USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -4.9! C(o=-6.1!,f=-6.5!) USER MOD Set 1.2: A 26 TYR OH : rot 70:sc= -1.17 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 0.508 (180deg=0.00404) USER MOD Single : A 7 THR OG1 : rot -62:sc= 1.11 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -1.11! (180deg=-1.84!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 30 CYS SG : rot -13:sc= -6.57! USER MOD Single : A 33 CYS SG : rot -94:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ -132:sc= -0.87 (180deg=-3.19!) USER MOD Single : A 35 MET CE :methyl -155:sc= -0.463 (180deg=-1.59) USER MOD Single : A 39 MET CE :methyl 174:sc= -7.49! (180deg=-7.57!) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0392 (180deg=-0.26) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 47 TYR OH : rot -105:sc= -3.96! USER MOD Single : A 49 GLN : amide:sc= -1.78 K(o=-1.8,f=-7.5!) USER MOD Single : A 53 TYR OH : rot 159:sc= 0.925 USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0.889 (180deg=0.812) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.512 F(o=-2.4!,f=-0.51) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 1.24 (180deg=0.903) USER MOD Single : A 67 ASN :FLIP amide:sc= -6.1! C(o=-7.3!,f=-6.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 157:sc= -5.24! (180deg=-6.04!) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.689 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.25 (180deg=0.998) USER MOD Single : A 80 ASN : amide:sc= -2.81 K(o=-2.8,f=-6.3!) USER MOD Single : A 82 LYS NZ :NH3+ 133:sc= 0.0515 (180deg=-0.354) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.09) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.242 F(o=-1.1,f=-0.24) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.64) USER MOD Single : A 102 ASN : amide:sc= -0.682 K(o=-0.68,f=-2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.414 -4.351 9.153 1.00 0.00 N ATOM 21 CA VAL A 2 -2.349 -4.071 8.211 1.00 0.00 C ATOM 22 C VAL A 2 -1.054 -3.711 8.947 1.00 0.00 C ATOM 23 O VAL A 2 -1.071 -2.960 9.922 1.00 0.00 O ATOM 24 CB VAL A 2 -2.781 -2.934 7.264 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.676 -2.560 6.299 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.034 -3.336 6.504 1.00 0.00 C ATOM 0 HA VAL A 2 -2.154 -4.965 7.619 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.997 -2.056 7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.018 -1.755 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.802 -2.227 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.411 -3.428 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.331 -2.526 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.832 -4.232 5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.839 -3.538 7.211 1.00 0.00 H new ATOM 36 N THR A 3 0.057 -4.262 8.476 1.00 0.00 N ATOM 37 CA THR A 3 1.341 -4.152 9.168 1.00 0.00 C ATOM 38 C THR A 3 2.064 -2.843 8.847 1.00 0.00 C ATOM 39 O THR A 3 2.012 -2.347 7.728 1.00 0.00 O ATOM 40 CB THR A 3 2.240 -5.352 8.804 1.00 0.00 C ATOM 41 OG1 THR A 3 1.515 -6.572 9.012 1.00 0.00 O ATOM 42 CG2 THR A 3 3.514 -5.375 9.640 1.00 0.00 C ATOM 0 H THR A 3 0.097 -4.796 7.608 1.00 0.00 H new ATOM 0 HA THR A 3 1.134 -4.155 10.238 1.00 0.00 H new ATOM 0 HB THR A 3 2.524 -5.253 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.085 -7.335 8.779 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.121 -6.234 9.355 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.079 -4.459 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.255 -5.449 10.696 1.00 0.00 H new ATOM 50 N GLN A 4 2.743 -2.304 9.849 1.00 0.00 N ATOM 51 CA GLN A 4 3.408 -1.011 9.749 1.00 0.00 C ATOM 52 C GLN A 4 4.887 -1.163 9.368 1.00 0.00 C ATOM 53 O GLN A 4 5.603 -1.981 9.946 1.00 0.00 O ATOM 54 CB GLN A 4 3.291 -0.307 11.101 1.00 0.00 C ATOM 55 CG GLN A 4 3.872 1.101 11.128 1.00 0.00 C ATOM 56 CD GLN A 4 3.249 2.025 10.100 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.901 2.938 9.592 1.00 0.00 O ATOM 58 NE2 GLN A 4 1.979 1.823 9.807 1.00 0.00 N ATOM 0 H GLN A 4 2.849 -2.753 10.759 1.00 0.00 H new ATOM 0 HA GLN A 4 2.928 -0.426 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.239 -0.259 11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.795 -0.910 11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.731 1.526 12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.947 1.047 10.954 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.470 1.057 10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.506 2.433 9.140 1.00 0.00 H new ATOM 67 N PHE A 5 5.328 -0.377 8.390 1.00 0.00 N ATOM 68 CA PHE A 5 6.747 -0.291 8.039 1.00 0.00 C ATOM 69 C PHE A 5 7.399 0.861 8.794 1.00 0.00 C ATOM 70 O PHE A 5 6.714 1.758 9.286 1.00 0.00 O ATOM 71 CB PHE A 5 6.940 -0.025 6.543 1.00 0.00 C ATOM 72 CG PHE A 5 6.633 -1.168 5.623 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.846 -2.481 6.010 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.153 -0.916 4.350 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.583 -3.519 5.139 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.891 -1.949 3.476 1.00 0.00 C ATOM 77 CZ PHE A 5 6.106 -3.252 3.872 1.00 0.00 C ATOM 0 H PHE A 5 4.721 0.214 7.822 1.00 0.00 H new ATOM 0 HA PHE A 5 7.202 -1.245 8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.312 0.820 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.974 0.278 6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.221 -2.694 7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.981 0.103 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.751 -4.540 5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.519 -1.738 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.901 -4.064 3.190 1.00 0.00 H new ATOM 87 N LYS A 6 8.717 0.826 8.901 1.00 0.00 N ATOM 88 CA LYS A 6 9.468 1.964 9.404 1.00 0.00 C ATOM 89 C LYS A 6 10.708 2.219 8.546 1.00 0.00 C ATOM 90 O LYS A 6 11.435 3.182 8.770 1.00 0.00 O ATOM 91 CB LYS A 6 9.856 1.747 10.870 1.00 0.00 C ATOM 92 CG LYS A 6 10.846 0.615 11.091 1.00 0.00 C ATOM 93 CD LYS A 6 10.751 0.059 12.500 1.00 0.00 C ATOM 94 CE LYS A 6 9.463 -0.727 12.707 1.00 0.00 C ATOM 95 NZ LYS A 6 9.408 -1.951 11.858 1.00 0.00 N ATOM 0 H LYS A 6 9.289 0.021 8.646 1.00 0.00 H new ATOM 0 HA LYS A 6 8.831 2.846 9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.283 2.670 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.954 1.544 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.656 -0.181 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.858 0.975 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.607 -0.587 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.798 0.877 13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.377 -1.010 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.609 -0.089 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.667 -2.588 12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.192 -1.683 10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.327 -2.437 11.890 1.00 0.00 H new ATOM 109 N THR A 7 10.954 1.343 7.570 1.00 0.00 N ATOM 110 CA THR A 7 12.113 1.478 6.692 1.00 0.00 C ATOM 111 C THR A 7 11.771 1.086 5.253 1.00 0.00 C ATOM 112 O THR A 7 10.815 0.340 5.002 1.00 0.00 O ATOM 113 CB THR A 7 13.294 0.612 7.184 1.00 0.00 C ATOM 114 OG1 THR A 7 12.843 -0.714 7.486 1.00 0.00 O ATOM 115 CG2 THR A 7 13.951 1.219 8.414 1.00 0.00 C ATOM 0 H THR A 7 10.366 0.534 7.369 1.00 0.00 H new ATOM 0 HA THR A 7 12.405 2.528 6.716 1.00 0.00 H new ATOM 0 HB THR A 7 14.033 0.573 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.180 -0.678 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.778 0.586 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.328 2.213 8.172 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.219 1.294 9.218 1.00 0.00 H new ATOM 123 N ALA A 8 12.556 1.592 4.307 1.00 0.00 N ATOM 124 CA ALA A 8 12.336 1.297 2.899 1.00 0.00 C ATOM 125 C ALA A 8 12.707 -0.143 2.579 1.00 0.00 C ATOM 126 O ALA A 8 12.144 -0.748 1.668 1.00 0.00 O ATOM 127 CB ALA A 8 13.118 2.251 2.018 1.00 0.00 C ATOM 0 H ALA A 8 13.348 2.207 4.491 1.00 0.00 H new ATOM 0 HA ALA A 8 11.274 1.431 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.937 2.010 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.798 3.274 2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.182 2.156 2.234 1.00 0.00 H new ATOM 133 N SER A 9 13.656 -0.688 3.329 1.00 0.00 N ATOM 134 CA SER A 9 14.024 -2.088 3.182 1.00 0.00 C ATOM 135 C SER A 9 12.834 -2.975 3.531 1.00 0.00 C ATOM 136 O SER A 9 12.606 -4.001 2.895 1.00 0.00 O ATOM 137 CB SER A 9 15.226 -2.419 4.064 1.00 0.00 C ATOM 138 OG SER A 9 16.338 -1.604 3.725 1.00 0.00 O ATOM 0 H SER A 9 14.182 -0.183 4.042 1.00 0.00 H new ATOM 0 HA SER A 9 14.305 -2.275 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.966 -2.270 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.490 -3.470 3.947 1.00 0.00 H new ATOM 0 HG SER A 9 17.097 -1.830 4.302 1.00 0.00 H new ATOM 144 N GLU A 10 12.079 -2.567 4.549 1.00 0.00 N ATOM 145 CA GLU A 10 10.816 -3.197 4.875 1.00 0.00 C ATOM 146 C GLU A 10 9.874 -3.207 3.679 1.00 0.00 C ATOM 147 O GLU A 10 9.235 -4.228 3.404 1.00 0.00 O ATOM 148 CB GLU A 10 10.181 -2.472 6.050 1.00 0.00 C ATOM 149 CG GLU A 10 10.672 -2.980 7.381 1.00 0.00 C ATOM 150 CD GLU A 10 10.117 -2.195 8.534 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.539 -1.047 8.709 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.258 -2.712 9.269 1.00 0.00 O ATOM 0 H GLU A 10 12.330 -1.793 5.164 1.00 0.00 H new ATOM 0 HA GLU A 10 11.005 -4.235 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.394 -1.406 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.098 -2.585 5.999 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.394 -4.028 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.761 -2.935 7.405 1.00 0.00 H new ATOM 159 N PHE A 11 9.788 -2.080 2.965 1.00 0.00 N ATOM 160 CA PHE A 11 8.966 -2.018 1.758 1.00 0.00 C ATOM 161 C PHE A 11 9.405 -3.108 0.775 1.00 0.00 C ATOM 162 O PHE A 11 8.608 -3.964 0.396 1.00 0.00 O ATOM 163 CB PHE A 11 9.045 -0.620 1.113 1.00 0.00 C ATOM 164 CG PHE A 11 8.034 -0.366 0.015 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.217 -0.893 -1.253 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.909 0.424 0.246 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.306 -0.645 -2.265 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.992 0.674 -0.771 1.00 0.00 C ATOM 169 CZ PHE A 11 6.196 0.138 -2.023 1.00 0.00 C ATOM 0 H PHE A 11 10.270 -1.212 3.199 1.00 0.00 H new ATOM 0 HA PHE A 11 7.925 -2.195 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.911 0.131 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.046 -0.480 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.083 -1.506 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.747 0.847 1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.464 -1.066 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.123 1.286 -0.579 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.487 0.330 -2.815 1.00 0.00 H new ATOM 179 N ASP A 12 10.688 -3.094 0.417 1.00 0.00 N ATOM 180 CA ASP A 12 11.261 -4.077 -0.521 1.00 0.00 C ATOM 181 C ASP A 12 11.043 -5.510 -0.051 1.00 0.00 C ATOM 182 O ASP A 12 10.691 -6.381 -0.842 1.00 0.00 O ATOM 183 CB ASP A 12 12.768 -3.863 -0.698 1.00 0.00 C ATOM 184 CG ASP A 12 13.112 -2.648 -1.525 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.873 -2.666 -2.751 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.649 -1.674 -0.959 1.00 0.00 O ATOM 0 H ASP A 12 11.361 -2.409 0.762 1.00 0.00 H new ATOM 0 HA ASP A 12 10.745 -3.924 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.231 -3.767 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.199 -4.747 -1.168 1.00 0.00 H new ATOM 191 N SER A 13 11.270 -5.750 1.235 1.00 0.00 N ATOM 192 CA SER A 13 11.144 -7.087 1.805 1.00 0.00 C ATOM 193 C SER A 13 9.745 -7.649 1.572 1.00 0.00 C ATOM 194 O SER A 13 9.583 -8.837 1.297 1.00 0.00 O ATOM 195 CB SER A 13 11.458 -7.052 3.305 1.00 0.00 C ATOM 