TYR X 11 76.614 0.725 -9.947 1.00 1.00 N ATOM 163 CA TYR X 11 77.966 1.108 -9.560 1.00 1.00 C ATOM 164 C TYR X 11 78.722 -0.099 -9.011 1.00 1.00 C ATOM 165 O TYR X 11 79.876 -0.338 -9.369 1.00 1.00 O ATOM 166 CB TYR X 11 77.908 2.205 -8.494 1.00 1.00 C ATOM 167 CG TYR X 11 79.310 2.580 -8.079 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.126 3.295 -8.965 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.796 2.218 -6.818 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.427 3.648 -8.589 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.098 2.570 -6.441 1.00 1.00 C ATOM 172 CZ TYR X 11 81.913 3.285 -7.326 1.00 1.00 C ATOM 173 OH TYR X 11 83.195 3.634 -6.953 1.00 1.00 O ATOM 0 H TYR X 11 75.873 1.227 -9.458 1.00 1.00 H new ATOM 0 HA TYR X 11 78.489 1.483 -10.440 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.387 3.079 -8.885 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.342 1.857 -7.630 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.751 3.574 -9.939 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.167 1.667 -6.135 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.056 4.200 -9.272 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.473 2.290 -5.468 1.00 1.00 H new ATOM 0 HH TYR X 11 83.373 3.306 -6.047 1.00 1.00 H new ATOM 183 N VAL X 12 78.060 -0.860 -8.143 1.00 1.00 N ATOM 184 CA VAL X 12 78.681 -2.044 -7.556 1.00 1.00 C ATOM 185 C VAL X 12 79.021 -3.045 -8.640 1.00 1.00 C ATOM 186 O VAL X 12 80.122 -3.582 -8.674 1.00 1.00 O ATOM 187 CB VAL X 12 77.741 -2.690 -6.531 1.00 1.00 C ATOM 188 CG1 VAL X 12 77.992 -4.200 -6.452 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.012 -2.081 -5.164 1.00 1.00 C ATOM 0 H VAL X 12 77.105 -0.681 -7.833 1.00 1.00 H new ATOM 0 HA VAL X 12 79.597 -1.738 -7.050 1.00 1.00 H new ATOM 0 HB VAL X 12 76.709 -2.513 -6.836 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.317 -4.643 -5.720 1.00 1.00 H new ATOM 0 HG12 VAL X 12 77.814 -4.650 -7.429 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.024 -4.382 -6.151 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.349 -2.533 -4.426 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.048 -2.266 -4.882 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.833 -1.006 -5.202 1.00 1.00 H new ATOM 199 N GLU X 13 78.067 -3.295 -9.523 1.00 1.00 N ATOM 200 CA GLU X 13 78.283 -4.245 -10.606 1.00 1.00 C ATOM 201 C GLU X 13 79.611 -3.977 -11.299 1.00 1.00 C ATOM 202 O GLU X 13 80.335 -4.908 -11.649 1.00 1.00 O ATOM 203 CB GLU X 13 77.153 -4.142 -11.630 1.00 1.00 C ATOM 204 CG GLU X 13 75.859 -4.674 -11.019 1.00 1.00 C ATOM 205 CD GLU X 13 74.696 -4.450 -11.979 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.929 -3.906 -13.047 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.586 -4.813 -11.627 1.00 1.00 O ATOM 0 H GLU X 13 77.145 -2.859 -9.513 1.00 1.00 H new ATOM 0 HA GLU X 13 78.300 -5.248 -10.179 1.00 1.00 H new ATOM 0 HB2 GLU X 13 77.022 -3.105 -11.939 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.406 -4.711 -12.524 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.961 -5.737 -10.801 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.661 -4.172 -10.072 1.00 1.00 H new ATOM 214 N GLN X 14 79.927 -2.704 -11.500 1.00 1.00 N ATOM 215 CA GLN X 14 81.177 -2.344 -12.161 1.00 1.00 C ATOM 216 C GLN X 14 82.364 -2.765 -11.310 1.00 1.00 C ATOM 217 O GLN X 14 83.320 -3.360 -11.808 1.00 1.00 O ATOM 218 CB GLN X 14 81.227 -0.835 -12.391 1.00 1.00 C ATOM 219 CG GLN X 14 80.118 -0.424 -13.361 1.00 1.00 C ATOM 220 CD GLN X 14 80.098 1.092 -13.520 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.963 1.786 -12.984 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.154 1.651 -14.227 1.00 1.00 N ATOM 0 H GLN X 14 79.346 -1.914 -11.220 1.00 1.00 H new ATOM 0 HA GLN X 14 81.225 -2.860 -13.120 1.00 1.00 H new ATOM 0 HB2 GLN X 14 81.108 -0.309 -11.444 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.199 -0.551 -12.794 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.278 -0.897 -14.330 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.153 -0.772 -12.991 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.439 1.074 -14.670 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.131 2.665 -14.337 1.00 1.00 H new ATOM 231 N LEU X 15 82.292 -2.459 -10.022 1.00 1.00 N ATOM 232 CA LEU X 15 83.363 -2.818 -9.105 1.00 1.00 C ATOM 233 C LEU X 15 83.465 -4.328 -8.991 1.00 1.00 C ATOM 234 O LEU X 15 84.549 -4.875 -8.837 1.00 1.00 O ATOM 235 CB LEU X 15 83.111 -2.223 -7.721 1.00 1.00 C ATOM 236 CG LEU X 15 83.213 -0.692 -7.788 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.791 -0.093 -6.447 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.656 -0.265 -8.085 1.00 1.00 C ATOM 0 H LEU X 15 81.509 -1.967 -9.591 1.00 1.00 H new ATOM 0 HA LEU X 15 84.297 -2.416 -9.498 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.124 -2.516 -7.363 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.837 -2.614 -7.009 1.00 1.00 H new ATOM 0 HG LEU X 15 82.559 -0.335 -8.584 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.864 0.994 -6.495 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.762 -0.379 -6.229 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.446 -0.466 -5.660 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.712 0.823 -8.129 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.313 -0.630 -7.296 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.970 -0.684 -9.041 1.00 1.00 H new ATOM 250 N LYS X 16 82.326 -4.999 -9.051 1.00 1.00 N ATOM 251 CA LYS X 16 82.310 -6.444 -8.934 1.00 1.00 C ATOM 252 C LYS X 16 83.205 -7.073 -9.996 1.00 1.00 C ATOM 253 O LYS X 16 84.017 -7.946 -9.692 1.00 1.00 O ATOM 254 CB LYS X 16 80.881 -6.962 -9.118 1.00 1.00 C ATOM 255 CG LYS X 16 80.750 -8.350 -8.491 1.00 1.00 C ATOM 256 CD LYS X 16 79.302 -8.826 -8.617 1.00 1.00 C ATOM 257 CE LYS X 16 79.132 -10.160 -7.886 1.00 1.00 C ATOM 258 NZ LYS X 16 79.929 -11.215 -8.576 1.00 1.00 N ATOM 0 H LYS X 16 81.410 -4.569 -9.179 1.00 1.00 H new ATOM 0 HA LYS X 16 82.679 -6.715 -7.945 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.173 -6.275 -8.655 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.634 -7.007 -10.179 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.420 -9.051 -8.988 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.044 -8.317 -7.442 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.626 -8.081 -8.196 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.037 -8.940 -9.668 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.458 -10.063 -6.851 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.079 -10.442 -7.863 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.286 -11.914 -9.001 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 80.509 -10.780 -9.322 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 80.548 -11.688 -7.887 1.00 1.00 H new ATOM 272 N GLN X 17 83.053 -6.629 -11.241 1.00 1.00 N ATOM 273 CA GLN X 17 83.860 -7.170 -12.330 1.00 1.00 C ATOM 274 C GLN X 17 85.307 -6.683 -12.252 1.00 1.00 C ATOM 275 O GLN X 17 86.251 -7.469 -12.379 1.00 1.00 O ATOM 276 CB GLN X 17 83.252 -6.761 -13.671 1.00 1.00 C ATOM 277 CG GLN X 17 81.877 -7.413 -13.824 1.00 1.00 C ATOM 278 CD GLN X 17 82.024 -8.924 -13.983 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.741 -9.389 -14.868 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.378 -9.722 -13.176 1.00 1.00 N ATOM 0 H GLN X 17 82.388 -5.907 -11.518 1.00 1.00 H new ATOM 0 HA GLN X 17 83.865 -8.256 -12.239 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.161 -5.676 -13.726 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.905 -7.068 -14.488 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.262 -7.190 -12.952 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.364 -6.997 -14.691 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.784 -9.334 -12.443 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.467 -10.733 -13.279 1.00 1.00 H new ATOM 289 N ALA X 18 85.474 -5.380 -12.057 1.00 1.00 N ATOM 290 CA ALA X 18 86.808 -4.797 -11.983 1.00 1.00 C ATOM 291 C ALA X 18 87.613 -5.401 -10.837 1.00 1.00 C ATOM 292 O ALA X 18 88.735 -5.857 -11.039 1.00 1.00 O ATOM 293 CB ALA X 18 86.695 -3.285 -11.781 1.00 1.00 C ATOM 0 H ALA X 18 84.710 -4.713 -11.948 1.00 1.00 H new ATOM 0 HA ALA X 18 87.326 -5.013 -12.918 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.693 -2.850 -11.726 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.153 -2.846 -12.619 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.158 -3.081 -10.855 1.00 1.00 H new ATOM 299 N LEU X 19 87.030 -5.399 -9.644 1.00 1.00 N ATOM 300 CA LEU X 19 87.697 -5.943 -8.468 1.00 1.00 C ATOM 301 C LEU X 19 87.907 -7.448 -8.618 1.00 1.00 C ATOM 302 O LEU X 19 88.874 -8.001 -8.095 1.00 1.00 O ATOM 303 CB LEU X 19 86.878 -5.643 -7.198 1.00 1.00 C ATOM 304 CG LEU X 19 86.798 -4.127 -6.939 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.855 -3.875 -5.766 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.170 -3.546 -6.575 1.00 1.00 C ATOM 0 H LEU X 19 86.097 -5.027 -9.466 1.00 1.00 H new ATOM 0 HA LEU X 19 88.672 -5.465 -8.375 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.873 -6.051 -7.304 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.334 -6.139 -6.341 1.00 1.00 H new ATOM 