USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Set 1.1: A 72 MET CE :methyl -164:sc= -0.516 (180deg=-0.921) USER MOD Set 1.2: A 75 MET CE :methyl -175:sc= -0.0466 (180deg=-0.111) USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.0117 (180deg=0) USER MOD Single : A 1 SER OG : rot 169:sc= 1.2 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 8 THR OG1 : rot -115:sc= 1.35 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -90:sc= 0.486 USER MOD Single : A 18 ASN : amide:sc= 0.00397 K(o=0.004,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.4!) USER MOD Single : A 34 THR OG1 : rot -166:sc= 1.21 USER MOD Single : A 36 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.9!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc= -0.189 (180deg=-0.466) USER MOD Single : A 66 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00617 K(o=-0.0062,f=-0.72) USER MOD Single : A 74 ASN : amide:sc= -0.687 K(o=-0.69,f=-7.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -2:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot 133:sc= 1.32 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 107 HEC O2D : rot 177:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.752 4.827 7.726 1.00 2.78 N ATOM 2 CA SER A 1 14.104 4.955 6.411 1.00 2.92 C ATOM 3 C SER A 1 12.670 5.515 6.533 1.00 2.14 C ATOM 4 O SER A 1 12.421 6.376 7.377 1.00 2.88 O ATOM 5 CB SER A 1 14.210 3.617 5.658 1.00 3.97 C ATOM 6 OG SER A 1 15.572 3.291 5.445 1.00 5.09 O ATOM 0 H1 SER A 1 15.729 5.180 7.668 1.00 2.78 H new ATOM 0 H2 SER A 1 14.224 5.383 8.429 1.00 2.78 H new ATOM 0 H3 SER A 1 14.762 3.827 8.012 1.00 2.78 H new ATOM 0 HA SER A 1 14.628 5.696 5.807 1.00 2.92 H new ATOM 0 HB2 SER A 1 13.723 2.828 6.231 1.00 3.97 H new ATOM 0 HB3 SER A 1 13.689 3.685 4.703 1.00 3.97 H new ATOM 0 HG SER A 1 15.641 2.368 5.124 1.00 5.09 H new ATOM 12 N GLY A 2 11.704 5.034 5.741 1.00 1.86 N ATOM 13 CA GLY A 2 10.291 5.447 5.772 1.00 1.31 C ATOM 14 C GLY A 2 9.484 5.174 7.062 1.00 1.29 C ATOM 15 O GLY A 2 8.266 5.316 7.035 1.00 1.28 O ATOM 0 H GLY A 2 11.889 4.321 5.035 1.00 1.86 H new ATOM 0 HA2 GLY A 2 10.252 6.518 5.574 1.00 1.31 H new ATOM 0 HA3 GLY A 2 9.780 4.951 4.947 1.00 1.31 H new ATOM 19 N GLU A 3 10.091 4.734 8.171 1.00 1.29 N ATOM 20 CA GLU A 3 9.367 4.308 9.387 1.00 1.26 C ATOM 21 C GLU A 3 8.695 5.464 10.157 1.00 1.35 C ATOM 22 O GLU A 3 7.583 5.303 10.668 1.00 1.39 O ATOM 23 CB GLU A 3 10.350 3.565 10.303 1.00 1.34 C ATOM 24 CG GLU A 3 9.696 2.921 11.532 1.00 1.48 C ATOM 25 CD GLU A 3 10.746 2.295 12.454 1.00 2.34 C ATOM 26 OE1 GLU A 3 11.761 2.962 12.761 1.00 3.43 O ATOM 27 OE2 GLU A 3 10.571 1.161 12.943 1.00 3.17 O ATOM 0 H GLU A 3 11.105 4.661 8.256 1.00 1.29 H new ATOM 0 HA GLU A 3 8.552 3.659 9.067 1.00 1.26 H new ATOM 0 HB2 GLU A 3 10.854 2.790 9.725 1.00 1.34 H new ATOM 0 HB3 GLU A 3 11.117 4.263 10.637 1.00 1.34 H new ATOM 0 HG2 GLU A 3 9.128 3.672 12.081 1.00 1.48 H new ATOM 0 HG3 GLU A 3 8.988 2.157 11.212 1.00 1.48 H new ATOM 34 N GLN A 4 9.342 6.633 10.240 1.00 1.45 N ATOM 35 CA GLN A 4 8.766 7.825 10.886 1.00 1.59 C ATOM 36 C GLN A 4 7.662 8.464 10.035 1.00 1.65 C ATOM 37 O GLN A 4 6.798 9.154 10.579 1.00 1.89 O ATOM 38 CB GLN A 4 9.863 8.829 11.280 1.00 1.75 C ATOM 39 CG GLN A 4 10.687 8.324 12.479 1.00 2.68 C ATOM 40 CD GLN A 4 11.815 9.270 12.884 1.00 3.51 C ATOM 41 OE1 GLN A 4 11.864 10.445 12.536 1.00 3.62 O ATOM 42 NE2 GLN A 4 12.766 8.809 13.663 1.00 4.71 N ATOM 0 H GLN A 4 10.278 6.782 9.863 1.00 1.45 H new ATOM 0 HA GLN A 4 8.285 7.500 11.809 1.00 1.59 H new ATOM 0 HB2 GLN A 4 10.523 9.000 10.430 1.00 1.75 H new ATOM 0 HB3 GLN A 4 9.408 9.788 11.528 1.00 1.75 H new ATOM 0 HG2 GLN A 4 10.023 8.178 13.331 1.00 2.68 H new ATOM 0 HG3 GLN A 4 11.111 7.350 12.234 1.00 2.68 H new ATOM 0 HE21 GLN A 4 12.749 7.836 13.967 1.00 4.71 H new ATOM 0 HE22 GLN A 4 13.522 9.424 13.964 1.00 4.71 H new ATOM 51 N ILE A 5 7.616 8.187 8.728 1.00 1.46 N ATOM 52 CA ILE A 5 6.412 8.364 7.906 1.00 1.32 C ATOM 53 C ILE A 5 5.395 7.266 8.238 1.00 1.40 C ATOM 54 O ILE A 5 4.295 7.604 8.654 1.00 1.57 O ATOM 55 CB ILE A 5 6.764 8.394 6.396 1.00 1.16 C ATOM 56 CG1 ILE A 5 7.735 9.544 6.042 1.00 1.15 C ATOM 57 CG2 ILE A 5 5.497 8.503 5.525 1.00 1.08 C ATOM 58 CD1 ILE A 5 8.379 9.390 4.655 1.00 1.13 C ATOM 0 H ILE A 5 8.417 7.831 8.206 1.00 1.46 H new ATOM 0 HA ILE A 5 5.960 9.328 8.139 1.00 1.32 H new ATOM 0 HB ILE A 5 7.264 7.449 6.183 1.00 1.16 H new ATOM 0 HG12 ILE A 5 7.196 10.491 6.082 1.00 1.15 H new ATOM 0 HG13 ILE A 5 8.520 9.592 6.796 1.00 1.15 H new ATOM 0 HG21 ILE A 5 5.780 8.522 4.472 1.00 1.08 H new ATOM 0 HG22 ILE A 5 4.852 7.645 5.712 1.00 1.08 H new ATOM 0 HG23 ILE A 5 4.962 9.420 5.773 1.00 1.08 H new ATOM 0 HD11 ILE A 5 9.049 10.230 4.470 1.00 1.13 H new ATOM 0 HD12 ILE A 5 8.945 8.459 4.618 1.00 1.13 H new ATOM 0 HD13 ILE A 5 7.600 9.371 3.892 1.00 1.13 H new ATOM 70 N PHE A 6 5.706 5.967 8.113 1.00 1.34 N ATOM 71 CA PHE A 6 4.694 4.901 8.240 1.00 1.32 C ATOM 72 C PHE A 6 3.850 5.017 9.519 1.00 1.25 C ATOM 73 O PHE A 6 2.618 5.072 9.452 1.00 1.29 O ATOM 74 CB PHE A 6 5.329 3.503 8.183 1.00 1.31 C ATOM 75 CG PHE A 6 4.292 2.400 8.371 1.00 1.32 C ATOM 76 CD1 PHE A 6 3.453 2.026 7.304 1.00 2.49 C ATOM 77 CD2 PHE A 6 4.105 1.805 9.634 1.00 2.69 C ATOM 78 CE1 PHE A 6 2.423 1.088 7.499 1.00 2.59 C ATOM 79 CE2 PHE A 6 3.076 0.866 9.832 1.00 2.73 C ATOM 80 CZ PHE A 6 2.227 0.516 8.768 1.00 1.56 C ATOM 0 H PHE A 6 6.649 5.627 7.924 1.00 1.34 H new ATOM 0 HA PHE A 6 4.031 5.036 7.385 1.00 1.32 H new ATOM 0 HB2 PHE A 6 5.830 3.371 7.224 1.00 1.31 H new ATOM 0 HB3 PHE A 6 6.093 3.419 8.956 1.00 1.31 H new ATOM 0 HD1 PHE A 6 3.601 2.463 6.328 1.00 2.49 H new ATOM 0 HD2 PHE A 6 4.755 2.071 10.455 1.00 2.69 H new ATOM 0 HE1 PHE A 6 1.784 0.808 6.675 1.00 2.59 H new ATOM 0 HE2 PHE A 6 2.938 0.414 10.803 1.00 2.73 H new ATOM 0 HZ PHE A 6 1.426 -0.191 8.925 1.00 1.56 H new ATOM 90 N ARG A 7 4.518 5.131 10.672 1.00 1.24 N ATOM 91 CA ARG A 7 3.896 5.145 12.000 1.00 1.35 C ATOM 92 C ARG A 7 3.063 6.416 12.267 1.00 1.45 C ATOM 93 O ARG A 7 2.284 6.436 13.213 1.00 1.67 O ATOM 94 CB ARG A 7 5.006 4.998 13.059 1.00 1.53 C ATOM 95 CG ARG A 7 4.531 4.301 14.347 1.00 2.12 C ATOM 96 CD ARG A 7 4.454 2.776 14.192 1.00 3.24 C ATOM 97 NE ARG A 7 5.802 2.187 14.143 1.00 4.66 N ATOM 98 CZ ARG A 7 6.162 1.065 13.498 1.00 6.10 C ATOM 99 NH1 ARG A 7 5.284 0.322 12.806 1.00 6.44 N ATOM 100 NH2 ARG A 7 7.443 0.677 13.555 1.00 7.70 N ATOM 0 H ARG A 7 5.534 5.218 10.708 1.00 1.24 H new ATOM 0 HA ARG A 7 3.195 4.312 12.053 1.00 1.35 H new ATOM 0 HB2 ARG A 7 5.833 4.432 12.632 1.00 1.53 H new ATOM 0 HB3 ARG A 7 5.392 5.986 13.310 1.00 1.53 H new ATOM 0 HG2 ARG A 7 5.212 4.547 15.162 1.00 2.12 H new ATOM 0 HG3 ARG A 7 3.549 4.685 14.624 1.00 2.12 H new ATOM 0 HD2 ARG A 7 3.896 2.349 15.025 1.00 3.24 H new ATOM 0 HD3 ARG A 7 3.909 2.525 13.282 1.00 3.24 H new ATOM 0 HE ARG A 7 6.537 2.680 14.650 1.00 4.66 H new ATOM 0 HH11 ARG A 7 4.305 0.603 12.757 1.00 6.44 H new ATOM 0 HH12 ARG A 7 5.596 -0.524 12.329 1.00 6.44 H new ATOM 0 HH21 ARG A 7 8.120 1.230 14.080 1.00 7.70 H new ATOM 0 HH22 ARG A 7 7.741 -0.171 13.073 1.00 7.70 H new ATOM 114 N THR A 8 3.215 7.461 11.444 1.00 1.38 N ATOM 115 CA THR A 8 2.526 8.765 11.573 1.00 1.56 C ATOM 116 C THR A 8 1.511 9.056 10.460 1.00 1.57 C ATOM 117 O THR A 8 0.491 9.703 10.709 1.00 1.69 O ATOM 118 CB THR A 8 3.542 9.920 11.615 1.00 1.75 C ATOM 119 OG1 THR A 8 4.278 9.996 10.420 1.00 1.70 O ATOM 120 CG2 THR A 8 4.515 9.832 12.789 1.00 2.03 C ATOM 0 H THR A 8 3.841 7.428 10.640 1.00 1.38 H new ATOM 0 HA THR A 8 1.973 8.694 12.509 1.00 1.56 H new ATOM 0 HB THR A 8 2.944 10.822 11.745 1.00 1.75 H new ATOM 0 HG1 THR A 8 5.222 9.806 10.604 1.00 1.70 H new ATOM 0 HG21 THR A 8 5.202 10.678 12.756 1.00 2.03 H new ATOM 0 HG22 THR A 8 3.958 9.853 13.726 1.00 2.03 H new ATOM 0 HG23 THR A 8 5.080 8.902 12.724 1.00 2.03 H new ATOM 128 N ARG A 9 1.768 8.595 9.230 1.00 1.57 N ATOM 129 CA ARG A 9 1.057 8.915 7.980 1.00 1.86 C ATOM 130 C ARG A 9 0.248 7.744 7.417 1.00 1.75 C ATOM 131 O ARG A 9 -0.616 7.965 6.570 1.00 1.96 O ATOM 132 CB ARG A 9 2.136 9.369 6.976 1.00 2.35 C ATOM 133 CG ARG A 9 1.662 9.909 5.620 1.00 1.59 C ATOM 134 CD ARG A 9 0.779 11.152 5.739 1.00 1.14 C ATOM 135 NE ARG A 9 0.632 11.810 4.430 1.00 1.81 N ATOM 136 CZ ARG A 9 -0.496 11.954 3.716 1.00 2.95 C ATOM 137 NH1 ARG A 9 -1.683 11.507 4.153 1.00 3.75 N ATOM 138 NH2 ARG A 9 -0.423 12.567 2.528 1.00 4.17 N ATOM 0 H ARG A 9 2.533 7.941 9.067 1.00 1.57 H new ATOM 0 HA ARG A 9 0.318 9.693 8.173 1.00 1.86 H new ATOM 0 HB2 ARG A 9 2.736 