USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 2 GLN :FLIP amide:sc= -10.5! C(o=-20!,f=-13!) USER MOD Set 1.2: A 81 THR OG1 : rot -172:sc= -2.74! USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 1.02 USER MOD Set 2.2: A 71 SER OG : rot 87:sc= 1.22 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.268 (180deg=-1.55!) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.11) USER MOD Single : A 3 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.04) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -6.53! C(o=-8.7!,f=-6.5!) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.23 F(o=-2,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 65 HIS : no HE2:sc= -4.65 K(o=-4.7,f=-5.9!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.494 11.239 2.972 1.00 0.00 N ATOM 2 CA MET A 1 -2.791 10.335 3.925 1.00 0.00 C ATOM 3 C MET A 1 -3.795 9.380 4.569 1.00 0.00 C ATOM 4 O MET A 1 -3.902 8.231 4.189 1.00 0.00 O ATOM 5 CB MET A 1 -2.107 11.167 5.010 1.00 0.00 C ATOM 6 CG MET A 1 -0.914 11.907 4.404 1.00 0.00 C ATOM 7 SD MET A 1 -0.006 12.764 5.714 1.00 0.00 S ATOM 8 CE MET A 1 -1.360 13.829 6.269 1.00 0.00 C ATOM 0 H1 MET A 1 -2.794 11.755 2.403 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.103 10.676 2.345 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.077 11.917 3.503 1.00 0.00 H new ATOM 0 HA MET A 1 -2.042 9.757 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.813 11.880 5.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.774 10.522 5.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.258 11.203 3.893 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.258 12.623 3.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.950 14.731 6.724 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.981 14.102 5.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.965 13.296 7.002 1.00 0.00 H new ATOM 20 N GLN A 2 -4.529 9.841 5.543 1.00 0.00 N ATOM 21 CA GLN A 2 -5.518 8.948 6.207 1.00 0.00 C ATOM 22 C GLN A 2 -4.804 7.678 6.673 1.00 0.00 C ATOM 23 O GLN A 2 -4.882 6.643 6.041 1.00 0.00 O ATOM 24 CB GLN A 2 -6.627 8.588 5.215 1.00 0.00 C ATOM 25 CG GLN A 2 -7.378 9.860 4.814 1.00 0.00 C ATOM 26 CD GLN A 2 -8.553 9.500 3.904 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.728 8.258 3.546 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -9.318 10.358 3.512 1.00 0.00 N flip ATOM 0 H GLN A 2 -4.487 10.793 5.906 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.960 9.454 7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.201 8.110 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.315 7.872 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.739 10.376 5.703 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.704 10.545 4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.182 11.329 3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.097 10.107 2.903 1.00 0.00 H new ATOM 37 N HIS A 3 -4.090 7.759 7.766 1.00 0.00 N ATOM 38 CA HIS A 3 -3.350 6.567 8.273 1.00 0.00 C ATOM 39 C HIS A 3 -2.358 6.105 7.202 1.00 0.00 C ATOM 40 O HIS A 3 -2.198 4.927 6.949 1.00 0.00 O ATOM 41 CB HIS A 3 -4.336 5.440 8.604 1.00 0.00 C ATOM 42 CG HIS A 3 -4.724 5.528 10.054 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.257 4.448 10.745 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.660 6.558 10.961 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.490 4.849 12.009 1.00 0.00 C ATOM 46 NE2 HIS A 3 -5.143 6.125 12.190 1.00 0.00 N ATOM 0 H HIS A 3 -3.988 8.603 8.330 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.808 6.829 9.182 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.222 5.519 7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.882 4.471 8.395 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.291 7.551 10.751 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.906 4.217 12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.217 6.668 13.050 1.00 0.00 H new ATOM 55 N ALA A 4 -1.691 7.032 6.572 1.00 0.00 N ATOM 56 CA ALA A 4 -0.708 6.660 5.517 1.00 0.00 C ATOM 57 C ALA A 4 0.414 5.821 6.129 1.00 0.00 C ATOM 58 O ALA A 4 0.964 4.944 5.493 1.00 0.00 O ATOM 59 CB ALA A 4 -0.114 7.930 4.906 1.00 0.00 C ATOM 0 H ALA A 4 -1.785 8.033 6.743 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.212 6.080 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.606 7.660 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.911 8.529 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.387 8.508 5.683 1.00 0.00 H new ATOM 65 N SER A 5 0.768 6.088 7.357 1.00 0.00 N ATOM 66 CA SER A 5 1.865 5.310 7.999 1.00 0.00 C ATOM 67 C SER A 5 1.503 3.826 8.033 1.00 0.00 C ATOM 68 O SER A 5 2.332 2.973 7.788 1.00 0.00 O ATOM 69 CB SER A 5 2.083 5.813 9.426 1.00 0.00 C ATOM 70 OG SER A 5 3.236 5.186 9.973 1.00 0.00 O ATOM 0 H SER A 5 0.346 6.809 7.942 1.00 0.00 H new ATOM 0 HA SER A 5 2.780 5.442 7.421 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.208 6.896 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.209 5.593 10.039 1.00 0.00 H new ATOM 0 HG SER A 5 3.380 5.507 10.888 1.00 0.00 H new ATOM 76 N VAL A 6 0.274 3.506 8.325 1.00 0.00 N ATOM 77 CA VAL A 6 -0.121 2.072 8.360 1.00 0.00 C ATOM 78 C VAL A 6 0.051 1.487 6.963 1.00 0.00 C ATOM 79 O VAL A 6 0.529 0.385 6.786 1.00 0.00 O ATOM 80 CB VAL A 6 -1.581 1.947 8.790 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.040 0.497 8.624 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.717 2.360 10.257 1.00 0.00 C ATOM 0 H VAL A 6 -0.469 4.171 8.540 1.00 0.00 H new ATOM 0 HA VAL A 6 0.504 1.533 9.072 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.199 2.597 8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.082 0.408 8.931 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.943 0.202 7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.422 -0.153 9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.759 2.271 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.099 1.710 10.877 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.390 3.393 10.376 1.00 0.00 H new ATOM 92 N ILE A 7 -0.338 2.228 5.968 1.00 0.00 N ATOM 93 CA ILE A 7 -0.206 1.741 4.570 1.00 0.00 C ATOM 94 C ILE A 7 1.271 1.556 4.218 1.00 0.00 C ATOM 95 O ILE A 7 1.668 0.544 3.675 1.00 0.00 O ATOM 96 CB ILE A 7 -0.829 2.773 3.634 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.307 2.949 3.994 1.00 0.00 C ATOM 98 CG2 ILE A 7 -0.708 2.294 2.186 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.901 4.101 3.184 1.00 0.00 C ATOM 0 H ILE A 7 -0.745 3.158 6.064 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.715 0.783 4.465 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.309 3.725 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.853 2.028 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.410 3.150 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.154 3.033 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.344 2.165 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.228 1.343 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.953 4.223 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.362 5.021 3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.812 3.881 2.120 1.00 0.00 H new ATOM 111 N ALA A 8 2.086 2.531 4.512 1.00 0.00 N ATOM 112 CA ALA A 8 3.537 2.416 4.183 1.00 0.00 C ATOM 113 C ALA A 8 4.169 1.273 4.975 1.00 0.00 C ATOM 114 O ALA A 8 4.858 0.436 4.429 1.00 0.00 O ATOM 115 CB ALA A 8 4.246 3.725 4.536 1.00 0.00 C ATOM 0 H ALA A 8 1.811 3.402 4.966 1.00 0.00 H new ATOM 0 HA ALA A 8 3.642 2.213 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.306 3.641 4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.808 4.542 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.130 3.926 5.601 1.00 0.00 H new ATOM 121 N GLN A 9 3.949 1.231 6.258 1.00 0.00 N ATOM 122 CA GLN A 9 4.553 0.141 7.072 1.00 0.00 C ATOM 123 C GLN A 9 3.887 -1.192 6.727 1.00 0.00 C ATOM 124 O GLN A 9 4.542 -2.205 6.599 1.00 0.00 O ATOM 125 CB GLN A 9 4.394 0.454 8.566 1.00 0.00 C ATOM 126 CG GLN A 9 2.984 0.098 9.033 1.00 0.00 C ATOM 127 CD GLN A 9 2.902 -1.401 9.329 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.819 -2.057 9.016 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 3.833 -1.979 9.854 1.00 0.00 N flip ATOM 0 H GLN A 9 3.380 1.900 6.776 1.00 0.00 H new ATOM 0 HA GLN A 9 5.617 0.068 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.129 -0.108 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.588 1.511 8.746 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.731 0.669 9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.258 0.367 8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.680 -1.465 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.768 -2.978 10.050 1.00 0.00 H new ATOM 138 N PHE A 10 2.593 -1.203 6.569 1.00 0.00 N ATOM 139 CA PHE A 10 1.896 -2.475 6.228 1.00 0.00 C ATOM 140 C PHE A 10 2.350 -2.948 4.848 1.00 0.00 C ATOM 141 O PHE A 10 2.705 -4.095 4.657 1.00 0.00 O ATOM 142 CB PHE A 10 0.384 -2.243 6.217 1.00 0.00 C ATOM 143 CG PHE A 10 -0.325 -3.556 5.994 1.00 0.00 C ATOM 144 CD1 PHE A 10 -0.607 -4.390 7.082 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.699 -3.939 4.701 1.00 0.00 C ATOM 146 CE1 PHE A 10 -1.264 -5.608 6.877 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.356 -5.157 