0 HG LEU X 19 86.441 -3.648 -7.850 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.791 -2.804 -5.574 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.864 -4.260 -6.006 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.235 -4.381 -4.878 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.076 -2.474 -6.399 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.543 -4.031 -5.673 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.868 -3.719 -7.394 1.00 1.00 H new ATOM 318 N LYS X 20 87.007 -8.104 -9.338 1.00 1.00 N ATOM 319 CA LYS X 20 87.123 -9.540 -9.545 1.00 1.00 C ATOM 320 C LYS X 20 88.461 -9.882 -10.183 1.00 1.00 C ATOM 321 O LYS X 20 89.100 -10.867 -9.812 1.00 1.00 O ATOM 322 CB LYS X 20 85.990 -10.039 -10.439 1.00 1.00 C ATOM 323 CG LYS X 20 84.921 -10.710 -9.580 1.00 1.00 C ATOM 324 CD LYS X 20 83.725 -11.066 -10.459 1.00 1.00 C ATOM 325 CE LYS X 20 82.682 -11.814 -9.628 1.00 1.00 C ATOM 326 NZ LYS X 20 81.521 -12.165 -10.493 1.00 1.00 N ATOM 0 H LYS X 20 86.198 -7.671 -9.783 1.00 1.00 H new ATOM 0 HA LYS X 20 87.058 -10.030 -8.574 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.556 -9.207 -10.993 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.377 -10.745 -11.174 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.324 -11.608 -9.112 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.611 -10.043 -8.776 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.288 -10.161 -10.880 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.048 -11.684 -11.297 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.119 -12.717 -9.203 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.354 -11.195 -8.793 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 80.857 -12.761 -9.958 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.038 -11.295 -10.796 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 81.856 -12.685 -11.329 1.00 1.00 H new ATOM 340 N THR X 21 88.886 -9.070 -11.136 1.00 1.00 N ATOM 341 CA THR X 21 90.157 -9.314 -11.804 1.00 1.00 C ATOM 342 C THR X 21 91.328 -8.974 -10.883 1.00 1.00 C ATOM 343 O THR X 21 92.471 -9.332 -11.166 1.00 1.00 O ATOM 344 CB THR X 21 90.245 -8.479 -13.082 1.00 1.00 C ATOM 345 OG1 THR X 21 90.247 -7.099 -12.746 1.00 1.00 O ATOM 346 CG2 THR X 21 89.040 -8.790 -13.969 1.00 1.00 C ATOM 0 H THR X 21 88.380 -8.247 -11.462 1.00 1.00 H new ATOM 0 HA THR X 21 90.212 -10.372 -12.059 1.00 1.00 H new ATOM 0 HB THR X 21 91.163 -8.720 -13.617 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.799 -6.972 -11.884 1.00 1.00 H new ATOM 0 HG21 THR X 21 89.098 -8.197 -14.882 1.00 1.00 H new ATOM 0 HG22 THR X 21 89.040 -9.850 -14.224 1.00 1.00 H new ATOM 0 HG23 THR X 21 88.122 -8.545 -13.435 1.00 1.00 H new ATOM 354 N ARG X 22 91.045 -8.275 -9.786 1.00 1.00 N ATOM 355 CA ARG X 22 92.100 -7.891 -8.850 1.00 1.00 C ATOM 356 C ARG X 22 92.321 -8.964 -7.790 1.00 1.00 C ATOM 357 O ARG X 22 93.253 -8.866 -6.992 1.00 1.00 O ATOM 358 CB ARG X 22 91.743 -6.577 -8.163 1.00 1.00 C ATOM 359 CG ARG X 22 91.527 -5.506 -9.226 1.00 1.00 C ATOM 360 CD ARG X 22 91.548 -4.124 -8.581 1.00 1.00 C ATOM 361 NE ARG X 22 90.624 -3.221 -9.266 1.00 1.00 N ATOM 362 CZ ARG X 22 90.736 -2.936 -10.559 1.00 1.00 C ATOM 363 NH1 ARG X 22 91.695 -3.471 -11.264 1.00 1.00 N ATOM 364 NH2 ARG X 22 89.887 -2.123 -11.126 1.00 1.00 N ATOM 0 H ARG X 22 90.108 -7.966 -9.525 1.00 1.00 H new ATOM 0 HA ARG X 22 93.019 -7.772 -9.423 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.842 -6.699 -7.562 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.541 -6.278 -7.484 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.305 -5.574 -9.987 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.574 -5.668 -9.729 1.00 1.00 H new ATOM 0 HD2 ARG X 22 91.274 -4.204 -7.529 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.558 -3.715 -8.617 1.00 1.00 H new ATOM 0 HE ARG X 22 89.867 -2.795 -8.732 1.00 1.00 H new ATOM 0 HH11 ARG X 22 92.358 -4.108 -10.822 1.00 1.00 H new ATOM 0 HH12 ARG X 22 91.781 -3.252 -12.257 1.00 1.00 H new ATOM 0 HH21 ARG X 22 89.136 -1.705 -10.576 1.00 1.00 H new ATOM 0 HH22 ARG X 22 89.974 -1.905 -12.119 1.00 1.00 H new ATOM 378 N GLY X 23 91.465 -9.982 -7.781 1.00 1.00 N ATOM 379 CA GLY X 23 91.590 -11.059 -6.801 1.00 1.00 C ATOM 380 C GLY X 23 90.489 -10.981 -5.748 1.00 1.00 C ATOM 381 O GLY X 23 90.639 -11.507 -4.645 1.00 1.00 O ATOM 0 H GLY X 23 90.686 -10.085 -8.432 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.543 -12.023 -7.308 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.565 -11.001 -6.316 1.00 1.00 H new ATOM 385 N VAL X 24 89.390 -10.314 -6.089 1.00 1.00 N ATOM 386 CA VAL X 24 88.279 -10.164 -5.154 1.00 1.00 C ATOM 387 C VAL X 24 87.129 -11.105 -5.507 1.00 1.00 C ATOM 388 O VAL X 24 86.723 -11.197 -6.660 1.00 1.00 O ATOM 389 CB VAL X 24 87.774 -8.721 -5.178 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.485 -8.615 -4.363 1.00 1.00 C ATOM 391 CG2 VAL X 24 88.835 -7.786 -4.588 1.00 1.00 C ATOM 0 H VAL X 24 89.245 -9.872 -6.997 1.00 1.00 H new ATOM 0 HA VAL X 24 88.641 -10.417 -4.157 1.00 1.00 H new ATOM 0 HB VAL X 24 87.576 -8.429 -6.209 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.127 -7.586 -4.381 1.00 1.00 H new ATOM 0 HG12 VAL X 24 85.728 -9.271 -4.793 1.00 1.00 H new ATOM 0 HG13 VAL X 24 86.680 -8.913 -3.333 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.468 -6.760 -4.609 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.044 -8.076 -3.558 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.750 -7.856 -5.177 1.00 1.00 H new ATOM 401 N LYS X 25 86.609 -11.804 -4.500 1.00 1.00 N ATOM 402 CA LYS X 25 85.503 -12.734 -4.715 1.00 1.00 C ATOM 403 C LYS X 25 84.356 -12.440 -3.757 1.00 1.00 C ATOM 404 O LYS X 25 84.285 -13.003 -2.664 1.00 1.00 O ATOM 405 CB LYS X 25 85.987 -14.168 -4.517 1.00 1.00 C ATOM 406 CG LYS X 25 86.956 -14.529 -5.642 1.00 1.00 C ATOM 407 CD LYS X 25 87.438 -15.968 -5.451 1.00 1.00 C ATOM 408 CE LYS X 25 88.424 -16.336 -6.563 1.00 1.00 C ATOM 409 NZ LYS X 25 88.899 -17.734 -6.360 1.00 1.00 N ATOM 0 H LYS X 25 86.933 -11.745 -3.535 1.00 1.00 H new ATOM 0 HA LYS X 25 85.141 -12.610 -5.736 1.00 1.00 H new ATOM 0 HB2 LYS X 25 86.480 -14.268 -3.550 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.140 -14.854 -4.516 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.464 -14.423 -6.609 1.00 1.00 H new ATOM 0 HG3 LYS X 25 87.805 -13.845 -5.640 1.00 1.00 H new ATOM 0 HD2 LYS X 25 87.917 -16.075 -4.478 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.588 -16.651 -5.465 1.00 1.00 H new ATOM 0 HE2 LYS X 25 87.943 -16.241 -7.537 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.270 -15.648 -6.557 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.569 -17.986 -7.114 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.372 -17.809 -5.437 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 88.087 -18.384 -6.387 1.00 1.00 H new ATOM 423 N VAL X 26 83.458 -11.558 -4.179 1.00 1.00 N ATOM 424 CA VAL X 26 82.308 -11.193 -3.356 1.00 1.00 C ATOM 425 C VAL X 26 81.054 -11.055 -4.213 1.00 1.00 C ATOM 426 O VAL X 26 81.138 -10.821 -5.417 1.00 1.00 O ATOM 427 CB VAL X 26 82.575 -9.868 -2.636 1.00 1.00 C ATOM 428 CG1 VAL X 26 83.784 -10.024 -1.713 1.00 1.00 C ATOM 429 CG2 VAL X 26 82.857 -8.767 -3.663 1.00 1.00 C ATOM 0 H VAL X 26 83.502 -11.084 -5.081 1.00 1.00 H new ATOM 0 HA VAL X 26 82.152 -11.984 -2.622 1.00 1.00 H new ATOM 0 HB VAL X 26 81.698 -9.596 -2.048 1.00 1.00 H new ATOM 0 HG11 VAL X 26 83.974 -9.081 -1.200 1.00 1.00 H new ATOM 0 HG12 VAL X 26 83.582 -10.803 -0.977 1.00 1.00 H new ATOM 0 HG13 VAL X 26 84.659 -10.300 -2.302 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.046 -7.827 -3.145 1.00 1.00 H new ATOM 0 HG22 VAL X 26 83.731 -9.037 -4.256 1.00 1.00 H new ATOM 0 HG23 VAL X 26 81.995 -8.653 -4.320 1.00 1.00 H new ATOM 439 N LYS X 27 79.894 -11.202 -3.581 1.00 1.00 N ATOM 440 CA LYS X 27 78.624 -11.092 -4.284 1.00 1.00 C ATOM 441 C LYS X 27 78.264 -9.624 -4.513 1.00 1.00 C ATOM 442 O LYS X 27 78.775 -8.737 -3.830 1.00 1.00 O ATOM 443 CB LYS X 27 77.537 -11.747 -3.440 1.00 1.00 C ATOM 444 CG LYS X 27 77.947 -13.183 -3.130 1.00 1.00 C ATOM 445 CD LYS X 27 76.907 -13.814 -2.215 1.00 1.00 C ATOM 446 CE LYS X 27 77.335 -15.240 -1.880 1.00 1.00 C ATOM 447 NZ LYS X 27 76.261 -15.912 -1.096 1.00 1.00 N ATOM 0 H LYS X 27 79.809 -11.398 -2.584 1.00 1.00 H new ATOM 0 HA LYS X 27 78.707 -11.588 -5.251 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.391 -11.189 -2.515 1.00 1.00 H new ATOM 0 HB3 LYS X 27 76.587 -11.734 -3.974 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.033 -13.757 -4.053 1.00 1.00 H new ATOM 0 HG3 LYS X 27 78.927 -13.199 -2.652 1.00 1.00 H new ATOM 0 HD2 LYS X 27 76.805 -13.228 -1.302 1.00 1.00 H new ATOM 0 HD3 LYS X 27 75.932 -13.819 -2.702 1.00 1.00 H new ATOM 0 HE2 LYS X 27 77.533 -15.796 -2.796 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.263 -15.227 -1.308 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 76.554 -16.884 -0.868 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.093 -15.385 -0.215 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 75.385 -15.937 -1.657 1.00 1.00 H new ATOM 461 N TYR X 28 77.375 -9.375 -5.469 1.00 1.00 N ATOM 462 CA TYR X 28 76.943 -8.013 -5.765 1.00 1.00 C ATOM 463 C TYR X 28 76.285 -7.381 -4.546 1.00 1.00 C ATOM 464 O TYR X 28 76.581 -6.243 -4.180 1.00 1.00 O ATOM 465 CB TYR X 28 75.950 -8.034 -6.928 1.00 1.00 C ATOM 466 CG TYR X 28 74.679 -7.317 -6.534 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.553 -5.936 -6.727 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.621 -8.047 -5.980 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.368 -5.285 -6.365 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.437 -7.395 -5.617 1.00 1.00 C ATOM 471 CZ TYR X 28 72.309 -6.014 -5.809 1.00 1.00 C ATOM 472 OH TYR X 28 71.141 -5.372 -5.453 1.00 1.00 O ATOM 0 H TYR X 28 76.942 -10.093 -6.049 1.00 1.00 H new ATOM 0 HA TYR X 28 77.817 -7.421 -6.036 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.391 -7.556 -7.803 1.00 1.00 H new ATOM 0 HB3 TYR X 28 75.725 -9.063 -7.207 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.370 -5.373 -7.155 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.718 -9.112 -5.833 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.270 -4.220 -6.514 1.00 1.00 H new ATOM 0 HE2 TYR X 28 71.621 -7.958 -5.188 1.00 1.00 H new ATOM 0 HH TYR X 28 70.509 -6.024 -5.084 1.00 1.00 H new ATOM 482 N ALA X 29 75.384 -8.127 -3.930 1.00 1.00 N ATOM 483 CA ALA X 29 74.672 -7.643 -2.757 1.00 1.00 C ATOM 484 C ALA X 29 75.635 -7.320 -1.617 1.00 1.00 C ATOM 485 O ALA X 29 75.424 -6.365 -0.877 1.00 1.00 O ATOM 486 CB ALA X 29 73.666 -8.694 -2.283 1.00 1.00 C ATOM 0 H ALA X 29 75.127 -9.070 -4.222 1.00 1.00 H new ATOM 0 HA ALA X 29 74.149 -6.729 -3.040 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.138 -8.322 -1.405 1.00 1.00 H new ATOM 0 HB2 ALA X 29 72.949 -8.896 -3.079 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.193 -9.613 -2.028 1.00 1.00 H new ATOM 492 N ASP X 30 76.681 -8.123 -1.465 1.00 1.00 N ATOM 493 CA ASP X 30 77.637 -7.904 -0.387 1.00 1.00 C ATOM 494 C ASP X 30 78.195 -6.483 -0.426 1.00 1.00 C ATOM 495 O ASP X 30 78.188 -5.778 0.582 1.00 1.00 O ATOM 496 CB ASP X 30 78.788 -8.899 -0.515 1.00 1.00 C ATOM 497 CG ASP X 30 78.305 -10.309 -0.198 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.173 -10.446 0.237 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.073 -11.235 -0.403 1.00 1.00 O ATOM 0 H ASP X 30 76.887 -8.921 -2.066 1.00 1.00 H new ATOM 0 HA ASP X 30 77.119 -8.048 0.561 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.196 -8.865 -1.525 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.594 -8.622 0.164 1.00 1.00 H new ATOM 504 N LEU X 31 78.672 -6.070 -1.593 1.00 1.00 N ATOM 505 CA LEU X 31 79.229 -4.731 -1.753 1.00 1.00 C ATOM 506 C LEU X 31 78.138 -3.680 -1.590 1.00 1.00 C ATOM 507 O LEU X 31 78.366 -2.617 -1.016 1.00 1.00 O ATOM 508 CB LEU X 31 79.874 -4.582 -3.135 1.00 1.00 C ATOM 509 CG LEU X 31 81.054 -5.550 -3.268 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.612 -5.484 -4.692 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.159 -5.180 -2.272 1.00 1.00 C ATOM 0 H LEU X 31 78.685 -6.639 -2.440 1.00 1.00 H new ATOM 0 HA LEU X 31 79.988 -4.584 -0.985 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.138 -4.784 -3.913 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.216 -3.557 -3.278 1.00 1.00 H new ATOM 0 HG LEU X 31 80.706 -6.561 -3.054 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.451 -6.173 -4.786 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.833 -5.763 -5.401 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.950 -4.469 -4.904 1.00 1.00 H new ATOM 0 HD21 LEU X 31 82.991 -5.876 -2.377 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.506 -4.166 -2.473 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.767 -5.234 -1.257 1.00 1.00 H new ATOM 523 N LEU X 32 76.950 -3.983 -2.108 1.00 1.00 N ATOM 524 CA LEU X 32 75.834 -3.051 -2.024 1.00 1.00 C ATOM 525 C LEU X 32 75.491 -2.782 -0.563 1.00 1.00 C ATOM 526 O LEU X 32 75.260 -1.638 -0.173 1.00 1.00 O ATOM 527 CB LEU X 32 74.619 -3.632 -2.764 1.00 1.00 C ATOM 528 CG LEU X 32 73.445 -2.641 -2.718 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.818 -1.356 -3.464 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.221 -3.274 -3.384 1.00 1.00 C ATOM 0 H LEU X 32 76.739 -4.859 -2.586 1.00 1.00 H new ATOM 0 HA LEU X 32 76.113 -2.108 -2.494 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.883 -3.846 -3.800 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.324 -4.577 -2.308 1.00 1.00 H new ATOM 0 HG LEU X 32 73.219 -2.401 -1.679 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.981 -0.658 -3.427 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.690 -0.902 -2.993 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.048 -1.592 -4.503 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.387 -2.573 -3.353 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.455 -3.514 -4.421 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.949 -4.186 -2.853 1.00 1.00 H new ATOM 542 N LYS X 33 75.473 -3.834 0.245 1.00 1.00 N ATOM 543 CA LYS X 33 75.171 -3.680 1.660 1.00 1.00 C ATOM 544 C LYS X 33 76.234 -2.822 2.339 1.00 1.00 C ATOM 545 O LYS X 33 75.914 -1.957 3.151 1.00 1.00 O ATOM 546 CB LYS X 33 75.109 -5.049 2.333 1.00 1.00 C ATOM 547 CG LYS X 33 73.874 -5.797 1.835 1.00 1.00 C ATOM 548 CD LYS X 33 73.860 -7.206 2.424 1.00 1.00 C ATOM 549 CE LYS X 33 72.715 -8.003 1.797 1.00 1.00 C ATOM 550 NZ LYS X 33 71.410 -7.412 2.210 1.00 1.00 N ATOM 0 H LYS X 33 75.662 -4.792 -0.051 1.00 1.00 H new ATOM 0 HA LYS X 33 74.204 -3.187 1.757 1.00 1.00 H new ATOM 0 HB2 LYS X 33 76.010 -5.620 2.108 1.00 1.00 H new ATOM 0 HB3 LYS X 33 75.067 -4.934 3.416 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.970 -5.261 2.125 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.880 -5.847 0.746 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.811 -7.702 2.233 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.737 -7.159 3.506 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.803 -7.992 0.711 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.769 -9.045 2.111 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.640 -8.070 1.973 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.415 -7.241 3.236 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.263 -6.512 1.710 1.00 1.00 H new ATOM 564 N PHE X 34 77.499 -3.066 2.003 1.00 1.00 N ATOM 565 CA PHE X 34 78.595 -2.305 2.592 1.00 1.00 C ATOM 566 C PHE X 34 78.490 -0.829 2.200 1.00 1.00 C ATOM 567 O PHE X 34 78.678 0.059 3.030 1.00 1.00 O ATOM 568 CB PHE X 34 79.944 -2.866 2.122 1.00 1.00 C ATOM 569 CG PHE X 34 81.016 -2.569 3.158 1.00 1.00 C ATOM 570 CD1 PHE X 34 81.405 -1.248 3.409 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.611 -3.621 3.864 1.00 1.00 C ATOM 572 CE1 PHE X 34 82.390 -0.979 4.367 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.597 -3.352 4.822 1.00 1.00 C ATOM 574 CZ PHE X 34 82.986 -2.031 5.073 1.00 1.00 C ATOM 0 H PHE X 34 77.787 -3.778 1.332 1.00 1.00 H new ATOM 0 HA PHE X 34 78.529 -2.391 3.677 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.866 -3.942 1.965 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.218 -2.423 1.165 1.00 1.00 H new ATOM 0 HD1 PHE X 34 80.946 -0.437 2.864 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.310 -4.640 3.670 1.00 1.00 H new ATOM 0 HE1 PHE X 34 82.690 0.040 4.561 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.057 -4.163 5.367 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.746 -1.823 5.812 1.00 1.00 H new ATOM 584 N PHE X 35 78.198 -0.568 0.928 1.00 1.00 N ATOM 585 CA PHE X 35 78.088 0.809 0.454 1.00 1.00 C ATOM 586 C PHE X 35 76.975 1.534 1.194 1.00 1.00 C ATOM 587 O PHE X 35 77.144 2.668 1.639 1.00 1.00 O ATOM 588 CB PHE X 35 77.804 0.834 -1.052 1.00 1.00 C ATOM 589 CG PHE X 35 79.108 0.878 -1.815 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.930 2.006 -1.713 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.495 -0.201 -2.619 1.00 1.00 C ATOM 592 CE1 PHE X 35 81.140 2.057 -2.416 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.705 -0.150 -3.322 1.00 1.00 C ATOM 594 CZ PHE X 35 81.527 0.978 -3.221 1.00 1.00 C ATOM 0 H PHE X 35 78.035 -1.280 0.216 1.00 1.00 H new ATOM 0 HA PHE X 35 79.034 1.314 0.647 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.233 -0.049 -1.339 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.195 1.703 -1.303 1.00 1.00 H new ATOM 0 HD1 PHE X 35 79.631 2.837 -1.092 1.00 1.00 H new ATOM 0 HD2 PHE X 35 78.861 -1.072 -2.697 1.00 1.00 H new ATOM 0 HE1 PHE X 35 81.774 2.928 -2.338 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.004 -0.982 -3.943 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.460 1.017 -3.764 1.00 1.00 H new ATOM 604 N ASP X 36 75.840 0.869 1.328 1.00 1.00 N ATOM 605 CA ASP X 36 74.710 1.459 2.021 1.00 1.00 C ATOM 606 C ASP X 36 74.966 1.516 3.525 1.00 1.00 C ATOM 607 O ASP X 36 74.391 2.346 4.230 1.00 1.00 O ATOM 608 CB ASP X 36 73.452 0.642 1.735 1.00 1.00 C ATOM 609 CG ASP X 36 72.986 0.885 0.301 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.480 1.819 -0.310 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.134 0.143 -0.159 1.00 1.00 O ATOM 0 H ASP X 36 75.678 -0.072 0.969 1.00 1.00 H new ATOM 0 HA ASP X 36 74.572 2.478 1.660 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.655 -0.418 1.885 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.663 0.918 2.434 1.00 