196 OG SER A 13 11.409 -8.348 3.877 1.00 0.00 O ATOM 0 H SER A 13 11.544 -5.032 1.906 1.00 0.00 H new ATOM 0 HA SER A 13 11.860 -7.740 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.447 -6.622 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.745 -6.402 3.812 1.00 0.00 H new ATOM 0 HG SER A 13 11.615 -8.291 4.833 1.00 0.00 H new ATOM 202 N ALA A 14 8.743 -6.790 1.679 1.00 0.00 N ATOM 203 CA ALA A 14 7.377 -7.191 1.427 1.00 0.00 C ATOM 204 C ALA A 14 7.142 -7.369 -0.064 1.00 0.00 C ATOM 205 O ALA A 14 6.394 -8.248 -0.488 1.00 0.00 O ATOM 206 CB ALA A 14 6.408 -6.174 2.006 1.00 0.00 C ATOM 0 H ALA A 14 8.856 -5.810 1.939 1.00 0.00 H new ATOM 0 HA ALA A 14 7.201 -8.148 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.385 -6.492 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.561 -6.097 3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.582 -5.202 1.545 1.00 0.00 H new ATOM 212 N ILE A 15 7.803 -6.533 -0.853 1.00 0.00 N ATOM 213 CA ILE A 15 7.672 -6.573 -2.303 1.00 0.00 C ATOM 214 C ILE A 15 8.214 -7.879 -2.866 1.00 0.00 C ATOM 215 O ILE A 15 7.612 -8.480 -3.753 1.00 0.00 O ATOM 216 CB ILE A 15 8.431 -5.415 -2.976 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.974 -4.065 -2.455 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.259 -5.447 -4.476 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.473 -3.929 -2.315 1.00 0.00 C ATOM 0 H ILE A 15 8.440 -5.814 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 15 6.607 -6.484 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 15 9.484 -5.550 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.436 -3.888 -1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.337 -3.287 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.806 -4.617 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.645 -6.389 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.201 -5.358 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.231 -2.936 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.002 -4.072 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.103 -4.682 -1.619 1.00 0.00 H new ATOM 231 N ALA A 16 9.335 -8.327 -2.313 1.00 0.00 N ATOM 232 CA ALA A 16 10.071 -9.469 -2.853 1.00 0.00 C ATOM 233 C ALA A 16 9.419 -10.795 -2.485 1.00 0.00 C ATOM 234 O ALA A 16 10.025 -11.860 -2.621 1.00 0.00 O ATOM 235 CB ALA A 16 11.514 -9.431 -2.372 1.00 0.00 C ATOM 0 H ALA A 16 9.759 -7.913 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 16 10.051 -9.393 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.056 -10.285 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.986 -8.508 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.536 -9.473 -1.283 1.00 0.00 H new ATOM 241 N GLN A 17 8.196 -10.725 -2.005 1.00 0.00 N ATOM 242 CA GLN A 17 7.414 -11.898 -1.739 1.00 0.00 C ATOM 243 C GLN A 17 6.705 -12.332 -3.006 1.00 0.00 C ATOM 244 O GLN A 17 6.221 -11.493 -3.765 1.00 0.00 O ATOM 245 CB GLN A 17 6.411 -11.575 -0.650 1.00 0.00 C ATOM 246 CG GLN A 17 7.075 -11.300 0.681 1.00 0.00 C ATOM 247 CD GLN A 17 6.099 -10.923 1.776 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.315 -11.244 2.944 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.048 -10.202 1.423 1.00 0.00 N ATOM 0 H GLN A 17 7.721 -9.848 -1.790 1.00 0.00 H new ATOM 0 HA GLN A 17 8.055 -12.714 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.824 -10.706 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.716 -12.407 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.632 -12.185 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.799 -10.495 0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.904 -9.956 0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.382 -9.892 2.130 1.00 0.00 H new ATOM 258 N ASP A 18 6.644 -13.633 -3.236 1.00 0.00 N ATOM 259 CA ASP A 18 6.019 -14.166 -4.441 1.00 0.00 C ATOM 260 C ASP A 18 4.494 -14.171 -4.282 1.00 0.00 C ATOM 261 O ASP A 18 3.825 -15.171 -4.541 1.00 0.00 O ATOM 262 CB ASP A 18 6.540 -15.580 -4.730 1.00 0.00 C ATOM 263 CG ASP A 18 6.206 -16.060 -6.132 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.956 -15.725 -7.074 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.206 -16.791 -6.300 1.00 0.00 O ATOM 0 H ASP A 18 7.019 -14.342 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 18 6.277 -13.528 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.621 -15.598 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.116 -16.273 -4.004 1.00 0.00 H new ATOM 270 N LYS A 19 3.955 -13.049 -3.819 1.00 0.00 N ATOM 271 CA LYS A 19 2.515 -12.887 -3.677 1.00 0.00 C ATOM 272 C LYS A 19 2.134 -11.412 -3.754 1.00 0.00 C ATOM 273 O LYS A 19 3.002 -10.551 -3.903 1.00 0.00 O ATOM 274 CB LYS A 19 2.036 -13.509 -2.364 1.00 0.00 C ATOM 275 CG LYS A 19 2.727 -12.962 -1.126 1.00 0.00 C ATOM 276 CD LYS A 19 2.451 -13.813 0.111 1.00 0.00 C ATOM 277 CE LYS A 19 0.991 -13.758 0.558 1.00 0.00 C ATOM 278 NZ LYS A 19 0.085 -14.570 -0.298 1.00 0.00 N ATOM 0 H LYS A 19 4.498 -12.234 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 19 2.022 -13.407 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.962 -13.347 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.193 -14.587 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.802 -12.917 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.391 -11.941 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.723 -14.848 -0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.089 -13.475 0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.919 -14.109 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.654 -12.721 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.800 -14.759 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.126 -14.048 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.547 -15.471 -0.535 1.00 0.00 H new ATOM 292 N LEU A 20 0.839 -11.126 -3.659 1.00 0.00 N ATOM 293 CA LEU A 20 0.342 -9.763 -3.810 1.00 0.00 C ATOM 294 C LEU A 20 0.630 -8.941 -2.560 1.00 0.00 C ATOM 295 O LEU A 20 0.234 -9.308 -1.452 1.00 0.00 O ATOM 296 CB LEU A 20 -1.166 -9.775 -4.109 1.00 0.00 C ATOM 297 CG LEU A 20 -1.742 -8.502 -4.755 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.733 -7.326 -3.796 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.965 -8.156 -6.011 1.00 0.00 C ATOM 0 H LEU A 20 0.114 -11.821 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 20 0.861 -9.300 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.378 -10.618 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.699 -9.956 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.780 -8.707 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.148 -6.449 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.336 -7.566 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.709 -7.117 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.381 -7.254 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.081 -7.985 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.036 -8.980 -6.721 1.00 0.00 H new ATOM 311 N VAL A 21 1.319 -7.829 -2.755 1.00 0.00 N ATOM 312 CA VAL A 21 1.625 -6.913 -1.673 1.00 0.00 C ATOM 313 C VAL A 21 0.747 -5.672 -1.770 1.00 0.00 C ATOM 314 O VAL A 21 0.831 -4.924 -2.746 1.00 0.00 O ATOM 315 CB VAL A 21 3.098 -6.461 -1.713 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.595 -6.130 -0.316 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.975 -7.507 -2.385 1.00 0.00 C ATOM 0 H VAL A 21 1.680 -7.538 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 21 1.437 -7.445 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 21 3.160 -5.553 -2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.637 -5.813 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.991 -5.326 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.514 -7.013 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.008 -7.161 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.913 -8.444 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.632 -7.667 -3.407 1.00 0.00 H new ATOM 327 N VAL A 22 -0.103 -5.466 -0.776 1.00 0.00 N ATOM 328 CA VAL A 22 -0.908 -4.258 -0.706 1.00 0.00 C ATOM 329 C VAL A 22 -0.229 -3.258 0.209 1.00 0.00 C ATOM 330 O VAL A 22 -0.266 -3.400 1.435 1.00 0.00 O ATOM 331 CB VAL A 22 -2.327 -4.537 -0.167 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.190 -3.284 -0.238 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.975 -5.677 -0.927 1.00 0.00 C ATOM 0 H VAL A 22 -0.253 -6.120 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.000 -3.864 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.240 -4.830 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.185 -3.505 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.736 -2.495 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.267 -2.954 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.974 -5.857 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.045 -5.417 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.372 -6.578 -0.814 1.00 0.00 H new ATOM 343 N VAL A 23 0.410 -2.262 -0.377 1.00 0.00 N ATOM 344 CA VAL A 23 1.112 -1.276 0.414 1.00 0.00 C ATOM 345 C VAL A 23 0.323 0.018 0.512 1.00 0.00 C ATOM 346 O VAL A 23 -0.076 0.612 -0.492 1.00 0.00 O ATOM 347 CB VAL A 23 2.521 -0.990 -0.124 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.246 -0.043 0.808 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.305 -2.277 -0.278 1.00 0.00 C ATOM 0 H VAL A 23 0.456 -2.117 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 23 1.216 -1.703 1.412 1.00 0.00 H new ATOM 0 HB VAL A 23 2.432 -0.524 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.245 0.155 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.692 0.893 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.324 -0.494 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.301 -2.053 -0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.391 -2.769 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.788 -2.936 -0.975 1.00 0.00 H new ATOM 359 N ALA A 24 0.114 0.432 1.742 1.00 0.00 N ATOM 360 CA ALA A 24 -0.673 1.607 2.063 1.00 0.00 C ATOM 361 C ALA A 24 0.228 2.765 2.473 1.00 0.00 C ATOM 362 O ALA A 24 0.652 2.843 3.626 1.00 0.00 O ATOM 363 CB ALA A 24 -1.598 1.275 3.220 1.00 0.00 C ATOM 0 H ALA A 24 0.491 -0.044 2.562 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.244 1.899 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.196 2.151 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.258 0.455 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.006 0.979 4.086 1.00 0.00 H new ATOM 369 N PHE A 25 0.530 3.657 1.551 1.00 0.00 N ATOM 370 CA PHE A 25 1.348 4.811 1.885 1.00 0.00 C ATOM 371 C PHE A 25 0.522 6.077 2.000 1.00 0.00 C ATOM 372 O PHE A 25 -0.080 6.542 1.037 1.00 0.00 O ATOM 373 CB PHE A 25 2.476 4.986 0.880 1.00 0.00 C ATOM 374 CG PHE A 25 3.755 4.392 1.379 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.786 3.087 1.829 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.917 5.138 1.416 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.951 2.530 2.307 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.087 4.587 1.891 1.00 0.00 C ATOM 379 CZ PHE A 25 6.103 3.280 2.337 1.00 0.00 C ATOM 0 H PHE A 25 0.228 3.609 0.578 1.00 0.00 H new ATOM 0 HA PHE A 25 1.788 4.623 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.200 4.516 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.622 6.047 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.883 2.495 1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.908 6.161 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.960 1.508 2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.991 5.177 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.020 2.847 2.709 1.00 0.00 H new ATOM 389 N TYR A 26 0.508 6.634 3.193 1.00 0.00 N ATOM 390 CA TYR A 26 -0.261 7.829 3.473 1.00 0.00 C ATOM 391 C TYR A 26 0.569 8.806 4.287 1.00 0.00 C ATOM 392 O TYR A 26 1.678 8.494 4.698 1.00 0.00 O ATOM 393 CB TYR A 26 -1.546 7.467 4.225 1.00 0.00 C ATOM 394 CG TYR A 26 -1.328 6.539 5.403 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.904 