4.496 1.00 0.00 C ATOM 148 CZ PHE A 10 -1.639 -5.992 5.584 1.00 0.00 C ATOM 0 H PHE A 10 1.988 -0.387 6.661 1.00 0.00 H new ATOM 0 HA PHE A 10 2.140 -3.234 6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.066 -1.802 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.119 -1.536 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.318 -4.093 8.079 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.481 -3.295 3.862 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.482 -6.252 7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.645 -5.453 3.498 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.146 -6.932 5.426 1.00 0.00 H new ATOM 158 N VAL A 11 2.340 -2.072 3.884 1.00 0.00 N ATOM 159 CA VAL A 11 2.770 -2.463 2.513 1.00 0.00 C ATOM 160 C VAL A 11 4.261 -2.803 2.527 1.00 0.00 C ATOM 161 O VAL A 11 4.689 -3.800 1.980 1.00 0.00 O ATOM 162 CB VAL A 11 2.524 -1.293 1.559 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.996 -1.668 0.154 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.030 -0.968 1.529 1.00 0.00 C ATOM 0 H VAL A 11 2.052 -1.099 3.986 1.00 0.00 H new ATOM 0 HA VAL A 11 2.202 -3.333 2.182 1.00 0.00 H new ATOM 0 HB VAL A 11 3.079 -0.420 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.820 -0.833 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.061 -1.898 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.444 -2.541 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.853 -0.134 0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.475 -1.841 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.696 -0.697 2.531 1.00 0.00 H new ATOM 174 N VAL A 12 5.052 -1.979 3.154 1.00 0.00 N ATOM 175 CA VAL A 12 6.516 -2.241 3.215 1.00 0.00 C ATOM 176 C VAL A 12 6.772 -3.527 4.005 1.00 0.00 C ATOM 177 O VAL A 12 7.679 -4.279 3.708 1.00 0.00 O ATOM 178 CB VAL A 12 7.212 -1.058 3.889 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.711 -1.334 4.002 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.994 0.203 3.050 1.00 0.00 C ATOM 0 H VAL A 12 4.745 -1.130 3.630 1.00 0.00 H new ATOM 0 HA VAL A 12 6.913 -2.362 2.207 1.00 0.00 H new ATOM 0 HB VAL A 12 6.795 -0.916 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.202 -0.488 4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.872 -2.233 4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.130 -1.479 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.489 1.048 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.411 0.054 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.926 0.406 2.969 1.00 0.00 H new ATOM 190 N GLU A 13 5.979 -3.786 5.010 1.00 0.00 N ATOM 191 CA GLU A 13 6.178 -5.023 5.819 1.00 0.00 C ATOM 192 C GLU A 13 6.151 -6.239 4.898 1.00 0.00 C ATOM 193 O GLU A 13 6.790 -7.241 5.153 1.00 0.00 O ATOM 194 CB GLU A 13 5.059 -5.147 6.852 1.00 0.00 C ATOM 195 CG GLU A 13 5.318 -6.360 7.742 1.00 0.00 C ATOM 196 CD GLU A 13 4.146 -6.547 8.707 1.00 0.00 C ATOM 197 OE1 GLU A 13 3.208 -5.772 8.626 1.00 0.00 O ATOM 198 OE2 GLU A 13 4.207 -7.462 9.512 1.00 0.00 O ATOM 0 H GLU A 13 5.202 -3.195 5.306 1.00 0.00 H new ATOM 0 HA GLU A 13 7.139 -4.970 6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.008 -4.243 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.097 -5.250 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.444 -7.253 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.244 -6.223 8.301 1.00 0.00 H new ATOM 205 N GLU A 14 5.415 -6.159 3.827 1.00 0.00 N ATOM 206 CA GLU A 14 5.340 -7.306 2.885 1.00 0.00 C ATOM 207 C GLU A 14 6.712 -7.535 2.245 1.00 0.00 C ATOM 208 O GLU A 14 7.073 -8.647 1.913 1.00 0.00 O ATOM 209 CB GLU A 14 4.307 -6.997 1.800 1.00 0.00 C ATOM 210 CG GLU A 14 4.146 -8.208 0.883 1.00 0.00 C ATOM 211 CD GLU A 14 3.474 -9.347 1.653 1.00 0.00 C ATOM 212 OE1 GLU A 14 2.778 -9.058 2.612 1.00 0.00 O ATOM 213 OE2 GLU A 14 3.668 -10.489 1.270 1.00 0.00 O ATOM 0 H GLU A 14 4.860 -5.345 3.563 1.00 0.00 H new ATOM 0 HA GLU A 14 5.044 -8.206 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.350 -6.745 2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.622 -6.129 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.547 -7.941 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.120 -8.530 0.514 1.00 0.00 H new ATOM 220 N PHE A 15 7.481 -6.495 2.070 1.00 0.00 N ATOM 221 CA PHE A 15 8.828 -6.663 1.451 1.00 0.00 C ATOM 222 C PHE A 15 9.819 -5.692 2.101 1.00 0.00 C ATOM 223 O PHE A 15 10.591 -5.039 1.430 1.00 0.00 O ATOM 224 CB PHE A 15 8.737 -6.377 -0.052 1.00 0.00 C ATOM 225 CG PHE A 15 8.452 -4.910 -0.277 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.152 -4.418 -0.118 1.00 0.00 C ATOM 227 CD2 PHE A 15 9.489 -4.042 -0.641 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.887 -3.058 -0.324 1.00 0.00 C ATOM 229 CE2 PHE A 15 9.225 -2.682 -0.846 1.00 0.00 C ATOM 230 CZ PHE A 15 7.924 -2.191 -0.687 1.00 0.00 C ATOM 0 H PHE A 15 7.236 -5.539 2.328 1.00 0.00 H new ATOM 0 HA PHE A 15 9.174 -7.685 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.670 -6.655 -0.542 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.949 -6.983 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.352 -5.087 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.493 -4.422 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.883 -2.679 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.025 -2.013 -1.127 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.720 -1.142 -0.845 1.00 0.00 H new ATOM 240 N LEU A 16 9.807 -5.589 3.403 1.00 0.00 N ATOM 241 CA LEU A 16 10.750 -4.657 4.079 1.00 0.00 C ATOM 242 C LEU A 16 12.138 -5.301 4.199 1.00 0.00 C ATOM 243 O LEU A 16 12.266 -6.419 4.655 1.00 0.00 O ATOM 244 CB LEU A 16 10.212 -4.290 5.477 1.00 0.00 C ATOM 245 CG LEU A 16 10.785 -5.196 6.584 1.00 0.00 C ATOM 246 CD1 LEU A 16 10.217 -4.749 7.931 1.00 0.00 C ATOM 247 CD2 LEU A 16 10.388 -6.658 6.345 1.00 0.00 C ATOM 0 H LEU A 16 9.187 -6.109 4.024 1.00 0.00 H new ATOM 0 HA LEU A 16 10.838 -3.749 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.459 -3.251 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.125 -4.366 5.476 1.00 0.00 H new ATOM 0 HG LEU A 16 11.872 -5.117 6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.616 -5.383 8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.499 -3.713 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.130 -4.831 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.802 -7.282 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.301 -6.745 6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.778 -6.988 5.382 1.00 0.00 H new ATOM 259 N PRO A 17 13.180 -4.600 3.817 1.00 0.00 N ATOM 260 CA PRO A 17 14.567 -5.126 3.924 1.00 0.00 C ATOM 261 C PRO A 17 15.053 -5.055 5.375 1.00 0.00 C ATOM 262 O PRO A 17 14.267 -5.121 6.299 1.00 0.00 O ATOM 263 CB PRO A 17 15.372 -4.185 3.022 1.00 0.00 C ATOM 264 CG PRO A 17 14.636 -2.890 3.066 1.00 0.00 C ATOM 265 CD PRO A 17 13.162 -3.238 3.246 1.00 0.00 C ATOM 0 HA PRO A 17 14.660 -6.171 3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 17 16.394 -4.071 3.382 1.00 0.00 H new ATOM 0 HB3 PRO A 17 15.434 -4.570 2.004 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.992 -2.269 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.792 -2.323 2.148 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.665 -2.533 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.627 -3.211 2.297 1.00 0.00 H new ATOM 273 N ASP A 18 16.326 -4.905 5.593 1.00 0.00 N ATOM 274 CA ASP A 18 16.828 -4.814 6.987 1.00 0.00 C ATOM 275 C ASP A 18 16.575 -3.397 7.509 1.00 0.00 C ATOM 276 O ASP A 18 17.110 -2.991 8.522 1.00 0.00 O ATOM 277 CB ASP A 18 18.327 -5.115 7.004 1.00 0.00 C ATOM 278 CG ASP A 18 19.080 -4.056 6.194 1.00 0.00 C ATOM 279 OD1 ASP A 18 18.476 -3.051 5.859 1.00 0.00 O ATOM 280 OD2 ASP A 18 20.250 -4.270 5.922 1.00 0.00 O ATOM 0 H ASP A 18 17.040 -4.842 4.867 1.00 0.00 H new ATOM 0 HA ASP A 18 16.313 -5.535 7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.693 -5.128 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.513 -6.105 6.587 1.00 0.00 H new ATOM 285 N VAL A 19 15.766 -2.641 6.812 1.00 0.00 N ATOM 286 CA VAL A 19 15.474 -1.244 7.247 1.00 0.00 C ATOM 287 C VAL A 19 14.006 -1.124 7.660 1.00 0.00 C ATOM 288 O VAL A 19 13.121 -1.620 6.992 1.00 0.00 O ATOM 289 CB VAL A 19 15.741 -0.290 6.083 1.00 0.00 C ATOM 290 CG1 VAL A 19 15.591 1.155 6.562 1.00 0.00 C ATOM 291 CG2 VAL A 19 17.161 -0.509 5.557 1.00 0.00 C ATOM 0 H VAL A 19 15.294 -2.934 5.957 1.00 0.00 H new ATOM 0 HA VAL A 19 16.112 -0.991 8.094 1.00 0.00 H new ATOM 0 HB VAL A 19 15.025 -0.484 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.781 1.835 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.579 1.312 6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.306 1.349 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.351 0.172 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.878 -0.317 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.267 -1.538 5.214 1.00 0.00 H new ATOM 301 N ALA A 20 13.739 -0.458 8.750 1.00 0.00 N ATOM 302 CA ALA A 20 12.326 -0.297 9.193 1.00 0.00 C ATOM 303 C ALA A 20 11.619 0.694 8.253 1.00 0.00 C ATOM 304 O ALA A 20 12.185 1.709 7.898 1.00 0.00 O ATOM 305 CB ALA A 20 12.303 0.255 10.619 1.00 0.00 C ATOM 0 H ALA A 20 14.437 -0.020 9.351 1.00 0.00 