1.00 H new ATOM 616 N PHE X 37 75.831 0.631 4.011 1.00 1.00 N ATOM 617 CA PHE X 37 76.149 0.594 5.432 1.00 1.00 C ATOM 618 C PHE X 37 76.775 1.912 5.882 1.00 1.00 C ATOM 619 O PHE X 37 76.317 2.529 6.849 1.00 1.00 O ATOM 620 CB PHE X 37 77.133 -0.544 5.704 1.00 1.00 C ATOM 621 CG PHE X 37 77.363 -0.669 7.186 1.00 1.00 C ATOM 622 CD1 PHE X 37 78.242 0.205 7.837 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.698 -1.662 7.914 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.455 0.087 9.214 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.910 -1.780 9.294 1.00 1.00 C ATOM 626 CZ PHE X 37 77.789 -0.905 9.943 1.00 1.00 C ATOM 0 H PHE X 37 76.320 -0.064 3.447 1.00 1.00 H new ATOM 0 HA PHE X 37 75.225 0.435 5.988 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.741 -1.480 5.306 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.077 -0.352 5.194 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.756 0.971 7.275 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.021 -2.338 7.412 1.00 1.00 H new ATOM 0 HE1 PHE X 37 79.134 0.761 9.715 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.396 -2.545 9.856 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.953 -0.995 11.007 1.00 1.00 H new ATOM 636 N VAL X 38 77.824 2.341 5.177 1.00 1.00 N ATOM 637 CA VAL X 38 78.494 3.590 5.531 1.00 1.00 C ATOM 638 C VAL X 38 77.579 4.779 5.281 1.00 1.00 C ATOM 639 O VAL X 38 77.561 5.716 6.062 1.00 1.00 O ATOM 640 CB VAL X 38 79.808 3.781 4.743 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.513 4.389 3.369 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.742 4.744 5.496 1.00 1.00 C ATOM 0 H VAL X 38 78.220 1.852 4.374 1.00 1.00 H new ATOM 0 HA VAL X 38 78.736 3.532 6.592 1.00 1.00 H new ATOM 0 HB VAL X 38 80.282 2.806 4.632 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.446 4.520 2.821 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.854 3.724 2.811 1.00 1.00 H new ATOM 0 HG13 VAL X 38 79.028 5.357 3.496 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.665 4.871 4.931 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.251 5.710 5.612 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.972 4.334 6.479 1.00 1.00 H new ATOM 652 N LYS X 39 76.836 4.746 4.182 1.00 1.00 N ATOM 653 CA LYS X 39 75.942 5.854 3.856 1.00 1.00 C ATOM 654 C LYS X 39 74.870 6.030 4.920 1.00 1.00 C ATOM 655 O LYS X 39 74.514 7.156 5.272 1.00 1.00 O ATOM 656 CB LYS X 39 75.286 5.638 2.491 1.00 1.00 C ATOM 657 CG LYS X 39 76.331 5.816 1.383 1.00 1.00 C ATOM 658 CD LYS X 39 75.644 5.812 0.015 1.00 1.00 C ATOM 659 CE LYS X 39 75.046 4.433 -0.269 1.00 1.00 C ATOM 660 NZ LYS X 39 74.748 4.318 -1.724 1.00 1.00 N ATOM 0 H LYS X 39 76.832 3.979 3.510 1.00 1.00 H new ATOM 0 HA LYS X 39 76.545 6.761 3.821 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.853 4.639 2.439 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.470 6.347 2.352 1.00 1.00 H new ATOM 0 HG2 LYS X 39 76.870 6.752 1.526 1.00 1.00 H new ATOM 0 HG3 LYS X 39 77.067 5.014 1.433 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.860 6.569 -0.009 1.00 1.00 H new ATOM 0 HD3 LYS X 39 76.362 6.072 -0.762 1.00 1.00 H new ATOM 0 HE2 LYS X 39 75.743 3.652 0.034 1.00 1.00 H new ATOM 0 HE3 LYS X 39 74.135 4.291 0.313 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 73.762 4.013 -1.853 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 74.888 5.242 -2.181 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 75.386 3.619 -2.155 1.00 1.00 H new ATOM 674 N ASP X 40 74.349 4.922 5.422 1.00 1.00 N ATOM 675 CA ASP X 40 73.309 4.979 6.438 1.00 1.00 C ATOM 676 C ASP X 40 73.804 5.678 7.708 1.00 1.00 C ATOM 677 O ASP X 40 73.129 6.558 8.241 1.00 1.00 O ATOM 678 CB ASP X 40 72.862 3.560 6.785 1.00 1.00 C ATOM 679 CG ASP X 40 72.050 2.966 5.638 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.663 3.717 4.758 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.825 1.768 5.660 1.00 1.00 O ATOM 0 H ASP X 40 74.626 3.980 5.146 1.00 1.00 H new ATOM 0 HA ASP X 40 72.474 5.553 6.037 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.733 2.936 6.985 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.263 3.572 7.696 1.00 1.00 H new ATOM 836 N ILE X 51 94.607 7.513 -0.969 1.00 1.00 N ATOM 837 CA ILE X 51 93.536 6.532 -0.796 1.00 1.00 C ATOM 838 C ILE X 51 92.409 7.132 0.034 1.00 1.00 C ATOM 839 O ILE X 51 92.556 7.365 1.234 1.00 1.00 O ATOM 840 CB ILE X 51 94.077 5.276 -0.087 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.224 4.659 -0.896 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.959 4.237 0.037 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.170 3.904 0.042 1.00 1.00 C ATOM 0 HA ILE X 51 93.155 6.256 -1.779 1.00 1.00 H new ATOM 0 HB ILE X 51 94.439 5.565 0.900 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.826 3.980 -1.650 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.769 5.440 -1.426 1.00 1.00 H new ATOM 0 HG21 ILE X 51 93.342 3.348 0.539 1.00 1.00 H new ATOM 0 HG22 ILE X 51 92.136 4.655 0.617 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.601 3.967 -0.957 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.984 3.467 -0.537 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.579 4.595 0.779 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.621 3.112 0.552 1.00 1.00 H new ATOM 855 N ASP X 52 91.283 7.386 -0.623 1.00 1.00 N ATOM 856 CA ASP X 52 90.131 7.968 0.051 1.00 1.00 C ATOM 857 C ASP X 52 89.226 6.872 0.590 1.00 1.00 C ATOM 858 O ASP X 52 88.293 7.132 1.350 1.00 1.00 O ATOM 859 CB ASP X 52 89.346 8.830 -0.934 1.00 1.00 C ATOM 860 CG ASP X 52 88.433 9.787 -0.174 1.00 1.00 C ATOM 861 OD1 ASP X 52 88.060 9.459 0.940 1.00 1.00 O ATOM 862 OD2 ASP X 52 88.151 10.851 -0.703 1.00 1.00 O ATOM 0 H ASP X 52 91.144 7.199 -1.616 1.00 1.00 H new ATOM 0 HA ASP X 52 90.482 8.581 0.881 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.033 9.393 -1.565 1.00 1.00 H new ATOM 0 HB3 ASP X 52 88.754 8.196 -1.594 1.00 1.00 H new ATOM 867 N ILE X 53 89.509 5.646 0.182 1.00 1.00 N ATOM 868 CA ILE X 53 88.721 4.507 0.614 1.00 1.00 C ATOM 869 C ILE X 53 88.998 4.167 2.065 1.00 1.00 C ATOM 870 O ILE X 53 88.230 3.445 2.701 1.00 1.00 O ATOM 871 CB ILE X 53 89.019 3.315 -0.265 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.486 3.620 -1.660 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.326 2.087 0.311 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.966 2.560 -2.635 1.00 1.00 C ATOM 0 H ILE X 53 90.278 5.416 -0.447 1.00 1.00 H new ATOM 0 HA ILE X 53 87.666 4.768 0.525 1.00 1.00 H new ATOM 0 HB ILE X 53 90.090 3.119 -0.313 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.396 3.648 -1.645 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.825 4.604 -1.982 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.536 1.222 -0.318 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.695 1.901 1.320 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.250 2.258 0.344 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.583 2.782 -3.631 1.00 1.00 H new ATOM 0 HD12 ILE X 53 90.056 2.554 -2.658 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.605 1.582 -2.316 1.00 1.00 H new ATOM 886 N LYS X 54 90.098 4.690 2.582 1.00 1.00 N ATOM 887 CA LYS X 54 90.467 4.439 3.959 1.00 1.00 C ATOM 888 C LYS X 54 89.345 4.865 4.893 1.00 1.00 C ATOM 889 O LYS X 54 89.004 4.148 5.828 1.00 1.00 O ATOM 890 CB LYS X 54 91.731 5.223 4.298 1.00 1.00 C ATOM 891 CG LYS X 54 92.967 4.455 3.830 1.00 1.00 C ATOM 892 CD LYS X 54 94.223 5.282 4.113 1.00 1.00 C ATOM 893 CE LYS X 54 95.460 4.466 3.736 1.00 1.00 C ATOM 894 NZ LYS X 54 96.691 5.262 4.006 1.00 1.00 N ATOM 0 H LYS X 54 90.746 5.288 2.069 1.00 1.00 H new ATOM 0 HA LYS X 54 90.648 3.372 4.086 1.00 1.00 H new ATOM 0 HB2 LYS X 54 91.700 6.202 3.821 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.785 5.394 5.373 1.00 1.00 H new ATOM 0 HG2 LYS X 54 93.028 3.496 4.344 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.893 4.241 2.764 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.198 6.210 3.542 1.00 1.00 H new ATOM 0 HD3 LYS X 54 94.262 5.557 5.167 1.00 1.00 H new ATOM 0 HE2 LYS X 54 95.483 3.538 4.308 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.418 4.190 2.682 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 97.529 4.703 3.748 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.670 6.135 3.442 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.733 5.504 5.017 1.00 1.00 H new ATOM 908 N ARG X 55 88.769 6.026 4.631 1.00 1.00 N ATOM 909 CA ARG X 55 87.682 6.519 5.460 1.00 1.00 C ATOM 910 C ARG X 55 86.462 5.610 5.348 1.00 1.00 C ATOM 911 O ARG X 55 85.723 5.432 6.317 1.00 1.00 O ATOM 912 CB ARG X 55 87.298 7.938 5.044 1.00 1.00 C ATOM 913 CG ARG X 55 88.425 8.899 5.420 1.00 1.00 C ATOM 914 CD ARG X 55 88.058 10.314 4.972 1.00 1.00 C ATOM 915 NE ARG X 55 89.140 11.235 5.297 1.00 1.00 N ATOM 916 CZ ARG X 55 89.341 11.644 6.545 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.562 11.224 7.504 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.318 12.468 6.812 1.00 1.00 N ATOM 0 H ARG X 55 89.032 6.639 3.860 1.00 1.00 H new ATOM 0 HA ARG X 55 88.024 6.526 6.495 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.115 7.977 3.970 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.372 8.235 5.536 