10.143 7.455 1.00 2.35 H new ATOM 0 HB3 ARG A 9 2.797 8.523 6.788 1.00 2.35 H new ATOM 0 HG2 ARG A 9 2.532 10.147 5.007 1.00 1.59 H new ATOM 0 HG3 ARG A 9 1.109 9.128 5.099 1.00 1.59 H new ATOM 0 HD2 ARG A 9 -0.202 10.873 6.124 1.00 1.14 H new ATOM 0 HD3 ARG A 9 1.216 11.848 6.455 1.00 1.14 H new ATOM 0 HE ARG A 9 1.481 12.200 4.020 1.00 1.81 H new ATOM 0 HH11 ARG A 9 -1.750 11.039 5.057 1.00 3.75 H new ATOM 0 HH12 ARG A 9 -2.518 11.635 3.582 1.00 3.75 H new ATOM 0 HH21 ARG A 9 0.474 12.911 2.186 1.00 4.17 H new ATOM 0 HH22 ARG A 9 -1.265 12.690 1.965 1.00 4.17 H new ATOM 152 N CYS A 10 0.548 6.507 7.820 1.00 1.57 N ATOM 153 CA CYS A 10 0.089 5.313 7.096 1.00 1.64 C ATOM 154 C CYS A 10 -0.543 4.214 7.960 1.00 1.50 C ATOM 155 O CYS A 10 -1.365 3.458 7.445 1.00 1.60 O ATOM 156 CB CYS A 10 1.275 4.761 6.299 1.00 1.74 C ATOM 157 SG CYS A 10 0.947 3.383 5.163 1.00 1.74 S ATOM 0 H CYS A 10 1.109 6.303 8.647 1.00 1.57 H new ATOM 0 HA CYS A 10 -0.727 5.633 6.448 1.00 1.64 H new ATOM 0 HB2 CYS A 10 1.703 5.580 5.721 1.00 1.74 H new ATOM 0 HB3 CYS A 10 2.037 4.439 7.008 1.00 1.74 H new ATOM 162 N SER A 11 -0.224 4.125 9.254 1.00 1.45 N ATOM 163 CA SER A 11 -0.748 3.095 10.171 1.00 1.39 C ATOM 164 C SER A 11 -2.199 3.354 10.648 1.00 1.53 C ATOM 165 O SER A 11 -2.957 4.075 9.991 1.00 3.10 O ATOM 166 CB SER A 11 0.248 2.941 11.326 1.00 1.60 C ATOM 167 OG SER A 11 0.306 4.116 12.110 1.00 1.90 O ATOM 0 H SER A 11 0.417 4.776 9.707 1.00 1.45 H new ATOM 0 HA SER A 11 -0.832 2.153 9.629 1.00 1.39 H new ATOM 0 HB2 SER A 11 -0.044 2.097 11.951 1.00 1.60 H new ATOM 0 HB3 SER A 11 1.238 2.716 10.929 1.00 1.60 H new ATOM 0 HG SER A 11 0.947 3.991 12.840 1.00 1.90 H new ATOM 173 N SER A 12 -2.617 2.734 11.761 1.00 1.65 N ATOM 174 CA SER A 12 -3.969 2.800 12.364 1.00 1.74 C ATOM 175 C SER A 12 -5.118 2.150 11.568 1.00 1.32 C ATOM 176 O SER A 12 -6.270 2.207 12.000 1.00 1.51 O ATOM 177 CB SER A 12 -4.323 4.210 12.861 1.00 2.36 C ATOM 178 OG SER A 12 -3.318 4.709 13.726 1.00 3.80 O ATOM 0 H SER A 12 -1.990 2.137 12.300 1.00 1.65 H new ATOM 0 HA SER A 12 -3.877 2.147 13.232 1.00 1.74 H new ATOM 0 HB2 SER A 12 -4.442 4.881 12.010 1.00 2.36 H new ATOM 0 HB3 SER A 12 -5.279 4.186 13.384 1.00 2.36 H new ATOM 0 HG SER A 12 -3.564 5.608 14.029 1.00 3.80 H new ATOM 184 N CYS A 13 -4.808 1.454 10.470 1.00 1.06 N ATOM 185 CA CYS A 13 -5.645 0.377 9.917 1.00 0.98 C ATOM 186 C CYS A 13 -4.809 -0.890 9.692 1.00 1.01 C ATOM 187 O CYS A 13 -5.213 -1.967 10.133 1.00 1.80 O ATOM 188 CB CYS A 13 -6.327 0.764 8.598 1.00 0.95 C ATOM 189 SG CYS A 13 -7.233 2.339 8.544 1.00 0.98 S ATOM 0 H CYS A 13 -3.959 1.622 9.931 1.00 1.06 H new ATOM 0 HA CYS A 13 -6.427 0.192 10.654 1.00 0.98 H new ATOM 0 HB2 CYS A 13 -5.563 0.790 7.821 1.00 0.95 H new ATOM 0 HB3 CYS A 13 -7.023 -0.032 8.334 1.00 0.95 H new ATOM 194 N HIS A 14 -3.640 -0.770 9.052 1.00 0.84 N ATOM 195 CA HIS A 14 -2.635 -1.830 8.931 1.00 0.83 C ATOM 196 C HIS A 14 -1.535 -1.758 10.000 1.00 0.83 C ATOM 197 O HIS A 14 -1.249 -0.727 10.610 1.00 1.20 O ATOM 198 CB HIS A 14 -1.915 -1.786 7.570 1.00 1.13 C ATOM 199 CG HIS A 14 -2.788 -1.801 6.356 1.00 0.90 C ATOM 200 ND1 HIS A 14 -3.238 -2.891 5.659 1.00 2.17 N ATOM 201 CD2 HIS A 14 -3.056 -0.693 5.626 1.00 0.82 C ATOM 202 CE1 HIS A 14 -3.779 -2.434 4.516 1.00 2.31 C ATOM 203 NE2 HIS A 14 -3.695 -1.086 4.437 1.00 0.97 N ATOM 0 H HIS A 14 -3.360 0.095 8.590 1.00 0.84 H new ATOM 0 HA HIS A 14 -3.208 -2.749 9.052 1.00 0.83 H new ATOM 0 HB2 HIS A 14 -1.300 -0.887 7.538 1.00 1.13 H new ATOM 0 HB3 HIS A 14 -1.237 -2.638 7.514 1.00 1.13 H new ATOM 0 HD1 HIS A 14 -3.175 -3.866 5.952 1.00 2.17 H new ATOM 0 HD2 HIS A 14 -2.819 0.322 5.909 1.00 0.82 H new ATOM 0 HE1 HIS A 14 -4.223 -3.062 3.758 1.00 2.31 H new ATOM 211 N THR A 15 -0.804 -2.862 10.003 1.00 0.78 N ATOM 212 CA THR A 15 0.602 -2.993 10.401 1.00 1.00 C ATOM 213 C THR A 15 1.292 -3.971 9.437 1.00 0.70 C ATOM 214 O THR A 15 0.658 -4.593 8.579 1.00 0.72 O ATOM 215 CB THR A 15 0.792 -3.476 11.850 1.00 1.64 C ATOM 216 OG1 THR A 15 0.456 -4.833 11.960 1.00 2.01 O ATOM 217 CG2 THR A 15 0.026 -2.709 12.923 1.00 2.05 C ATOM 0 H THR A 15 -1.198 -3.755 9.708 1.00 0.78 H new ATOM 0 HA THR A 15 1.047 -1.999 10.352 1.00 1.00 H new ATOM 0 HB THR A 15 1.848 -3.292 12.045 1.00 1.64 H new ATOM 0 HG1 THR A 15 -0.495 -4.918 12.179 1.00 2.01 H new ATOM 0 HG21 THR A 15 0.239 -3.141 13.901 1.00 2.05 H new ATOM 0 HG22 THR A 15 0.334 -1.663 12.913 1.00 2.05 H new ATOM 0 HG23 THR A 15 -1.044 -2.774 12.723 1.00 2.05 H new ATOM 225 N VAL A 16 2.605 -4.128 9.580 1.00 0.88 N ATOM 226 CA VAL A 16 3.426 -5.120 8.868 1.00 1.01 C ATOM 227 C VAL A 16 3.637 -6.297 9.827 1.00 1.22 C ATOM 228 O VAL A 16 4.690 -6.441 10.433 1.00 1.64 O ATOM 229 CB VAL A 16 4.714 -4.423 8.372 1.00 1.32 C ATOM 230 CG1 VAL A 16 5.697 -5.344 7.638 1.00 2.12 C ATOM 231 CG2 VAL A 16 4.391 -3.259 7.412 1.00 1.62 C ATOM 0 H VAL A 16 3.153 -3.550 10.217 1.00 0.88 H new ATOM 0 HA VAL A 16 2.957 -5.526 7.972 1.00 1.01 H new ATOM 0 HB VAL A 16 5.187 -4.074 9.290 1.00 1.32 H new ATOM 0 HG11 VAL A 16 6.570 -4.770 7.327 1.00 2.12 H new ATOM 0 HG12 VAL A 16 6.010 -6.147 8.305 1.00 2.12 H new ATOM 0 HG13 VAL A 16 5.211 -5.770 6.760 1.00 2.12 H new ATOM 0 HG21 VAL A 16 5.319 -2.791 7.082 1.00 1.62 H new ATOM 0 HG22 VAL A 16 3.850 -3.641 6.546 1.00 1.62 H new ATOM 0 HG23 VAL A 16 3.776 -2.522 7.928 1.00 1.62 H new ATOM 241 N GLY A 17 2.582 -7.083 10.062 1.00 1.33 N ATOM 242 CA GLY A 17 2.610 -8.289 10.914 1.00 1.78 C ATOM 243 C GLY A 17 2.702 -8.063 12.430 1.00 1.47 C ATOM 244 O GLY A 17 2.637 -9.023 13.202 1.00 1.87 O ATOM 0 H GLY A 17 1.663 -6.900 9.660 1.00 1.33 H new ATOM 0 HA2 GLY A 17 1.710 -8.869 10.711 1.00 1.78 H new ATOM 0 HA3 GLY A 17 3.459 -8.901 10.609 1.00 1.78 H new ATOM 248 N ASN A 18 2.852 -6.818 12.886 1.00 1.63 N ATOM 249 CA ASN A 18 2.985 -6.469 14.306 1.00 2.26 C ATOM 250 C ASN A 18 1.646 -6.549 15.071 1.00 2.53 C ATOM 251 O ASN A 18 1.629 -6.821 16.276 1.00 3.46 O ATOM 252 CB ASN A 18 3.597 -5.062 14.382 1.00 2.90 C ATOM 253 CG ASN A 18 3.947 -4.698 15.810 1.00 3.60 C ATOM 254 OD1 ASN A 18 3.126 -4.208 16.570 1.00 4.39 O ATOM 255 ND2 ASN A 18 5.151 -4.965 16.240 1.00 4.34 N ATOM 0 H ASN A 18 2.885 -6.007 12.269 1.00 1.63 H new ATOM 0 HA ASN A 18 3.634 -7.195 14.796 1.00 2.26 H new ATOM 0 HB2 ASN A 18 4.492 -5.017 13.762 1.00 2.90 H new ATOM 0 HB3 ASN A 18 2.893 -4.333 13.979 1.00 2.90 H new ATOM 0 HD21 ASN A 18 5.403 -4.764 17.208 1.00 4.34 H new ATOM 0 HD22 ASN A 18 5.839 -5.374 15.608 1.00 4.34 H new ATOM 262 N THR A 19 0.535 -6.323 14.370 1.00 2.70 N ATOM 263 CA THR A 19 -0.853 -6.137 14.844 1.00 3.50 C ATOM 264 C THR A 19 -1.079 -4.905 15.736 1.00 4.67 C ATOM 265 O THR A 19 -2.154 -4.318 15.655 1.00 5.72 O ATOM 266 CB THR A 19 -1.437 -7.418 15.472 1.00 4.45 C ATOM 267 OG1 THR A 19 -1.070 -8.564 14.726 1.00 4.27 O ATOM 268 CG2 THR A 19 -2.965 -7.423 15.523 1.00 5.52 C ATOM 0 H THR A 19 0.580 -6.258 13.353 1.00 2.70 H new ATOM 0 HA THR A 19 -1.416 -5.925 13.935 1.00 3.50 H new ATOM 0 HB THR A 19 -1.031 -7.439 16.483 1.00 4.45 H new ATOM 0 HG1 THR A 19 -1.451 -9.363 15.146 1.00 4.27 H new ATOM 0 HG21 THR A 19 -3.311 -8.352 15.976 1.00 5.52 H new ATOM 0 HG22 THR A 19 -3.312 -6.578 16.118 1.00 5.52 H new ATOM 0 HG23 THR A 19 -3.363 -7.342 14.511 1.00 5.52 H new ATOM 276 N GLU A 20 -0.084 -4.461 16.516 1.00 5.42 N ATOM 277 CA GLU A 20 -0.167 -3.395 17.536 1.00 6.85 C ATOM 278 C GLU A 20 -1.195 -3.662 18.670 1.00 7.35 C ATOM 279 O GLU A 20 -2.084 -4.509 18.526 1.00 6.78 O ATOM 280 CB GLU A 20 -0.307 -2.005 16.868 1.00 7.67 C ATOM 281 CG GLU A 20 1.062 -1.409 16.508 1.00 8.26 C ATOM 282 CD GLU A 20 0.942 0.050 16.055 1.00 9.37 C ATOM 283 OE1 GLU A 20 0.865 0.954 16.922 1.00 10.23 O ATOM 284 OE2 GLU A 20 0.908 0.323 14.830 1.00 9.84 O ATOM 0 H GLU A 20 0.855 -4.855 16.452 1.00 5.42 H new ATOM 0 HA GLU A 20 0.783 -3.401 18.071 1.00 6.85 H new ATOM 0 HB2 GLU A 20 -0.914 -2.093 15.967 1.00 7.67 H new ATOM 0 HB3 GLU A 20 -0.833 -1.328 17.542 1.00 7.67 H new ATOM 0 HG2 GLU A 20 1.724 -1.469 17.372 1.00 8.26 H new ATOM 0 HG3 GLU A 20 1.519 -2.000 15.715 1.00 8.26 H new ATOM 291 N PRO A 21 -1.079 -3.002 19.845 1.00 8.71 N ATOM 292 CA PRO A 21 -1.909 -3.309 21.021 1.00 9.48 C ATOM 293 C PRO A 21 -3.386 -2.906 20.887 1.00 9.35 C ATOM 294 O PRO A 21 -4.237 -3.486 21.565 1.00 8.90 O ATOM 295 CB PRO A 21 -1.237 -2.592 22.198 1.00 11.05 C ATOM 296 CG PRO A 21 -0.484 -1.443 21.532 1.00 11.31 C ATOM 297 CD PRO A 21 -0.037 -2.051 20.210 1.00 9.83 C ATOM 0 HA PRO A 21 -1.956 -4.389 21.158 1.00 9.48 H new ATOM 0 HB2 PRO A 21 -1.970 -2.228 