H new ATOM 0 HA ALA A 20 11.817 -1.261 9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.270 0.374 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.817 -0.437 11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.805 1.222 10.643 1.00 0.00 H new ATOM 311 N PRO A 21 10.393 0.428 7.852 1.00 0.00 N ATOM 312 CA PRO A 21 9.645 1.352 6.949 1.00 0.00 C ATOM 313 C PRO A 21 9.709 2.799 7.441 1.00 0.00 C ATOM 314 O PRO A 21 9.734 3.732 6.664 1.00 0.00 O ATOM 315 CB PRO A 21 8.205 0.841 7.009 1.00 0.00 C ATOM 316 CG PRO A 21 8.300 -0.596 7.402 1.00 0.00 C ATOM 317 CD PRO A 21 9.595 -0.763 8.197 1.00 0.00 C ATOM 0 HA PRO A 21 10.061 1.359 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.619 1.407 7.733 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.711 0.951 6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.439 -0.888 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.305 -1.236 6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.400 -0.814 9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.114 -1.682 7.923 1.00 0.00 H new ATOM 325 N ALA A 22 9.743 2.988 8.729 1.00 0.00 N ATOM 326 CA ALA A 22 9.816 4.368 9.281 1.00 0.00 C ATOM 327 C ALA A 22 11.190 4.967 8.970 1.00 0.00 C ATOM 328 O ALA A 22 11.360 6.169 8.922 1.00 0.00 O ATOM 329 CB ALA A 22 9.612 4.318 10.795 1.00 0.00 C ATOM 0 H ALA A 22 9.723 2.244 9.426 1.00 0.00 H new ATOM 0 HA ALA A 22 9.040 4.985 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.665 5.327 11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.635 3.888 11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.390 3.703 11.247 1.00 0.00 H new ATOM 335 N ASP A 23 12.173 4.132 8.767 1.00 0.00 N ATOM 336 CA ASP A 23 13.541 4.641 8.467 1.00 0.00 C ATOM 337 C ASP A 23 13.843 4.458 6.980 1.00 0.00 C ATOM 338 O ASP A 23 14.955 4.659 6.533 1.00 0.00 O ATOM 339 CB ASP A 23 14.567 3.863 9.294 1.00 0.00 C ATOM 340 CG ASP A 23 14.367 4.171 10.779 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.652 5.114 11.077 1.00 0.00 O ATOM 342 OD2 ASP A 23 14.933 3.460 11.593 1.00 0.00 O ATOM 0 H ASP A 23 12.087 3.116 8.796 1.00 0.00 H new ATOM 0 HA ASP A 23 13.596 5.700 8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.457 2.793 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.577 4.135 8.988 1.00 0.00 H new ATOM 347 N VAL A 24 12.863 4.079 6.209 1.00 0.00 N ATOM 348 CA VAL A 24 13.099 3.886 4.752 1.00 0.00 C ATOM 349 C VAL A 24 12.611 5.124 4.002 1.00 0.00 C ATOM 350 O VAL A 24 11.626 5.735 4.368 1.00 0.00 O ATOM 351 CB VAL A 24 12.337 2.651 4.266 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.939 3.057 3.795 1.00 0.00 C ATOM 353 CG2 VAL A 24 13.099 2.011 3.103 1.00 0.00 C ATOM 0 H VAL A 24 11.911 3.895 6.524 1.00 0.00 H new ATOM 0 HA VAL A 24 14.163 3.741 4.566 1.00 0.00 H new ATOM 0 HB VAL A 24 12.247 1.937 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.401 2.174 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.395 3.514 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.024 3.773 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.559 1.131 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.188 2.729 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.094 1.717 3.438 1.00 0.00 H new ATOM 363 N ASP A 25 13.294 5.507 2.962 1.00 0.00 N ATOM 364 CA ASP A 25 12.865 6.712 2.203 1.00 0.00 C ATOM 365 C ASP A 25 11.556 6.415 1.473 1.00 0.00 C ATOM 366 O ASP A 25 11.551 5.959 0.347 1.00 0.00 O ATOM 367 CB ASP A 25 13.944 7.086 1.185 1.00 0.00 C ATOM 368 CG ASP A 25 15.204 7.546 1.920 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.119 7.773 3.116 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.233 7.664 1.275 1.00 0.00 O ATOM 0 H ASP A 25 14.128 5.040 2.605 1.00 0.00 H new ATOM 0 HA ASP A 25 12.715 7.542 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.173 6.229 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.582 7.879 0.531 1.00 0.00 H new ATOM 375 N VAL A 26 10.444 6.675 2.104 1.00 0.00 N ATOM 376 CA VAL A 26 9.134 6.410 1.443 1.00 0.00 C ATOM 377 C VAL A 26 9.019 7.266 0.178 1.00 0.00 C ATOM 378 O VAL A 26 8.001 7.279 -0.484 1.00 0.00 O ATOM 379 CB VAL A 26 7.999 6.768 2.403 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.173 5.995 3.711 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.035 8.271 2.690 1.00 0.00 C ATOM 0 H VAL A 26 10.385 7.059 3.047 1.00 0.00 H new ATOM 0 HA VAL A 26 9.067 5.355 1.176 1.00 0.00 H new ATOM 0 HB VAL A 26 7.042 6.504 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.364 6.251 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.151 4.925 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.128 6.258 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.227 8.530 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.992 8.532 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.912 8.822 1.758 1.00 0.00 H new ATOM 391 N ASP A 27 10.060 7.976 -0.167 1.00 0.00 N ATOM 392 CA ASP A 27 10.015 8.822 -1.392 1.00 0.00 C ATOM 393 C ASP A 27 10.542 8.011 -2.577 1.00 0.00 C ATOM 394 O ASP A 27 10.750 8.528 -3.656 1.00 0.00 O ATOM 395 CB ASP A 27 10.888 10.062 -1.190 1.00 0.00 C ATOM 396 CG ASP A 27 10.276 10.947 -0.103 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.136 10.703 0.259 1.00 0.00 O ATOM 398 OD2 ASP A 27 10.956 11.854 0.348 1.00 0.00 O ATOM 0 H ASP A 27 10.940 8.006 0.348 1.00 0.00 H new ATOM 0 HA ASP A 27 8.989 9.134 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.898 9.766 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.969 10.619 -2.124 1.00 0.00 H new ATOM 403 N LEU A 28 10.760 6.740 -2.378 1.00 0.00 N ATOM 404 CA LEU A 28 11.276 5.883 -3.482 1.00 0.00 C ATOM 405 C LEU A 28 10.103 5.260 -4.230 1.00 0.00 C ATOM 406 O LEU A 28 9.183 4.733 -3.635 1.00 0.00 O ATOM 407 CB LEU A 28 12.145 4.769 -2.895 1.00 0.00 C ATOM 408 CG LEU A 28 12.801 3.966 -4.023 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.049 4.700 -4.521 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.198 2.585 -3.497 1.00 0.00 C ATOM 0 H LEU A 28 10.602 6.256 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 28 11.868 6.490 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.912 5.197 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.537 4.111 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 28 12.096 3.856 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.513 4.126 -5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.767 5.684 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.757 4.813 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.665 2.011 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.902 2.698 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.310 2.060 -3.145 1.00 0.00 H new ATOM 422 N ASP A 29 10.129 5.301 -5.532 1.00 0.00 N ATOM 423 CA ASP A 29 9.016 4.694 -6.303 1.00 0.00 C ATOM 424 C ASP A 29 9.039 3.185 -6.075 1.00 0.00 C ATOM 425 O ASP A 29 10.024 2.523 -6.337 1.00 0.00 O ATOM 426 CB ASP A 29 9.195 4.995 -7.793 1.00 0.00 C ATOM 427 CG ASP A 29 9.044 6.498 -8.032 1.00 0.00 C ATOM 428 OD1 ASP A 29 8.580 7.178 -7.131 1.00 0.00 O ATOM 429 OD2 ASP A 29 9.393 6.945 -9.112 1.00 0.00 O ATOM 0 H ASP A 29 10.869 5.726 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 29 8.063 5.108 -5.974 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.177 4.660 -8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.455 4.447 -8.377 1.00 0.00 H new ATOM 434 N LEU A 30 7.971 2.636 -5.574 1.00 0.00 N ATOM 435 CA LEU A 30 7.945 1.172 -5.314 1.00 0.00 C ATOM 436 C LEU A 30 7.805 0.413 -6.635 1.00 0.00 C ATOM 437 O LEU A 30 7.629 -0.789 -6.653 1.00 0.00 O ATOM 438 CB LEU A 30 6.761 0.837 -4.404 1.00 0.00 C ATOM 439 CG LEU A 30 5.481 1.415 -5.005 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.411 0.325 -5.077 1.00 0.00 C ATOM 441 CD2 LEU A 30 4.980 2.563 -4.127 1.00 0.00 C ATOM 0 H LEU A 30 7.116 3.137 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 30 8.875 0.877 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.668 -0.243 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.926 1.247 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 30 5.688 1.787 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.498 0.739 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.767 -0.494 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.204 -0.048 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.067 2.976 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.774 2.191 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.741 3.341 -4.076 1.00 0.00 H new ATOM 453 N VAL A 31 7.882 1.099 -7.744 1.00 0.00 N ATOM 454 CA VAL A 31 7.750 0.399 -9.052 1.00 0.00 C ATOM 455 C VAL A 31 8.744 -0.759 -9.098 1.00 0.00 C ATOM 456 O VAL A 31 8.433 -1.838 -9.561 1.00 0.00 O ATOM 457 CB VAL A 31 8.044 1.377 -10.191 1.00 0.00 C ATOM 458 CG1 VAL A 31 9.551 1.624 -10.279 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.548 0.784 -11.512 1.00 0.00 C ATOM 0 H VAL A 31 8.030 2.107 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 31 6.735 0.017 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 31 7.533 2.320 -9.999 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.759 2.321 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.906 2.046 -9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.064 0.681 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.757 1.480 -12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.059 -0.160 -11.702 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.474 0.609 -11.452 1.00 0.00 H new ATOM 469 N ASP A 32 9.929 -0.552 -8.599 1.00 0.00 N ATOM 470 CA ASP A 32 10.928 -1.655 -8.592 1.00 0.00 C ATOM 471 C ASP A 32 10.329 -2.826 -7.815 1.00 0.00 C ATOM 472 O ASP A 32 10.524 -3.979 -8.145 1.00 0.00 O ATOM 473 CB ASP A 32 12.214 -1.184 -7.908 1.00 0.00 C ATOM 474 CG ASP A 32 13.311 -2.231 -8.108 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.054 -3.207 -8.793 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.391 -2.038 -7.573 1.00 0.00 O ATOM 0 H ASP A 32 10.248 0.329 -8.197 1.00 0.00 H new ATOM 0 HA ASP A 32 11.167 -1.958 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.530 -0.227 -8.