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.591 8.878 6.497 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.357 8.587 4.948 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.868 10.327 3.899 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.138 10.633 5.462 1.00 1.00 H new ATOM 0 HE ARG X 55 89.753 11.571 4.554 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.798 10.581 7.296 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.717 11.539 8.462 1.00 1.00 H new ATOM 0 HH21 ARG X 55 90.927 12.797 6.063 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.473 12.782 7.770 1.00 1.00 H new ATOM 932 N TRP X 56 86.239 5.051 4.156 1.00 1.00 N ATOM 933 CA TRP X 56 85.087 4.186 3.947 1.00 1.00 C ATOM 934 C TRP X 56 85.232 2.890 4.741 1.00 1.00 C ATOM 935 O TRP X 56 84.338 2.509 5.499 1.00 1.00 O ATOM 936 CB TRP X 56 84.928 3.875 2.449 1.00 1.00 C ATOM 937 CG TRP X 56 83.824 2.881 2.231 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.790 2.671 3.079 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.626 1.972 1.110 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.971 1.690 2.548 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.444 1.228 1.336 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.350 1.724 -0.070 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.996 0.271 0.425 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.902 0.761 -0.989 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.727 0.037 -0.742 1.00 1.00 C ATOM 0 H TRP X 56 86.833 5.181 3.337 1.00 1.00 H new ATOM 0 HA TRP X 56 84.196 4.706 4.300 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.712 4.793 1.902 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.864 3.481 2.052 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.630 3.184 4.016 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.121 1.350 2.997 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.256 2.277 -0.271 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 81.091 -0.285 0.621 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.466 0.577 -1.891 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.387 -0.701 -1.454 1.00 1.00 H new ATOM 956 N ARG X 57 86.369 2.222 4.567 1.00 1.00 N ATOM 957 CA ARG X 57 86.625 0.973 5.275 1.00 1.00 C ATOM 958 C ARG X 57 86.866 1.221 6.761 1.00 1.00 C ATOM 959 O ARG X 57 86.600 0.358 7.584 1.00 1.00 O ATOM 960 CB ARG X 57 87.830 0.246 4.671 1.00 1.00 C ATOM 961 CG ARG X 57 87.355 -0.757 3.611 1.00 1.00 C ATOM 962 CD ARG X 57 86.617 -0.019 2.495 1.00 1.00 C ATOM 963 NE ARG X 57 86.919 -0.623 1.202 1.00 1.00 N ATOM 964 CZ ARG X 57 86.233 -1.665 0.745 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.262 -2.171 1.456 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.530 -2.185 -0.415 1.00 1.00 N ATOM 0 H ARG X 57 87.122 2.522 3.947 1.00 1.00 H new ATOM 0 HA ARG X 57 85.740 0.347 5.167 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.514 0.967 4.222 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.383 -0.273 5.454 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.208 -1.297 3.200 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.698 -1.498 4.066 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.543 -0.051 2.677 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.908 1.031 2.490 1.00 1.00 H new ATOM 0 HE ARG X 57 87.674 -0.236 0.636 1.00 1.00 H new ATOM 0 HH11 ARG X 57 85.030 -1.766 2.363 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.736 -2.971 1.104 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.289 -1.791 -0.971 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.003 -2.985 -0.765 1.00 1.00 H new ATOM 980 N ARG X 58 87.381 2.393 7.102 1.00 1.00 N ATOM 981 CA ARG X 58 87.644 2.709 8.500 1.00 1.00 C ATOM 982 C ARG X 58 86.352 2.691 9.311 1.00 1.00 C ATOM 983 O ARG X 58 86.297 2.114 10.396 1.00 1.00 O ATOM 984 CB ARG X 58 88.297 4.088 8.585 1.00 1.00 C ATOM 985 CG ARG X 58 88.419 4.546 10.038 1.00 1.00 C ATOM 986 CD ARG X 58 89.179 5.863 10.054 1.00 1.00 C ATOM 987 NE ARG X 58 90.595 5.633 9.793 1.00 1.00 N ATOM 988 CZ ARG X 58 91.419 6.651 9.561 1.00 1.00 C ATOM 989 NH1 ARG X 58 90.965 7.874 9.577 1.00 1.00 N ATOM 990 NH2 ARG X 58 92.681 6.426 9.318 1.00 1.00 N ATOM 0 H ARG X 58 87.623 3.132 6.442 1.00 1.00 H new ATOM 0 HA ARG X 58 88.314 1.957 8.916 1.00 1.00 H new ATOM 0 HB2 ARG X 58 89.285 4.056 8.126 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.707 4.810 8.021 1.00 1.00 H new ATOM 0 HG2 ARG X 58 87.432 4.671 10.482 1.00 1.00 H new ATOM 0 HG3 ARG X 58 88.943 3.796 10.631 1.00 1.00 H new ATOM 0 HD2 ARG X 58 88.768 6.537 9.302 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.055 6.351 11.021 1.00 1.00 H new ATOM 0 HE ARG X 58 90.958 4.680 9.788 1.00 1.00 H new ATOM 0 HH11 ARG X 58 89.978 8.049 9.767 1.00 1.00 H new ATOM 0 HH12 ARG X 58 91.597 8.655 9.399 1.00 1.00 H new ATOM 0 HH21 ARG X 58 93.035 5.470 9.306 1.00 1.00 H new ATOM 0 HH22 ARG X 58 93.313 7.206 9.140 1.00 1.00 H new ATOM 1004 N VAL X 59 85.315 3.322 8.774 1.00 1.00 N ATOM 1005 CA VAL X 59 84.025 3.370 9.454 1.00 1.00 C ATOM 1006 C VAL X 59 83.418 1.981 9.546 1.00 1.00 C ATOM 1007 O VAL X 59 82.904 1.592 10.592 1.00 1.00 O ATOM 1008 CB VAL X 59 83.069 4.292 8.697 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.668 4.180 9.297 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.548 5.740 8.807 1.00 1.00 C ATOM 0 H VAL X 59 85.340 3.805 7.876 1.00 1.00 H new ATOM 0 HA VAL X 59 84.183 3.755 10.461 1.00 1.00 H new ATOM 0 HB VAL X 59 83.045 3.996 7.648 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.987 4.838 8.757 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.319 3.151 9.216 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.697 4.472 10.347 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.863 6.392 8.266 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.577 6.035 9.856 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.546 5.827 8.378 1.00 1.00 H new ATOM 1020 N GLY X 60 83.471 1.236 8.450 1.00 1.00 N ATOM 1021 CA GLY X 60 82.910 -0.098 8.444 1.00 1.00 C ATOM 1022 C GLY X 60 83.725 -1.033 9.320 1.00 1.00 C ATOM 1023 O GLY X 60 83.182 -1.730 10.145 1.00 1.00 O ATOM 0 H GLY X 60 83.891 1.531 7.569 1.00 1.00 H new ATOM 0 HA2 GLY X 60 81.880 -0.065 8.800 1.00 1.00 H new ATOM 0 HA3 GLY X 60 82.883 -0.481 7.424 1.00 1.00 H new ATOM 1027 N ASP X 61 85.034 -1.034 9.140 1.00 1.00 N ATOM 1028 CA ASP X 61 85.901 -1.898 9.929 1.00 1.00 C ATOM 1029 C ASP X 61 85.664 -1.703 11.423 1.00 1.00 C ATOM 1030 O ASP X 61 85.596 -2.674 12.181 1.00 1.00 O ATOM 1031 CB ASP X 61 87.365 -1.592 9.604 1.00 1.00 C ATOM 1032 CG ASP X 61 88.280 -2.582 10.319 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.777 -3.356 11.116 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.470 -2.554 10.051 1.00 1.00 O ATOM 0 H ASP X 61 85.520 -0.451 8.459 1.00 1.00 H new ATOM 0 HA ASP X 61 85.670 -2.933 9.676 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.526 -1.649 8.527 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.608 -0.574 9.910 1.00 1.00 H new ATOM 1039 N CYS X 62 85.547 -0.451 11.848 1.00 1.00 N ATOM 1040 CA CYS X 62 85.334 -0.161 13.266 1.00 1.00 C ATOM 1041 C CYS X 62 83.954 -0.631 13.730 1.00 1.00 C ATOM 1042 O CYS X 62 83.822 -1.460 14.647 1.00 1.00 O ATOM 1043 CB CYS X 62 85.453 1.346 13.499 1.00 1.00 C ATOM 1044 SG CYS X 62 87.192 1.786 13.736 1.00 1.00 S ATOM 0 H CYS X 62 85.595 0.370 11.245 1.00 1.00 H new ATOM 0 HA CYS X 62 86.091 -0.696 13.839 1.00 1.00 H new ATOM 0 HB2 CYS X 62 85.042 1.890 12.648 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.871 1.636 14.374 1.00 1.00 H new ATOM 0 HG CYS X 62 87.293 3.067 13.932 1.00 1.00 H new ATOM 1050 N PHE X 63 82.923 -0.096 13.094 1.00 1.00 N ATOM 1051 CA PHE X 63 81.569 -0.457 13.456 1.00 1.00 C ATOM 1052 C PHE X 63 81.335 -1.954 13.249 1.00 1.00 C ATOM 1053 O PHE X 63 80.628 -2.596 14.025 1.00 1.00 O ATOM 1054 CB PHE X 63 80.569 0.356 12.633 1.00 1.00 C ATOM 1055 CG PHE X 63 79.984 1.460 13.489 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.254 1.141 14.641 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.166 2.799 13.127 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.707 2.161 15.429 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.619 3.820 13.914 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.889 3.500 15.065 1.00 1.00 C ATOM 0 H PHE X 63 83.000 0.581 12.335 1.00 1.00 H new ATOM 0 HA PHE X 63 81.422 -0.231 14.512 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.063 0.782 11.760 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.774 -0.292 12.265 1.00 1.00 H new ATOM 0 HD1 PHE X 63 79.113 0.108 14.922 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.729 3.046 12.239 1.00 1.00 H new ATOM 0 HE1 PHE X 63 78.145 1.914 16.318 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.760 4.853 13.633 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.466 4.287 15.672 1.00 1.00 H new ATOM 1070 N GLN X 64 81.953 -2.499 12.207 1.00 1.00 N ATOM 1071 CA GLN X 64 81.838 -3.919 11.888 1.00 1.00 C ATOM 1072 C GLN X 64 82.347 -4.756 13.040 1.00 1.00 C ATOM 1073 O GLN X 64 81.828 -5.829 13.302 1.00 1.00 O ATOM 1074 CB GLN X 64 82.660 -4.244 10.627 1.00 1.00 C ATOM 1075 CG GLN X 64 82.643 -5.748 10.322 1.00 1.00 C ATOM 1076 CD