22.918 1.00 11.05 H new ATOM 0 HB3 PRO A 21 -0.561 -3.255 22.739 1.00 11.05 H new ATOM 0 HG2 PRO A 21 -1.124 -0.574 21.381 1.00 11.31 H new ATOM 0 HG3 PRO A 21 0.364 -1.114 22.133 1.00 11.31 H new ATOM 0 HD2 PRO A 21 0.079 -1.284 19.445 1.00 9.83 H new ATOM 0 HD3 PRO A 21 0.928 -2.547 20.313 1.00 9.83 H new ATOM 305 N GLY A 22 -3.721 -1.951 20.012 1.00 10.01 N ATOM 306 CA GLY A 22 -5.107 -1.611 19.675 1.00 9.99 C ATOM 307 C GLY A 22 -5.817 -2.708 18.870 1.00 8.57 C ATOM 308 O GLY A 22 -5.238 -3.743 18.526 1.00 8.19 O ATOM 0 H GLY A 22 -3.032 -1.388 19.514 1.00 10.01 H new ATOM 0 HA2 GLY A 22 -5.663 -1.425 20.594 1.00 9.99 H new ATOM 0 HA3 GLY A 22 -5.118 -0.683 19.103 1.00 9.99 H new ATOM 312 N GLN A 23 -7.085 -2.479 18.536 1.00 8.26 N ATOM 313 CA GLN A 23 -7.911 -3.428 17.785 1.00 7.31 C ATOM 314 C GLN A 23 -7.555 -3.420 16.278 1.00 6.03 C ATOM 315 O GLN A 23 -7.447 -2.334 15.688 1.00 5.97 O ATOM 316 CB GLN A 23 -9.408 -3.130 18.005 1.00 8.10 C ATOM 317 CG GLN A 23 -9.912 -3.451 19.429 1.00 9.08 C ATOM 318 CD GLN A 23 -9.335 -2.560 20.531 1.00 10.41 C ATOM 319 OE1 GLN A 23 -8.987 -1.403 20.321 1.00 10.97 O ATOM 320 NE2 GLN A 23 -9.213 -3.044 21.745 1.00 11.33 N ATOM 0 H GLN A 23 -7.576 -1.619 18.781 1.00 8.26 H new ATOM 0 HA GLN A 23 -7.701 -4.429 18.161 1.00 7.31 H new ATOM 0 HB2 GLN A 23 -9.592 -2.077 17.795 1.00 8.10 H new ATOM 0 HB3 GLN A 23 -9.991 -3.705 17.286 1.00 8.10 H new ATOM 0 HG2 GLN A 23 -10.998 -3.364 19.443 1.00 9.08 H new ATOM 0 HG3 GLN A 23 -9.672 -4.489 19.658 1.00 9.08 H new ATOM 0 HE21 GLN A 23 -9.496 -4.004 21.942 1.00 11.33 H new ATOM 0 HE22 GLN A 23 -8.835 -2.460 22.491 1.00 11.33 H new ATOM 329 N PRO A 24 -7.398 -4.596 15.634 1.00 5.45 N ATOM 330 CA PRO A 24 -7.270 -4.737 14.181 1.00 4.58 C ATOM 331 C PRO A 24 -8.665 -4.804 13.514 1.00 3.86 C ATOM 332 O PRO A 24 -9.672 -4.408 14.114 1.00 4.55 O ATOM 333 CB PRO A 24 -6.448 -6.025 14.025 1.00 5.30 C ATOM 334 CG PRO A 24 -6.994 -6.909 15.144 1.00 6.23 C ATOM 335 CD PRO A 24 -7.273 -5.906 16.265 1.00 6.27 C ATOM 0 HA PRO A 24 -6.784 -3.895 13.689 1.00 4.58 H new ATOM 0 HB2 PRO A 24 -6.589 -6.479 13.044 1.00 5.30 H new ATOM 0 HB3 PRO A 24 -5.380 -5.840 14.140 1.00 5.30 H new ATOM 0 HG2 PRO A 24 -7.898 -7.435 14.838 1.00 6.23 H new ATOM 0 HG3 PRO A 24 -6.272 -7.666 15.450 1.00 6.23 H new ATOM 0 HD2 PRO A 24 -8.187 -6.167 16.799 1.00 6.27 H new ATOM 0 HD3 PRO A 24 -6.465 -5.908 16.996 1.00 6.27 H new ATOM 343 N GLY A 25 -8.757 -5.335 12.291 1.00 3.50 N ATOM 344 CA GLY A 25 -10.019 -5.683 11.621 1.00 3.62 C ATOM 345 C GLY A 25 -10.384 -4.840 10.400 1.00 2.69 C ATOM 346 O GLY A 25 -11.237 -5.259 9.619 1.00 3.03 O ATOM 0 H GLY A 25 -7.936 -5.541 11.723 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -9.968 -6.728 11.314 1.00 3.62 H new ATOM 0 HA3 GLY A 25 -10.827 -5.603 12.348 1.00 3.62 H new ATOM 350 N ILE A 26 -9.742 -3.689 10.189 1.00 1.80 N ATOM 351 CA ILE A 26 -9.896 -2.876 8.972 1.00 1.27 C ATOM 352 C ILE A 26 -8.836 -3.303 7.950 1.00 1.84 C ATOM 353 O ILE A 26 -9.168 -3.695 6.831 1.00 2.96 O ATOM 354 CB ILE A 26 -9.836 -1.359 9.288 1.00 1.03 C ATOM 355 CG1 ILE A 26 -10.903 -0.965 10.336 1.00 1.52 C ATOM 356 CG2 ILE A 26 -10.023 -0.540 7.998 1.00 1.39 C ATOM 357 CD1 ILE A 26 -10.831 0.498 10.797 1.00 1.27 C ATOM 0 H ILE A 26 -9.092 -3.287 10.864 1.00 1.80 H new ATOM 0 HA ILE A 26 -10.882 -3.050 8.542 1.00 1.27 H new ATOM 0 HB ILE A 26 -8.855 -1.138 9.708 1.00 1.03 H new ATOM 0 HG12 ILE A 26 -11.892 -1.153 9.918 1.00 1.52 H new ATOM 0 HG13 ILE A 26 -10.796 -1.613 11.206 1.00 1.52 H new ATOM 0 HG21 ILE A 26 -9.979 0.524 8.233 1.00 1.39 H new ATOM 0 HG22 ILE A 26 -9.231 -0.789 7.291 1.00 1.39 H new ATOM 0 HG23 ILE A 26 -10.991 -0.774 7.556 1.00 1.39 H new ATOM 0 HD11 ILE A 26 -11.614 0.687 11.531 1.00 1.27 H new ATOM 0 HD12 ILE A 26 -9.857 0.690 11.248 1.00 1.27 H new ATOM 0 HD13 ILE A 26 -10.970 1.157 9.940 1.00 1.27 H new ATOM 369 N GLY A 27 -7.557 -3.255 8.333 1.00 1.63 N ATOM 370 CA GLY A 27 -6.434 -3.577 7.450 1.00 2.49 C ATOM 371 C GLY A 27 -6.092 -5.075 7.399 1.00 1.71 C ATOM 372 O GLY A 27 -5.930 -5.693 8.459 1.00 1.66 O ATOM 0 H GLY A 27 -7.270 -2.989 9.275 1.00 1.63 H new ATOM 0 HA2 GLY A 27 -6.667 -3.233 6.442 1.00 2.49 H new ATOM 0 HA3 GLY A 27 -5.554 -3.024 7.781 1.00 2.49 H new ATOM 376 N PRO A 28 -5.892 -5.651 6.198 1.00 1.71 N ATOM 377 CA PRO A 28 -5.131 -6.891 6.008 1.00 1.59 C ATOM 378 C PRO A 28 -3.642 -6.704 6.357 1.00 1.41 C ATOM 379 O PRO A 28 -3.161 -5.573 6.465 1.00 1.39 O ATOM 380 CB PRO A 28 -5.330 -7.278 4.538 1.00 2.09 C ATOM 381 CG PRO A 28 -6.553 -6.477 4.092 1.00 2.54 C ATOM 382 CD PRO A 28 -6.444 -5.208 4.927 1.00 2.20 C ATOM 0 HA PRO A 28 -5.482 -7.679 6.674 1.00 1.59 H new ATOM 0 HB2 PRO A 28 -4.453 -7.029 3.940 1.00 2.09 H new ATOM 0 HB3 PRO A 28 -5.496 -8.350 4.429 1.00 2.09 H new ATOM 0 HG2 PRO A 28 -6.529 -6.262 3.024 1.00 2.54 H new ATOM 0 HG3 PRO A 28 -7.482 -7.013 4.289 1.00 2.54 H new ATOM 0 HD2 PRO A 28 -5.797 -4.473 4.448 1.00 2.20 H new ATOM 0 HD3 PRO A 28 -7.418 -4.736 5.060 1.00 2.20 H new ATOM 390 N ASP A 29 -2.893 -7.794 6.531 1.00 1.48 N ATOM 391 CA ASP A 29 -1.498 -7.747 6.993 1.00 1.34 C ATOM 392 C ASP A 29 -0.494 -7.350 5.896 1.00 1.12 C ATOM 393 O ASP A 29 -0.485 -7.932 4.812 1.00 1.41 O ATOM 394 CB ASP A 29 -1.115 -9.076 7.667 1.00 1.68 C ATOM 395 CG ASP A 29 -1.013 -10.303 6.750 1.00 3.38 C ATOM 396 OD1 ASP A 29 -1.908 -10.564 5.910 1.00 4.90 O ATOM 397 OD2 ASP A 29 -0.068 -11.098 6.946 1.00 3.90 O ATOM 0 H ASP A 29 -3.235 -8.739 6.356 1.00 1.48 H new ATOM 0 HA ASP A 29 -1.438 -6.947 7.731 1.00 1.34 H new ATOM 0 HB2 ASP A 29 -0.155 -8.942 8.166 1.00 1.68 H new ATOM 0 HB3 ASP A 29 -1.850 -9.290 8.443 1.00 1.68 H new ATOM 402 N LEU A 30 0.404 -6.394 6.167 1.00 0.88 N ATOM 403 CA LEU A 30 1.433 -5.938 5.205 1.00 0.83 C ATOM 404 C LEU A 30 2.791 -6.660 5.343 1.00 0.92 C ATOM 405 O LEU A 30 3.735 -6.338 4.625 1.00 1.14 O ATOM 406 CB LEU A 30 1.598 -4.412 5.303 1.00 0.87 C ATOM 407 CG LEU A 30 0.331 -3.591 5.029 1.00 0.86 C ATOM 408 CD1 LEU A 30 0.657 -2.104 5.191 1.00 0.93 C ATOM 409 CD2 LEU A 30 -0.215 -3.796 3.613 1.00 1.28 C ATOM 0 H LEU A 30 0.443 -5.908 7.063 1.00 0.88 H new ATOM 0 HA LEU A 30 1.072 -6.206 4.212 1.00 0.83 H new ATOM 0 HB2 LEU A 30 1.960 -4.167 6.302 1.00 0.87 H new ATOM 0 HB3 LEU A 30 2.370 -4.102 4.599 1.00 0.87 H new ATOM 0 HG LEU A 30 -0.425 -3.926 5.739 1.00 0.86 H new ATOM 0 HD11 LEU A 30 -0.238 -1.512 4.998 1.00 0.93 H new ATOM 0 HD12 LEU A 30 1.004 -1.916 6.207 1.00 0.93 H new ATOM 0 HD13 LEU A 30 1.437 -1.823 4.483 1.00 0.93 H new ATOM 0 HD21 LEU A 30 -1.111 -3.190 3.477 1.00 1.28 H new ATOM 0 HD22 LEU A 30 0.539 -3.496 2.885 1.00 1.28 H new ATOM 0 HD23 LEU A 30 -0.462 -4.848 3.467 1.00 1.28 H new ATOM 421 N LEU A 31 2.866 -7.627 6.262 1.00 1.14 N ATOM 422 CA LEU A 31 4.013 -8.452 6.679 1.00 1.58 C ATOM 423 C LEU A 31 4.978 -8.890 5.557 1.00 1.29 C ATOM 424 O LEU A 31 6.187 -8.950 5.789 1.00 2.81 O ATOM 425 CB LEU A 31 3.355 -9.639 7.412 1.00 2.34 C ATOM 426 CG LEU A 31 4.179 -10.858 7.875 1.00 3.27 C ATOM 427 CD1 LEU A 31 4.615 -11.798 6.751 1.00 4.45 C ATOM 428 CD2 LEU A 31 5.384 -10.467 8.722 1.00 2.71 C ATOM 0 H LEU A 31 2.033 -7.882 6.793 1.00 1.14 H new ATOM 0 HA LEU A 31 4.692 -7.874 7.306 1.00 1.58 H new ATOM 0 HB2 LEU A 31 2.866 -9.233 8.297 1.00 2.34 H new ATOM 0 HB3 LEU A 31 2.569 -10.018 6.759 1.00 2.34 H new ATOM 0 HG LEU A 31 3.478 -11.417 8.495 1.00 3.27 H new ATOM 0 HD11 LEU A 31 5.188 -12.625 7.170 1.00 4.45 H new ATOM 0 HD12 LEU A 31 3.734 -12.189 6.241 1.00 4.45 H new ATOM 0 HD13 LEU A 31 5.234 -11.252 6.039 1.00 4.45 H new ATOM 0 HD21 LEU A 31 5.926 -11.365 9.019 1.00 2.71 H new ATOM 0 HD22 LEU A 31 6.042 -9.821 8.142 1.00 2.71 H new ATOM 0 HD23 LEU A 31 5.046 -9.936 9.612 1.00 2.71 H new ATOM 440 N GLY A 32 4.466 -9.196 4.365 1.00 1.79 N ATOM 441 CA GLY A 32 5.236 -9.641 3.196 1.00 1.40 C ATOM 442 C GLY A 32 4.958 -8.864 1.902 1.00 1.02 C ATOM 443 O GLY A 32 5.280 -9.361 0.822 1.00 1.04 O ATOM 0 H GLY A 32 3.465 -9.140 4.176 1.00 1.79 H new ATOM 0 HA2 GLY A 32 6.298 -9.563 3.428 1.00 1.40 H new ATOM 0 HA3 GLY A 32 5.025 -10.696 3.021 1.00 1.40 H new ATOM 447 N VAL A 33 4.354 -7.670 1.964 1.00 0.98 N ATOM 448 CA VAL A 33 3.674 -7.054 0.801 1.00 1.14 C ATOM 449 C VAL A 33 4.579 -6.796 -0.415 1.00 0.93 C ATOM 450 O VAL A 33 4.159 -7.007 -1.551 1.00 1.06 O ATOM 451 CB VAL A 33 2.880 -5.809 1.240 1.00 1.45 C ATOM 452 CG1 VAL A 33 3.769 -4.612 1.597 1.00 2.31 C ATOM 453 CG2 VAL A 33 1.866 -5.389 0.174 1.00 1.85 C ATOM 0 H VAL A 33 4.319 -7.102 2.811 1.00 0.98 H new ATOM 0 HA VAL A 33 2.968 -7.797 0.431 