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.036 -1.027 -6.844 1.00 0.00 H new ATOM 481 N ASN A 33 9.585 -2.521 -6.789 1.00 0.00 N ATOM 482 CA ASN A 33 8.939 -3.584 -5.975 1.00 0.00 C ATOM 483 C ASN A 33 7.610 -3.959 -6.624 1.00 0.00 C ATOM 484 O ASN A 33 6.761 -4.577 -6.014 1.00 0.00 O ATOM 485 CB ASN A 33 8.688 -3.066 -4.565 1.00 0.00 C ATOM 486 CG ASN A 33 10.010 -2.615 -3.949 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.083 -1.437 -3.404 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 10.986 -3.338 -3.975 1.00 0.00 N flip ATOM 0 H ASN A 33 9.396 -1.568 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 33 9.588 -4.458 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.984 -2.235 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.237 -3.847 -3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.925 -4.262 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.866 -3.021 -3.568 1.00 0.00 H new ATOM 495 N GLY A 34 7.424 -3.572 -7.858 1.00 0.00 N ATOM 496 CA GLY A 34 6.152 -3.889 -8.564 1.00 0.00 C ATOM 497 C GLY A 34 5.748 -5.330 -8.260 1.00 0.00 C ATOM 498 O GLY A 34 4.626 -5.730 -8.484 1.00 0.00 O ATOM 0 H GLY A 34 8.103 -3.047 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.366 -3.204 -8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.276 -3.754 -9.638 1.00 0.00 H new ATOM 502 N VAL A 35 6.650 -6.111 -7.740 1.00 0.00 N ATOM 503 CA VAL A 35 6.302 -7.523 -7.415 1.00 0.00 C ATOM 504 C VAL A 35 5.026 -7.530 -6.571 1.00 0.00 C ATOM 505 O VAL A 35 4.191 -8.405 -6.689 1.00 0.00 O ATOM 506 CB VAL A 35 7.443 -8.161 -6.621 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.989 -9.514 -6.071 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.651 -8.364 -7.539 1.00 0.00 C ATOM 0 H VAL A 35 7.609 -5.837 -7.526 1.00 0.00 H new ATOM 0 HA VAL A 35 6.145 -8.089 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 35 7.719 -7.507 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.802 -9.968 -5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.128 -9.371 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.712 -10.168 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.465 -8.819 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.374 -9.018 -8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.976 -7.400 -7.931 1.00 0.00 H new ATOM 518 N ILE A 36 4.877 -6.556 -5.717 1.00 0.00 N ATOM 519 CA ILE A 36 3.666 -6.483 -4.850 1.00 0.00 C ATOM 520 C ILE A 36 2.436 -6.126 -5.691 1.00 0.00 C ATOM 521 O ILE A 36 1.313 -6.361 -5.298 1.00 0.00 O ATOM 522 CB ILE A 36 3.876 -5.385 -3.808 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.997 -5.663 -2.592 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.489 -4.034 -4.410 1.00 0.00 C ATOM 525 CD1 ILE A 36 3.120 -4.508 -1.598 1.00 0.00 C ATOM 0 H ILE A 36 5.548 -5.800 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 36 3.509 -7.449 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 36 4.923 -5.367 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.958 -5.782 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.298 -6.598 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.638 -3.249 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.111 -3.832 -5.282 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.441 -4.056 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.492 -4.707 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.158 -4.410 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.798 -3.582 -2.074 1.00 0.00 H new ATOM 537 N ASP A 37 2.643 -5.527 -6.826 1.00 0.00 N ATOM 538 CA ASP A 37 1.494 -5.110 -7.686 1.00 0.00 C ATOM 539 C ASP A 37 0.601 -6.301 -8.054 1.00 0.00 C ATOM 540 O ASP A 37 -0.590 -6.143 -8.234 1.00 0.00 O ATOM 541 CB ASP A 37 2.018 -4.467 -8.972 1.00 0.00 C ATOM 542 CG ASP A 37 2.776 -3.183 -8.630 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.625 -2.708 -7.516 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.494 -2.696 -9.487 1.00 0.00 O ATOM 0 H ASP A 37 3.565 -5.304 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 37 0.899 -4.395 -7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.675 -5.161 -9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.189 -4.244 -9.644 1.00 0.00 H new ATOM 549 N SER A 38 1.154 -7.478 -8.204 1.00 0.00 N ATOM 550 CA SER A 38 0.307 -8.647 -8.597 1.00 0.00 C ATOM 551 C SER A 38 0.235 -9.688 -7.476 1.00 0.00 C ATOM 552 O SER A 38 -0.821 -9.955 -6.937 1.00 0.00 O ATOM 553 CB SER A 38 0.897 -9.295 -9.849 1.00 0.00 C ATOM 554 OG SER A 38 1.140 -8.284 -10.834 1.00 0.00 O ATOM 0 H SER A 38 2.145 -7.680 -8.073 1.00 0.00 H new ATOM 0 HA SER A 38 -0.703 -8.287 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.826 -9.810 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.211 -10.045 -10.242 1.00 0.00 H new ATOM 0 HG SER A 38 1.520 -8.695 -11.638 1.00 0.00 H new ATOM 559 N LEU A 39 1.335 -10.298 -7.138 1.00 0.00 N ATOM 560 CA LEU A 39 1.304 -11.342 -6.074 1.00 0.00 C ATOM 561 C LEU A 39 0.938 -10.718 -4.729 1.00 0.00 C ATOM 562 O LEU A 39 0.045 -11.175 -4.043 1.00 0.00 O ATOM 563 CB LEU A 39 2.677 -12.006 -5.966 1.00 0.00 C ATOM 564 CG LEU A 39 2.851 -13.030 -7.093 1.00 0.00 C ATOM 565 CD1 LEU A 39 1.960 -14.248 -6.832 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.463 -12.394 -8.429 1.00 0.00 C ATOM 0 H LEU A 39 2.251 -10.121 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 39 0.553 -12.087 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.461 -11.251 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.778 -12.497 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 39 3.893 -13.347 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.088 -14.972 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.239 -14.707 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.917 -13.934 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.587 -13.124 -9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.422 -12.072 -8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.102 -11.532 -8.621 1.00 0.00 H new ATOM 578 N GLY A 40 1.619 -9.680 -4.348 1.00 0.00 N ATOM 579 CA GLY A 40 1.314 -9.026 -3.050 1.00 0.00 C ATOM 580 C GLY A 40 -0.028 -8.307 -3.138 1.00 0.00 C ATOM 581 O GLY A 40 -0.805 -8.300 -2.205 1.00 0.00 O ATOM 0 H GLY A 40 2.377 -9.254 -4.881 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.287 -9.771 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.101 -8.316 -2.796 1.00 0.00 H new ATOM 585 N LEU A 41 -0.303 -7.695 -4.255 1.00 0.00 N ATOM 586 CA LEU A 41 -1.592 -6.968 -4.403 1.00 0.00 C ATOM 587 C LEU A 41 -2.745 -7.944 -4.189 1.00 0.00 C ATOM 588 O LEU A 41 -3.730 -7.627 -3.553 1.00 0.00 O ATOM 589 CB LEU A 41 -1.676 -6.372 -5.808 1.00 0.00 C ATOM 590 CG LEU A 41 -2.923 -5.493 -5.929 1.00 0.00 C ATOM 591 CD1 LEU A 41 -2.610 -4.088 -5.410 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.347 -5.412 -7.396 1.00 0.00 C ATOM 0 H LEU A 41 0.309 -7.667 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.653 -6.167 -3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.783 -5.782 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.710 -7.170 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.731 -5.925 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.498 -3.462 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.307 -4.145 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.802 -3.654 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.235 -4.786 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.538 -4.979 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.570 -6.413 -7.766 1.00 0.00 H new ATOM 604 N LEU A 42 -2.630 -9.133 -4.709 1.00 0.00 N ATOM 605 CA LEU A 42 -3.723 -10.125 -4.524 1.00 0.00 C ATOM 606 C LEU A 42 -3.879 -10.409 -3.031 1.00 0.00 C ATOM 607 O LEU A 42 -4.975 -10.474 -2.511 1.00 0.00 O ATOM 608 CB LEU A 42 -3.370 -11.420 -5.261 1.00 0.00 C ATOM 609 CG LEU A 42 -4.563 -12.373 -5.223 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.510 -12.036 -6.370 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.071 -13.814 -5.372 1.00 0.00 C ATOM 0 H LEU A 42 -1.830 -9.460 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.656 -9.731 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.100 -11.200 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.502 -11.889 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.087 -12.268 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.364 -12.713 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.859 -11.009 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.985 -12.145 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.923 -14.494 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.549 -13.924 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.390 -14.052 -4.555 1.00 0.00 H new ATOM 623 N LYS A 43 -2.786 -10.566 -2.334 1.00 0.00 N ATOM 624 CA LYS A 43 -2.863 -10.830 -0.873 1.00 0.00 C ATOM 625 C LYS A 43 -3.476 -9.617 -0.172 1.00 0.00 C ATOM 626 O LYS A 43 -4.225 -9.745 0.776 1.00 0.00 O ATOM 627 CB LYS A 43 -1.458 -11.080 -0.333 1.00 0.00 C ATOM 628 CG LYS A 43 -0.887 -12.355 -0.956 1.00 0.00 C ATOM 629 CD LYS A 43 0.472 -12.668 -0.328 1.00 0.00 C ATOM 630 CE LYS A 43 1.098 -13.872 -1.034 1.00 0.00 C ATOM 631 NZ LYS A 43 1.652 -14.811 -0.018 1.00 0.00 N ATOM 0 H LYS A 43 -1.842 -10.522 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.484 -11.706 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.813 -10.231 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.486 -11.175 0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.572 -13.188 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.781 -12.229 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.130 -11.803 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.353 -12.878 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.350 -14.379 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.888 -13.541 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.078 -15.630 -0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.378 -14.324 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.888 -15.136 0.608 1.00 0.00 H new ATOM 645 N VAL A 44 -3.158 -8.438 -0.634 1.00 0.00 N ATOM 646 CA VAL A 44 -3.714 -7.207 0.000 1.00 0.00 C ATOM 647 C VAL A 44 -5.241 -7.224 -0.081 1.00 0.00 C ATOM 648 O VAL A 44 -5.927 -6.924 0.875 1.00 0.00 O ATOM 649 CB VAL A 44 -3.180 -5.982 -0.741 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.913 -4.731 -0.256 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.683 -5.838 -0.462 1.00 0.00 C ATOM 0 H VAL A 44 -2.536 -8.273 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.413 -7.170 1.047 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.343 -6.102 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.531 -3.858 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.980 -4.836 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.751 -4.606 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.297 -4.965 -0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.523 -5.716 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.161 -6.730 -0.808 1.00 0.00 H new ATOM 661 N ILE A 45 -5.779 -7.570 -1.214 1.00 0.00 N ATOM 662 CA ILE A 45 -7.259 -7.603 -1.354 1.00 0.00 C ATOM 663 C ILE A 45 -7.848 -8.596 -0.350 1.00 0.00 C ATOM 664 O ILE A 45 -8.786 -8.295 0.361 1.00 0.00 O ATOM 665 CB ILE A 45 -7.619 -8.035 -2.777 1.00 0.00 C ATOM 666 CG1 ILE A 45 -7.759 -6.800 -3.672 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.937 -8.804 -2.760 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.402 -6.107 -3.807 1.00 0.00 C ATOM 0 H ILE A 45 -5.257 -7.832 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.668 -6.612 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.829 -8.676 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.129 -7.091 -4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.489 -6.112 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.192 -9.111 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.835 -9.687 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.726 -8.164 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.504 -5.229 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.050 -5.802 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.684 -6.796 -4.251 1.00 0.00 H new ATOM 680 N ALA A 46 -7.308 -9.781 -0.293 1.00 0.00 N ATOM 681 CA ALA A 46 -7.837 -10.799 0.657 1.00 0.00 C ATOM 682 C ALA A 46 -7.642 -10.319 2.097 1.00 0.00 C ATOM 683 O ALA A 46 -8.508 -10.471 2.935 1.00 0.00 O ATOM 684 CB ALA A 46 -7.076 -12.109 0.456 1.00 0.00 C ATOM 0 H ALA A 46 -6.521 -10.089 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.900 -10.951 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.457 -12.861 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.213 -12.456 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.015 -11.946 0.645 1.00 0.00 H new ATOM 690 N TRP A 47 -6.510 -9.745 2.388 1.00 0.00 N ATOM 691 CA TRP A 47 -6.253 -9.256 3.771 1.00 0.00 C ATOM 692 C TRP A 47 -7.152 -8.058 4.072 1.00 0.00 C ATOM 693 O TRP A 47 -7.661 -7.909 5.166 1.00 0.00 O ATOM 694 CB TRP A 47 -4.783 -8.849 3.888 1.00 0.00 C ATOM 695 CG TRP A 47 -4.636 -7.757 4.896 1.00 0.00 C ATOM 696 CD1 TRP A 47 -4.559 -7.934 6.235 1.00 0.00 C ATOM 697 CD2 TRP A 47 -4.540 -6.324 4.666 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.420 -6.697 6.840 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.404 -5.674 5.914 1.00 0.00 C ATOM 700 CE3 TRP A 47 -4.558 -5.533 3.505 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -4.288 -4.286 6.005 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.442 -4.138 3.592 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.308 -3.517 4.838 1.00 0.00 C ATOM 0 H TRP A 47 -5.749 -9.593 1.726 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.472 -10.047 4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.181 -9.709 4.181 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.411 -8.514 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.599 -8.884 6.747 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.339 -6.558 7.847 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.662 -6.003 2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.184 -3.810 6.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.456 -3.540 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.220 -2.442 4.898 1.00 0.00 H new ATOM 714 N LEU A 48 -7.346 -7.197 3.113 1.00 0.00 N ATOM 715 CA LEU A 48 -8.204 -6.004 3.342 1.00 0.00 C ATOM 716 C LEU A 48 -9.632 -6.445 3.674 1.00 0.00 C ATOM 717 O LEU A 48 -10.260 -5.922 4.574 1.00 0.00 O ATOM 718 CB LEU A 48 -8.217 -5.154 2.070 1.00 0.00 C ATOM 719 CG LEU A 48 -8.907 -3.824 2.345 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.978 -2.923 3.155 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.242 -3.147 1.015 1.00 0.00 C ATOM 0 H LEU A 48 -6.946 -7.269 2.178 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.809 -5.424 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.197 -4.981 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.736 -5.685 1.272 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.823 -3.998 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.473 -1.972 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.735 -3.407 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.061 -2.746 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.736 -2.194 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.324 -2.973 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.905 -3.790 0.436 1.00 0.00 H new ATOM 733 N GLU A 49 -10.151 -7.406 2.958 1.00 0.00 N ATOM 734 CA GLU A 49 -11.537 -7.879 3.237 1.00 0.00 C ATOM 735 C GLU A 49 -11.593 -8.567 4.601 1.00 0.00 C ATOM 736 O GLU A 49 -12.559 -8.449 5.325 1.00 0.00 O ATOM 737 CB GLU A 49 -11.973 -8.859 2.140 1.00 0.00 C ATOM 738 CG GLU A 49 -13.344 -9.446 2.476 1.00 0.00 C ATOM 739 CD GLU A 49 -13.778 -10.401 1.363 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.000 -10.600 0.444 1.00 0.00 O ATOM 741 OE2 GLU A 49 -14.880 -10.916 1.448 1.00 0.00 O ATOM 0 H GLU A 49 -9.675 -7.884 2.192 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.212 -7.023 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.014 -8.347 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.239 -9.659 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.301 -9.976 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.076 -8.646 2.589 1.00 0.00 H new ATOM 748 N ASP A 50 -10.574 -9.291 4.958 1.00 0.00 N ATOM 749 CA ASP A 50 -10.591 -9.989 6.272 1.00 0.00 C ATOM 750 C ASP A 50 -10.750 -8.974 7.405 1.00 0.00 C ATOM 751 O ASP A 50 -11.412 -9.232 8.391 1.00 0.00 O ATOM 752 CB ASP A 50 -9.282 -10.755 6.456 1.00 0.00 C ATOM 753 CG ASP A 50 -9.389 -11.661 7.684 1.00 0.00 C ATOM 754 OD1 ASP A 50 -10.466 -11.732 8.252 1.00 0.00 O ATOM 755 OD2 ASP A 50 -8.391 -12.269 8.036 1.00 0.00 O ATOM 0 H ASP A 50 -9.732 -9.431 4.400 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.431 -10.683 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.069 -11.351 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.454 -10.057 6.577 1.00 0.00 H new ATOM 760 N ARG A 51 -10.133 -7.833 7.287 1.00 0.00 N ATOM 761 CA ARG A 51 -10.234 -6.818 8.372 1.00 0.00 C ATOM 762 C ARG A 51 -11.478 -5.934 8.214 1.00 0.00 C ATOM 763 O ARG A 51 -12.141 -5.624 9.184 1.00 0.00 O ATOM 764 CB ARG A 51 -8.985 -5.940 8.350 1.00 0.00 C ATOM 765 CG ARG A 51 -7.778 -6.758 8.811 1.00 0.00 C ATOM 766 CD ARG A 51 -6.562 -5.843 8.951 1.00 0.00 C ATOM 767 NE ARG A 51 -5.364 -6.659 9.295 1.00 0.00 N ATOM 768 CZ ARG A 51 -4.354 -6.108 9.910 1.00 0.00 C ATOM 769 NH1 ARG A 51 -4.392 -4.841 