GLN X 64 83.617 -6.063 9.189 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.830 -6.012 9.390 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.159 -6.427 8.023 1.00 1.00 N ATOM 0 H GLN X 64 82.544 -1.974 11.563 1.00 1.00 H new ATOM 0 HA GLN X 64 80.788 -4.149 11.709 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.258 -3.694 9.776 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.688 -3.910 10.765 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.916 -6.311 11.214 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.636 -6.060 10.044 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.153 -6.468 7.860 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.807 -6.671 7.274 1.00 1.00 H new ATOM 1087 N ASP X 65 83.380 -4.286 13.710 1.00 1.00 N ATOM 1088 CA ASP X 65 83.936 -5.051 14.809 1.00 1.00 C ATOM 1089 C ASP X 65 82.892 -5.227 15.899 1.00 1.00 C ATOM 1090 O ASP X 65 82.764 -6.305 16.480 1.00 1.00 O ATOM 1091 CB ASP X 65 85.169 -4.350 15.380 1.00 1.00 C ATOM 1092 CG ASP X 65 86.332 -4.446 14.398 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.266 -5.275 13.505 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.267 -3.678 14.547 1.00 1.00 O ATOM 0 H ASP X 65 83.844 -3.398 13.519 1.00 1.00 H new ATOM 0 HA ASP X 65 84.233 -6.031 14.434 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.940 -3.304 15.583 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.448 -4.805 16.330 1.00 1.00 H new ATOM 1099 N TYR X 66 82.135 -4.168 16.167 1.00 1.00 N ATOM 1100 CA TYR X 66 81.099 -4.237 17.187 1.00 1.00 C ATOM 1101 C TYR X 66 79.899 -5.032 16.687 1.00 1.00 C ATOM 1102 O TYR X 66 79.343 -5.859 17.410 1.00 1.00 O ATOM 1103 CB TYR X 66 80.689 -2.817 17.584 1.00 1.00 C ATOM 1104 CG TYR X 66 79.312 -2.834 18.192 1.00 1.00 C ATOM 1105 CD1 TYR X 66 78.189 -2.843 17.355 1.00 1.00 C ATOM 1106 CD2 TYR X 66 79.148 -2.845 19.583 1.00 1.00 C ATOM 1107 CE1 TYR X 66 76.904 -2.864 17.909 1.00 1.00 C ATOM 1108 CE2 TYR X 66 77.862 -2.866 20.136 1.00 1.00 C ATOM 1109 CZ TYR X 66 76.741 -2.875 19.299 1.00 1.00 C ATOM 1110 OH TYR X 66 75.474 -2.893 19.845 1.00 1.00 O ATOM 0 H TYR X 66 82.218 -3.265 15.699 1.00 1.00 H new ATOM 0 HA TYR X 66 81.490 -4.754 18.063 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.406 -2.408 18.296 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.702 -2.167 16.709 1.00 1.00 H new ATOM 0 HD1 TYR X 66 78.315 -2.834 16.282 1.00 1.00 H new ATOM 0 HD2 TYR X 66 80.014 -2.837 20.229 1.00 1.00 H new ATOM 0 HE1 TYR X 66 76.038 -2.872 17.264 1.00 1.00 H new ATOM 0 HE2 TYR X 66 77.735 -2.875 21.209 1.00 1.00 H new ATOM 0 HH TYR X 66 75.198 -3.820 20.000 1.00 1.00 H new ATOM 1120 N TYR X 67 79.502 -4.772 15.452 1.00 1.00 N ATOM 1121 CA TYR X 67 78.364 -5.461 14.866 1.00 1.00 C ATOM 1122 C TYR X 67 78.655 -6.946 14.655 1.00 1.00 C ATOM 1123 O TYR X 67 77.782 -7.790 14.862 1.00 1.00 O ATOM 1124 CB TYR X 67 77.991 -4.788 13.540 1.00 1.00 C ATOM 1125 CG TYR X 67 77.311 -3.455 13.809 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.142 -3.408 14.579 1.00 1.00 C ATOM 1127 CD2 TYR X 67 77.847 -2.276 13.278 1.00 1.00 C ATOM 1128 CE1 TYR X 67 75.510 -2.182 14.817 1.00 1.00 C ATOM 1129 CE2 TYR X 67 77.215 -1.049 13.517 1.00 1.00 C ATOM 1130 CZ TYR X 67 76.046 -1.002 14.286 1.00 1.00 C ATOM 1131 OH TYR X 67 75.422 0.205 14.521 1.00 1.00 O ATOM 0 H TYR X 67 79.949 -4.091 14.838 1.00 1.00 H new ATOM 0 HA TYR X 67 77.524 -5.393 15.557 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.885 -4.634 12.936 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.327 -5.436 12.968 1.00 1.00 H new ATOM 0 HD1 TYR X 67 75.728 -4.317 14.989 1.00 1.00 H new ATOM 0 HD2 TYR X 67 78.748 -2.312 12.684 1.00 1.00 H new ATOM 0 HE1 TYR X 67 74.608 -2.146 15.411 1.00 1.00 H new ATOM 0 HE2 TYR X 67 77.629 -0.139 13.108 1.00 1.00 H new ATOM 0 HH TYR X 67 75.924 0.924 14.083 1.00 1.00 H new ATOM 1141 N ASN X 68 79.875 -7.265 14.248 1.00 1.00 N ATOM 1142 CA ASN X 68 80.253 -8.652 14.024 1.00 1.00 C ATOM 1143 C ASN X 68 80.190 -9.437 15.325 1.00 1.00 C ATOM 1144 O ASN X 68 79.684 -10.559 15.360 1.00 1.00 O ATOM 1145 CB ASN X 68 81.670 -8.720 13.465 1.00 1.00 C ATOM 1146 CG ASN X 68 81.655 -8.432 11.969 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.568 -7.968 11.414 1.00 1.00 O flip ATOM 1148 ND2 ASN X 68 82.654 -8.648 11.285 1.00 1.00 N flip ATOM 0 H ASN X 68 80.615 -6.587 14.067 1.00 1.00 H new ATOM 0 HA ASN X 68 79.555 -9.088 13.310 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.306 -7.998 13.976 1.00 1.00 H new ATOM 0 HB3 ASN X 68 82.095 -9.706 13.649 1.00 1.00 H new ATOM 0 HD21 ASN X 68 83.502 -9.010 11.721 1.00 1.00 H new ATOM 0 HD22 ASN X 68 82.635 -8.465 10.282 1.00 1.00 H new ATOM 1155 N THR X 69 80.699 -8.840 16.397 1.00 1.00 N ATOM 1156 CA THR X 69 80.678 -9.502 17.692 1.00 1.00 C ATOM 1157 C THR X 69 79.238 -9.700 18.136 1.00 1.00 C ATOM 1158 O THR X 69 78.850 -10.788 18.560 1.00 1.00 O ATOM 1159 CB THR X 69 81.437 -8.670 18.728 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.696 -8.288 18.193 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.652 -9.506 19.990 1.00 1.00 C ATOM 0 H THR X 69 81.125 -7.913 16.395 1.00 1.00 H new ATOM 0 HA THR X 69 81.166 -10.473 17.604 1.00 1.00 H new ATOM 0 HB THR X 69 80.861 -7.779 18.976 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.656 -7.355 17.896 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.193 -8.916 20.730 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.686 -9.803 20.398 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.231 -10.396 19.743 1.00 1.00 H new ATOM 1169 N PHE X 70 78.443 -8.640 18.024 1.00 1.00 N ATOM 1170 CA PHE X 70 77.038 -8.717 18.410 1.00 1.00 C ATOM 1171 C PHE X 70 76.289 -9.758 17.581 1.00 1.00 C ATOM 1172 O PHE X 70 75.484 -10.520 18.115 1.00 1.00 O ATOM 1173 CB PHE X 70 76.360 -7.358 18.233 1.00 1.00 C ATOM 1174 CG PHE X 70 76.457 -6.574 19.520 1.00 1.00 C ATOM 1175 CD1 PHE X 70 77.714 -6.272 20.056 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.296 -6.149 20.175 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.810 -5.544 21.249 1.00 1.00 C ATOM 1178 CE2 PHE X 70 75.391 -5.421 21.367 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.649 -5.119 21.904 1.00 1.00 C ATOM 0 H PHE X 70 78.742 -7.730 17.674 1.00 1.00 H new ATOM 0 HA PHE X 70 77.005 -9.012 19.459 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.835 -6.806 17.422 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.315 -7.495 17.956 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.610 -6.600 19.550 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.326 -6.383 19.761 1.00 1.00 H new ATOM 0 HE1 PHE X 70 78.780 -5.311 21.663 1.00 1.00 H new ATOM 0 HE2 PHE X 70 74.495 -5.092 21.872 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.723 -4.558 22.824 1.00 1.00 H new ATOM 1189 N GLY X 71 76.536 -9.778 16.272 1.00 1.00 N ATOM 1190 CA GLY X 71 75.848 -10.722 15.395 1.00 1.00 C ATOM 1191 C GLY X 71 75.749 -10.178 13.970 1.00 1.00 C ATOM 1192 O GLY X 71 76.372 -10.710 13.053 1.00 1.00 O ATOM 0 H GLY X 71 77.198 -9.161 15.801 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.382 -11.672 15.388 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.849 -10.920 15.782 1.00 1.00 H new ATOM 1196 N PRO X 72 74.985 -9.134 13.770 1.00 1.00 N ATOM 1197 CA PRO X 72 74.805 -8.500 12.434 1.00 1.00 C ATOM 1198 C PRO X 72 76.072 -8.563 11.582 1.00 1.00 C ATOM 1199 O PRO X 72 76.971 -7.733 11.710 1.00 1.00 O ATOM 1200 CB PRO X 72 74.421 -7.052 12.761 1.00 1.00 C ATOM 1201 CG PRO X 72 74.070 -7.013 14.224 1.00 1.00 C ATOM 1202 CD PRO X 72 74.194 -8.432 14.782 1.00 1.00 C ATOM 0 HA PRO X 72 74.051 -9.015 11.838 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.247 -6.375 12.544 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.576 -6.730 12.152 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.737 -6.335 14.757 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.056 -6.637 14.362 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.689 -8.439 15.753 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.217 -8.895 14.919 1.00 1.00 H new ATOM 1210 N GLU X 73 76.116 -9.565 10.713 1.00 1.00 N ATOM 1211 CA GLU X 73 77.251 -9.768 9.823 1.00 1.00 C ATOM 1212 C GLU X 73 77.043 -9.040 8.491 1.00 1.00 C ATOM 1213 O GLU X 73 77.866 -9.166 7.586 1.00 1.00 O ATOM 1214 CB GLU X 73 77.453 -11.267 9.577 1.00 1.00 C ATOM 1215 CG GLU X 73 76.225 -11.846 8.870 1.00 1.00 C ATOM 1216 CD GLU X 73 76.373 -13.356 8.724 1.00 1.00 C ATOM 1217 OE1 GLU X 73 77.450 -13.794 8.358 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.407 -14.053 8.988 1.00 1.00 O ATOM 0 H GLU X 73 75.372 -10.255 10.606 1.00 1.00 H new ATOM 0 HA GLU X 73 78.140 -9.355 10.299 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.344 -11.429 8.970 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.615 -11.782 10.524 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.324 -11.614 9.438 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.110 -11.387 7.888 1.00 1.00 H new ATOM 1225 N LYS X 74 75.931 -8.296 8.388 1.00 1.00 N ATOM 1226 CA LYS X 74 75.598 -7.551 7.166 1.00 1.00 C ATOM 1227 C LYS X 74 76.853 -7.166 6.406 1.00 1.00 C ATOM 1228 O LYS X 74 76.897 -7.252 5.179 1.00 1.00 O ATOM 1229 CB LYS X 74 74.797 -6.293 7.525 1.00 