7.021 6.635 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.546 5.174 5.278 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.704 6.169 7.705 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.350 4.315 6.338 1.00 0.00 C ATOM 399 CZ TYR A 26 -0.928 4.816 7.552 1.00 0.00 C ATOM 400 OH TYR A 26 -0.725 3.962 8.612 1.00 0.00 O ATOM 0 H TYR A 26 1.027 6.273 3.993 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.532 8.302 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.018 8.383 4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.242 6.998 3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.728 8.079 6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.876 4.776 4.330 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.374 6.560 8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.526 3.256 6.219 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.416 4.113 9.291 1.00 0.00 H new ATOM 410 N ALA A 27 0.034 9.989 4.506 1.00 0.00 N ATOM 411 CA ALA A 27 0.695 10.977 5.333 1.00 0.00 C ATOM 412 C ALA A 27 -0.248 11.425 6.430 1.00 0.00 C ATOM 413 O ALA A 27 -1.397 11.765 6.158 1.00 0.00 O ATOM 414 CB ALA A 27 1.133 12.161 4.494 1.00 0.00 C ATOM 0 H ALA A 27 -0.861 10.291 4.121 1.00 0.00 H new ATOM 0 HA ALA A 27 1.583 10.533 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.628 12.895 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.825 11.824 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.261 12.617 4.025 1.00 0.00 H new ATOM 420 N THR A 28 0.239 11.425 7.663 1.00 0.00 N ATOM 421 CA THR A 28 -0.590 11.748 8.818 1.00 0.00 C ATOM 422 C THR A 28 -1.110 13.184 8.769 1.00 0.00 C ATOM 423 O THR A 28 -2.093 13.520 9.431 1.00 0.00 O ATOM 424 CB THR A 28 0.195 11.527 10.121 1.00 0.00 C ATOM 425 OG1 THR A 28 1.515 12.060 9.977 1.00 0.00 O ATOM 426 CG2 THR A 28 0.273 10.047 10.462 1.00 0.00 C ATOM 0 H THR A 28 1.208 11.204 7.891 1.00 0.00 H new ATOM 0 HA THR A 28 -1.450 11.079 8.791 1.00 0.00 H new ATOM 0 HB THR A 28 -0.324 12.039 10.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.016 11.921 10.808 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.833 9.916 11.388 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.734 9.649 10.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.776 9.514 9.655 1.00 0.00 H new ATOM 434 N TRP A 29 -0.459 14.024 7.975 1.00 0.00 N ATOM 435 CA TRP A 29 -0.864 15.416 7.843 1.00 0.00 C ATOM 436 C TRP A 29 -1.824 15.609 6.667 1.00 0.00 C ATOM 437 O TRP A 29 -2.462 16.656 6.543 1.00 0.00 O ATOM 438 CB TRP A 29 0.367 16.318 7.686 1.00 0.00 C ATOM 439 CG TRP A 29 1.229 15.992 6.499 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.387 15.264 6.496 1.00 0.00 C ATOM 441 CD2 TRP A 29 1.008 16.397 5.143 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.892 15.190 5.220 1.00 0.00 N ATOM 443 CE2 TRP A 29 2.064 15.879 4.372 1.00 0.00 C ATOM 444 CE3 TRP A 29 0.016 17.147 4.508 1.00 0.00 C ATOM 445 CZ2 TRP A 29 2.153 16.088 2.997 1.00 0.00 C ATOM 446 CZ3 TRP A 29 0.103 17.353 3.148 1.00 0.00 C ATOM 447 CH2 TRP A 29 1.164 16.825 2.403 1.00 0.00 C ATOM 0 H TRP A 29 0.352 13.765 7.413 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.393 15.699 8.753 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.036 17.353 7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.972 16.246 8.590 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.838 14.814 7.368 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.745 14.701 4.948 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.807 17.559 5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.972 15.683 2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.660 17.931 2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.203 17.003 1.338 1.00 0.00 H new ATOM 458 N CYS A 30 -1.928 14.598 5.810 1.00 0.00 N ATOM 459 CA CYS A 30 -2.769 14.684 4.620 1.00 0.00 C ATOM 460 C CYS A 30 -4.245 14.549 4.974 1.00 0.00 C ATOM 461 O CYS A 30 -4.588 14.037 6.043 1.00 0.00 O ATOM 462 CB CYS A 30 -2.380 13.613 3.600 1.00 0.00 C ATOM 463 SG CYS A 30 -0.837 13.950 2.727 1.00 0.00 S ATOM 0 H CYS A 30 -1.440 13.709 5.917 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.609 15.668 4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.293 12.654 4.111 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.183 13.513 2.870 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.482 15.184 2.933 1.00 0.00 H new ATOM 469 N GLY A 31 -5.108 15.013 4.080 1.00 0.00 N ATOM 470 CA GLY A 31 -6.537 14.991 4.335 1.00 0.00 C ATOM 471 C GLY A 31 -7.101 13.588 4.460 1.00 0.00 C ATOM 472 O GLY A 31 -7.251 13.075 5.573 1.00 0.00 O ATOM 0 H GLY A 31 -4.843 15.407 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.744 15.542 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.052 15.512 3.527 1.00 0.00 H new ATOM 476 N PRO A 32 -7.413 12.930 3.331 1.00 0.00 N ATOM 477 CA PRO A 32 -8.056 11.612 3.324 1.00 0.00 C ATOM 478 C PRO A 32 -7.094 10.453 3.589 1.00 0.00 C ATOM 479 O PRO A 32 -7.249 9.373 3.027 1.00 0.00 O ATOM 480 CB PRO A 32 -8.620 11.518 1.910 1.00 0.00 C ATOM 481 CG PRO A 32 -7.687 12.325 1.077 1.00 0.00 C ATOM 482 CD PRO A 32 -7.180 13.434 1.963 1.00 0.00 C ATOM 0 HA PRO A 32 -8.797 11.528 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.662 10.484 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.635 11.911 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.863 11.712 0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.197 12.729 0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.124 13.635 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.717 14.366 1.784 1.00 0.00 H new ATOM 490 N CYS A 33 -6.112 10.667 4.452 1.00 0.00 N ATOM 491 CA CYS A 33 -5.190 9.601 4.830 1.00 0.00 C ATOM 492 C CYS A 33 -5.943 8.509 5.583 1.00 0.00 C ATOM 493 O CYS A 33 -5.703 7.304 5.409 1.00 0.00 O ATOM 494 CB CYS A 33 -4.063 10.168 5.694 1.00 0.00 C ATOM 495 SG CYS A 33 -4.639 11.170 7.086 1.00 0.00 S ATOM 0 H CYS A 33 -5.932 11.564 4.903 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.753 9.167 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.462 9.343 6.077 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.409 10.775 5.068 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.653 12.424 6.742 1.00 0.00 H new ATOM 501 N LYS A 34 -6.898 8.947 6.388 1.00 0.00 N ATOM 502 CA LYS A 34 -7.723 8.038 7.153 1.00 0.00 C ATOM 503 C LYS A 34 -8.630 7.234 6.230 1.00 0.00 C ATOM 504 O LYS A 34 -9.217 6.258 6.657 1.00 0.00 O ATOM 505 CB LYS A 34 -8.552 8.806 8.187 1.00 0.00 C ATOM 506 CG LYS A 34 -9.396 7.918 9.093 1.00 0.00 C ATOM 507 CD LYS A 34 -10.195 8.715 10.122 1.00 0.00 C ATOM 508 CE LYS A 34 -11.361 9.483 9.505 1.00 0.00 C ATOM 509 NZ LYS A 34 -10.933 10.736 8.825 1.00 0.00 N ATOM 0 H LYS A 34 -7.118 9.933 6.526 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.070 7.344 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.880 9.402 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.208 9.503 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.082 7.331 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.746 7.213 9.611 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.577 8.035 10.883 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.530 9.417 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.872 8.842 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.082 9.727 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.544 11.521 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.946 10.948 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.009 10.615 7.795 1.00 0.00 H new ATOM 523 N MET A 35 -8.718 7.616 4.954 1.00 0.00 N ATOM 524 CA MET A 35 -9.540 6.863 4.016 1.00 0.00 C ATOM 525 C MET A 35 -8.844 5.542 3.736 1.00 0.00 C ATOM 526 O MET A 35 -9.474 4.491 3.619 1.00 0.00 O ATOM 527 CB MET A 35 -9.745 7.634 2.710 1.00 0.00 C ATOM 528 CG MET A 35 -11.123 7.446 2.078 1.00 0.00 C ATOM 529 SD MET A 35 -11.587 5.713 1.864 1.00 0.00 S ATOM 530 CE MET A 35 -12.966 5.865 0.732 1.00 0.00 C ATOM 0 H MET A 35 -8.240 8.425 4.557 1.00 0.00 H new ATOM 0 HA MET A 35 -10.525 6.696 4.453 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.587 8.696 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.984 7.322 1.994 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.870 7.940 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.139 7.941 1.107 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.623 5.002 0.841 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.522 6.775 0.956 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.593 5.911 -0.291 1.00 0.00 H new ATOM 540 N ILE A 36 -7.521 5.601 3.685 1.00 0.00 N ATOM 541 CA ILE A 36 -6.719 4.418 3.452 1.00 0.00 C ATOM 542 C ILE A 36 -6.687 3.563 4.699 1.00 0.00 C ATOM 543 O ILE A 36 -6.521 2.345 4.623 1.00 0.00 O ATOM 544 CB ILE A 36 -5.286 4.796 2.992 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.211 4.772 1.469 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.228 3.882 3.590 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.288 5.595 0.814 1.00 0.00 C ATOM 0 H ILE A 36 -6.983 6.460 3.803 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.175 3.840 2.648 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.077 5.803 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.236 5.142 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.288 3.741 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.243 4.187 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.262 3.949 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.420 2.854 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.181 5.538 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.266 5.211 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.197 6.633 1.133 1.00 0.00 H new ATOM 559 N ALA A 37 -6.901 4.203 5.842 1.00 0.00 N ATOM 560 CA ALA A 37 -6.970 3.481 7.100 1.00 0.00 C ATOM 561 C ALA A 37 -7.977 2.310 7.036 1.00 0.00 C ATOM 562 O ALA A 37 -7.547 1.157 7.064 1.00 0.00 O ATOM 563 CB ALA A 37 -7.263 4.429 8.262 1.00 0.00 C ATOM 0 H ALA A 37 -7.028 5.212 5.921 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.991 3.038 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.309 3.862 9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.472 5.175 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.218 4.927 8.093 1.00 0.00 H new ATOM 569 N PRO A 38 -9.312 2.529 6.918 1.00 0.00 N ATOM 570 CA PRO A 38 -10.262 1.429 6.951 1.00 0.00 C ATOM 571 C PRO A 38 -10.474 0.765 5.597 1.00 0.00 C ATOM 572 O PRO A 38 -10.873 -0.390 5.547 1.00 0.00 O ATOM 573 CB PRO A 38 -11.566 2.076 7.437 1.00 0.00 C ATOM 574 CG PRO A 38 -11.299 3.545 7.485 1.00 0.00 C ATOM 575 CD PRO A 38 -10.028 3.774 6.721 1.00 0.00 C ATOM 0 HA PRO A 38 -9.900 0.627 7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.390 1.850 6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.848 1.698 8.420 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.124 4.103 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.199 3.887 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.219 3.969 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.471 4.628 7.107 1.00 0.00 H new ATOM 583 N MET A 39 -10.215 1.475 4.496 1.00 0.00 N ATOM 584 CA MET A 39 -10.476 0.914 3.183 1.00 0.00 C ATOM 585 C MET A 39 -9.457 -0.172 2.877 1.00 0.00 C ATOM 586 O MET A 39 -9.799 -1.257 2.413 1.00 0.00 O ATOM 587 CB MET A 39 -10.417 2.012 2.121 1.00 0.00 C ATOM 588 CG MET A 39 -10.378 1.472 0.712 1.00 0.00 C ATOM 589 SD MET A 39 -9.358 2.470 -0.378 1.00 0.00 S ATOM 590 CE MET A 39 -7.800 2.464 0.511 1.00 0.00 C ATOM 0 H MET A 39 -9.832 2.420 4.493 1.00 0.00 H new ATOM 0 HA MET A 39 -11.474 0.476 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.285 2.662 2.231 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.534 2.628 2.292 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.996 0.451 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.392 1.427 0.315 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.035 2.954 -0.092 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.917 2.999 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.500 1.436 0.713 1.00 0.00 H new ATOM 600 N ILE A 40 -8.206 0.123 3.173 1.00 0.00 N ATOM 601 CA ILE A 40 -7.122 -0.814 2.955 1.00 0.00 C ATOM 602 C ILE A 40 -7.174 -1.927 3.987 1.00 0.00 C ATOM 603 O ILE A 40 -6.903 -3.091 3.682 1.00 0.00 O ATOM 604 CB ILE A 40 -5.776 -0.067 2.993 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.142 -0.077 1.611 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.814 -0.649 4.025 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.170 1.051 1.399 1.00 0.00 C ATOM 0 H ILE A 40 -7.913 1.016 3.570 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.228 -1.273 1.972 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.980 0.960 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.627 -1.026 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.927 -0.018 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.881 -0.086 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.262 -0.584 5.