1.00 1.14 H new ATOM 0 HB VAL A 33 2.356 -6.108 2.148 1.00 1.45 H new ATOM 0 HG11 VAL A 33 3.144 -3.771 1.897 1.00 2.31 H new ATOM 0 HG12 VAL A 33 4.431 -4.883 2.419 1.00 2.31 H new ATOM 0 HG13 VAL A 33 4.365 -4.330 0.729 1.00 2.31 H new ATOM 0 HG21 VAL A 33 1.323 -4.508 0.516 1.00 1.85 H new ATOM 0 HG22 VAL A 33 2.389 -5.156 -0.754 1.00 1.85 H new ATOM 0 HG23 VAL A 33 1.163 -6.203 -0.000 1.00 1.85 H new ATOM 463 N THR A 34 5.854 -6.447 -0.203 1.00 0.76 N ATOM 464 CA THR A 34 6.842 -6.275 -1.292 1.00 0.76 C ATOM 465 C THR A 34 7.203 -7.593 -2.012 1.00 0.78 C ATOM 466 O THR A 34 7.653 -7.583 -3.160 1.00 0.99 O ATOM 467 CB THR A 34 8.095 -5.534 -0.786 1.00 0.99 C ATOM 468 OG1 THR A 34 9.010 -5.409 -1.845 1.00 2.00 O ATOM 469 CG2 THR A 34 8.795 -6.234 0.379 1.00 1.97 C ATOM 0 H THR A 34 6.237 -6.274 0.727 1.00 0.76 H new ATOM 0 HA THR A 34 6.361 -5.656 -2.049 1.00 0.76 H new ATOM 0 HB THR A 34 7.757 -4.564 -0.421 1.00 0.99 H new ATOM 0 HG1 THR A 34 9.884 -5.141 -1.492 1.00 2.00 H new ATOM 0 HG21 THR A 34 9.667 -5.654 0.681 1.00 1.97 H new ATOM 0 HG22 THR A 34 8.106 -6.318 1.220 1.00 1.97 H new ATOM 0 HG23 THR A 34 9.111 -7.230 0.068 1.00 1.97 H new ATOM 477 N ARG A 35 6.960 -8.751 -1.385 1.00 0.84 N ATOM 478 CA ARG A 35 7.136 -10.082 -1.998 1.00 1.11 C ATOM 479 C ARG A 35 5.828 -10.622 -2.594 1.00 1.25 C ATOM 480 O ARG A 35 5.872 -11.346 -3.585 1.00 1.63 O ATOM 481 CB ARG A 35 7.671 -11.075 -0.947 1.00 1.59 C ATOM 482 CG ARG A 35 8.862 -10.583 -0.107 1.00 1.64 C ATOM 483 CD ARG A 35 10.068 -10.159 -0.952 1.00 2.64 C ATOM 484 NE ARG A 35 11.136 -9.621 -0.096 1.00 4.14 N ATOM 485 CZ ARG A 35 11.820 -8.480 -0.302 1.00 5.88 C ATOM 486 NH1 ARG A 35 11.615 -7.715 -1.386 1.00 6.58 N ATOM 487 NH2 ARG A 35 12.732 -8.097 0.600 1.00 7.37 N ATOM 0 H ARG A 35 6.630 -8.794 -0.421 1.00 0.84 H new ATOM 0 HA ARG A 35 7.853 -9.974 -2.812 1.00 1.11 H new ATOM 0 HB2 ARG A 35 6.856 -11.334 -0.271 1.00 1.59 H new ATOM 0 HB3 ARG A 35 7.965 -11.992 -1.458 1.00 1.59 H new ATOM 0 HG2 ARG A 35 8.542 -9.740 0.505 1.00 1.64 H new ATOM 0 HG3 ARG A 35 9.167 -11.375 0.577 1.00 1.64 H new ATOM 0 HD2 ARG A 35 10.442 -11.013 -1.516 1.00 2.64 H new ATOM 0 HD3 ARG A 35 9.763 -9.406 -1.679 1.00 2.64 H new ATOM 0 HE ARG A 35 11.382 -10.164 0.732 1.00 4.14 H new ATOM 0 HH11 ARG A 35 10.924 -7.993 -2.083 1.00 6.58 H new ATOM 0 HH12 ARG A 35 12.150 -6.856 -1.512 1.00 6.58 H new ATOM 0 HH21 ARG A 35 12.900 -8.667 1.429 1.00 7.37 H new ATOM 0 HH22 ARG A 35 13.259 -7.235 0.458 1.00 7.37 H new ATOM 501 N GLN A 36 4.674 -10.214 -2.056 1.00 1.23 N ATOM 502 CA GLN A 36 3.342 -10.545 -2.593 1.00 1.56 C ATOM 503 C GLN A 36 3.016 -9.829 -3.919 1.00 1.37 C ATOM 504 O GLN A 36 2.248 -10.373 -4.718 1.00 1.66 O ATOM 505 CB GLN A 36 2.261 -10.181 -1.556 1.00 2.10 C ATOM 506 CG GLN A 36 2.272 -11.064 -0.299 1.00 2.60 C ATOM 507 CD GLN A 36 1.381 -10.479 0.793 1.00 4.28 C ATOM 508 OE1 GLN A 36 1.799 -9.628 1.563 1.00 5.20 O ATOM 509 NE2 GLN A 36 0.131 -10.863 0.910 1.00 5.38 N ATOM 0 H GLN A 36 4.635 -9.633 -1.219 1.00 1.23 H new ATOM 0 HA GLN A 36 3.352 -11.616 -2.798 1.00 1.56 H new ATOM 0 HB2 GLN A 36 2.395 -9.141 -1.257 1.00 2.10 H new ATOM 0 HB3 GLN A 36 1.281 -10.253 -2.028 1.00 2.10 H new ATOM 0 HG2 GLN A 36 1.930 -12.067 -0.553 1.00 2.60 H new ATOM 0 HG3 GLN A 36 3.292 -11.160 0.073 1.00 2.60 H new ATOM 0 HE21 GLN A 36 -0.246 -11.572 0.281 1.00 5.38 H new ATOM 0 HE22 GLN A 36 -0.463 -10.452 1.630 1.00 5.38 H new ATOM 518 N ARG A 37 3.551 -8.617 -4.142 1.00 1.20 N ATOM 519 CA ARG A 37 3.179 -7.711 -5.250 1.00 1.46 C ATOM 520 C ARG A 37 4.379 -7.166 -6.031 1.00 1.55 C ATOM 521 O ARG A 37 5.498 -7.075 -5.516 1.00 2.06 O ATOM 522 CB ARG A 37 2.294 -6.570 -4.714 1.00 1.67 C ATOM 523 CG ARG A 37 1.016 -7.021 -3.984 1.00 1.77 C ATOM 524 CD ARG A 37 0.030 -7.803 -4.866 1.00 1.58 C ATOM 525 NE ARG A 37 -1.042 -8.399 -4.050 1.00 1.34 N ATOM 526 CZ ARG A 37 -1.361 -9.704 -3.956 1.00 1.58 C ATOM 527 NH1 ARG A 37 -0.769 -10.642 -4.709 1.00 2.25 N ATOM 528 NH2 ARG A 37 -2.300 -10.079 -3.078 1.00 1.80 N ATOM 0 H ARG A 37 4.276 -8.226 -3.540 1.00 1.20 H new ATOM 0 HA ARG A 37 2.615 -8.304 -5.970 1.00 1.46 H new ATOM 0 HB2 ARG A 37 2.887 -5.961 -4.032 1.00 1.67 H new ATOM 0 HB3 ARG A 37 2.010 -5.929 -5.549 1.00 1.67 H new ATOM 0 HG2 ARG A 37 1.297 -7.642 -3.133 1.00 1.77 H new ATOM 0 HG3 ARG A 37 0.510 -6.142 -3.584 1.00 1.77 H new ATOM 0 HD2 ARG A 37 -0.403 -7.138 -5.613 1.00 1.58 H new ATOM 0 HD3 ARG A 37 0.561 -8.587 -5.406 1.00 1.58 H new ATOM 0 HE ARG A 37 -1.604 -7.753 -3.496 1.00 1.34 H new ATOM 0 HH11 ARG A 37 -0.050 -10.377 -5.382 1.00 2.25 H new ATOM 0 HH12 ARG A 37 -1.038 -11.621 -4.609 1.00 2.25 H new ATOM 0 HH21 ARG A 37 -2.761 -9.381 -2.494 1.00 1.80 H new ATOM 0 HH22 ARG A 37 -2.555 -11.063 -2.993 1.00 1.80 H new ATOM 542 N ASP A 38 4.129 -6.758 -7.270 1.00 1.54 N ATOM 543 CA ASP A 38 5.141 -6.274 -8.209 1.00 1.53 C ATOM 544 C ASP A 38 5.732 -4.915 -7.797 1.00 1.59 C ATOM 545 O ASP A 38 5.014 -4.011 -7.366 1.00 1.77 O ATOM 546 CB ASP A 38 4.526 -6.208 -9.612 1.00 1.63 C ATOM 547 CG ASP A 38 5.574 -5.856 -10.656 1.00 2.81 C ATOM 548 OD1 ASP A 38 5.835 -4.646 -10.855 1.00 4.13 O ATOM 549 OD2 ASP A 38 6.166 -6.793 -11.247 1.00 3.09 O ATOM 0 H ASP A 38 3.188 -6.754 -7.663 1.00 1.54 H new ATOM 0 HA ASP A 38 5.975 -6.975 -8.203 1.00 1.53 H new ATOM 0 HB2 ASP A 38 4.072 -7.168 -9.858 1.00 1.63 H new ATOM 0 HB3 ASP A 38 3.729 -5.465 -9.628 1.00 1.63 H new ATOM 554 N ALA A 39 7.045 -4.763 -7.976 1.00 1.55 N ATOM 555 CA ALA A 39 7.831 -3.614 -7.524 1.00 1.66 C ATOM 556 C ALA A 39 7.433 -2.254 -8.113 1.00 1.58 C ATOM 557 O ALA A 39 7.886 -1.226 -7.596 1.00 2.06 O ATOM 558 CB ALA A 39 9.293 -3.901 -7.869 1.00 1.76 C ATOM 0 H ALA A 39 7.611 -5.462 -8.457 1.00 1.55 H new ATOM 0 HA ALA A 39 7.645 -3.513 -6.455 1.00 1.66 H new ATOM 0 HB1 ALA A 39 9.914 -3.065 -7.547 1.00 1.76 H new ATOM 0 HB2 ALA A 39 9.615 -4.809 -7.360 1.00 1.76 H new ATOM 0 HB3 ALA A 39 9.393 -4.034 -8.946 1.00 1.76 H new ATOM 564 N ASN A 40 6.621 -2.230 -9.174 1.00 1.17 N ATOM 565 CA ASN A 40 6.030 -1.001 -9.689 1.00 1.08 C ATOM 566 C ASN A 40 4.505 -0.952 -9.500 1.00 0.87 C ATOM 567 O ASN A 40 4.006 0.074 -9.040 1.00 0.90 O ATOM 568 CB ASN A 40 6.492 -0.768 -11.134 1.00 1.35 C ATOM 569 CG ASN A 40 7.957 -0.385 -11.196 1.00 2.07 C ATOM 570 OD1 ASN A 40 8.306 0.785 -11.108 1.00 3.08 O ATOM 571 ND2 ASN A 40 8.856 -1.330 -11.327 1.00 2.76 N ATOM 0 H ASN A 40 6.358 -3.065 -9.697 1.00 1.17 H new ATOM 0 HA ASN A 40 6.393 -0.161 -9.097 1.00 1.08 H new ATOM 0 HB2 ASN A 40 6.327 -1.672 -11.720 1.00 1.35 H new ATOM 0 HB3 ASN A 40 5.890 0.020 -11.587 1.00 1.35 H new ATOM 0 HD21 ASN A 40 9.847 -1.091 -11.356 1.00 2.76 H new ATOM 0 HD22 ASN A 40 8.564 -2.305 -11.400 1.00 2.76 H new ATOM 578 N TRP A 41 3.756 -2.041 -9.752 1.00 0.81 N ATOM 579 CA TRP A 41 2.298 -2.055 -9.521 1.00 0.71 C ATOM 580 C TRP A 41 1.940 -1.716 -8.072 1.00 0.58 C ATOM 581 O TRP A 41 1.053 -0.893 -7.852 1.00 0.51 O ATOM 582 CB TRP A 41 1.655 -3.401 -9.884 1.00 0.73 C ATOM 583 CG TRP A 41 0.161 -3.420 -9.704 1.00 0.75 C ATOM 584 CD1 TRP A 41 -0.764 -3.007 -10.604 1.00 0.90 C ATOM 585 CD2 TRP A 41 -0.598 -3.769 -8.499 1.00 0.72 C ATOM 586 NE1 TRP A 41 -2.034 -3.162 -10.080 1.00 0.90 N ATOM 587 CE2 TRP A 41 -1.983 -3.543 -8.756 1.00 0.82 C ATOM 588 CE3 TRP A 41 -0.253 -4.214 -7.202 1.00 0.72 C ATOM 589 CZ2 TRP A 41 -2.965 -3.714 -7.772 1.00 0.89 C ATOM 590 CZ3 TRP A 41 -1.231 -4.372 -6.200 1.00 0.83 C ATOM 591 CH2 TRP A 41 -2.584 -4.110 -6.478 1.00 0.90 C ATOM 0 H TRP A 41 4.132 -2.918 -10.113 1.00 0.81 H new ATOM 0 HA TRP A 41 1.899 -1.285 -10.181 1.00 0.71 H new ATOM 0 HB2 TRP A 41 1.891 -3.640 -10.921 1.00 0.73 H new ATOM 0 HB3 TRP A 41 2.097 -4.184 -9.268 1.00 0.73 H new ATOM 0 HD1 TRP A 41 -0.542 -2.615 -11.585 1.00 0.90 H new ATOM 0 HE1 TRP A 41 -2.896 -3.014 -10.605 1.00 0.90 H new ATOM 0 HE3 TRP A 41 0.779 -4.437 -6.975 1.00 0.72 H new ATOM 0 HZ2 TRP A 41 -4.006 -3.543 -8.005 1.00 0.89 H new ATOM 0 HZ3 TRP A 41 -0.939 -4.696 -5.212 1.00 0.83 H new ATOM 0 HH2 TRP A 41 -3.327 -4.212 -5.701 1.00 0.90 H new ATOM 602 N LEU A 42 2.664 -2.275 -7.090 1.00 0.61 N ATOM 603 CA LEU A 42 2.423 -2.026 -5.666 1.00 0.56 C ATOM 604 C LEU A 42 2.421 -0.521 -5.352 1.00 0.51 C ATOM 605 O LEU A 42 1.573 -0.046 -4.597 1.00 0.54 O ATOM 606 CB LEU A 42 3.511 -2.769 -4.863 1.00 0.74 C ATOM 607 CG LEU A 42 3.492 -2.543 -3.341 1.00 1.19 C ATOM 608 CD1 LEU A 42 2.156 -2.922 -2.702 1.00 1.61 C ATOM 609 CD2 LEU A 42 4.593 -3.372 -2.677 1.00 1.94 C ATOM 0 H LEU A 42 3.437 -2.916 -7.266 1.00 0.61 H new ATOM 0 HA LEU A 42 1.437 -2.398 -5.386 1.00 0.56 H new ATOM 0 HB2 LEU A 42 3.411 -3.837 -5.054 1.00 0.74 H new ATOM 0 HB3 LEU A 42 4.487 -2.467 -5.244 1.00 0.74 H new ATOM 0 HG LEU A 42 3.654 -1.476 -3.185 1.00 1.19 H new ATOM 0 HD11 LEU A 42 2.202 -2.741 -1.628 1.00 1.61 H new ATOM 0 HD12 LEU A 42 1.360 -2.318 -3.138 1.00 1.61 H new ATOM 0 HD13 LEU A 42 1.952 -3.977 -2.884 1.00 1.61 H new ATOM 0 HD21 LEU A 42 4.573 -3.207 -1.600 1.00 1.94 H new ATOM 0 HD22 LEU A 42 4.428 -4.429 -2.885 1.00 1.94 H new ATOM 0 HD23 LEU A 42 5.563 -3.072 -3.072 1.00 1.94 H new ATOM 621 N VAL A 43 3.352 0.212 -5.966 1.00 0.58 N ATOM 622 CA VAL A 43 3.548 1.656 -5.792 1.00 0.67 C ATOM 623 C VAL A 43 2.480 2.458 -6.546 1.00 0.67 C ATOM 624 O VAL A 43 1.836 3.330 -5.955 1.00 0.92 O ATOM 625 CB VAL A 43 4.970 2.073 -6.225 1.00 0.83 C ATOM 626 CG1 VAL A 43 5.286 3.476 -5.704 1.00 1.26 C ATOM 627 CG2 VAL A 43 6.050 1.114 -5.688 1.00 0.96 C ATOM 0 H VAL A 43 4.016 -0.198 -6.623 1.00 0.58 H new ATOM 0 HA VAL A 43 3.439 1.883 -4.732 1.00 0.67 H new ATOM 0 HB VAL A 43 4.985 2.045 -7.315 1.00 0.83 H new ATOM 0 HG11 VAL A 43 6.291 3.762 -6.014 1.00 1.26 H new ATOM 0 HG12 VAL A 43 4.565 4.186 -6.110 1.00 1.26 H new ATOM 0 HG13 VAL A 43 5.227 3.482 -4.616 1.00 1.26 H new ATOM 0 HG21 VAL A 43 7.032 1.450 -6.020 1.00 0.96 H new ATOM 0 HG22 VAL A 43 6.019 1.104 -4.598 1.00 0.96 H new ATOM 0 HG23 VAL A 43 5.864 0.109 -6.065 1.00 0.96 H new ATOM 637 N ARG A 44 2.226 2.112 -7.819 1.00 0.56 N ATOM 638 CA ARG A 44 1.191 2.740 -8.664 1.00 0.61 C ATOM 639 C ARG A 44 -0.219 2.572 -8.090 1.00 0.72 C ATOM 640 O ARG A 44 -1.051 3.457 -8.285 1.00 1.12 O ATOM 641 CB ARG A 44 1.271 2.170 -10.092 1.00 0.71 C ATOM 642 CG ARG A 44 2.533 2.653 -10.830 1.00 2.13 C ATOM 643 CD ARG A 44 2.585 2.187 -12.291 1.00 2.54 C ATOM 644 NE ARG A 44 2.785 0.731 -12.417 1.00 4.10 N ATOM 645 CZ ARG A 44 1.850 -0.174 -12.757 1.00 4.95 C ATOM 646 NH1 ARG A 44 0.565 0.164 -12.944 1.00 4.60 N ATOM 647 NH2 ARG A 44 2.214 -1.455 -12.916 1.00 6.95 N ATOM 0 H ARG A 44 2.742 1.375 -8.300 1.00 0.56 H new ATOM 0 HA ARG A 44 1.389 3.812 -8.687 1.00 0.61 H new ATOM 0 HB2 ARG A 44 1.269 1.081 -10.049 1.00 0.71 H new ATOM 0 HB3 ARG A 44 0.385 2.468 -10.653 1.00 0.71 H new ATOM 0 HG2 ARG A 44 2.571 3.742 -10.800 1.00 2.13 H new ATOM 0 HG3 ARG A 44 3.416 2.288 -10.306 1.00 2.13 H new ATOM 0 HD2 ARG A 44 1.658 2.467 -12.791 1.00 2.54 H new ATOM 0 HD3 ARG A 44 3.393 2.707 -12.805 1.00 2.54 H new ATOM 0 HE ARG A 44 3.723 0.376 -12.228 1.00 4.10 H new ATOM 0 HH11 ARG A 44 0.271 1.134 -12.829 1.00 4.60 H new ATOM 0 HH12 ARG A 44 -0.118 -0.549 -13.201 1.00 4.60 H new ATOM 0 HH21 ARG A 44 3.187 -1.730 -12.779 1.00 6.95 H new ATOM 0 HH22 ARG A 44 1.518 -2.155 -13.174 1.00 6.95 H new ATOM 661 N TRP A 45 -0.477 1.478 -7.371 1.00 0.56 N ATOM 662 CA TRP A 45 -1.683 1.250 -6.572 1.00 0.61 C ATOM 663 C TRP A 45 -1.731 2.141 -5.327 1.00 0.66 C ATOM 664 O TRP A 45 -2.641 2.962 -5.186 1.00 0.82 O ATOM 665 CB TRP A 45 -1.748 -0.236 -6.182 1.00 0.62 C ATOM 666 CG TRP A 45 -2.601 -0.550 -4.991 1.00 0.63 C ATOM 667 CD1 TRP A 45 -2.133 -0.833 -3.754 1.00 0.88 C ATOM 668 CD2 TRP A 45 -4.057 -0.554 -4.876 1.00 0.62 C ATOM 669 NE1 TRP A 45 -3.195 -1.068 -2.902 1.00 0.97 N ATOM 670 CE2 TRP A 45 -4.407 -0.913 -3.542 1.00 0.82 C ATOM 671 CE3 TRP A 45 -5.115 -0.271 -5.760 1.00 0.67 C ATOM 672 CZ2 TRP A 45 -5.739 -1.036 -3.124 1.00 0.97 C ATOM 673 CZ3 TRP A 45 -6.457 -0.375 -5.353 1.00 0.88 C ATOM 674 CH2 TRP A 45 -6.772 -0.773 -4.041 1.00 0.99 C ATOM 0 H TRP A 45 0.175 0.695 -7.328 1.00 0.56 H new ATOM 0 HA TRP A 45 -2.551 1.515 -7.175 1.00 0.61 H new ATOM 0 HB2 TRP A 45 -2.122 -0.802 -7.035 1.00 0.62 H new ATOM 0 HB3 TRP A 45 -0.735 -0.587 -5.985 1.00 0.62 H new ATOM 0 HD1 TRP A 45 -1.090 -0.870 -3.475 1.00 0.88 H new ATOM 0 HE1 TRP A 45 -3.095 -1.325 -1.920 1.00 0.97 H new ATOM 0 HE3 TRP A 45 -4.891 0.032 -6.772 1.00 0.67 H new ATOM 0 HZ2 TRP A 45 -5.969 -1.329 -2.110 1.00 0.97 H new ATOM 0 HZ3 TRP A 45 -7.249 -0.148 -6.051 1.00 0.88 H new ATOM 0 HH2 TRP A 45 -7.804 -0.876 -3.739 1.00 0.99 H new ATOM 685 N LEU A 46 -0.755 2.000 -4.419 1.00 0.63 N ATOM 686 CA LEU A 46 -0.889 2.473 -3.032 1.00 0.88 C ATOM 687 C LEU A 46 -0.947 3.999 -2.888 1.00 1.02 C ATOM 688 O LEU A 46 -1.348 4.504 -1.839 1.00 1.34 O ATOM 689 CB LEU A 46 0.177 1.800 -2.143 1.00 1.04 C ATOM 690 CG LEU A 46 1.650 2.179 -2.382 1.00 1.43 C ATOM 691 CD1 LEU A 46 2.033 3.573 -1.899 1.00 2.34 C ATOM 692 CD2 LEU A 46 2.548 1.172 -1.658 1.00 2.02 C ATOM 0 H LEU A 46 0.142 1.559 -4.622 1.00 0.63 H new ATOM 0 HA LEU A 46 -1.870 2.161 -2.673 1.00 0.88 H new ATOM 0 HB2 LEU A 46 -0.063 2.024 -1.104 1.00 1.04 H new ATOM 0 HB3 LEU A 46 0.084 0.721 -2.266 1.00 1.04 H new ATOM 0 HG LEU A 46 1.786 2.167 -3.463 1.00 1.43 H new ATOM 0 HD11 LEU A 46 3.087 3.754 -2.108 1.00 2.34 H new ATOM 0 HD12 LEU A 46 1.428 4.317 -2.417 1.00 2.34 H new ATOM 0 HD13 LEU A 46 1.858 3.647 -0.826 1.00 2.34 H new ATOM 0 HD21 LEU A 46 3.593 1.433 -1.822 1.00 2.02 H new ATOM 0 HD22 LEU A 46 2.332 1.194 -0.590 1.00 2.02 H new ATOM 0 HD23 LEU A 46 2.359 0.171 -2.046 1.00 2.02 H new ATOM 704 N LYS A 47 -0.565 4.727 -3.942 1.00 0.93 N ATOM 705 CA LYS A 47 -0.630 6.186 -4.031 1.00 1.18 C ATOM 706 C LYS A 47 -2.060 6.717 -4.180 1.00 1.40 C ATOM 707 O LYS A 47 -2.348 7.803 -3.685 1.00 1.66 O ATOM 708 CB LYS A 47 0.256 6.605 -5.221 1.00 1.25 C ATOM 709 CG LYS A 47 0.489 8.122 -5.275 1.00 1.78 C ATOM 710 CD LYS A 47 1.506 8.453 -6.371 1.00 1.94 C ATOM 711 CE LYS A 47 1.838 9.945 -6.447 1.00 3.33 C ATOM 712 NZ LYS A 47 0.694 10.766 -6.920 1.00 5.01 N ATOM 0 H LYS A 47 -0.188 4.298 -4.787 1.00 0.93 H new ATOM 0 HA LYS A 47 -0.268 6.622 -3.100 1.00 1.18 H new ATOM 0 HB2 LYS A 47 1.217 6.095 -5.152 1.00 1.25 H new ATOM 0 HB3 LYS A 47 -0.211 6.279 -6.150 1.00 1.25 H new ATOM 0 HG2 LYS A 47 -0.452 8.637 -5.472 1.00 1.78 H new ATOM 0 HG3 LYS A 47 0.851 8.478 -4.311 1.00 1.78 H new ATOM 0 HD2 LYS A 47 2.422 7.891 -6.190 1.00 1.94 H new ATOM 0 HD3 LYS A 47 1.115 8.124 -7.334 1.00 1.94 H new ATOM 0 HE2 LYS A 47 2.147 10.294 -5.462 1.00 3.33 H new ATOM 0 HE3 LYS A 47 2.685 10.090 -7.117 1.00 3.33 H new ATOM 0 HZ1 LYS A 47 0.975 11.767 -6.952 1.00 5.01 H new ATOM 0 HZ2 LYS A 47 0.413 10.454 -7.872 1.00 5.01 H new ATOM 0 HZ3 LYS A 47 -0.108 10.652 -6.268 1.00 5.01 H new ATOM 726 N VAL A 48 -2.925 5.986 -4.894 1.00 1.33 N ATOM 727 CA VAL A 48 -4.132 6.536 -5.551 1.00 1.28 C ATOM 728 C VAL A 48 -5.253 5.483 -5.789 1.00 1.06 C ATOM 729 O VAL A 48 -5.896 5.474 -6.842 1.00 1.20 O ATOM 730 CB VAL A 48 -3.651 7.248 -6.843 1.00 1.34 C ATOM 731 CG1 VAL A 48 -3.227 6.285 -7.959 1.00 1.56 C ATOM 732 CG2 VAL A 48 -4.624 8.307 -7.366 1.00 2.14 C ATOM 0 H VAL A 48 -2.811 4.983 -5.037 1.00 1.33 H new ATOM 0 HA VAL A 48 -4.624 7.252 -4.893 1.00 1.28 H new ATOM 0 HB VAL A 48 -2.753 7.778 -6.525 1.00 1.34 H new ATOM 0 HG11 VAL A 48 -2.904 6.856 -8.829 1.00 1.56 H new ATOM 0 HG12 VAL A 48 -2.405 5.661 -7.608 1.00 1.56 H new ATOM 0 HG13 VAL A 48 -4.071 5.652 -8.234 1.00 1.56 H new ATOM 0 HG21 VAL A 48 -4.218 8.759 -8.271 1.00 2.14 H new ATOM 0 HG22 VAL A 48 -5.582 7.840 -7.593 1.00 2.14 H new ATOM 0 HG23 VAL A 48 -4.766 9.077 -6.608 1.00 2.14 H new ATOM 742 N PRO A 49 -5.541 4.565 -4.842 1.00 0.87 N ATOM 743 CA PRO A 49 -6.375 3.372 -5.083 1.00 0.69 C ATOM 744 C PRO A 49 -7.807 3.675 -5.559 1.00 0.73 C ATOM 745 O PRO A 49 -8.340 2.950 -6.400 1.00 0.82 O ATOM 746 CB PRO A 49 -6.399 2.637 -3.736 1.00 0.87 C ATOM 747 CG PRO A 49 -6.205 3.770 -2.732 1.00 1.16 C ATOM 748 CD PRO A 49 -5.166 4.626 -3.438 1.00 1.08 C ATOM 0 HA PRO A 49 -5.951 2.786 -5.898 1.00 0.69 H new ATOM 0 HB2 PRO A 49 -7.341 2.113 -3.578 1.00 0.87 H new ATOM 0 HB3 PRO A 49 -5.605 1.894 -3.666 1.00 0.87 H new ATOM 0 HG2 PRO A 49 -7.130 4.317 -2.547 1.00 1.16 H new ATOM 0 HG3 PRO A 49 -5.851 3.407 -1.767 1.00 1.16 H new ATOM 0 HD2 PRO A 49 -5.178 5.651 -3.068 1.00 1.08 H new ATOM 0 HD3 PRO A 49 -4.159 4.241 -3.279 1.00 1.08 H new ATOM 756 N ASP A 50 -8.418 4.778 -5.104 1.00 0.96 N ATOM 757 CA ASP A 50 -9.755 5.193 -5.557 1.00 1.05 C ATOM 758 C ASP A 50 -9.796 5.556 -7.055 1.00 1.04 C ATOM 759 O ASP A 50 -10.853 5.462 -7.682 1.00 1.20 O ATOM 760 CB ASP A 50 -10.259 6.374 -4.712 1.00 1.31 C ATOM 761 CG ASP A 50 -11.765 6.576 -4.910 1.00 1.80 C ATOM 762 OD1 ASP A 50 -12.527 5.717 -4.411 1.00 2.89 O ATOM 763 OD2 ASP A 50 -12.195 7.549 -5.579 1.00 2.22 O ATOM 0 H ASP A 50 -8.003 5.405 -4.415 1.00 0.96 H new ATOM 0 HA ASP A 50 -10.414 4.335 -5.422 1.00 1.05 H new ATOM 0 HB2 ASP A 50 -10.047 6.191 -3.659 1.00 1.31 H new ATOM 0 HB3 ASP A 50 -9.725 7.282 -4.992 1.00 1.31 H