1.00 C ATOM 1230 CG LYS X 74 74.621 -5.412 6.285 1.00 1.00 C ATOM 1231 CD LYS X 74 73.730 -4.223 6.618 1.00 1.00 C ATOM 1232 CE LYS X 74 73.682 -3.304 5.402 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.824 -2.126 5.702 1.00 1.00 N ATOM 0 H LYS X 74 75.247 -8.195 9.138 1.00 1.00 H new ATOM 0 HA LYS X 74 74.995 -8.194 6.525 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.822 -6.574 7.923 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.312 -5.735 8.307 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.592 -5.063 5.935 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.180 -5.993 5.475 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.727 -4.561 6.878 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.120 -3.687 7.484 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.688 -2.977 5.141 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.288 -3.844 4.541 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.792 -1.500 4.872 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.862 -2.447 5.931 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.218 -1.607 6.512 1.00 1.00 H new ATOM 1247 N VAL X 75 77.865 -6.748 7.148 1.00 1.00 N ATOM 1248 CA VAL X 75 79.130 -6.364 6.555 1.00 1.00 C ATOM 1249 C VAL X 75 80.236 -7.308 7.042 1.00 1.00 C ATOM 1250 O VAL X 75 80.881 -7.035 8.049 1.00 1.00 O ATOM 1251 CB VAL X 75 79.478 -4.922 6.935 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.811 -3.959 5.952 1.00 1.00 C ATOM 1253 CG2 VAL X 75 79.004 -4.615 8.358 1.00 1.00 C ATOM 0 H VAL X 75 77.832 -6.667 8.164 1.00 1.00 H new ATOM 0 HA VAL X 75 79.046 -6.432 5.470 1.00 1.00 H new ATOM 0 HB VAL X 75 80.560 -4.798 6.892 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.059 -2.933 6.223 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.168 -4.164 4.943 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.730 -4.093 5.989 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.259 -3.586 8.612 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.924 -4.746 8.418 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.491 -5.293 9.058 1.00 1.00 H new ATOM 1263 N PRO X 76 80.459 -8.409 6.355 1.00 1.00 N ATOM 1264 CA PRO X 76 81.517 -9.402 6.734 1.00 1.00 C ATOM 1265 C PRO X 76 82.921 -8.794 6.747 1.00 1.00 C ATOM 1266 O PRO X 76 83.210 -7.856 6.005 1.00 1.00 O ATOM 1267 CB PRO X 76 81.421 -10.481 5.651 1.00 1.00 C ATOM 1268 CG PRO X 76 80.071 -10.322 5.041 1.00 1.00 C ATOM 1269 CD PRO X 76 79.723 -8.845 5.157 1.00 1.00 C ATOM 0 HA PRO X 76 81.358 -9.779 7.744 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.205 -10.357 4.904 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.543 -11.476 6.078 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.075 -10.640 3.998 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.335 -10.937 5.559 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.033 -8.289 4.272 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.649 -8.694 5.269 1.00 1.00 H new ATOM 1277 N VAL X 77 83.786 -9.336 7.604 1.00 1.00 N ATOM 1278 CA VAL X 77 85.158 -8.845 7.719 1.00 1.00 C ATOM 1279 C VAL X 77 85.928 -9.048 6.418 1.00 1.00 C ATOM 1280 O VAL X 77 86.848 -8.290 6.109 1.00 1.00 O ATOM 1281 CB VAL X 77 85.884 -9.565 8.858 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.080 -11.037 8.488 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.250 -8.911 9.088 1.00 1.00 C ATOM 0 H VAL X 77 83.562 -10.112 8.226 1.00 1.00 H new ATOM 0 HA VAL X 77 85.112 -7.777 7.932 1.00 1.00 H new ATOM 0 HB VAL X 77 85.289 -9.495 9.769 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.597 -11.550 9.299 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.109 -11.503 8.324 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.674 -11.107 7.577 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.767 -9.424 9.899 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.845 -8.981 8.177 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.112 -7.862 9.352 1.00 1.00 H new ATOM 1293 N THR X 78 85.555 -10.071 5.661 1.00 1.00 N ATOM 1294 CA THR X 78 86.230 -10.356 4.401 1.00 1.00 C ATOM 1295 C THR X 78 86.358 -9.083 3.558 1.00 1.00 C ATOM 1296 O THR X 78 87.085 -9.056 2.563 1.00 1.00 O ATOM 1297 CB THR X 78 85.449 -11.421 3.624 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.163 -10.914 3.299 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.298 -12.678 4.486 1.00 1.00 C ATOM 0 H THR X 78 84.796 -10.712 5.894 1.00 1.00 H new ATOM 0 HA THR X 78 87.231 -10.729 4.618 1.00 1.00 H new ATOM 0 HB THR X 78 85.987 -11.673 2.710 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.661 -11.592 2.800 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.742 -13.435 3.932 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.285 -13.066 4.740 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.760 -12.429 5.401 1.00 1.00 H new ATOM 1307 N ALA X 79 85.650 -8.032 3.968 1.00 1.00 N ATOM 1308 CA ALA X 79 85.690 -6.759 3.252 1.00 1.00 C ATOM 1309 C ALA X 79 87.095 -6.165 3.281 1.00 1.00 C ATOM 1310 O ALA X 79 87.569 -5.617 2.285 1.00 1.00 O ATOM 1311 CB ALA X 79 84.706 -5.775 3.890 1.00 1.00 C ATOM 0 H ALA X 79 85.044 -8.037 4.789 1.00 1.00 H new ATOM 0 HA ALA X 79 85.409 -6.939 2.214 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.739 -4.827 3.353 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.697 -6.185 3.840 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.980 -5.611 4.932 1.00 1.00 H new ATOM 1317 N PHE X 80 87.755 -6.275 4.426 1.00 1.00 N ATOM 1318 CA PHE X 80 89.104 -5.742 4.576 1.00 1.00 C ATOM 1319 C PHE X 80 90.071 -6.410 3.600 1.00 1.00 C ATOM 1320 O PHE X 80 90.891 -5.745 2.968 1.00 1.00 O ATOM 1321 CB PHE X 80 89.589 -5.957 6.013 1.00 1.00 C ATOM 1322 CG PHE X 80 91.011 -5.466 6.143 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.073 -6.251 5.677 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.266 -4.220 6.727 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.390 -5.789 5.796 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.582 -3.758 6.847 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.644 -4.543 6.381 1.00 1.00 C ATOM 0 H PHE X 80 87.381 -6.726 5.261 1.00 1.00 H new ATOM 0 HA PHE X 80 89.076 -4.675 4.354 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.943 -5.423 6.710 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.533 -7.014 6.273 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.877 -7.212 5.226 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.447 -3.614 7.085 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.209 -6.394 5.436 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.778 -2.797 7.299 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.659 -4.187 6.473 1.00 1.00 H new ATOM 1337 N SER X 81 89.989 -7.731 3.499 1.00 1.00 N ATOM 1338 CA SER X 81 90.882 -8.483 2.616 1.00 1.00 C ATOM 1339 C SER X 81 90.787 -7.978 1.175 1.00 1.00 C ATOM 1340 O SER X 81 91.797 -7.621 0.544 1.00 1.00 O ATOM 1341 CB SER X 81 90.497 -9.962 2.656 1.00 1.00 C ATOM 1342 OG SER X 81 89.245 -10.138 2.001 1.00 1.00 O ATOM 0 H SER X 81 89.319 -8.304 4.012 1.00 1.00 H new ATOM 0 HA SER X 81 91.906 -8.346 2.962 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.264 -10.563 2.168 1.00 1.00 H new ATOM 0 HB3 SER X 81 90.432 -10.305 3.688 1.00 1.00 H new ATOM 0 HG SER X 81 88.550 -9.647 2.487 1.00 1.00 H new ATOM 1348 N TYR X 82 89.568 -7.934 0.660 1.00 1.00 N ATOM 1349 CA TYR X 82 89.350 -7.465 -0.699 1.00 1.00 C ATOM 1350 C TYR X 82 89.809 -6.018 -0.813 1.00 1.00 C ATOM 1351 O TYR X 82 90.366 -5.594 -1.835 1.00 1.00 O ATOM 1352 CB TYR X 82 87.863 -7.587 -1.056 1.00 1.00 C ATOM 1353 CG TYR X 82 87.370 -9.001 -0.775 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.035 -10.106 -1.321 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.244 -9.192 0.036 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.574 -11.401 -1.056 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.783 -10.488 0.300 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.448 -11.591 -0.246 1.00 1.00 C ATOM 1359 OH TYR X 82 85.993 -12.870 0.016 1.00 1.00 O ATOM 0 H TYR X 82 88.722 -8.214 1.157 1.00 1.00 H new ATOM 0 HA TYR X 82 89.925 -8.074 -1.396 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.282 -6.869 -0.477 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.713 -7.344 -2.108 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.903 -9.959 -1.946 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.731 -8.340 0.458 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.087 -12.253 -1.476 1.00 1.00 H new ATOM 0 HE2 TYR X 82 84.915 -10.636 0.925 1.00 1.00 H new ATOM 0 HH TYR X 82 85.418 -13.169 -0.719 1.00 1.00 H new ATOM 1369 N TRP X 83 89.602 -5.261 0.248 1.00 1.00 N ATOM 1370 CA TRP X 83 90.022 -3.877 0.246 1.00 1.00 C ATOM 1371 C TRP X 83 91.538 -3.797 0.102 1.00 1.00 C ATOM 1372 O TRP X 83 92.066 -2.849 -0.476 1.00 1.00 O ATOM 1373 CB TRP X 83 89.574 -3.170 1.516 1.00 1.00 C ATOM 1374 CG TRP X 83 90.164 -1.801 1.550 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.242 -0.955 0.497 1.00 1.00 C ATOM 1376 CD2 TRP X 83 90.740 -1.093 2.686 1.00 1.00 C ATOM 1377 NE1 TRP X 83 90.829 0.225 0.914 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.155 0.189 2.256 1.00 1.00 C ATOM 1379 CE3 TRP X 83 