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.612 -1.693 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.753 0.988 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.686 2.003 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.366 0.981 2.131 1.00 0.00 H new ATOM 619 N GLU A 41 -7.546 -1.560 5.204 1.00 0.00 N ATOM 620 CA GLU A 41 -7.754 -2.535 6.260 1.00 0.00 C ATOM 621 C GLU A 41 -8.903 -3.470 5.874 1.00 0.00 C ATOM 622 O GLU A 41 -8.925 -4.645 6.246 1.00 0.00 O ATOM 623 CB GLU A 41 -8.065 -1.798 7.564 1.00 0.00 C ATOM 624 CG GLU A 41 -7.542 -2.473 8.823 1.00 0.00 C ATOM 625 CD GLU A 41 -6.098 -2.108 9.133 1.00 0.00 C ATOM 626 OE1 GLU A 41 -5.605 -1.077 8.625 1.00 0.00 O ATOM 627 OE2 GLU A 41 -5.454 -2.831 9.919 1.00 0.00 O ATOM 0 H GLU A 41 -7.710 -0.593 5.483 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.856 -3.136 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.644 -0.794 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.146 -1.686 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.172 -2.193 9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.622 -3.554 8.710 1.00 0.00 H new ATOM 634 N LYS A 42 -9.841 -2.932 5.095 1.00 0.00 N ATOM 635 CA LYS A 42 -11.010 -3.670 4.633 1.00 0.00 C ATOM 636 C LYS A 42 -10.644 -4.666 3.531 1.00 0.00 C ATOM 637 O LYS A 42 -11.245 -5.738 3.437 1.00 0.00 O ATOM 638 CB LYS A 42 -12.080 -2.688 4.131 1.00 0.00 C ATOM 639 CG LYS A 42 -13.342 -3.345 3.596 1.00 0.00 C ATOM 640 CD LYS A 42 -14.070 -4.123 4.679 1.00 0.00 C ATOM 641 CE LYS A 42 -15.369 -4.717 4.163 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.337 -3.665 3.753 1.00 0.00 N ATOM 0 H LYS A 42 -9.809 -1.967 4.767 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.407 -4.239 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.353 -2.020 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.647 -2.070 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.005 -2.582 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.084 -4.016 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.426 -4.921 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.280 -3.465 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.159 -5.367 3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.816 -5.340 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.280 -4.088 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.378 -2.927 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.031 -3.243 2.853 1.00 0.00 H new ATOM 656 N PHE A 43 -9.670 -4.314 2.693 1.00 0.00 N ATOM 657 CA PHE A 43 -9.225 -5.216 1.628 1.00 0.00 C ATOM 658 C PHE A 43 -8.769 -6.548 2.220 1.00 0.00 C ATOM 659 O PHE A 43 -9.330 -7.596 1.903 1.00 0.00 O ATOM 660 CB PHE A 43 -8.096 -4.595 0.788 1.00 0.00 C ATOM 661 CG PHE A 43 -8.467 -3.289 0.154 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.759 -3.058 -0.282 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.519 -2.297 -0.018 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.098 -1.862 -0.876 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.852 -1.100 -0.615 1.00 0.00 C ATOM 666 CZ PHE A 43 -9.144 -0.884 -1.045 1.00 0.00 C ATOM 0 H PHE A 43 -9.178 -3.421 2.728 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.074 -5.388 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.223 -4.446 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.806 -5.299 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.510 -3.823 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.506 -2.462 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.111 -1.692 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.103 -0.333 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.408 0.052 -1.514 1.00 0.00 H new ATOM 676 N SER A 44 -7.791 -6.509 3.123 1.00 0.00 N ATOM 677 CA SER A 44 -7.246 -7.734 3.692 1.00 0.00 C ATOM 678 C SER A 44 -8.193 -8.312 4.746 1.00 0.00 C ATOM 679 O SER A 44 -8.038 -9.452 5.177 1.00 0.00 O ATOM 680 CB SER A 44 -5.870 -7.473 4.283 1.00 0.00 C ATOM 681 OG SER A 44 -5.906 -6.409 5.220 1.00 0.00 O ATOM 0 H SER A 44 -7.365 -5.650 3.472 1.00 0.00 H new ATOM 0 HA SER A 44 -7.144 -8.471 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.503 -8.377 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.168 -7.234 3.484 1.00 0.00 H new ATOM 0 HG SER A 44 -5.008 -6.264 5.585 1.00 0.00 H new ATOM 687 N GLU A 45 -9.158 -7.509 5.182 1.00 0.00 N ATOM 688 CA GLU A 45 -10.233 -8.010 6.029 1.00 0.00 C ATOM 689 C GLU A 45 -11.042 -9.046 5.255 1.00 0.00 C ATOM 690 O GLU A 45 -11.518 -10.037 5.813 1.00 0.00 O ATOM 691 CB GLU A 45 -11.146 -6.867 6.470 1.00 0.00 C ATOM 692 CG GLU A 45 -12.249 -7.297 7.421 1.00 0.00 C ATOM 693 CD GLU A 45 -13.288 -6.218 7.622 1.00 0.00 C ATOM 694 OE1 GLU A 45 -13.006 -5.243 8.348 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.390 -6.343 7.050 1.00 0.00 O ATOM 0 H GLU A 45 -9.217 -6.514 4.964 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.799 -8.468 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.543 -6.098 6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.596 -6.413 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.731 -8.194 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.812 -7.561 8.384 1.00 0.00 H new ATOM 702 N GLN A 46 -11.175 -8.808 3.955 1.00 0.00 N ATOM 703 CA GLN A 46 -11.884 -9.713 3.079 1.00 0.00 C ATOM 704 C GLN A 46 -10.947 -10.820 2.623 1.00 0.00 C ATOM 705 O GLN A 46 -11.309 -11.997 2.626 1.00 0.00 O ATOM 706 CB GLN A 46 -12.443 -8.954 1.873 1.00 0.00 C ATOM 707 CG GLN A 46 -13.493 -7.919 2.245 1.00 0.00 C ATOM 708 CD GLN A 46 -13.919 -7.065 1.069 1.00 0.00 C ATOM 709 OE1 GLN A 46 -14.844 -7.414 0.333 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.254 -5.934 0.890 1.00 0.00 N ATOM 0 H GLN A 46 -10.794 -7.985 3.488 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.719 -10.156 3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.623 -8.458 1.353 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.879 -9.668 1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.366 -8.426 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.099 -7.275 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.495 -5.683 1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.501 -5.314 0.119 1.00 0.00 H new ATOM 719 N TYR A 47 -9.736 -10.436 2.245 1.00 0.00 N ATOM 720 CA TYR A 47 -8.737 -11.394 1.810 1.00 0.00 C ATOM 721 C TYR A 47 -7.400 -11.197 2.530 1.00 0.00 C ATOM 722 O TYR A 47 -6.524 -10.470 2.073 1.00 0.00 O ATOM 723 CB TYR A 47 -8.569 -11.324 0.291 1.00 0.00 C ATOM 724 CG TYR A 47 -8.561 -9.931 -0.296 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.503 -9.055 -0.088 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.623 -9.500 -1.074 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.509 -7.791 -0.639 1.00 0.00 C ATOM 728 CE2 TYR A 47 -9.636 -8.240 -1.627 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.578 -7.390 -1.409 1.00 0.00 C ATOM 730 OH TYR A 47 -8.596 -6.130 -1.950 1.00 0.00 O ATOM 0 H TYR A 47 -9.424 -9.465 2.232 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.089 -12.391 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.636 -11.819 0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.376 -11.891 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.663 -9.369 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.456 -10.165 -1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.681 -7.120 -0.468 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.473 -7.920 -2.229 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.224 -5.568 -1.449 1.00 0.00 H new ATOM 740 N PRO A 48 -7.216 -11.861 3.676 1.00 0.00 N ATOM 741 CA PRO A 48 -5.989 -11.738 4.459 1.00 0.00 C ATOM 742 C PRO A 48 -4.862 -12.598 3.900 1.00 0.00 C ATOM 743 O PRO A 48 -3.753 -12.614 4.436 1.00 0.00 O ATOM 744 CB PRO A 48 -6.415 -12.219 5.838 1.00 0.00 C ATOM 745 CG PRO A 48 -7.472 -13.234 5.565 1.00 0.00 C ATOM 746 CD PRO A 48 -8.181 -12.780 4.311 1.00 0.00 C ATOM 0 HA PRO A 48 -5.589 -10.724 4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.578 -12.654 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.799 -11.398 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.035 -14.223 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.168 -13.305 6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.421 -13.621 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.120 -12.277 4.542 1.00 0.00 H new ATOM 754 N GLN A 49 -5.158 -13.321 2.825 1.00 0.00 N ATOM 755 CA GLN A 49 -4.162 -14.155 2.165 1.00 0.00 C ATOM 756 C GLN A 49 -3.274 -13.297 1.266 1.00 0.00 C ATOM 757 O GLN A 49 -2.307 -13.781 0.679 1.00 0.00 O ATOM 758 CB GLN A 49 -4.831 -15.283 1.380 1.00 0.00 C ATOM 759 CG GLN A 49 -5.019 -14.961 -0.075 1.00 0.00 C ATOM 760 CD GLN A 49 -6.131 -13.966 -0.316 1.00 0.00 C ATOM 761 OE1 GLN A 49 -7.108 -13.919 0.432 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.985 -13.161 -1.352 1.00 0.00 N ATOM 0 H GLN A 49 -6.081 -13.346 2.392 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.531 -14.618 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.228 -16.187 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.802 -15.501 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.088 -14.563 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.235 -15.880 -0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.158 -13.237 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.699 -12.463 -1.560 1.00 0.00 H new ATOM 771 N ALA A 50 -3.602 -12.012 1.186 1.00 0.00 N ATOM 772 CA ALA A 50 -2.749 -11.046 0.510 1.00 0.00 C ATOM 773 C ALA A 50 -1.948 -10.322 1.570 1.00 0.00 C ATOM 774 O ALA A 50 -2.296 -10.384 2.748 1.00 0.00 O ATOM 775 CB ALA A 50 -3.586 -10.055 -0.280 1.00 0.00 C ATOM 0 H ALA A 50 -4.455 -11.616 1.582 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.088 -11.554 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.930 -9.341 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.175 -10.589 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.255 -9.523 0.397 1.00 0.00 H new ATOM 781 N ASP A 51 -0.878 -9.652 1.191 1.00 0.00 N ATOM 782 CA ASP A 51 -0.060 -8.996 2.190 1.00 0.00 C ATOM 783 C ASP A 51 -0.505 -7.576 2.412 1.00 0.00 C ATOM 784 O ASP A 51 -0.844 -6.857 1.476 1.00 0.00 O ATOM 785 CB ASP A 51 1.426 -9.038 1.851 1.00 0.00 C ATOM 786 CG ASP A 51 2.101 -10.256 2.439 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.670 -11.381 2.139 1.00 0.00 O ATOM 788 OD2 ASP A 51 3.051 -10.090 3.229 1.00 0.00 O ATOM 0 H ASP A 51 -0.561 -9.549 0.227 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.198 -9.556 3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.552 -9.040 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.910 -8.137 2.227 1.00 0.00 H new ATOM 793 N PHE A 52 -0.494 -7.188 3.669 1.00 0.00 N ATOM 794 CA PHE A 52 -1.017 -5.909 4.088 1.00 0.00 C ATOM 795 C PHE A 52 0.051 -5.108 4.815 1.00 0.00 C ATOM 796 O PHE A 52 0.498 -5.484 5.899 1.00 0.00 O ATOM 797 CB PHE A 52 -2.229 -6.140 4.998 1.00 0.00 C ATOM 798 CG PHE A 52 -2.131 -7.399 5.826 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.372 -7.434 6.985 1.00 0.00 C ATOM 800 CD2 PHE A 52 -2.791 -8.553 5.432 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.273 -8.589 7.734 1.00 0.00 C ATOM 802 CE2 PHE A 52 -2.695 -9.712 6.176 1.00 0.00 C ATOM 803 CZ PHE A 52 -1.934 -9.730 7.329 1.00 0.00 C ATOM 0 H PHE A 52 -0.120 -7.754 4.431 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.324 -5.338 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.341 -5.285 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.129 -6.187 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.850 -6.545 7.307 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.388 -8.545 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.679 -8.599 8.636 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.214 -10.604 5.857 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.857 -10.636 7.912 1.00 0.00 H new ATOM 813 N TYR A 53 0.456 -3.997 4.228 1.00 0.00 N ATOM 814 CA TYR A 53 1.471 -3.155 4.835 1.00 0.00 C ATOM 815 C TYR A 53 1.142 -1.690 4.636 1.00 0.00 C ATOM 816 O TYR A 53 0.533 -1.315 3.642 1.00 0.00 O ATOM 817 CB TYR A 53 2.849 -3.479 4.262 1.00 0.00 C ATOM 818 CG TYR A 53 3.299 -4.901 4.521 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.843 -5.263 5.746 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.182 -5.878 3.541 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.255 -6.557 5.988 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.593 -7.175 3.776 1.00 0.00 C ATOM 823 CZ TYR A 53 4.130 -7.509 5.002 1.00 0.00 C ATOM 824 OH TYR A 53 4.536 -8.801 5.245 1.00 0.00 O ATOM 0 H TYR A 53 0.099 -3.657 3.335 1.00 0.00 H new ATOM 0 HA TYR A 53 1.487 -3.358 5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.836 -3.302 3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.580 -2.793 4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.945 -4.519 6.522 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.763 -5.619 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.674 -6.822 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.495 -7.924 3.004 1.00 0.00 H new ATOM 0 HH TYR A 53 4.098 -9.406 4.610 1.00 0.00 H new ATOM 834 N LYS A 54 1.536 -0.871 5.597 1.00 0.00 N ATOM 835 CA LYS A 54 1.157 0.528 5.617 1.00 0.00 C ATOM 836 C LYS A 54 2.258 1.366 6.263 1.00 0.00 C ATOM 837 O LYS A 54 3.031 0.857 7.077 1.00 0.00 O ATOM 838 CB LYS A 54 -0.159 0.664 6.389 1.00 0.00 C ATOM 839 CG LYS A 54 -0.018 0.451 7.889 1.00 0.00 C ATOM 840 CD LYS A 54 -1.347 0.124 8.555 1.00 0.00 C ATOM 841 CE LYS A 54 -2.399 1.196 8.323 1.00 0.00 C ATOM 842 NZ LYS A 54 -3.647 0.909 9.080 1.00 0.00 N ATOM 0 H LYS A 54 2.124 -1.157 6.380 1.00 0.00 H new ATOM 0 HA LYS A 54 1.020 0.893 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.573 1.656 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.876 -0.056 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.687 -0.359 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.402 1.349 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.715 -0.829 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.191 -0.000 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.004 2.166 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.625 1.261 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.270 1.742 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.135 0.097 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.410 0.687 10.068 1.00 0.00 H new ATOM 856 N LEU A 55 2.350 2.635 5.879 1.00 0.00 N ATOM 857 CA LEU A 55 3.358 3.528 6.426 1.00 0.00 C ATOM 858 C LEU A 55 2.962 4.986 6.194 1.00 0.00 C ATOM 859 O LEU A 55 2.289 5.303 5.209 1.00 0.00 O ATOM 860 CB LEU A 55 4.715 3.203 5.782 1.00 0.00 C ATOM 861 CG LEU A 55 5.868 4.158 6.095 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.196 3.421 6.030 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.872 5.309 5.106 1.00 0.00 C ATOM 0 H LEU A 55 1.735 3.067 5.189 1.00 0.00 H new ATOM 0 HA LEU A 55 3.437 3.382 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.009 2.201 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.581 3.174 4.701 1.00 0.00 H new ATOM 0 HG LEU A 55 5.731 4.551 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.008 4.113 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.198 2.610 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.336 3.011 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.696 5.984 5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.994 4.920 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.929 5.851 5.175 1.00 0.00 H new ATOM 875 N ASP A 56 3.364 5.870 7.106 1.00 0.00 N ATOM 876 CA ASP A 56 3.155 7.291 6.924 1.00 0.00 C ATOM 877 C ASP A 56 4.428 7.967 6.430 1.00 0.00 C ATOM 878 O ASP A 56 5.510 7.790 6.992 1.00 0.00 O ATOM 879 CB ASP A 56 2.687 7.955 8.214 1.00 0.00 C ATOM 880 CG ASP A 56 3.695 7.893 9.338 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.858 6.812 9.948 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.311 8.939 9.626 1.00 0.00 O ATOM 0 H ASP A 56 3.835 5.620 7.975 1.00 0.00 H new ATOM 0 HA ASP A 56 2.374 7.410 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.451 8.999 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.763 7.478 8.542 1.00 0.00 H new ATOM 887 N VAL A 57 4.285 8.746 5.370 1.00 0.00 N ATOM 888 CA VAL A 57 5.411 9.426 4.748 1.00 0.00 C ATOM 889 C VAL A 57 5.901 10.582 5.615 1.00 0.00 C ATOM 890 O VAL A 57 6.965 11.151 5.372 1.00 0.00 O ATOM 891 CB VAL A 57 5.017 9.960 3.359 1.00 0.00 C ATOM 892 CG1 VAL A 57 4.178 8.924 2.624 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.272 11.282 3.491 1.00 0.00 C ATOM 0 H VAL A 57 3.389 8.925 4.917 1.00 0.00 H new ATOM 0 HA VAL A 57 6.218 8.701 4.642 1.00 0.00 H new ATOM 0 HB VAL A 57 5.920 10.144 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.903 9.309 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.754 8.006 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.275 8.714 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.000 11.647 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.369 11.133 4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.913 12.013 3.984 1.00 0.00 H new ATOM 903 N ASP A 58 5.111 10.930 6.622 1.00 0.00 N ATOM 904 CA ASP A 58 5.473 11.996 7.538 1.00 0.00 C ATOM 905 C ASP A 58 6.660 11.558 8.383 1.00 0.00 C ATOM 906 O ASP A 58 7.608 12.318 8.591 1.00 0.00 O ATOM 907 CB ASP A 58 4.289 12.364 8.428 1.00 0.00 C ATOM 908 CG ASP A 58 4.630 13.462 9.411 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.860 14.609 8.971 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.661 13.185 10.627 1.00 0.00 O ATOM 0 H ASP A 58 4.214 10.487 6.823 1.00 0.00 H new ATOM 0 HA ASP A 58 5.750 12.880 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.454 12.684 7.805 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.959 11.480 8.974 1.00 0.00 H new ATOM 915 N GLU A 59 6.600 10.326 8.867 1.00 0.00 N ATOM 916 CA GLU A 59 7.738 9.721 9.545 1.00 0.00 C ATOM 917 C GLU A 59 8.764 9.205 8.537 1.00 0.00 C ATOM 918 O GLU A 59 9.966 9.367 8.738 1.00 0.00 O ATOM 919 CB GLU A 59 7.287 8.577 10.458 1.00 0.00 C ATOM 920 CG GLU A 59 6.575 9.037 11.723 1.00 0.00 C ATOM 921 CD GLU A 59 7.508 9.687 12.724 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.739 10.912 12.632 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.016 8.974 13.615 1.00 0.00 O ATOM 0 H GLU A 59 5.777 9.726 8.803 1.00 0.00 H new ATOM 0 HA GLU A 59 8.205 10.494 10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.622 7.920 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.158 7.985 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.790 9.744 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.088 8.181 12.191 1.00 0.00 H new ATOM 930 N LEU A 60 8.298 8.581 7.453 1.00 0.00 N ATOM 931 CA LEU A 60 9.222 7.984 6.480 1.00 0.00 C ATOM 932 C LEU A 60 9.036 8.541 5.063 1.00 0.00 C ATOM 933 O LEU A 60 8.455 7.893 4.179 1.00 0.00 O ATOM 934 CB LEU A 60 9.093 6.457 6.466 1.00 0.00 C ATOM 935 CG LEU A 60 9.822 5.709 7.592 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.247 6.218 7.747 1.00 0.00 C ATOM 937 CD2 LEU A 60 9.063 5.817 8.906 1.00 0.00 C ATOM 0 H LEU A 60 7.309 8.476 7.227 1.00 0.00 H new ATOM 0 HA LEU A 60 10.226 8.257 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.034 6.201 6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.468 6.089 5.511 1.00 0.00 H new ATOM 0 HG LEU A 60 9.865 4.655 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.743 5.673 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.791 6.065 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.230 7.281 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.604 5.278 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.972 6.866 9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.069 5.385 8.789 1.00 0.00 H new ATOM 949 N GLY A 61 9.587 9.726 4.841 1.00 0.00 N ATOM 950 CA GLY A 61 9.462 10.381 3.554 1.00 0.00 C ATOM 951 C GLY A 61 10.366 9.782 2.494 1.00 0.00 C ATOM 952 O GLY A 61 9.967 9.651 1.337 1.00 0.00 O ATOM 0 H GLY A 61 10.122 10.249 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.427 10.317 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.696 11.440 3.667 1.00 0.00 H new ATOM 956 N ASP A 62 11.586 9.410 2.875 1.00 0.00 N ATOM 957 CA ASP A 62 12.537 8.842 1.919 1.00 0.00 C ATOM 958 C ASP A 62 12.078 7.473 1.459 1.00 0.00 C ATOM 959 O ASP A 62 12.428 7.024 0.368 1.00 0.00 O ATOM 960 CB ASP A 62 13.950 8.759 2.503 1.00 0.00 C ATOM 961 CG ASP A 62 14.087 7.714 3.592 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.852 8.052 4.770 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.448 6.560 3.274 1.00 0.00 O ATOM 0 H ASP A 62 11.938 9.490 3.829 1.00 0.00 H new ATOM 0 HA ASP A 62 12.572 9.511 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.654 8.534 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.227 9.733 2.906 1.00 0.00 H new ATOM 968 N VAL A 63 11.281 6.820 2.285 1.00 0.00 N ATOM 969 CA VAL A 63 10.682 5.556 1.908 1.00 0.00 C ATOM 970 C VAL A 63 9.664 5.790 0.810 1.00 0.00 C ATOM 971 O VAL A 63 9.708 5.135 -0.220 1.00 0.00 O ATOM 972 CB VAL A 63 10.004 4.855 3.092 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.369 3.551 2.643 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.999 4.589 4.207 1.00 0.00 C ATOM 0 H VAL A 63 11.035 7.145 3.220 1.00 0.00 H new ATOM 0 HA VAL A 63 11.482 4.905 1.556 1.00 0.00 H new ATOM 0 HB VAL A 63 9.226 5.516 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.892 3.066 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.621 3.755 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.137 2.894 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.494 4.091 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.800 3.951 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.419 5.534 4.553 1.00 0.00 H new ATOM 984 N ALA A 64 8.768 6.752 1.022 1.00 0.00 N ATOM 985 CA ALA A 64 7.800 7.124 -0.001 1.00 0.00 C ATOM 986 C ALA A 64 8.498 7.441 -1.320 1.00 0.00 C ATOM 987 O ALA A 64 8.034 7.057 -2.394 1.00 0.00 O ATOM 988 CB ALA A 64 6.985 8.320 0.457 1.00 0.00 C ATOM 0 H ALA A 64 8.694 7.284 1.889 1.00 0.00 H new ATOM 0 HA ALA A 64 7.131 6.278 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.265 8.588 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.454 8.068 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.650 9.164 0.642 1.00 0.00 H new ATOM 994 N GLN A 65 9.638 8.105 -1.220 1.00 0.00 N ATOM 995 CA GLN A 65 10.405 8.502 -2.398 1.00 0.00 C ATOM 996 C GLN A 65 11.033 7.287 -3.071 1.00 0.00 C ATOM 997 O GLN A 65 11.247 7.267 -4.285 1.00 0.00 O ATOM 998 CB GLN A 65 11.486 9.513 -2.005 1.00 0.00 C ATOM 999 CG GLN A 65 10.927 10.821 -1.468 1.00 0.00 C ATOM 1000 CD GLN A 65 12.006 11.763 -0.969 1.00 0.00 C ATOM 1001 OE1 GLN A 65 12.293 11.708 0.321 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 12.563 12.551 -1.732 1.00 0.00 N flip ATOM 0 H GLN A 65 10.057 8.383 -0.333 1.00 0.00 H new ATOM 0 HA GLN A 65 9.726 8.970 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.133 9.066 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.109 9.723 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.355 11.315 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.234 10.607 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.315 12.564 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.273 13.191 -1.375 1.00 0.00 H new ATOM 1011 N LYS A 66 11.311 6.269 -2.273 1.00 0.00 N ATOM 1012 CA LYS A 66 11.843 5.024 -2.762 1.00 0.00 C ATOM 1013 C LYS A 66 10.802 4.296 -3.621 1.00 0.00 C ATOM 1014 O LYS A 66 11.145 3.564 -4.550 1.00 0.00 O ATOM 1015 CB LYS A 66 12.278 4.179 -1.552 1.00 0.00 C ATOM 1016 CG LYS A 66 11.917 2.714 -1.640 1.00 0.00 C ATOM 1017 CD LYS A 66 12.812 1.959 -2.603 1.00 0.00 C ATOM 1018 CE LYS A 66 12.341 0.530 -2.777 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.191 -0.219 -3.736 1.00 0.00 N ATOM 0 H LYS A 66 11.170 6.291 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 66 12.708 5.204 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.358 4.266 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.825 4.597 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.990 2.264 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.879 2.616 -1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.819 2.463 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.837 1.965 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.351 0.024 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.309 0.528 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.031 -1.240 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.947 0.060 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.192 -0.003 -3.555 1.00 0.00 H new ATOM 1033 N ASN A 67 9.529 4.541 -3.337 1.00 0.00 N ATOM 1034 CA ASN A 67 8.453 3.770 -3.931 1.00 0.00 C ATOM 1035 C ASN A 67 7.756 4.562 -5.010 1.00 0.00 C ATOM 1036 O ASN A 67 6.890 4.031 -5.705 1.00 0.00 O ATOM 1037 CB ASN A 67 7.431 3.422 -2.873 1.00 0.00 C ATOM 1038 CG ASN A 67 8.053 2.971 -1.586 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.567 3.528 -0.500 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 8.983 2.171 -1.567 1.00 0.00 N flip ATOM 0 H ASN A 67 9.219 5.271 -2.696 1.00 0.00 H new ATOM 0 HA ASN A 67 8.886 2.867 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.803 4.292 -2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.778 2.635 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.325 1.766 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.414 1.911 -0.680 1.00 0.00 H new ATOM 1047 N GLU A 68 8.123 5.837 -5.108 1.00 0.00 N ATOM 1048 CA GLU A 68 7.563 6.753 -6.091 1.00 0.00 C ATOM 1049 C GLU A 68 6.208 7.292 -5.625 1.00 0.00 C ATOM 1050 O GLU A 68 5.437 7.853 -6.405 1.00 0.00 O ATOM 1051 CB GLU A 68 7.429 6.071 -7.459 1.00 0.00 C ATOM 1052 CG GLU A 68 7.062 7.012 -8.596 1.00 0.00 C ATOM 1053 CD GLU A 68 6.855 6.293 -9.908 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.855 5.990 -10.593 1.00 0.00 O ATOM 1055 OE2 GLU A 68 5.690 6.036 -10.270 1.00 0.00 O ATOM 0 H GLU A 68 8.823 6.264 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 68 8.248 7.594 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.371 5.579 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.671 5.291 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.152 7.552 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.850 7.755 -8.715 1.00 0.00 H new ATOM 1062 N VAL A 69 5.930 7.163 -4.341 1.00 0.00 N ATOM 1063 CA VAL A 69 4.709 7.725 -3.797 1.00 0.00 C ATOM 1064 C VAL A 69 4.978 9.127 -3.255 1.00 0.00 C ATOM 1065 O VAL A 69 5.622 9.307 -2.221 1.00 0.00 O ATOM 1066 CB VAL A 69 4.044 6.802 -2.729 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.063 6.066 -1.869 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.091 7.594 -1.845 1.00 0.00 C ATOM 0 H VAL A 69 6.523 6.682 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 69 3.985 7.800 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 69 3.482 6.049 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.543 5.440 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.691 5.441 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.685 6.790 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.640 6.929 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.641 8.383 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.308 8.038 -2.460 1.00 0.00 H new ATOM 1078 N SER A 70 4.502 10.121 -3.995 1.00 0.00 N ATOM 1079 CA SER A 70 4.691 11.517 -3.631 1.00 0.00 C ATOM 1080 C SER A 70 3.358 12.176 -3.301 1.00 0.00 C ATOM 1081 O SER A 70 3.308 13.229 -2.667 1.00 0.00 O ATOM 1082 CB SER A 70 5.388 12.254 -4.771 1.00 0.00 C ATOM 1083 OG SER A 70 4.842 11.879 -6.025 1.00 0.00 O ATOM 0 H SER A 70 3.978 9.982 -4.859 1.00 0.00 H new ATOM 0 HA SER A 70 5.317 11.567 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.283 13.330 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.455 12.033 -4.754 1.00 0.00 H new ATOM 0 HG SER A 70 5.303 12.365 -6.741 1.00 0.00 H new ATOM 1089 N ALA A 71 2.280 11.551 -3.745 1.00 0.00 N ATOM 1090 CA ALA A 71 0.945 11.987 -3.387 1.00 0.00 C ATOM 1091 C ALA A 71 0.404 11.069 -2.309 1.00 0.00 C ATOM 1092 O ALA A 71 0.747 9.889 -2.273 1.00 0.00 O ATOM 1093 CB ALA A 71 0.034 11.979 -4.605 1.00 0.00 C ATOM 0 H ALA A 71 2.307 10.736 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 71 0.984 13.009 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.964 12.309 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.434 12.653 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.022 10.969 -5.011 1.00 0.00 H new ATOM 1099 N MET A 72 -0.404 11.596 -1.412 1.00 0.00 N ATOM 1100 CA MET A 72 -0.955 10.786 -0.340 1.00 0.00 C ATOM 1101 C MET A 72 -2.435 11.087 -0.163 1.00 0.00 C ATOM 1102 O MET A 72 -2.865 12.227 -0.321 1.00 0.00 O ATOM 1103 CB MET A 72 -0.206 11.021 0.981 1.00 0.00 C ATOM 1104 CG MET A 72 1.283 10.698 0.922 1.00 0.00 C ATOM 1105 SD MET A 72 2.265 12.047 0.234 1.00 0.00 S ATOM 1106 CE MET A 72 3.842 11.238 -0.022 1.00 0.00 C ATOM 0 H MET A 72 -0.693 12.574 -1.401 1.00 0.00 H new ATOM 0 HA MET A 72 -0.832 9.738 -0.614 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.329 12.064 1.275 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.667 10.414 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.641 10.470 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.432 9.802 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.406 11.774 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.405 11.235 0.911 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.676 10.211 -0.349 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.240 10.067 0.161 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.762 8.693 0.325 1.00 0.00 C ATOM 1118 C PRO A 73 -2.589 7.947 -1.007 1.00 0.00 C ATOM 1119 O PRO A 73 -3.255 8.254 -2.000 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.855 8.052 1.176 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.106 8.805 0.855 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.688 10.187 0.418 1.00 0.00 C ATOM 0 HA PRO A 73 -1.770 8.658 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.964 6.993 0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.617 8.121 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.666 8.304 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.759 8.857 1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.226 10.501 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.895 10.928 1.190 1.00 0.00 H new ATOM 1130 N THR A 74 -1.684 6.972 -1.005 1.00 0.00 N ATOM 1131 CA THR A 74 -1.349 6.189 -2.189 1.00 0.00 C ATOM 1132 C THR A 74 -1.274 4.704 -1.855 1.00 0.00 C ATOM 1133 O THR A 74 -0.835 4.311 -0.775 1.00 0.00 O ATOM 1134 CB THR A 74 0.001 6.659 -2.790 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.197 7.864 -3.535 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.655 5.605 -3.682 1.00 0.00 C ATOM 0 H THR A 74 -1.158 6.701 -0.174 1.00 0.00 H new ATOM 0 HA THR A 74 -2.138 6.343 -2.925 1.00 0.00 H new ATOM 0 HB THR A 74 0.678 6.835 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.135 8.635 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.596 5.992 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.847 4.704 -3.099 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.011 5.366 -4.511 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.721 3.895 -2.793 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.678 2.458 -2.666 1.00 0.00 C ATOM 1146 C LEU A 75 -0.747 1.886 -3.726 1.00 0.00 C ATOM 1147 O LEU A 75 -0.885 2.199 -4.910 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.068 1.871 -2.874 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.186 2.445 -2.007 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -4.917 3.584 -2.717 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.150 1.342 -1.644 1.00 0.00 C ATOM 0 H LEU A 75 -2.127 4.221 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.320 2.204 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.343 2.007 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.015 0.797 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.745 2.859 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.706 3.969 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.212 4.384 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.355 3.213 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.950 1.747 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.575 0.916 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.622 0.565 -1.092 1.00 0.00 H new ATOM 1163 N LEU A 76 0.197 1.060 -3.320 1.00 0.00 N ATOM 1164 CA LEU A 76 1.089 0.418 -4.270 1.00 0.00 C ATOM 1165 C LEU A 76 0.986 -1.097 -4.175 1.00 0.00 C ATOM 1166 O LEU A 76 1.323 -1.693 -3.152 1.00 0.00 O ATOM 1167 CB LEU A 76 2.534 0.883 -4.054 1.00 0.00 C ATOM 1168 CG LEU A 76 3.053 1.883 -5.097 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.435 2.405 -4.716 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.090 1.231 -6.473 1.00 0.00 C ATOM 0 H LEU A 76 0.367 0.817 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 76 0.784 0.712 -5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.610 1.338 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.186 0.009 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 76 2.371 2.733 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.778 3.111 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.381 2.906 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.134 1.571 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.459 1.948 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.751 0.365 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.086 0.912 -6.752 1.00 0.00 H new ATOM 1182 N LEU A 77 0.488 -1.705 -5.243 1.00 0.00 N ATOM 1183 CA LEU A 77 0.372 -3.150 -5.330 1.00 0.00 C ATOM 1184 C LEU A 77 1.605 -3.707 -6.025 1.00 0.00 C ATOM 1185 O LEU A 77 1.947 -3.275 -7.129 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.875 -3.558 -6.134 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.244 -3.443 -5.444 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.463 -2.069 -4.827 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.337 -3.737 -6.455 1.00 0.00 C ATOM 0 H LEU A 77 0.155 -1.210 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 77 0.284 -3.550 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.904 -2.950 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.745 -4.593 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.274 -4.169 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.443 -2.036 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.691 -1.878 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.412 -1.308 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.311 -3.657 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.278 -3.020 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.208 -4.746 -6.847 1.00 0.00 H new ATOM 1201 N PHE A 78 2.270 -4.656 -5.393 1.00 0.00 N ATOM 1202 CA PHE A 78 3.423 -5.303 -6.000 1.00 0.00 C ATOM 1203 C PHE A 78 3.239 -6.807 -6.023 1.00 0.00 C ATOM 1204 O PHE A 78 2.519 -7.357 -5.192 1.00 0.00 O ATOM 1205 CB PHE A 78 4.714 -4.959 -5.257 1.00 0.00 C ATOM 1206 CG PHE A 78 5.255 -3.587 -5.558 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.762 -2.468 -4.913 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.274 -3.424 -6.484 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.276 -1.215 -5.186 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.788 -2.174 -6.762 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.289 -1.068 -6.112 1.00 0.00 C ATOM 0 H PHE A 78 2.034 -4.997 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 78 3.503 -4.932 -7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.535 -5.039 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.473 -5.700 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.968 -2.574 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.671 -4.288 -6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.884 -0.349 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.580 -2.064 -7.488 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.689 -0.088 -6.326 1.00 0.00 H new ATOM 1221 N LYS A 79 3.857 -7.466 -6.992 1.00 0.00 N ATOM 1222 CA LYS A 79 3.883 -8.912 -7.003 1.00 0.00 C ATOM 1223 C LYS A 79 5.277 -9.419 -7.373 1.00 0.00 C ATOM 1224 O LYS A 79 5.747 -9.225 -8.497 1.00 0.00 O ATOM 1225 CB LYS A 79 2.836 -9.447 -7.970 1.00 0.00 C ATOM 1226 CG LYS A 79 2.522 -10.921 -7.795 1.00 0.00 C ATOM 1227 CD LYS A 79 1.358 -11.337 -8.676 1.00 0.00 C ATOM 1228 CE LYS A 79 1.067 -12.823 -8.562 1.00 0.00 C ATOM 1229 NZ LYS A 79 -0.089 -13.222 -9.404 1.00 0.00 N ATOM 0 H LYS A 79 4.342 -7.023 -7.772 1.00 0.00 H new ATOM 0 HA LYS A 79 3.646 -9.276 -6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.917 -8.874 -7.846 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.181 -9.279 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.401 -11.516 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.284 -11.124 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.470 -10.770 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.581 -11.089 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.948 -13.390 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.864 -13.075 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.216 -14.253 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.949 -12.750 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.087 -12.943 -10.390 1.00 0.00 H new ATOM 1243 N ASN A 80 5.921 -10.052 -6.398 1.00 0.00 N ATOM 1244 CA ASN A 80 7.234 -10.701 -6.557 1.00 0.00 C ATOM 1245 C ASN A 80 8.315 -9.713 -6.994 1.00 0.00 C ATOM 1246 O ASN A 80 8.979 -9.918 -8.013 1.00 0.00 O ATOM 1247 CB ASN A 80 7.194 -11.865 -7.566 1.00 0.00 C ATOM 1248 CG ASN A 80 5.828 -12.501 -7.761 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.028 -12.616 -6.834 1.00 0.00 O ATOM 1250 ND2 ASN A 80 5.547 -12.911 -8.988 1.00 0.00 N ATOM 0 H ASN A 80 5.544 -10.134 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 80 7.482 -11.094 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.550 -11.502 -8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.893 -12.635 -7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.643 -13.338 -9.188 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.235 -12.800 -9.733 1.00 0.00 H new ATOM 1257 N GLY A 81 8.490 -8.638 -6.229 1.00 0.00 N ATOM 1258 CA GLY A 81 9.548 -7.681 -6.522 1.00 0.00 C ATOM 1259 C GLY A 81 9.265 -6.880 -7.772 1.00 0.00 C ATOM 1260 O GLY A 81 10.130 -6.168 -8.282 1.00 0.00 O ATOM 0 H GLY A 81 7.921 -8.412 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.666 -7.003 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.493 -8.212 -6.639 1.00 0.00 H new ATOM 1264 N LYS A 82 8.050 -7.010 -8.263 1.00 0.00 N ATOM 1265 CA LYS A 82 7.597 -6.285 -9.426 1.00 0.00 C ATOM 1266 C LYS A 82 6.312 -5.593 -9.050 1.00 0.00 C ATOM 1267 O LYS A 82 5.678 -5.982 -8.080 1.00 0.00 O ATOM 1268 CB LYS A 82 7.353 -7.248 -10.590 1.00 0.00 C ATOM 1269 CG LYS A 82 8.539 -8.142 -10.902 1.00 0.00 C ATOM 1270 CD LYS A 82 8.159 -9.269 -11.845 1.00 0.00 C ATOM 1271 CE LYS A 82 9.335 -10.195 -12.105 1.00 0.00 C ATOM 1272 NZ LYS A 82 9.848 -10.813 -10.851 1.00 0.00 N ATOM 0 H LYS A 82 7.345 -7.628 -7.861 1.00 0.00 H new ATOM 0 HA LYS A 82 8.348 -5.562 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.490 -7.872 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.100 -6.672 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.336 -7.547 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.934 -8.560 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.333 -9.838 -11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.806 -8.853 -12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.032 -10.980 -12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.137 -9.636 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.981 -11.834 -10.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.758 -10.378 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.164 -10.659 -10.083 1.00 0.00 H new ATOM 1286 N GLU A 83 5.928 -4.574 -9.781 1.00 0.00 N ATOM 1287 CA GLU A 83 4.675 -3.901 -9.517 1.00 0.00 C ATOM 1288 C GLU A 83 3.526 -4.788 -9.989 1.00 0.00 C ATOM 1289 O GLU A 83 3.750 -5.918 -10.424 1.00 0.00 O ATOM 1290 CB GLU A 83 4.663 -2.551 -10.244 1.00 0.00 C ATOM 1291 CG GLU A 83 3.594 -1.580 -9.764 1.00 0.00 C ATOM 1292 CD GLU A 83 3.793 -0.199 -10.343 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.569 0.588 -9.764 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.189 0.098 -11.393 1.00 0.00 O ATOM 0 H GLU A 83 6.462 -4.192 -10.562 1.00 0.00 H new ATOM 0 HA GLU A 83 4.558 -3.718 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.640 -2.082 -10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.521 -2.729 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.610 -1.954 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.615 -1.525 -8.676 1.00 0.00 H new ATOM 1301 N VAL A 84 2.311 -4.308 -9.809 1.00 0.00 N ATOM 1302 CA VAL A 84 1.139 -4.863 -10.469 1.00 0.00 C ATOM 1303 C VAL A 84 0.079 -3.788 -10.602 1.00 0.00 C ATOM 1304 O VAL A 84 -0.699 -3.789 -11.557 1.00 0.00 O ATOM 1305 CB VAL A 84 0.531 -6.093 -9.762 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.192 -7.382 -10.223 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.647 -5.955 -8.267 1.00 0.00 C ATOM 0 H VAL A 84 2.105 -3.518 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 84 1.480 -5.211 -11.444 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.524 -6.140 -10.032 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.740 -8.228 -9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.053 -7.498 -11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.258 -7.346 -9.997 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.213 -6.832 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.698 -5.872 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.114 -5.061 -7.942 1.00 0.00 H new ATOM 1317 N ALA A 85 0.064 -2.855 -9.652 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.858 -1.739 -9.708 1.00 0.00 C ATOM 1319 C ALA A 85 -0.417 -0.605 -8.800 1.00 0.00 C ATOM 1320 O ALA A 85 0.340 -0.803 -7.853 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.270 -2.187 -9.367 1.00 0.00 C ATOM 0 H ALA A 85 0.681 -2.856 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.856 -1.361 -10.730 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.945 -1.332 -9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.593 -2.945 -10.080 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.286 -2.605 -8.361 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.902 0.584 -9.108 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.521 1.793 -8.400 1.00 0.00 C ATOM 1329 C LYS A 86 -1.700 2.756 -8.372 1.00 0.00 C ATOM 1330 O LYS A 86 -2.218 3.136 -9.423 1.00 0.00 O ATOM 1331 CB LYS A 86 0.683 2.420 -9.102 1.00 0.00 C ATOM 1332 CG LYS A 86 1.186 3.717 -8.487 1.00 0.00 C ATOM 1333 CD LYS A 86 2.202 4.392 -9.401 1.00 0.00 C ATOM 1334 CE LYS A 86 3.361 3.463 -9.740 1.00 0.00 C ATOM 1335 NZ LYS A 86 4.198 3.989 -10.847 1.00 0.00 N ATOM 0 H LYS A 86 -1.574 0.739 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.245 1.560 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.499 1.697 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.420 2.608 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.347 4.390 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.641 3.513 -7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.710 4.710 -10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.585 5.291 -8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.981 3.321 -8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.970 2.484 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.071 3.428 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.671 3.926 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.440 4.982 -10.657 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.133 3.135 -7.178 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.350 3.920 -7.030 1.00 0.00 C ATOM 1351 C VAL A 87 -3.114 5.122 -6.128 1.00 0.00 C ATOM 1352 O VAL A 87 -2.498 5.003 -5.074 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.496 3.072 -6.438 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.810 3.839 -6.479 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.626 1.744 -7.170 1.00 0.00 C ATOM 0 H VAL A 87 -1.662 2.913 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.633 4.260 -8.026 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.255 2.861 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.604 3.223 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.714 4.756 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.054 4.088 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.440 1.166 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.836 1.928 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.695 1.185 -7.078 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.612 6.273 -6.540 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.482 7.488 -5.748 1.00 0.00 C ATOM 1367 C VAL A 88 -4.847 7.975 -5.262 1.00 0.00 C ATOM 1368 O VAL A 88 -5.186 9.152 -5.401 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.778 8.613 -6.544 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.300 8.300 -6.716 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.437 8.812 -7.905 1.00 0.00 C ATOM 0 H VAL A 88 -4.112 6.395 -7.421 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.866 7.241 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.876 9.539 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.821 9.102 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.830 8.213 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.188 7.361 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.924 9.608 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.375 7.887 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.483 9.084 -7.766 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.625 7.072 -4.674 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.959 7.427 -4.232 1.00 0.00 C ATOM 1383 C GLY A 89 -7.740 6.235 -3.714 1.00 0.00 C ATOM 1384 O GLY A 89 -7.914 5.244 -4.422 1.00 0.00 O ATOM 0 H GLY A 89 -5.356 6.104 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.889 8.179 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.503 7.881 -5.060 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.189 6.335 -2.469 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.985 5.299 -1.830 1.00 0.00 C ATOM 1390 C ALA A 90 -10.270 4.994 -2.588 1.00 0.00 C ATOM 1391 O ALA A 90 -11.225 5.773 -2.556 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.325 5.731 -0.422 1.00 0.00 C ATOM 0 H ALA A 90 -8.009 7.142 -1.872 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.389 