new ATOM 768 N GLN A 51 -8.661 5.950 -7.641 1.00 1.02 N ATOM 769 CA GLN A 51 -8.505 6.127 -9.082 1.00 1.04 C ATOM 770 C GLN A 51 -8.164 4.799 -9.773 1.00 0.94 C ATOM 771 O GLN A 51 -8.645 4.557 -10.875 1.00 0.96 O ATOM 772 CB GLN A 51 -7.433 7.189 -9.357 1.00 1.17 C ATOM 773 CG GLN A 51 -7.538 7.748 -10.779 1.00 1.43 C ATOM 774 CD GLN A 51 -6.387 8.693 -11.095 1.00 1.81 C ATOM 775 OE1 GLN A 51 -6.481 9.912 -10.962 1.00 2.23 O ATOM 776 NE2 GLN A 51 -5.251 8.158 -11.486 1.00 2.78 N ATOM 0 H GLN A 51 -7.812 6.158 -7.115 1.00 1.02 H new ATOM 0 HA GLN A 51 -9.453 6.469 -9.498 1.00 1.04 H new ATOM 0 HB2 GLN A 51 -7.534 8.002 -8.638 1.00 1.17 H new ATOM 0 HB3 GLN A 51 -6.444 6.754 -9.209 1.00 1.17 H new ATOM 0 HG2 GLN A 51 -7.542 6.926 -11.495 1.00 1.43 H new ATOM 0 HG3 GLN A 51 -8.485 8.275 -10.894 1.00 1.43 H new ATOM 0 HE21 GLN A 51 -5.175 7.147 -11.596 1.00 2.78 H new ATOM 0 HE22 GLN A 51 -4.446 8.754 -11.679 1.00 2.78 H new ATOM 785 N MET A 52 -7.417 3.891 -9.129 1.00 0.87 N ATOM 786 CA MET A 52 -7.096 2.593 -9.734 1.00 0.74 C ATOM 787 C MET A 52 -8.337 1.695 -9.916 1.00 0.63 C ATOM 788 O MET A 52 -8.492 1.050 -10.957 1.00 0.63 O ATOM 789 CB MET A 52 -5.979 1.880 -8.955 1.00 0.64 C ATOM 790 CG MET A 52 -5.585 0.609 -9.719 1.00 1.45 C ATOM 791 SD MET A 52 -4.045 -0.227 -9.266 1.00 2.17 S ATOM 792 CE MET A 52 -2.838 0.921 -9.966 1.00 1.17 C ATOM 0 H MET A 52 -7.027 4.031 -8.197 1.00 0.87 H new ATOM 0 HA MET A 52 -6.724 2.796 -10.738 1.00 0.74 H new ATOM 0 HB2 MET A 52 -5.117 2.537 -8.843 1.00 0.64 H new ATOM 0 HB3 MET A 52 -6.320 1.628 -7.951 1.00 0.64 H new ATOM 0 HG2 MET A 52 -6.397 -0.109 -9.609 1.00 1.45 H new ATOM 0 HG3 MET A 52 -5.526 0.863 -10.777 1.00 1.45 H new ATOM 0 HE1 MET A 52 -1.831 0.552 -9.774 1.00 1.17 H new ATOM 0 HE2 MET A 52 -2.995 1.003 -11.041 1.00 1.17 H new ATOM 0 HE3 MET A 52 -2.959 1.902 -9.506 1.00 1.17 H new ATOM 802 N LEU A 53 -9.265 1.693 -8.953 1.00 0.65 N ATOM 803 CA LEU A 53 -10.570 1.029 -9.108 1.00 0.64 C ATOM 804 C LEU A 53 -11.505 1.771 -10.085 1.00 0.69 C ATOM 805 O LEU A 53 -12.425 1.156 -10.619 1.00 0.80 O ATOM 806 CB LEU A 53 -11.225 0.807 -7.733 1.00 0.79 C ATOM 807 CG LEU A 53 -10.472 -0.183 -6.822 1.00 1.23 C ATOM 808 CD1 LEU A 53 -11.106 -0.186 -5.431 1.00 1.83 C ATOM 809 CD2 LEU A 53 -10.470 -1.627 -7.338 1.00 2.23 C ATOM 0 H LEU A 53 -9.137 2.148 -8.049 1.00 0.65 H new ATOM 0 HA LEU A 53 -10.390 0.054 -9.560 1.00 0.64 H new ATOM 0 HB2 LEU A 53 -11.302 1.766 -7.221 1.00 0.79 H new ATOM 0 HB3 LEU A 53 -12.242 0.443 -7.883 1.00 0.79 H new ATOM 0 HG LEU A 53 -9.438 0.163 -6.802 1.00 1.23 H new ATOM 0 HD11 LEU A 53 -10.572 -0.887 -4.789 1.00 1.83 H new ATOM 0 HD12 LEU A 53 -11.048 0.815 -5.003 1.00 1.83 H new ATOM 0 HD13 LEU A 53 -12.150 -0.488 -5.508 1.00 1.83 H new ATOM 0 HD21 LEU A 53 -9.921 -2.261 -6.642 1.00 2.23 H new ATOM 0 HD22 LEU A 53 -11.496 -1.985 -7.423 1.00 2.23 H new ATOM 0 HD23 LEU A 53 -9.991 -1.663 -8.317 1.00 2.23 H new ATOM 821 N ALA A 54 -11.267 3.058 -10.367 1.00 0.69 N ATOM 822 CA ALA A 54 -11.968 3.797 -11.424 1.00 0.79 C ATOM 823 C ALA A 54 -11.401 3.495 -12.828 1.00 0.83 C ATOM 824 O ALA A 54 -12.167 3.311 -13.776 1.00 0.97 O ATOM 825 CB ALA A 54 -11.952 5.297 -11.104 1.00 0.89 C ATOM 0 H ALA A 54 -10.579 3.619 -9.865 1.00 0.69 H new ATOM 0 HA ALA A 54 -13.004 3.459 -11.447 1.00 0.79 H new ATOM 0 HB1 ALA A 54 -12.473 5.842 -11.891 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -12.450 5.471 -10.150 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -10.921 5.645 -11.043 1.00 0.89 H new ATOM 831 N GLU A 55 -10.075 3.373 -12.981 1.00 0.83 N ATOM 832 CA GLU A 55 -9.433 2.916 -14.228 1.00 0.92 C ATOM 833 C GLU A 55 -9.657 1.416 -14.495 1.00 0.96 C ATOM 834 O GLU A 55 -9.331 0.932 -15.584 1.00 1.18 O ATOM 835 CB GLU A 55 -7.933 3.297 -14.280 1.00 0.98 C ATOM 836 CG GLU A 55 -6.936 2.281 -13.695 1.00 1.53 C ATOM 837 CD GLU A 55 -5.507 2.536 -14.184 1.00 1.96 C ATOM 838 OE1 GLU A 55 -4.765 3.328 -13.548 1.00 2.84 O ATOM 839 OE2 GLU A 55 -5.132 1.938 -15.223 1.00 2.46 O ATOM 0 H GLU A 55 -9.410 3.590 -12.239 1.00 0.83 H new ATOM 0 HA GLU A 55 -9.927 3.448 -15.041 1.00 0.92 H new ATOM 0 HB2 GLU A 55 -7.664 3.475 -15.321 1.00 0.98 H new ATOM 0 HB3 GLU A 55 -7.804 4.242 -13.751 1.00 0.98 H new ATOM 0 HG2 GLU A 55 -6.962 2.333 -12.607 1.00 1.53 H new ATOM 0 HG3 GLU A 55 -7.240 1.272 -13.974 1.00 1.53 H new ATOM 846 N LYS A 56 -10.191 0.692 -13.500 1.00 0.97 N ATOM 847 CA LYS A 56 -10.465 -0.751 -13.491 1.00 1.00 C ATOM 848 C LYS A 56 -9.253 -1.569 -13.946 1.00 0.95 C ATOM 849 O LYS A 56 -9.327 -2.361 -14.885 1.00 1.45 O ATOM 850 CB LYS A 56 -11.797 -1.060 -14.204 1.00 1.44 C ATOM 851 CG LYS A 56 -12.973 -0.439 -13.428 1.00 2.34 C ATOM 852 CD LYS A 56 -14.351 -0.855 -13.955 1.00 2.99 C ATOM 853 CE LYS A 56 -15.413 -0.430 -12.930 1.00 4.33 C ATOM 854 NZ LYS A 56 -16.749 -0.976 -13.256 1.00 5.03 N ATOM 0 H LYS A 56 -10.461 1.131 -12.620 1.00 0.97 H new ATOM 0 HA LYS A 56 -10.618 -1.083 -12.464 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -11.774 -0.666 -15.220 1.00 1.44 H new ATOM 0 HB3 LYS A 56 -11.934 -2.138 -14.284 1.00 1.44 H new ATOM 0 HG2 LYS A 56 -12.895 -0.724 -12.379 1.00 2.34 H new ATOM 0 HG3 LYS A 56 -12.891 0.647 -13.470 1.00 2.34 H new ATOM 0 HD2 LYS A 56 -14.546 -0.385 -14.919 1.00 2.99 H new ATOM 0 HD3 LYS A 56 -14.387 -1.933 -14.113 1.00 2.99 H new ATOM 0 HE2 LYS A 56 -15.115 -0.769 -11.938 1.00 4.33 H new ATOM 0 HE3 LYS A 56 -15.465 0.658 -12.893 1.00 4.33 H new ATOM 0 HZ1 LYS A 56 -17.435 -0.665 -12.539 1.00 5.03 H new ATOM 0 HZ2 LYS A 56 -17.046 -0.632 -14.192 1.00 5.03 H new ATOM 0 HZ3 LYS A 56 -16.706 -2.015 -13.267 1.00 5.03 H new ATOM 868 N ASP A 57 -8.138 -1.362 -13.246 1.00 0.82 N ATOM 869 CA ASP A 57 -6.940 -2.197 -13.309 1.00 0.87 C ATOM 870 C ASP A 57 -7.257 -3.497 -12.573 1.00 0.86 C ATOM 871 O ASP A 57 -7.471 -3.512 -11.356 1.00 0.88 O ATOM 872 CB ASP A 57 -5.730 -1.474 -12.709 1.00 0.97 C ATOM 873 CG ASP A 57 -4.456 -2.261 -13.006 1.00 1.26 C ATOM 874 OD1 ASP A 57 -3.902 -2.084 -14.119 1.00 2.21 O ATOM 875 OD2 ASP A 57 -4.046 -3.109 -12.186 1.00 2.22 O ATOM 0 H ASP A 57 -8.041 -0.581 -12.597 1.00 0.82 H new ATOM 0 HA ASP A 57 -6.672 -2.414 -14.343 1.00 0.87 H new ATOM 0 HB2 ASP A 57 -5.653 -0.469 -13.125 1.00 0.97 H new ATOM 0 HB3 ASP A 57 -5.858 -1.365 -11.632 1.00 0.97 H new ATOM 880 N PRO A 58 -7.407 -4.595 -13.319 1.00 0.91 N ATOM 881 CA PRO A 58 -8.225 -5.720 -12.886 1.00 1.02 C ATOM 882 C PRO A 58 -7.598 -6.553 -11.767 1.00 1.11 C ATOM 883 O PRO A 58 -8.310 -7.253 -11.048 1.00 1.82 O ATOM 884 CB PRO A 58 -8.433 -6.495 -14.171 1.00 1.16 C ATOM 885 CG PRO A 58 -7.165 -6.230 -14.980 1.00 1.10 C ATOM 886 CD PRO A 58 -6.980 -4.758 -14.702 1.00 0.96 C ATOM 0 HA PRO A 58 -9.159 -5.402 -12.423 1.00 1.02 H new ATOM 0 HB2 PRO A 58 -8.566 -7.559 -13.977 1.00 1.16 H new ATOM 0 HB3 PRO A 58 -9.322 -6.154 -14.702 1.00 1.16 H new ATOM 0 HG2 PRO A 58 -6.320 -6.828 -14.638 1.00 1.10 H new ATOM 0 HG3 PRO A 58 -7.296 -6.440 -16.041 1.00 1.10 H new ATOM 0 HD2 PRO A 58 -5.941 -4.456 -14.836 1.00 0.96 H new ATOM 0 HD3 PRO A 58 -7.579 -4.147 -15.378 1.00 0.96 H new ATOM 894 N LEU A 59 -6.284 -6.414 -11.587 1.00 0.87 N ATOM 895 CA LEU A 59 -5.543 -6.918 -10.427 1.00 0.90 C ATOM 896 C LEU A 59 -6.104 -6.319 -9.124 1.00 0.75 C ATOM 897 O LEU A 59 -6.452 -7.073 -8.221 1.00 0.84 O ATOM 898 CB LEU A 59 -4.037 -6.628 -10.617 1.00 1.05 C ATOM 899 CG LEU A 59 -3.026 -7.480 -9.818 1.00 1.32 C ATOM 900 CD1 LEU A 59 -3.234 -7.489 -8.307 1.00 1.73 C ATOM 901 CD2 LEU A 59 -3.006 -8.930 -10.306 1.00 1.85 C ATOM 0 H LEU A 59 -5.688 -5.935 -12.262 1.00 0.87 H new ATOM 0 HA LEU A 59 -5.666 -7.998 -10.347 1.00 0.90 H new ATOM 0 HB2 LEU A 59 -3.806 -6.743 -11.676 1.00 1.05 H new ATOM 0 HB3 LEU A 59 -3.864 -5.582 -10.365 1.00 1.05 H new ATOM 0 HG LEU A 59 -2.072 -6.987 -10.007 1.00 1.32 H new ATOM 0 HD11 LEU A 59 -2.474 -8.115 -7.839 1.00 1.73 H new ATOM 0 HD12 LEU A 59 -3.154 -6.472 -7.923 1.00 1.73 H new ATOM 0 HD13 LEU A 59 -4.223 -7.887 -8.078 1.00 1.73 H new ATOM 0 HD21 LEU A 59 -2.284 -9.501 -9.722 1.00 1.85 H new ATOM 0 HD22 LEU A 59 -3.997 -9.368 -10.186 1.00 1.85 H new ATOM 0 HD23 LEU A 59 -2.723 -8.956 -11.358 1.00 1.85 H new ATOM 913 N ALA A 60 -6.312 -4.999 -9.037 1.00 0.64 N ATOM 914 CA ALA A 60 -6.947 -4.410 -7.851 1.00 0.60 C ATOM 915 C ALA A 60 -8.405 -4.868 -7.686 1.00 0.68 C ATOM 916 O ALA A 60 -8.858 -5.168 -6.580 1.00 0.77 O ATOM 917 CB ALA A 60 -6.922 -2.889 -7.919 1.00 0.60 C ATOM 0 H ALA A 60 -6.055 -4.328 -9.761 1.00 0.64 H new ATOM 0 HA ALA A 60 -6.371 -4.756 -6.993 1.00 0.60 H new ATOM 0 