90.941 -1.437 4.036 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 91.748 1.099 3.132 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 91.539 -0.524 4.920 1.00 1.00 C ATOM 1382 CH2 TRP X 83 91.941 0.741 4.470 1.00 1.00 C ATOM 0 H TRP X 83 89.153 -5.576 1.108 1.00 1.00 H new ATOM 0 HA TRP X 83 89.555 -3.375 -0.601 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.486 -3.111 1.549 1.00 1.00 H new ATOM 0 HB3 TRP X 83 89.889 -3.737 2.392 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.901 -1.167 -0.506 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.001 1.025 0.305 1.00 1.00 H new ATOM 0 HE3 TRP X 83 90.634 -2.408 4.394 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.056 2.072 2.779 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 91.690 -0.799 5.954 1.00 1.00 H new ATOM 0 HH2 TRP X 83 92.399 1.438 5.156 1.00 1.00 H new ATOM 1393 N ASN X 84 92.237 -4.800 0.628 1.00 1.00 N ATOM 1394 CA ASN X 84 93.691 -4.821 0.539 1.00 1.00 C ATOM 1395 C ASN X 84 94.094 -4.791 -0.921 1.00 1.00 C ATOM 1396 O ASN X 84 95.061 -4.126 -1.300 1.00 1.00 O ATOM 1397 CB ASN X 84 94.258 -6.090 1.165 1.00 1.00 C ATOM 1398 CG ASN X 84 95.590 -5.791 1.843 1.00 1.00 C ATOM 1399 OD1 ASN X 84 95.725 -4.776 2.526 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.585 -6.623 1.702 1.00 1.00 N ATOM 0 H ASN X 84 91.826 -5.597 1.113 1.00 1.00 H new ATOM 0 HA ASN X 84 94.082 -3.955 1.073 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.553 -6.492 1.893 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.395 -6.853 0.399 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.477 -6.433 2.158 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.471 -7.463 1.135 1.00 1.00 H new ATOM 1407 N LEU X 85 93.349 -5.514 -1.754 1.00 1.00 N ATOM 1408 CA LEU X 85 93.675 -5.530 -3.168 1.00 1.00 C ATOM 1409 C LEU X 85 93.581 -4.113 -3.722 1.00 1.00 C ATOM 1410 O LEU X 85 94.432 -3.690 -4.504 1.00 1.00 O ATOM 1411 CB LEU X 85 92.743 -6.467 -3.945 1.00 1.00 C ATOM 1412 CG LEU X 85 93.229 -7.920 -3.814 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.557 -8.127 -4.559 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.430 -8.247 -2.337 1.00 1.00 C ATOM 0 H LEU X 85 92.543 -6.077 -1.483 1.00 1.00 H new ATOM 0 HA LEU X 85 94.692 -5.905 -3.286 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.726 -6.379 -3.564 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.716 -6.177 -4.995 1.00 1.00 H new ATOM 0 HG LEU X 85 92.479 -8.578 -4.253 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.878 -9.163 -4.450 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.421 -7.899 -5.616 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.316 -7.466 -4.140 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.775 -9.276 -2.236 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.173 -7.572 -1.913 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.486 -8.127 -1.806 1.00 1.00 H new ATOM 1426 N ILE X 86 92.563 -3.360 -3.300 1.00 1.00 N ATOM 1427 CA ILE X 86 92.428 -1.988 -3.774 1.00 1.00 C ATOM 1428 C ILE X 86 93.619 -1.134 -3.345 1.00 1.00 C ATOM 1429 O ILE X 86 94.145 -0.356 -4.140 1.00 1.00 O ATOM 1430 CB ILE X 86 91.152 -1.391 -3.229 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.958 -2.071 -3.891 1.00 1.00 C ATOM 1432 CG2 ILE X 86 91.118 0.113 -3.495 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.690 -1.707 -3.129 1.00 1.00 C ATOM 0 H ILE X 86 91.841 -3.668 -2.649 1.00 1.00 H new ATOM 0 HA ILE X 86 92.397 -2.003 -4.863 1.00 1.00 H new ATOM 0 HB ILE X 86 91.108 -1.550 -2.152 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.875 -1.756 -4.931 1.00 1.00 H new ATOM 0 HG13 ILE X 86 90.096 -3.152 -3.896 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.194 0.532 -3.098 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.970 0.588 -3.009 1.00 1.00 H new ATOM 0 HG23 ILE X 86 91.166 0.294 -4.569 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.833 -2.190 -3.598 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.777 -2.044 -2.096 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.552 -0.626 -3.147 1.00 1.00 H new ATOM 1445 N LYS X 87 94.052 -1.266 -2.093 1.00 1.00 N ATOM 1446 CA LYS X 87 95.185 -0.476 -1.624 1.00 1.00 C ATOM 1447 C LYS X 87 96.328 -0.534 -2.623 1.00 1.00 C ATOM 1448 O LYS X 87 96.826 0.497 -3.074 1.00 1.00 O ATOM 1449 CB LYS X 87 95.687 -1.014 -0.287 1.00 1.00 C ATOM 1450 CG LYS X 87 94.804 -0.489 0.832 1.00 1.00 C ATOM 1451 CD LYS X 87 95.277 -1.080 2.158 1.00 1.00 C ATOM 1452 CE LYS X 87 94.349 -0.625 3.279 1.00 1.00 C ATOM 1453 NZ LYS X 87 94.376 0.862 3.361 1.00 1.00 N ATOM 0 H LYS X 87 93.647 -1.896 -1.401 1.00 1.00 H new ATOM 0 HA LYS X 87 94.848 0.554 -1.510 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.675 -2.104 -0.294 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.720 -0.707 -0.124 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.849 0.599 0.868 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.764 -0.759 0.649 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.288 -2.168 2.100 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.299 -0.762 2.366 1.00 1.00 H new ATOM 0 HE2 LYS X 87 93.333 -0.973 3.091 1.00 1.00 H new ATOM 0 HE3 LYS X 87 94.664 -1.060 4.228 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 94.659 1.152 4.319 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.058 1.235 2.670 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 93.429 1.238 3.151 1.00 1.00 H new ATOM 1467 N GLU X 88 96.733 -1.742 -2.962 1.00 1.00 N ATOM 1468 CA GLU X 88 97.820 -1.936 -3.909 1.00 1.00 C ATOM 1469 C GLU X 88 97.494 -1.287 -5.250 1.00 1.00 C ATOM 1470 O GLU X 88 98.390 -0.810 -5.949 1.00 1.00 O ATOM 1471 CB GLU X 88 98.063 -3.433 -4.105 1.00 1.00 C ATOM 1472 CG GLU X 88 98.583 -4.043 -2.804 1.00 1.00 C ATOM 1473 CD GLU X 88 100.002 -3.570 -2.505 1.00 1.00 C ATOM 1474 OE1 GLU X 88 100.687 -3.160 -3.427 1.00 1.00 O ATOM 1475 OE2 GLU X 88 100.380 -3.630 -1.347 1.00 1.00 O ATOM 0 H GLU X 88 96.328 -2.605 -2.598 1.00 1.00 H new ATOM 0 HA GLU X 88 98.718 -1.466 -3.510 1.00 1.00 H new ATOM 0 HB2 GLU X 88 97.138 -3.926 -4.405 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.784 -3.593 -4.907 1.00 1.00 H new ATOM 0 HG2 GLU X 88 97.924 -3.768 -1.981 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.566 -5.130 -2.876 1.00 1.00 H new ATOM 1482 N LEU X 89 96.214 -1.275 -5.619 1.00 1.00 N ATOM 1483 CA LEU X 89 95.822 -0.684 -6.896 1.00 1.00 C ATOM 1484 C LEU X 89 95.974 0.836 -6.872 1.00 1.00 C ATOM 1485 O LEU X 89 96.569 1.423 -7.777 1.00 1.00 O ATOM 1486 CB LEU X 89 94.362 -1.043 -7.196 1.00 1.00 C ATOM 1487 CG LEU X 89 93.932 -0.458 -8.550 1.00 1.00 C ATOM 1488 CD1 LEU X 89 94.735 -1.103 -9.686 1.00 1.00 C ATOM 1489 CD2 LEU X 89 92.446 -0.733 -8.760 1.00 1.00 C ATOM 0 H LEU X 89 95.447 -1.658 -5.066 1.00 1.00 H new ATOM 0 HA LEU X 89 96.475 -1.082 -7.672 1.00 1.00 H new ATOM 0 HB2 LEU X 89 94.242 -2.126 -7.207 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.717 -0.659 -6.406 1.00 1.00 H new ATOM 0 HG LEU X 89 94.118 0.616 -8.553 1.00 1.00 H new ATOM 0 HD11 LEU X 89 94.420 -0.680 -10.640 1.00 1.00 H new ATOM 0 HD12 LEU X 89 95.797 -0.910 -9.536 1.00 1.00 H new ATOM 0 HD13 LEU X 89 94.559 -2.179 -9.691 1.00 1.00 H new ATOM 0 HD21 LEU X 89 92.132 -0.321 -9.719 1.00 1.00 H new ATOM 0 HD22 LEU X 89 92.270 -1.809 -8.752 1.00 1.00 H new ATOM 0 HD23 LEU X 89 91.873 -0.266 -7.959 1.00 1.00 H new ATOM 1501 N ILE X 90 95.414 1.464 -5.845 1.00 1.00 N ATOM 1502 CA ILE X 90 95.471 2.918 -5.718 1.00 1.00 C ATOM 1503 C ILE X 90 96.822 3.374 -5.187 1.00 1.00 C ATOM 1504 O ILE X 90 97.383 4.366 -5.654 1.00 1.00 O ATOM 1505 CB ILE X 90 94.351 3.401 -4.793 1.00 1.00 C ATOM 1506 CG1 ILE X 90 93.015 2.902 -5.333 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.319 4.930 -4.778 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.920 3.113 -4.293 1.00 1.00 C ATOM 0 H ILE X 90 94.916 0.993 -5.090 1.00 1.00 H new ATOM 0 HA ILE X 90 95.337 3.353 -6.709 1.00 1.00 H new ATOM 0 HB ILE X 90 94.527 3.022 -3.786 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.763 3.433 -6.251 1.00 1.00 H new ATOM 0 HG13 ILE X 90 93.088 1.844 -5.587 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.521 5.271 -4.119 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.275 5.310 -4.417 1.00 1.00 H new ATOM 0 HG23 ILE X 90 94.139 5.300 -5.787 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.969 2.754 -4.687 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.168 2.561 -3.386 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.838 4.175 -4.061 1.00 1.00 H new ATOM 1520 N ASP X 91 97.331 2.653 -4.196 1.00 1.00 N ATOM 1521 CA ASP X 91 98.613 3.003 -3.591 1.00 1.00 C ATOM 1522 C ASP X 91 99.708 3.036 -4.648 1.00 1.00 C ATOM 1523 O ASP X 91 100.460 4.003 -4.748 1.00 1.00 O ATOM 1524 CB ASP X 91 98.986 1.972 -2.524 1.00 1.00 C ATOM 1525 CG ASP X 91 100.287 2.374 -1.836 1.00 1.00 C ATOM 1526 OD1 ASP X 91 100.837 3.401 -2.199 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.705 1.655 -0.943 1.00 1.00 O ATOM 0 H ASP X 91 96.882 1.829 -3.796 1.00 1.00 H new ATOM 0 HA ASP X 91 98.519 3.989 -3.136 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.186 1.894 -1.788 1.00 1.00 H new ATOM 0 HB3 ASP X 91 99.096 0.989 -2.981 1.00 1.00 H new