10.222 1.00 0.00 N ATOM 770 NH2 ARG A 51 -3.306 -6.823 10.213 1.00 0.00 N ATOM 0 H ARG A 51 -9.563 -7.559 6.487 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.318 -7.345 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.815 -5.556 7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.123 -5.077 9.001 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.995 -7.240 9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.568 -7.551 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.392 -5.302 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.742 -5.097 9.725 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.333 -7.649 9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.211 -4.282 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.602 -4.410 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.276 -7.813 9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.516 -6.392 10.694 1.00 0.00 H new ATOM 784 N PHE A 52 -11.788 -5.493 7.021 1.00 0.00 N ATOM 785 CA PHE A 52 -12.968 -4.600 6.851 1.00 0.00 C ATOM 786 C PHE A 52 -14.154 -5.358 6.244 1.00 0.00 C ATOM 787 O PHE A 52 -15.250 -4.839 6.167 1.00 0.00 O ATOM 788 CB PHE A 52 -12.574 -3.446 5.932 1.00 0.00 C ATOM 789 CG PHE A 52 -11.520 -2.602 6.608 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.899 -1.595 7.503 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.165 -2.827 6.340 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.922 -0.812 8.130 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.188 -2.045 6.967 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.566 -1.037 7.862 1.00 0.00 C ATOM 0 H PHE A 52 -11.278 -5.712 6.165 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.274 -4.226 7.828 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.194 -3.833 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.448 -2.838 5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.945 -1.422 7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.873 -3.604 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.214 -0.035 8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.142 -2.219 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.812 -0.433 8.345 1.00 0.00 H new ATOM 804 N GLY A 53 -13.960 -6.573 5.814 1.00 0.00 N ATOM 805 CA GLY A 53 -15.101 -7.331 5.223 1.00 0.00 C ATOM 806 C GLY A 53 -15.511 -6.682 3.899 1.00 0.00 C ATOM 807 O GLY A 53 -16.661 -6.723 3.508 1.00 0.00 O ATOM 0 H GLY A 53 -13.071 -7.071 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.815 -8.370 5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.944 -7.338 5.914 1.00 0.00 H new ATOM 811 N ILE A 54 -14.583 -6.076 3.209 1.00 0.00 N ATOM 812 CA ILE A 54 -14.930 -5.417 1.914 1.00 0.00 C ATOM 813 C ILE A 54 -14.845 -6.431 0.771 1.00 0.00 C ATOM 814 O ILE A 54 -14.012 -7.310 0.764 1.00 0.00 O ATOM 815 CB ILE A 54 -13.960 -4.267 1.650 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.092 -3.231 2.766 1.00 0.00 C ATOM 817 CG2 ILE A 54 -14.293 -3.614 0.307 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.950 -2.219 2.664 1.00 0.00 C ATOM 0 H ILE A 54 -13.603 -6.008 3.483 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.947 -5.030 1.972 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.940 -4.649 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.052 -2.720 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.069 -3.724 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.600 -2.794 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.204 -4.353 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.313 -3.229 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.046 -1.481 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.996 -2.736 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.994 -1.717 1.697 1.00 0.00 H new ATOM 830 N ALA A 55 -15.705 -6.310 -0.200 1.00 0.00 N ATOM 831 CA ALA A 55 -15.682 -7.263 -1.343 1.00 0.00 C ATOM 832 C ALA A 55 -14.337 -7.161 -2.059 1.00 0.00 C ATOM 833 O ALA A 55 -13.684 -6.136 -2.031 1.00 0.00 O ATOM 834 CB ALA A 55 -16.808 -6.917 -2.320 1.00 0.00 C ATOM 0 H ALA A 55 -16.425 -5.590 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.823 -8.279 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.791 -7.615 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.768 -6.987 -1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.668 -5.902 -2.691 1.00 0.00 H new ATOM 840 N ALA A 56 -13.908 -8.220 -2.687 1.00 0.00 N ATOM 841 CA ALA A 56 -12.596 -8.184 -3.387 1.00 0.00 C ATOM 842 C ALA A 56 -12.587 -7.052 -4.413 1.00 0.00 C ATOM 843 O ALA A 56 -11.596 -6.370 -4.585 1.00 0.00 O ATOM 844 CB ALA A 56 -12.360 -9.519 -4.097 1.00 0.00 C ATOM 0 H ALA A 56 -14.409 -9.107 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.804 -8.013 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.399 -9.493 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.359 -10.326 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.155 -9.690 -4.823 1.00 0.00 H new ATOM 850 N ASP A 57 -13.677 -6.840 -5.096 1.00 0.00 N ATOM 851 CA ASP A 57 -13.711 -5.745 -6.104 1.00 0.00 C ATOM 852 C ASP A 57 -12.507 -5.890 -7.035 1.00 0.00 C ATOM 853 O ASP A 57 -11.768 -4.952 -7.260 1.00 0.00 O ATOM 854 CB ASP A 57 -13.651 -4.394 -5.395 1.00 0.00 C ATOM 855 CG ASP A 57 -14.916 -4.200 -4.557 1.00 0.00 C ATOM 856 OD1 ASP A 57 -15.857 -4.950 -4.757 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.922 -3.304 -3.728 1.00 0.00 O ATOM 0 H ASP A 57 -14.541 -7.374 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.633 -5.804 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.769 -4.345 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.560 -3.591 -6.127 1.00 0.00 H new ATOM 862 N ASP A 58 -12.293 -7.062 -7.565 1.00 0.00 N ATOM 863 CA ASP A 58 -11.125 -7.269 -8.464 1.00 0.00 C ATOM 864 C ASP A 58 -11.370 -6.578 -9.806 1.00 0.00 C ATOM 865 O ASP A 58 -12.267 -6.929 -10.547 1.00 0.00 O ATOM 866 CB ASP A 58 -10.920 -8.765 -8.694 1.00 0.00 C ATOM 867 CG ASP A 58 -9.641 -8.988 -9.504 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.944 -8.017 -9.752 1.00 0.00 O ATOM 869 OD2 ASP A 58 -9.380 -10.124 -9.862 1.00 0.00 O ATOM 0 H ASP A 58 -12.877 -7.885 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.236 -6.843 -7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.853 -9.285 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.776 -9.183 -9.224 1.00 0.00 H new ATOM 874 N VAL A 59 -10.567 -5.600 -10.123 1.00 0.00 N ATOM 875 CA VAL A 59 -10.728 -4.876 -11.414 1.00 0.00 C ATOM 876 C VAL A 59 -9.360 -4.765 -12.087 1.00 0.00 C ATOM 877 O VAL A 59 -8.372 -5.258 -11.580 1.00 0.00 O ATOM 878 CB VAL A 59 -11.286 -3.478 -11.154 1.00 0.00 C ATOM 879 CG1 VAL A 59 -12.253 -3.095 -12.276 1.00 0.00 C ATOM 880 CG2 VAL A 59 -12.029 -3.466 -9.816 1.00 0.00 C ATOM 0 H VAL A 59 -9.800 -5.269 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.418 -5.419 -12.060 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.465 -2.761 -11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.650 -2.097 -12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.725 -3.103 -13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.073 -3.812 -12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.427 -2.469 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.849 -4.184 -9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.341 -3.737 -9.015 1.00 0.00 H new ATOM 890 N GLU A 60 -9.284 -4.127 -13.222 1.00 0.00 N ATOM 891 CA GLU A 60 -7.965 -4.001 -13.902 1.00 0.00 C ATOM 892 C GLU A 60 -7.223 -2.778 -13.365 1.00 0.00 C ATOM 893 O GLU A 60 -7.724 -1.671 -13.395 1.00 0.00 O ATOM 894 CB GLU A 60 -8.172 -3.849 -15.408 1.00 0.00 C ATOM 895 CG GLU A 60 -6.814 -3.787 -16.095 1.00 0.00 C ATOM 896 CD GLU A 60 -7.006 -3.624 -17.604 1.00 0.00 C ATOM 897 OE1 GLU A 60 -8.146 -3.527 -18.029 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.011 -3.599 -18.308 1.00 0.00 O ATOM 0 H GLU A 60 -10.070 -3.691 -13.704 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.376 -4.897 -13.707 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.751 -4.688 -15.794 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.742 -2.944 -15.620 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.234 -2.953 -15.700 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.249 -4.695 -15.887 1.00 0.00 H new ATOM 905 N LEU A 61 -6.029 -2.975 -12.875 1.00 0.00 N ATOM 906 CA LEU A 61 -5.238 -1.838 -12.331 1.00 0.00 C ATOM 907 C LEU A 61 -4.010 -1.609 -13.213 1.00 0.00 C ATOM 908 O LEU A 61 -3.451 -2.537 -13.764 1.00 0.00 O ATOM 909 CB LEU A 61 -4.793 -2.168 -10.905 1.00 0.00 C ATOM 910 CG LEU A 61 -6.003 -2.608 -10.085 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.598 -2.767 -8.620 1.00 0.00 C ATOM 912 CD2 LEU A 61 -7.108 -1.556 -10.198 1.00 0.00 C ATOM 0 H LEU A 61 -5.566 -3.882 -12.829 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.849 -0.936 -12.320 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.043 -2.959 -10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.327 -1.296 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.370 -3.561 -10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.463 -3.081 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.813 -3.519 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.229 -1.815 -8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.972 -1.871 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.742 -0.602 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.399 -1.445 -11.243 1.00 0.00 H new ATOM 924 N SER A 62 -3.585 -0.382 -13.354 1.00 0.00 N ATOM 925 CA SER A 62 -2.393 -0.100 -14.202 1.00 0.00 C ATOM 926 C SER A 62 -1.183 0.187 -13.307 1.00 0.00 C ATOM 927 O SER A 62 -1.326 0.624 -12.182 1.00 0.00 O ATOM 928 CB SER A 62 -2.674 1.117 -15.084 1.00 0.00 C ATOM 929 OG SER A 62 -3.865 1.753 -14.641 1.00 0.00 O ATOM 0 H SER A 62 -4.012 0.436 -12.919 1.00 0.00 H new ATOM 0 HA SER A 62 -2.181 -0.965 -14.830 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.837 1.814 -15.039 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.777 0.810 -16.125 1.00 0.00 H new ATOM 0 HG SER A 62 -4.047 2.535 -15.203 1.00 0.00 H new ATOM 935 N PRO A 63 0.002 -0.058 -13.805 1.00 0.00 N ATOM 936 CA PRO A 63 1.263 0.178 -13.041 1.00 0.00 C ATOM 937 C PRO A 63 1.453 1.655 -12.681 1.00 0.00 C ATOM 938 O PRO A 63 2.177 1.995 -11.766 1.00 0.00 O ATOM 939 CB PRO A 63 2.374 -0.289 -13.988 1.00 0.00 C ATOM 940 CG PRO A 63 1.762 -0.324 -15.349 1.00 0.00 C ATOM 941 CD PRO A 63 0.272 -0.581 -15.151 1.00 0.00 C ATOM 0 HA PRO A 63 1.258 -0.355 -12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.224 0.393 -13.959 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.744 -1.273 -13.701 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.926 0.618 -15.872 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.213 -1.109 -15.956 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.326 -0.070 -15.906 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.036 -1.643 -15.222 1.00 0.00 H new ATOM 949 N GLU A 64 0.812 2.535 -13.401 1.00 0.00 N ATOM 950 CA GLU A 64 0.957 3.990 -13.111 1.00 0.00 C ATOM 951 C GLU A 64 0.467 4.289 -11.691 1.00 0.00 C ATOM 952 O GLU A 64 0.956 5.180 -11.026 1.00 0.00 O ATOM 953 CB GLU A 64 0.123 4.788 -14.111 1.00 0.00 C ATOM 954 CG GLU A 64 0.678 4.587 -15.517 1.00 0.00 C ATOM 955 CD GLU A 64 -0.113 5.442 -16.508 1.00 0.00 C ATOM 956 OE1 GLU A 64 -1.124 5.996 -16.108 1.00 0.00 O ATOM 957 OE2 GLU A 64 0.306 5.529 -17.651 1.00 0.00 O ATOM 0 H GLU A 64 0.193 2.308 -14.179 1.00 0.00 H new ATOM 0 HA GLU A 64 2.007 4.271 -13.196 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.918 4.466 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.139 5.846 -13.851 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.733 4.861 -15.545 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.615 3.535 -15.797 1.00 0.00 H new ATOM 964 N HIS A 65 -0.510 3.557 -11.232 1.00 0.00 N ATOM 965 CA HIS A 65 -1.061 3.794 -9.864 1.00 0.00 C ATOM 966 C HIS A 65 -0.052 3.392 -8.780 1.00 0.00 C ATOM 967 O HIS A 65 -0.097 3.890 -7.673 1.00 0.00 O ATOM 968 CB HIS A 65 -2.335 2.966 -9.692 1.00 0.00 C ATOM 969 CG HIS A 65 -2.887 3.174 -8.309 1.00 0.00 C ATOM 970 ND1 HIS A 65 -3.584 4.321 -7.953 1.00 0.00 N ATOM 971 CD2 HIS A 65 -2.853 2.390 -7.182 1.00 0.00 C ATOM 972 CE1 HIS A 65 -3.938 4.195 -6.660 1.00 0.00 C ATOM 973 NE2 HIS A 65 -3.516 3.038 -6.147 1.00 0.00 N ATOM 0 H HIS A 65 -0.955 2.798 -11.749 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.275 4.857 -9.757 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.074 3.258 -10.438 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.119 1.910 -9.854 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.790 5.114 -8.560 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.384 1.420 -7.111 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.494 4.938 -6.107 1.00 0.00 H new ATOM 982 N PHE A 66 0.834 2.479 -9.066 1.00 0.00 N ATOM 983 CA PHE A 66 1.807 2.037 -8.021 1.00 0.00 C ATOM 984 C PHE A 66 3.140 2.781 -8.161 1.00 0.00 C ATOM 985 O PHE A 66 4.115 2.436 -7.527 1.00 0.00 O ATOM 986 CB PHE A 66 2.045 0.534 -8.165 1.00 0.00 C ATOM 987 CG PHE A 66 0.735 -0.195 -7.990 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.294 -0.548 -6.708 1.00 0.00 C ATOM 989 CD2 PHE A 66 -0.041 -0.514 -9.110 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.923 -1.221 -6.549 1.00 0.00 C ATOM 991 CE2 PHE A 66 -1.258 -1.186 -8.950 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.700 -1.539 -7.670 1.00 0.00 C ATOM 0 H PHE A 66 0.929 2.020 -9.972 1.00 0.00 H new ATOM 0 HA PHE A 66 1.391 2.262 -7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.470 0.313 -9.144 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.766 0.195 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.892 -0.301 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.299 -0.242 -10.098 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.263 -1.495 -5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.856 -1.432 -9.815 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.640 -2.056 -7.547 1.00 0.00 H new ATOM 1002 N ARG A 67 3.199 3.789 -8.983 1.00 0.00 N ATOM 1003 CA ARG A 67 4.483 4.533 -9.150 1.00 0.00 C ATOM 1004 C ARG A 67 4.935 5.120 -7.809 1.00 0.00 C ATOM 1005 O ARG A 67 6.115 5.181 -7.523 1.00 0.00 O ATOM 1006 CB ARG A 67 4.286 5.663 -10.160 1.00 0.00 C ATOM 1007 CG ARG A 67 3.904 5.070 -11.514 1.00 0.00 C ATOM 1008 CD ARG A 67 5.157 4.574 -12.243 1.00 0.00 C ATOM 1009 NE ARG A 67 4.801 4.208 -13.643 1.00 0.00 N ATOM 1010 CZ ARG A 67 5.733 3.843 -14.480 1.00 0.00 C ATOM 1011 NH1 ARG A 67 6.978 3.797 -14.091 1.00 0.00 N ATOM 1012 NH2 ARG A 67 5.421 3.523 -15.706 1.00 0.00 N ATOM 0 H ARG A 67 2.420 4.131 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 67 5.248 3.845 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.507 6.343 -9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.201 6.248 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.205 4.246 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.395 5.821 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.923 5.349 -12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.575 3.711 -11.725 1.00 0.00 H new ATOM 0 HE ARG A 67 3.828 4.243 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.222 4.046 -13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.707 3.512 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.448 3.558 -16.010 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.150 3.238 -16.360 1.00 0.00 H new ATOM 1026 N SER A 68 4.018 5.559 -6.988 1.00 0.00 N ATOM 1027 CA SER A 68 4.418 6.146 -5.675 1.00 0.00 C ATOM 1028 C SER A 68 3.522 5.601 -4.560 1.00 0.00 C ATOM 1029 O SER A 68 2.391 5.220 -4.786 1.00 0.00 O ATOM 1030 CB SER A 68 4.279 7.668 -5.737 1.00 0.00 C ATOM 1031 OG SER A 68 2.905 8.009 -5.864 1.00 0.00 O ATOM 0 H SER A 68 3.014 5.537 -7.168 1.00 0.00 H new ATOM 0 HA SER A 68 5.453 5.877 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.696 8.120 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.843 8.062 -6.582 1.00 0.00 H new ATOM 0 HG SER A 68 2.812 8.984 -5.903 1.00 0.00 H new ATOM 1037 N ILE A 69 4.024 5.565 -3.354 1.00 0.00 N ATOM 1038 CA ILE A 69 3.218 5.054 -2.217 1.00 0.00 C ATOM 1039 C ILE A 69 1.984 5.938 -2.017 1.00 0.00 C ATOM 1040 O ILE A 69 0.919 5.465 -1.671 1.00 0.00 O ATOM 1041 CB ILE A 69 4.071 5.086 -0.949 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.318 4.233 -1.145 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.271 4.525 0.212 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.238 4.386 0.068 1.00 0.00 C ATOM 0 H ILE A 69 4.966 5.871 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 69 2.898 4.033 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 69 4.360 6.116 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.039 3.187 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.841 4.537 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.878 4.547 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.375 5.128 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.984 3.497 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.130 3.776 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.527 5.431 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.713 4.060 0.966 1.00 0.00 H new ATOM 1056 N ARG A 70 2.121 7.220 -2.219 1.00 0.00 N ATOM 1057 CA ARG A 70 0.961 8.135 -2.025 1.00 0.00 C ATOM 1058 C ARG A 70 -0.171 7.752 -2.981 1.00 0.00 C ATOM 1059 O ARG A 70 -1.333 7.812 -2.632 1.00 0.00 O ATOM 1060 CB ARG A 70 1.396 9.574 -2.306 1.00 0.00 C ATOM 1061 CG ARG A 70 2.442 10.002 -1.275 1.00 0.00 C ATOM 1062 CD ARG A 70 2.787 11.478 -1.479 1.00 0.00 C ATOM 1063 NE ARG A 70 3.260 11.688 -2.876 1.00 0.00 N ATOM 1064 CZ ARG A 70 3.960 12.747 -3.176 1.00 0.00 C ATOM 1065 NH1 ARG A 70 4.245 13.625 -2.252 1.00 0.00 N ATOM 1066 NH2 ARG A 70 4.376 12.930 -4.399 1.00 0.00 N ATOM 0 H ARG A 70 2.987 7.673 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 70 0.607 8.051 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.809 9.650 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.534 10.240 -2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.060 9.843 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.339 9.391 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.912 12.098 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.559 11.783 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 70 3.036 11.003 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.920 