HB1 ALA A 60 -7.398 -2.477 -7.029 1.00 0.60 H new ATOM 0 HB2 ALA A 60 -5.889 -2.544 -7.971 1.00 0.60 H new ATOM 0 HB3 ALA A 60 -7.461 -2.556 -8.806 1.00 0.60 H new ATOM 923 N MET A 61 -9.126 -4.957 -8.812 1.00 0.72 N ATOM 924 CA MET A 61 -10.538 -5.345 -8.867 1.00 0.80 C ATOM 925 C MET A 61 -10.795 -6.769 -8.340 1.00 0.92 C ATOM 926 O MET A 61 -11.923 -7.064 -7.940 1.00 1.09 O ATOM 927 CB MET A 61 -11.059 -5.233 -10.308 1.00 0.91 C ATOM 928 CG MET A 61 -10.884 -3.858 -10.969 1.00 0.79 C ATOM 929 SD MET A 61 -11.899 -2.518 -10.303 1.00 1.54 S ATOM 930 CE MET A 61 -13.539 -3.144 -10.728 1.00 1.70 C ATOM 0 H MET A 61 -8.732 -4.756 -9.731 1.00 0.72 H new ATOM 0 HA MET A 61 -11.074 -4.657 -8.213 1.00 0.80 H new ATOM 0 HB2 MET A 61 -10.549 -5.978 -10.919 1.00 0.91 H new ATOM 0 HB3 MET A 61 -12.119 -5.487 -10.313 1.00 0.91 H new ATOM 0 HG2 MET A 61 -9.836 -3.568 -10.886 1.00 0.79 H new ATOM 0 HG3 MET A 61 -11.103 -3.958 -12.032 1.00 0.79 H new ATOM 0 HE1 MET A 61 -14.280 -2.360 -10.569 1.00 1.70 H new ATOM 0 HE2 MET A 61 -13.552 -3.449 -11.774 1.00 1.70 H new ATOM 0 HE3 MET A 61 -13.776 -4.001 -10.097 1.00 1.70 H new ATOM 940 N LEU A 62 -9.770 -7.634 -8.314 1.00 0.90 N ATOM 941 CA LEU A 62 -9.787 -8.917 -7.607 1.00 0.99 C ATOM 942 C LEU A 62 -9.762 -8.756 -6.086 1.00 0.91 C ATOM 943 O LEU A 62 -10.519 -9.432 -5.393 1.00 1.16 O ATOM 944 CB LEU A 62 -8.534 -9.738 -7.943 1.00 1.08 C ATOM 945 CG LEU A 62 -8.463 -10.321 -9.362 1.00 2.05 C ATOM 946 CD1 LEU A 62 -7.068 -10.886 -9.605 1.00 3.26 C ATOM 947 CD2 LEU A 62 -9.470 -11.451 -9.571 1.00 2.48 C ATOM 0 H LEU A 62 -8.889 -7.454 -8.795 1.00 0.90 H new ATOM 0 HA LEU A 62 -10.708 -9.404 -7.927 1.00 0.99 H new ATOM 0 HB2 LEU A 62 -7.659 -9.106 -7.789 1.00 1.08 H new ATOM 0 HB3 LEU A 62 -8.463 -10.560 -7.231 1.00 1.08 H new ATOM 0 HG LEU A 62 -8.695 -9.513 -10.056 1.00 2.05 H new ATOM 0 HD11 LEU A 62 -7.014 -11.301 -10.611 1.00 3.26 H new ATOM 0 HD12 LEU A 62 -6.330 -10.091 -9.500 1.00 3.26 H new ATOM 0 HD13 LEU A 62 -6.862 -11.671 -8.877 1.00 3.26 H new ATOM 0 HD21 LEU A 62 -9.383 -11.832 -10.588 1.00 2.48 H new ATOM 0 HD22 LEU A 62 -9.267 -12.255 -8.864 1.00 2.48 H new ATOM 0 HD23 LEU A 62 -10.480 -11.073 -9.410 1.00 2.48 H new ATOM 959 N LEU A 63 -8.826 -7.948 -5.573 1.00 0.78 N ATOM 960 CA LEU A 63 -8.401 -8.028 -4.171 1.00 0.96 C ATOM 961 C LEU A 63 -9.463 -7.422 -3.275 1.00 1.11 C ATOM 962 O LEU A 63 -9.974 -8.044 -2.349 1.00 1.53 O ATOM 963 CB LEU A 63 -7.107 -7.230 -3.966 1.00 1.05 C ATOM 964 CG LEU A 63 -5.923 -7.654 -4.836 1.00 1.95 C ATOM 965 CD1 LEU A 63 -4.967 -6.472 -4.848 1.00 2.41 C ATOM 966 CD2 LEU A 63 -5.266 -8.918 -4.296 1.00 3.32 C ATOM 0 H LEU A 63 -8.346 -7.227 -6.112 1.00 0.78 H new ATOM 0 HA LEU A 63 -8.243 -9.077 -3.922 1.00 0.96 H new ATOM 0 HB2 LEU A 63 -7.316 -6.178 -4.157 1.00 1.05 H new ATOM 0 HB3 LEU A 63 -6.813 -7.312 -2.920 1.00 1.05 H new ATOM 0 HG LEU A 63 -6.239 -7.903 -5.849 1.00 1.95 H new ATOM 0 HD11 LEU A 63 -4.096 -6.715 -5.457 1.00 2.41 H new ATOM 0 HD12 LEU A 63 -5.471 -5.601 -5.267 1.00 2.41 H new ATOM 0 HD13 LEU A 63 -4.648 -6.252 -3.829 1.00 2.41 H new ATOM 0 HD21 LEU A 63 -4.428 -9.194 -4.936 1.00 3.32 H new ATOM 0 HD22 LEU A 63 -4.905 -8.737 -3.284 1.00 3.32 H new ATOM 0 HD23 LEU A 63 -5.994 -9.729 -4.282 1.00 3.32 H new ATOM 978 N PHE A 64 -9.803 -6.186 -3.625 1.00 0.83 N ATOM 979 CA PHE A 64 -10.737 -5.377 -2.827 1.00 0.89 C ATOM 980 C PHE A 64 -12.121 -6.065 -2.705 1.00 1.00 C ATOM 981 O PHE A 64 -12.773 -6.011 -1.661 1.00 1.24 O ATOM 982 CB PHE A 64 -10.798 -3.938 -3.376 1.00 0.79 C ATOM 983 CG PHE A 64 -12.093 -3.580 -4.073 1.00 0.74 C ATOM 984 CD1 PHE A 64 -12.332 -4.011 -5.389 1.00 2.10 C ATOM 985 CD2 PHE A 64 -13.090 -2.877 -3.371 1.00 1.55 C ATOM 986 CE1 PHE A 64 -13.575 -3.757 -5.997 1.00 2.20 C ATOM 987 CE2 PHE A 64 -14.329 -2.614 -3.979 1.00 1.52 C ATOM 988 CZ PHE A 64 -14.576 -3.066 -5.287 1.00 0.93 C ATOM 0 H PHE A 64 -9.448 -5.715 -4.457 1.00 0.83 H new ATOM 0 HA PHE A 64 -10.366 -5.302 -1.805 1.00 0.89 H new ATOM 0 HB2 PHE A 64 -10.641 -3.242 -2.552 1.00 0.79 H new ATOM 0 HB3 PHE A 64 -9.974 -3.795 -4.075 1.00 0.79 H new ATOM 0 HD1 PHE A 64 -11.562 -4.537 -5.933 1.00 2.10 H new ATOM 0 HD2 PHE A 64 -12.902 -2.539 -2.363 1.00 1.55 H new ATOM 0 HE1 PHE A 64 -13.761 -4.091 -7.007 1.00 2.20 H new ATOM 0 HE2 PHE A 64 -15.090 -2.066 -3.443 1.00 1.52 H new ATOM 0 HZ PHE A 64 -15.535 -2.883 -5.748 1.00 0.93 H new ATOM 998 N GLU A 65 -12.522 -6.809 -3.740 1.00 0.96 N ATOM 999 CA GLU A 65 -13.722 -7.623 -3.853 1.00 1.29 C ATOM 1000 C GLU A 65 -13.735 -8.845 -2.901 1.00 1.43 C ATOM 1001 O GLU A 65 -14.814 -9.317 -2.532 1.00 1.90 O ATOM 1002 CB GLU A 65 -13.750 -7.997 -5.343 1.00 1.51 C ATOM 1003 CG GLU A 65 -14.992 -8.737 -5.799 1.00 1.77 C ATOM 1004 CD GLU A 65 -14.920 -9.060 -7.298 1.00 2.61 C ATOM 1005 OE1 GLU A 65 -14.073 -9.899 -7.686 1.00 3.75 O ATOM 1006 OE2 GLU A 65 -15.711 -8.506 -8.106 1.00 3.33 O ATOM 0 H GLU A 65 -11.962 -6.857 -4.591 1.00 0.96 H new ATOM 0 HA GLU A 65 -14.621 -7.091 -3.541 1.00 1.29 H new ATOM 0 HB2 GLU A 65 -13.653 -7.085 -5.932 1.00 1.51 H new ATOM 0 HB3 GLU A 65 -12.878 -8.613 -5.563 1.00 1.51 H new ATOM 0 HG2 GLU A 65 -15.100 -9.660 -5.229 1.00 1.77 H new ATOM 0 HG3 GLU A 65 -15.876 -8.132 -5.596 1.00 1.77 H new ATOM 1013 N GLN A 66 -12.564 -9.312 -2.442 1.00 1.17 N ATOM 1014 CA GLN A 66 -12.393 -10.321 -1.376 1.00 1.26 C ATOM 1015 C GLN A 66 -12.036 -9.719 0.002 1.00 1.20 C ATOM 1016 O GLN A 66 -11.997 -10.436 1.007 1.00 1.32 O ATOM 1017 CB GLN A 66 -11.352 -11.377 -1.787 1.00 1.52 C ATOM 1018 CG GLN A 66 -11.654 -12.088 -3.115 1.00 2.23 C ATOM 1019 CD GLN A 66 -13.045 -12.720 -3.178 1.00 3.27 C ATOM 1020 OE1 GLN A 66 -13.502 -13.419 -2.281 1.00 3.84 O ATOM 1021 NE2 GLN A 66 -13.772 -12.540 -4.256 1.00 4.41 N ATOM 0 H GLN A 66 -11.672 -8.987 -2.816 1.00 1.17 H new ATOM 0 HA GLN A 66 -13.367 -10.796 -1.257 1.00 1.26 H new ATOM 0 HB2 GLN A 66 -10.376 -10.897 -1.860 1.00 1.52 H new ATOM 0 HB3 GLN A 66 -11.281 -12.125 -0.997 1.00 1.52 H new ATOM 0 HG2 GLN A 66 -11.554 -11.371 -3.930 1.00 2.23 H new ATOM 0 HG3 GLN A 66 -10.906 -12.863 -3.279 1.00 2.23 H new ATOM 0 HE21 GLN A 66 -13.418 -11.963 -5.019 1.00 4.41 H new ATOM 0 HE22 GLN A 66 -14.691 -12.977 -4.330 1.00 4.41 H new ATOM 1030 N TYR A 67 -11.822 -8.401 0.070 1.00 1.20 N ATOM 1031 CA TYR A 67 -11.641 -7.614 1.296 1.00 1.32 C ATOM 1032 C TYR A 67 -12.922 -6.847 1.692 1.00 1.46 C ATOM 1033 O TYR A 67 -12.890 -5.677 2.089 1.00 1.80 O ATOM 1034 CB TYR A 67 -10.378 -6.737 1.180 1.00 1.40 C ATOM 1035 CG TYR A 67 -9.050 -7.485 1.167 1.00 1.30 C ATOM 1036 CD1 TYR A 67 -8.774 -8.413 2.189 1.00 2.00 C ATOM 1037 CD2 TYR A 67 -8.065 -7.219 0.189 1.00 2.22 C ATOM 1038 CE1 TYR A 67 -7.539 -9.084 2.221 1.00 2.10 C ATOM 1039 CE2 TYR A 67 -6.819 -7.886 0.224 1.00 2.19 C ATOM 1040 CZ TYR A 67 -6.557 -8.826 1.246 1.00 1.38 C ATOM 1041 OH TYR A 67 -5.362 -9.471 1.331 1.00 1.57 O ATOM 0 H TYR A 67 -11.767 -7.825 -0.770 1.00 1.20 H new ATOM 0 HA TYR A 67 -11.470 -8.291 2.133 1.00 1.32 H new ATOM 0 HB2 TYR A 67 -10.450 -6.148 0.266 1.00 1.40 H new ATOM 0 HB3 TYR A 67 -10.369 -6.034 2.013 1.00 1.40 H new ATOM 0 HD1 TYR A 67 -9.513 -8.610 2.951 1.00 2.00 H new ATOM 0 HD2 TYR A 67 -8.266 -6.500 -0.592 1.00 2.22 H new ATOM 0 HE1 TYR A 67 -7.342 -9.804 3.001 1.00 2.10 H new ATOM 0 HE2 TYR A 67 -6.071 -7.678 -0.527 1.00 2.19 H new ATOM 0 HH TYR A 67 -4.786 -9.192 0.588 1.00 1.57 H new ATOM 1051 N ASN A 68 -14.079 -7.515 1.593 1.00 1.48 N ATOM 1052 CA ASN A 68 -15.414 -7.017 1.957 1.00 1.64 C ATOM 1053 C ASN A 68 -15.862 -5.764 1.172 1.00 1.53 C ATOM 1054 O ASN A 68 -16.711 -5.000 1.636 1.00 1.68 O ATOM 1055 CB ASN A 68 -15.484 -6.879 3.490 1.00 1.85 C ATOM 1056 CG ASN A 68 -16.877 -6.913 4.089 1.00 2.48 C ATOM 1057 OD1 ASN A 68 -17.863 -7.350 3.499 1.00 3.07 O ATOM 1058 ND2 ASN A 68 -16.971 -6.506 5.333 1.00 2.65 N ATOM 0 H ASN A 68 -14.111 -8.470 1.237 1.00 1.48 H new ATOM 0 HA ASN A 68 -16.159 -7.749 1.645 1.00 1.64 H new ATOM 0 HB2 ASN A 68 -14.897 -7.682 3.936 1.00 1.85 H new ATOM 0 HB3 ASN A 68 -15.009 -5.940 3.774 1.00 1.85 H new ATOM 0 HD21 ASN A 68 -17.867 -6.551 5.818 1.00 2.65 H new ATOM 0 HD22 ASN A 68 -16.148 -6.145 5.815 1.00 2.65 H new ATOM 1065 N ARG A 69 -15.269 -5.535 -0.012 1.00 1.32 N ATOM 1066 CA ARG A 69 -15.438 -4.333 -0.855 1.00 1.19 C ATOM 1067 C ARG A 69 -15.108 -3.009 -0.142 1.00 1.03 C ATOM 1068 O ARG A 69 -15.587 -1.952 -0.560 1.00 1.58 O ATOM 1069 CB ARG A 69 -16.829 -4.323 -1.530 1.00 1.50 C ATOM 1070 CG ARG A 69 -17.137 -5.588 -2.347 1.00 1.80 C ATOM 1071 CD ARG A 69 -18.535 -5.487 -2.968 1.00 