4.387 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.922 4.958 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.406 5.886 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.893 6.661 -0.454 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.287 3.866 -3.276 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.488 3.414 -3.954 1.00 0.00 C ATOM 1400 C ASN A 91 -11.944 2.065 -3.395 1.00 0.00 C ATOM 1401 O ASN A 91 -11.551 1.018 -3.906 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.220 3.299 -5.452 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.247 4.036 -6.289 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -13.462 4.155 -5.776 1.00 0.00 O flip ATOM 1405 ND2 ASN A 91 -11.950 4.494 -7.391 1.00 0.00 N flip ATOM 0 H ASN A 91 -9.483 3.247 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.282 4.141 -3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.228 3.694 -5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.214 2.247 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.002 4.382 -7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.651 4.986 -7.944 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.780 2.087 -2.335 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.221 0.891 -1.598 1.00 0.00 C ATOM 1414 C PRO A 92 -13.431 -0.362 -2.447 1.00 0.00 C ATOM 1415 O PRO A 92 -12.792 -1.389 -2.216 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.541 1.354 -0.998 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.323 2.795 -0.697 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.348 3.312 -1.731 1.00 0.00 C ATOM 0 HA PRO A 92 -12.461 0.572 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.366 1.214 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.787 0.792 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.262 3.346 -0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.925 2.924 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.848 3.929 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.573 3.928 -1.275 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.316 -0.278 -3.423 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.676 -1.445 -4.212 1.00 0.00 C ATOM 1428 C ALA A 93 -13.690 -1.696 -5.339 1.00 0.00 C ATOM 1429 O ALA A 93 -13.186 -2.809 -5.494 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.084 -1.292 -4.763 1.00 0.00 C ATOM 0 H ALA A 93 -14.798 0.581 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.641 -2.312 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.342 -2.172 -5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.788 -1.189 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.133 -0.405 -5.395 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.401 -0.659 -6.111 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.551 -0.791 -7.285 1.00 0.00 C ATOM 1438 C ALA A 94 -11.154 -1.282 -6.927 1.00 0.00 C ATOM 1439 O ALA A 94 -10.526 -2.001 -7.706 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.468 0.529 -8.029 1.00 0.00 C ATOM 0 H ALA A 94 -13.744 0.287 -5.945 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.006 -1.540 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.829 0.414 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.466 0.831 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.049 1.291 -7.372 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.669 -0.920 -5.749 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.316 -1.297 -5.369 1.00 0.00 C ATOM 1448 C ILE A 95 -9.298 -2.697 -4.777 1.00 0.00 C ATOM 1449 O ILE A 95 -8.362 -3.456 -5.008 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.661 -0.294 -4.398 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.680 1.117 -4.990 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.230 -0.707 -4.094 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -8.210 1.188 -6.428 1.00 0.00 C ATOM 0 H ILE A 95 -11.179 -0.377 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.722 -1.283 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.234 -0.294 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.694 1.511 -4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.050 1.764 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.782 0.011 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.226 -1.697 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.654 -0.732 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.253 2.221 -6.774 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.184 0.826 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.854 0.569 -7.052 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.340 -3.053 -4.034 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.513 -4.436 -3.598 1.00 0.00 C ATOM 1467 C LYS A 96 -10.579 -5.335 -4.824 1.00 0.00 C ATOM 1468 O LYS A 96 -10.008 -6.425 -4.853 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.771 -4.566 -2.711 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.401 -5.955 -2.652 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.388 -6.193 -3.787 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.067 -7.547 -3.655 1.00 0.00 C ATOM 1473 NZ LYS A 96 -14.929 -7.852 -4.828 1.00 0.00 N ATOM 0 H LYS A 96 -11.071 -2.413 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.664 -4.748 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.511 -4.262 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.521 -3.862 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.615 -6.709 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.912 -6.079 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.141 -5.405 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.867 -6.137 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.310 -8.324 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.670 -7.564 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.374 -8.783 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.667 -7.125 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.350 -7.862 -5.692 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.250 -4.834 -5.850 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.338 -5.522 -7.122 1.00 0.00 C ATOM 1489 C GLN A 97 -9.992 -5.494 -7.840 1.00 0.00 C ATOM 1490 O GLN A 97 -9.700 -6.359 -8.667 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.423 -4.869 -7.989 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.643 -5.566 -9.320 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.228 -6.952 -9.157 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.015 -7.207 -8.242 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.832 -7.861 -10.031 1.00 0.00 N ATOM 0 H GLN A 97 -11.746 -3.943 -5.822 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.605 -6.563 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.361 -4.859 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.151 -3.830 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.310 -4.963 -9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.694 -5.636 -9.852 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.179 -7.606 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.179 -8.818 -9.964 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.160 -4.516 -7.504 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.863 -4.396 -8.134 1.00 0.00 C ATOM 1506 C ALA A 98 -6.930 -5.416 -7.530 1.00 0.00 C ATOM 1507 O ALA A 98 -6.407 -6.280 -8.217 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.305 -2.992 -7.979 1.00 0.00 C ATOM 0 H ALA A 98 -9.363 -3.803 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.965 -4.584 -9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.330 -2.933 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.984 -2.277 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.200 -2.757 -6.920 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.765 -5.329 -6.229 1.00 0.00 N ATOM 1515 CA ILE A 99 -5.926 -6.251 -5.486 1.00 0.00 C ATOM 1516 C ILE A 99 -6.289 -7.701 -5.793 1.00 0.00 C ATOM 1517 O ILE A 99 -5.407 -8.538 -5.974 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.032 -5.981 -3.984 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.666 -4.528 -3.750 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.107 -6.914 -3.224 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -6.446 -3.906 -2.641 1.00 0.00 C ATOM 0 H ILE A 99 -7.209 -4.615 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.894 -6.090 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.044 -6.165 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.602 -4.458 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.834 -3.964 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.188 -6.716 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.389 -7.948 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.079 -6.749 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.141 -2.867 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.509 -3.947 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.258 -4.449 -1.715 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.586 -7.982 -5.896 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.046 -9.322 -6.236 1.00 0.00 C ATOM 1535 C ALA A 100 -7.647 -9.694 -7.663 1.00 0.00 C ATOM 1536 O ALA A 100 -7.351 -10.852 -7.952 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.552 -9.421 -6.064 1.00 0.00 C ATOM 0 H ALA A 100 -8.332 -7.302 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.567 -10.028 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.882 -10.427 -6.321 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.815 -9.207 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.041 -8.700 -6.719 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.636 -8.703 -8.546 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.267 -8.910 -9.944 1.00 0.00 C ATOM 1545 C ALA A 101 -5.769 -9.158 -10.102 1.00 0.00 C ATOM 1546 O ALA A 101 -5.345 -9.957 -10.940 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.672 -7.700 -10.774 1.00 0.00 C ATOM 0 H ALA A 101 -7.880 -7.739 -8.317 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.796 -9.795 -10.297 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.393 -7.863 -11.815 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.750 -7.556 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.163 -6.813 -10.397 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.977 -8.463 -9.296 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.522 -8.520 -9.408 1.00 0.00 C ATOM 1555 C ASN A 102 -2.954 -9.708 -8.643 1.00 0.00 C ATOM 1556 O ASN A 102 -1.828 -10.137 -8.894 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.893 -7.216 -8.906 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.316 -6.013 -9.728 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.746 -5.727 -10.779 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.298 -5.283 -9.231 1.00 0.00 N ATOM 0 H ASN A 102 -5.317 -7.851 -8.555 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.275 -8.648 -10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.174 -7.058 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.807 -7.306 -8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.610 -4.446 -9.723 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.744 -5.556 -8.355 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.738 -10.237 -7.713 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.324 -11.398 -6.940 1.00 0.00 C ATOM 1569 C ALA A 103 -3.474 -12.669 -7.766 1.00 0.00 C ATOM 1570 O ALA A 103 -2.558 -12.977 -8.549 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.134 -11.496 -5.655 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.512 -13.352 -7.640 1.00 0.00 O ATOM 0 H ALA A 103 -4.664 -9.880 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.273 -11.282 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.812 -12.370 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.978 -10.598 -5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.192 -11.591 -5.898 1.00 0.00 H new