13.483 -1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.792 14.453 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.154 12.245 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.923 13.758 -4.633 1.00 0.00 H new ATOM 1080 N SER A 71 0.152 7.356 -4.181 1.00 0.00 N ATOM 1081 CA SER A 71 -0.915 6.972 -5.142 1.00 0.00 C ATOM 1082 C SER A 71 -1.726 5.812 -4.561 1.00 0.00 C ATOM 1083 O SER A 71 -2.937 5.774 -4.660 1.00 0.00 O ATOM 1084 CB SER A 71 -0.270 6.540 -6.457 1.00 0.00 C ATOM 1085 OG SER A 71 0.552 7.593 -6.945 1.00 0.00 O ATOM 0 H SER A 71 1.106 7.282 -4.535 1.00 0.00 H new ATOM 0 HA SER A 71 -1.576 7.820 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.325 5.639 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.039 6.294 -7.189 1.00 0.00 H new ATOM 0 HG SER A 71 1.447 7.518 -6.553 1.00 0.00 H new ATOM 1091 N ILE A 72 -1.067 4.870 -3.943 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.789 3.721 -3.346 1.00 0.00 C ATOM 1093 C ILE A 72 -2.734 4.231 -2.259 1.00 0.00 C ATOM 1094 O ILE A 72 -3.840 3.751 -2.105 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.772 2.760 -2.735 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.184 2.268 -3.824 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.505 1.570 -2.127 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.282 1.412 -3.191 1.00 0.00 C ATOM 0 H ILE A 72 -0.054 4.851 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.367 3.203 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.204 3.274 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.362 1.687 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.626 3.117 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.782 0.882 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.187 1.920 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.071 1.056 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.963 1.062 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.835 2.008 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.832 0.555 -2.689 1.00 0.00 H new ATOM 1110 N ASP A 73 -2.305 5.204 -1.504 1.00 0.00 N ATOM 1111 CA ASP A 73 -3.169 5.751 -0.427 1.00 0.00 C ATOM 1112 C ASP A 73 -4.480 6.252 -1.035 1.00 0.00 C ATOM 1113 O ASP A 73 -5.538 6.111 -0.455 1.00 0.00 O ATOM 1114 CB ASP A 73 -2.446 6.911 0.255 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.209 6.384 0.985 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.069 5.176 1.076 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.423 7.198 1.442 1.00 0.00 O ATOM 0 H ASP A 73 -1.389 5.644 -1.589 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.383 4.973 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.155 7.657 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.114 7.406 0.960 1.00 0.00 H new ATOM 1122 N ALA A 74 -4.419 6.835 -2.201 1.00 0.00 N ATOM 1123 CA ALA A 74 -5.663 7.344 -2.842 1.00 0.00 C ATOM 1124 C ALA A 74 -6.622 6.179 -3.083 1.00 0.00 C ATOM 1125 O ALA A 74 -7.814 6.291 -2.875 1.00 0.00 O ATOM 1126 CB ALA A 74 -5.316 8.004 -4.178 1.00 0.00 C ATOM 0 H ALA A 74 -3.563 6.980 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.136 8.077 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.227 8.377 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.630 8.834 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.843 7.272 -4.833 1.00 0.00 H new ATOM 1132 N PHE A 75 -6.113 5.058 -3.513 1.00 0.00 N ATOM 1133 CA PHE A 75 -7.004 3.889 -3.756 1.00 0.00 C ATOM 1134 C PHE A 75 -7.664 3.473 -2.442 1.00 0.00 C ATOM 1135 O PHE A 75 -8.856 3.244 -2.377 1.00 0.00 O ATOM 1136 CB PHE A 75 -6.184 2.723 -4.303 1.00 0.00 C ATOM 1137 CG PHE A 75 -7.104 1.578 -4.653 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -7.733 1.544 -5.904 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.328 0.552 -3.728 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -8.586 0.482 -6.229 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.182 -0.509 -4.053 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.811 -0.544 -5.304 1.00 0.00 C ATOM 0 H PHE A 75 -5.124 4.901 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.771 4.163 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.628 3.039 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.452 2.401 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.560 2.336 -6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.842 0.579 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.070 0.455 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.356 -1.300 -3.339 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.469 -1.362 -5.555 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.897 3.376 -1.391 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.470 2.979 -0.080 1.00 0.00 C ATOM 1154 C VAL A 76 -8.448 4.054 0.399 1.00 0.00 C ATOM 1155 O VAL A 76 -9.501 3.758 0.927 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.337 2.827 0.933 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.927 2.644 2.326 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.492 1.603 0.572 1.00 0.00 C ATOM 0 H VAL A 76 -5.893 3.556 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.001 2.033 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.710 3.719 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.121 2.535 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.531 3.514 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.552 1.751 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.683 1.493 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.118 0.711 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.073 1.732 -0.426 1.00 0.00 H new ATOM 1168 N VAL A 77 -8.106 5.300 0.220 1.00 0.00 N ATOM 1169 CA VAL A 77 -9.008 6.393 0.662 1.00 0.00 C ATOM 1170 C VAL A 77 -10.339 6.295 -0.085 1.00 0.00 C ATOM 1171 O VAL A 77 -11.397 6.486 0.480 1.00 0.00 O ATOM 1172 CB VAL A 77 -8.349 7.734 0.347 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -9.348 8.858 0.594 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -7.127 7.930 1.248 1.00 0.00 C ATOM 0 H VAL A 77 -7.236 5.606 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.190 6.309 1.733 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.034 7.748 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.880 9.817 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.218 8.720 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.662 8.843 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.658 8.888 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.439 7.917 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.413 7.126 1.072 1.00 0.00 H new ATOM 1184 N GLY A 78 -10.292 6.006 -1.356 1.00 0.00 N ATOM 1185 CA GLY A 78 -11.550 5.903 -2.148 1.00 0.00 C ATOM 1186 C GLY A 78 -12.470 4.837 -1.548 1.00 0.00 C ATOM 1187 O GLY A 78 -13.677 4.980 -1.547 1.00 0.00 O ATOM 0 H GLY A 78 -9.435 5.836 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.059 6.867 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.317 5.651 -3.183 1.00 0.00 H new ATOM 1191 N ALA A 79 -11.920 3.764 -1.047 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.783 2.696 -0.466 1.00 0.00 C ATOM 1193 C ALA A 79 -12.883 2.864 1.051 1.00 0.00 C ATOM 1194 O ALA A 79 -13.960 2.861 1.615 1.00 0.00 O ATOM 1195 CB ALA A 79 -12.180 1.326 -0.786 1.00 0.00 C ATOM 0 H ALA A 79 -10.917 3.581 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.781 2.772 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.809 0.543 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.120 1.198 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.180 1.259 -0.357 1.00 0.00 H new ATOM 1201 N THR A 80 -11.770 3.009 1.715 1.00 0.00 N ATOM 1202 CA THR A 80 -11.796 3.177 3.197 1.00 0.00 C ATOM 1203 C THR A 80 -10.945 4.385 3.586 1.00 0.00 C ATOM 1204 O THR A 80 -9.869 4.589 3.061 1.00 0.00 O ATOM 1205 CB THR A 80 -11.232 1.922 3.861 1.00 0.00 C ATOM 1206 OG1 THR A 80 -11.950 0.783 3.407 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.366 2.041 5.380 1.00 0.00 C ATOM 0 H THR A 80 -10.841 3.019 1.295 1.00 0.00 H new ATOM 0 HA THR A 80 -12.823 3.333 3.528 1.00 0.00 H new ATOM 0 HB THR A 80 -10.179 1.815 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.415 -0.024 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.963 1.145 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.813 2.914 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.418 2.149 5.645 1.00 0.00 H new ATOM 1215 N THR A 81 -11.417 5.186 4.504 1.00 0.00 N ATOM 1216 CA THR A 81 -10.635 6.379 4.926 1.00 0.00 C ATOM 1217 C THR A 81 -10.542 6.424 6.456 1.00 0.00 C ATOM 1218 O THR A 81 -11.357 7.042 7.113 1.00 0.00 O ATOM 1219 CB THR A 81 -11.336 7.643 4.424 1.00 0.00 C ATOM 1220 OG1 THR A 81 -10.797 8.778 5.087 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.835 7.544 4.711 1.00 0.00 C ATOM 0 H THR A 81 -12.311 5.063 4.979 1.00 0.00 H new ATOM 0 HA THR A 81 -9.631 6.321 4.506 1.00 0.00 H new ATOM 0 HB THR A 81 -11.180 7.744 3.350 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.327 9.571 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.334 8.445 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.247 6.674 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.994 7.443 5.785 1.00 0.00 H new