1.91 C ATOM 1072 NE ARG A 69 -18.905 -6.721 -3.678 1.00 3.09 N ATOM 1073 CZ ARG A 69 -18.639 -7.005 -4.967 1.00 4.04 C ATOM 1074 NH1 ARG A 69 -17.975 -6.150 -5.760 1.00 4.23 N ATOM 1075 NH2 ARG A 69 -19.050 -8.177 -5.472 1.00 5.57 N ATOM 0 H ARG A 69 -14.629 -6.212 -0.429 1.00 1.32 H new ATOM 0 HA ARG A 69 -14.686 -4.403 -1.641 1.00 1.19 H new ATOM 0 HB2 ARG A 69 -17.593 -4.204 -0.762 1.00 1.50 H new ATOM 0 HB3 ARG A 69 -16.897 -3.454 -2.185 1.00 1.50 H new ATOM 0 HG2 ARG A 69 -16.391 -5.714 -3.131 1.00 1.80 H new ATOM 0 HG3 ARG A 69 -17.078 -6.468 -1.706 1.00 1.80 H new ATOM 0 HD2 ARG A 69 -19.267 -5.284 -2.186 1.00 1.91 H new ATOM 0 HD3 ARG A 69 -18.566 -4.646 -3.660 1.00 1.91 H new ATOM 0 HE ARG A 69 -19.410 -7.428 -3.144 1.00 3.09 H new ATOM 0 HH11 ARG A 69 -17.656 -5.255 -5.390 1.00 4.23 H new ATOM 0 HH12 ARG A 69 -17.790 -6.396 -6.732 1.00 4.23 H new ATOM 0 HH21 ARG A 69 -19.556 -8.837 -4.882 1.00 5.57 H new ATOM 0 HH22 ARG A 69 -18.857 -8.408 -6.447 1.00 5.57 H new ATOM 1089 N LEU A 70 -14.296 -3.033 0.920 1.00 0.89 N ATOM 1090 CA LEU A 70 -13.972 -1.863 1.757 1.00 0.90 C ATOM 1091 C LEU A 70 -12.878 -0.975 1.125 1.00 1.07 C ATOM 1092 O LEU A 70 -11.824 -0.743 1.719 1.00 2.50 O ATOM 1093 CB LEU A 70 -13.633 -2.347 3.183 1.00 1.30 C ATOM 1094 CG LEU A 70 -13.660 -1.214 4.232 1.00 1.37 C ATOM 1095 CD1 LEU A 70 -15.095 -0.851 4.633 1.00 2.80 C ATOM 1096 CD2 LEU A 70 -12.909 -1.650 5.486 1.00 2.41 C ATOM 0 H LEU A 70 -13.832 -3.886 1.233 1.00 0.89 H new ATOM 0 HA LEU A 70 -14.842 -1.210 1.822 1.00 0.90 H new ATOM 0 HB2 LEU A 70 -14.343 -3.121 3.475 1.00 1.30 H new ATOM 0 HB3 LEU A 70 -12.644 -2.806 3.179 1.00 1.30 H new ATOM 0 HG LEU A 70 -13.186 -0.342 3.782 1.00 1.37 H new ATOM 0 HD11 LEU A 70 -15.075 -0.050 5.372 1.00 2.80 H new ATOM 0 HD12 LEU A 70 -15.646 -0.518 3.753 1.00 2.80 H new ATOM 0 HD13 LEU A 70 -15.586 -1.726 5.059 1.00 2.80 H new ATOM 0 HD21 LEU A 70 -12.932 -0.846 6.222 1.00 2.41 H new ATOM 0 HD22 LEU A 70 -13.383 -2.538 5.904 1.00 2.41 H new ATOM 0 HD23 LEU A 70 -11.874 -1.878 5.230 1.00 2.41 H new ATOM 1108 N ALA A 71 -13.123 -0.522 -0.107 1.00 0.98 N ATOM 1109 CA ALA A 71 -12.157 0.153 -0.975 1.00 0.94 C ATOM 1110 C ALA A 71 -11.376 1.275 -0.261 1.00 1.04 C ATOM 1111 O ALA A 71 -11.964 2.171 0.356 1.00 1.77 O ATOM 1112 CB ALA A 71 -12.909 0.708 -2.191 1.00 1.12 C ATOM 0 H ALA A 71 -14.039 -0.620 -0.545 1.00 0.98 H new ATOM 0 HA ALA A 71 -11.408 -0.578 -1.281 1.00 0.94 H new ATOM 0 HB1 ALA A 71 -12.207 1.216 -2.852 1.00 1.12 H new ATOM 0 HB2 ALA A 71 -13.386 -0.111 -2.729 1.00 1.12 H new ATOM 0 HB3 ALA A 71 -13.669 1.414 -1.857 1.00 1.12 H new ATOM 1118 N MET A 72 -10.047 1.228 -0.371 1.00 0.93 N ATOM 1119 CA MET A 72 -9.144 2.199 0.246 1.00 0.94 C ATOM 1120 C MET A 72 -9.323 3.610 -0.367 1.00 1.00 C ATOM 1121 O MET A 72 -9.454 3.736 -1.590 1.00 1.01 O ATOM 1122 CB MET A 72 -7.714 1.646 0.131 1.00 1.08 C ATOM 1123 CG MET A 72 -6.674 2.433 0.935 1.00 0.87 C ATOM 1124 SD MET A 72 -5.104 1.549 1.191 1.00 0.68 S ATOM 1125 CE MET A 72 -4.396 1.494 -0.474 1.00 1.12 C ATOM 0 H MET A 72 -9.561 0.503 -0.899 1.00 0.93 H new ATOM 0 HA MET A 72 -9.377 2.332 1.302 1.00 0.94 H new ATOM 0 HB2 MET A 72 -7.709 0.609 0.467 1.00 1.08 H new ATOM 0 HB3 MET A 72 -7.420 1.643 -0.919 1.00 1.08 H new ATOM 0 HG2 MET A 72 -6.469 3.373 0.422 1.00 0.87 H new ATOM 0 HG3 MET A 72 -7.098 2.686 1.907 1.00 0.87 H new ATOM 0 HE1 MET A 72 -3.599 0.751 -0.506 1.00 1.12 H new ATOM 0 HE2 MET A 72 -5.172 1.225 -1.191 1.00 1.12 H new ATOM 0 HE3 MET A 72 -3.990 2.473 -0.729 1.00 1.12 H new ATOM 1135 N PRO A 73 -9.342 4.687 0.445 1.00 1.21 N ATOM 1136 CA PRO A 73 -9.411 6.061 -0.060 1.00 1.43 C ATOM 1137 C PRO A 73 -8.110 6.490 -0.759 1.00 1.45 C ATOM 1138 O PRO A 73 -7.034 5.945 -0.505 1.00 1.36 O ATOM 1139 CB PRO A 73 -9.703 6.932 1.167 1.00 1.50 C ATOM 1140 CG PRO A 73 -9.092 6.136 2.320 1.00 1.45 C ATOM 1141 CD PRO A 73 -9.359 4.693 1.903 1.00 1.33 C ATOM 0 HA PRO A 73 -10.185 6.161 -0.821 1.00 1.43 H new ATOM 0 HB2 PRO A 73 -9.250 7.919 1.076 1.00 1.50 H new ATOM 0 HB3 PRO A 73 -10.773 7.084 1.306 1.00 1.50 H new ATOM 0 HG2 PRO A 73 -8.026 6.336 2.431 1.00 1.45 H new ATOM 0 HG3 PRO A 73 -9.562 6.377 3.273 1.00 1.45 H new ATOM 0 HD2 PRO A 73 -8.599 4.024 2.305 1.00 1.33 H new ATOM 0 HD3 PRO A 73 -10.320 4.348 2.284 1.00 1.33 H new ATOM 1149 N ASN A 74 -8.183 7.520 -1.605 1.00 1.75 N ATOM 1150 CA ASN A 74 -6.987 8.209 -2.087 1.00 1.88 C ATOM 1151 C ASN A 74 -6.413 9.087 -0.960 1.00 1.71 C ATOM 1152 O ASN A 74 -7.007 10.093 -0.566 1.00 2.32 O ATOM 1153 CB ASN A 74 -7.301 8.979 -3.382 1.00 2.22 C ATOM 1154 CG ASN A 74 -6.097 9.725 -3.935 1.00 2.28 C ATOM 1155 OD1 ASN A 74 -5.037 9.793 -3.332 1.00 2.07 O ATOM 1156 ND2 ASN A 74 -6.212 10.292 -5.106 1.00 3.04 N ATOM 0 H ASN A 74 -9.059 7.894 -1.970 1.00 1.75 H new ATOM 0 HA ASN A 74 -6.210 7.492 -2.351 1.00 1.88 H new ATOM 0 HB2 ASN A 74 -7.666 8.280 -4.135 1.00 2.22 H new ATOM 0 HB3 ASN A 74 -8.105 9.689 -3.190 1.00 2.22 H new ATOM 0 HD21 ASN A 74 -5.419 10.788 -5.512 1.00 3.04 H new ATOM 0 HD22 ASN A 74 -7.095 10.238 -5.614 1.00 3.04 H new ATOM 1163 N MET A 75 -5.243 8.687 -0.453 1.00 1.56 N ATOM 1164 CA MET A 75 -4.536 9.298 0.686 1.00 1.64 C ATOM 1165 C MET A 75 -3.631 10.484 0.287 1.00 1.64 C ATOM 1166 O MET A 75 -2.941 11.044 1.145 1.00 2.09 O ATOM 1167 CB MET A 75 -3.723 8.197 1.394 1.00 2.07 C ATOM 1168 CG MET A 75 -4.600 7.066 1.962 1.00 2.26 C ATOM 1169 SD MET A 75 -3.709 5.545 2.398 1.00 3.49 S ATOM 1170 CE MET A 75 -3.335 4.900 0.742 1.00 5.75 C ATOM 0 H MET A 75 -4.736 7.891 -0.841 1.00 1.56 H new ATOM 0 HA MET A 75 -5.281 9.723 1.359 1.00 1.64 H new ATOM 0 HB2 MET A 75 -3.007 7.774 0.690 1.00 2.07 H new ATOM 0 HB3 MET A 75 -3.147 8.644 2.205 1.00 2.07 H new ATOM 0 HG2 MET A 75 -5.112 7.436 2.850 1.00 2.26 H new ATOM 0 HG3 MET A 75 -5.369 6.821 1.229 1.00 2.26 H new ATOM 0 HE1 MET A 75 -2.865 3.920 0.831 1.00 5.75 H new ATOM 0 HE2 MET A 75 -4.258 4.809 0.170 1.00 5.75 H new ATOM 0 HE3 MET A 75 -2.657 5.583 0.230 1.00 5.75 H new ATOM 1180 N ARG A 76 -3.599 10.857 -1.005 1.00 1.95 N ATOM 1181 CA ARG A 76 -2.794 11.955 -1.576 1.00 2.04 C ATOM 1182 C ARG A 76 -1.324 11.894 -1.151 1.00 1.60 C ATOM 1183 O ARG A 76 -0.805 12.817 -0.518 1.00 1.69 O ATOM 1184 CB ARG A 76 -3.464 13.317 -1.288 1.00 2.63 C ATOM 1185 CG ARG A 76 -4.894 13.468 -1.836 1.00 3.65 C ATOM 1186 CD ARG A 76 -4.949 13.435 -3.367 1.00 5.11 C ATOM 1187 NE ARG A 76 -6.316 13.666 -3.854 1.00 6.29 N ATOM 1188 CZ ARG A 76 -6.677 13.738 -5.149 1.00 7.53 C ATOM 1189 NH1 ARG A 76 -5.781 13.593 -6.137 1.00 7.98 N ATOM 1190 NH2 ARG A 76 -7.962 13.958 -5.460 1.00 8.81 N ATOM 0 H ARG A 76 -4.158 10.381 -1.712 1.00 1.95 H new ATOM 0 HA ARG A 76 -2.770 11.830 -2.659 1.00 2.04 H new ATOM 0 HB2 ARG A 76 -3.486 13.473 -0.209 1.00 2.63 H new ATOM 0 HB3 ARG A 76 -2.844 14.107 -1.712 1.00 2.63 H new ATOM 0 HG2 ARG A 76 -5.518 12.668 -1.437 1.00 3.65 H new ATOM 0 HG3 ARG A 76 -5.317 14.408 -1.482 1.00 3.65 H new ATOM 0 HD2 ARG A 76 -4.282 14.195 -3.774 1.00 5.11 H new ATOM 0 HD3 ARG A 76 -4.590 12.470 -3.726 1.00 5.11 H new ATOM 0 HE ARG A 76 -7.050 13.781 -3.155 1.00 6.29 H new ATOM 0 HH11 ARG A 76 -4.800 13.424 -5.915 1.00 7.98 H new ATOM 0 HH12 ARG A 76 -6.081 13.652 -7.110 1.00 7.98 H new ATOM 0 HH21 ARG A 76 -8.654 14.069 -4.719 1.00 8.81 H new ATOM 0 HH22 ARG A 76 -8.248 14.015 -6.438 1.00 8.81 H new ATOM 1204 N LEU A 77 -0.660 10.774 -1.454 1.00 1.47 N ATOM 1205 CA LEU A 77 0.755 10.552 -1.127 1.00 1.30 C ATOM 1206 C LEU A 77 1.677 11.247 -2.146 1.00 1.28 C ATOM 1207 O LEU A 77 1.411 11.199 -3.351 1.00 1.41 O ATOM 1208 CB LEU A 77 1.064 9.046 -1.015 1.00 1.41 C ATOM 1209 CG LEU A 77 0.111 8.188 -0.162 1.00 1.49 C ATOM 1210 CD1 LEU A 77 0.638 6.755 -0.101 1.00 2.14 C ATOM 1211 CD2 LEU A 77 -0.026 8.706 1.270 1.00 1.80 C ATOM 0 H LEU A 77 -1.093 9.987 -1.938 1.00 1.47 H new ATOM 0 HA LEU A 77 0.952 11.001 -0.154 1.00 1.30 H new ATOM 0 HB2 LEU A 77 1.081 8.630 -2.022 1.00 1.41 H new ATOM 0 HB3 LEU A 77 2.070 8.938 -0.608 1.00 1.41 H new ATOM 0 HG LEU A 77 -0.869 8.235 -0.636 1.00 1.49 H new ATOM 0 HD11 LEU A 77 -0.035 6.145 0.502 1.00 2.14 H new ATOM 0 HD12 LEU A 77 0.694 6.345 -1.109 1.00 2.14 H new ATOM 0 HD13 LEU A 77 1.631 6.751 0.348 1.00 2.14 H new ATOM 0 HD21 LEU A 77 -0.709 8.064 1.826 1.00 1.80 H new ATOM 0 HD22 LEU A 77 0.951 8.701 1.754 1.00 1.80 H new ATOM 0 HD23 LEU A 77 -0.417 9.723 1.253 1.00 1.80 H new ATOM 1223 N GLY A 78 2.753 11.884 -1.676 1.00 1.28 N ATOM 1224 CA GLY A 78 3.740 12.564 -2.527 1.00 1.40 C ATOM 1225 C GLY A 78 4.833 11.628 -3.055 1.00 1.11 C ATOM 1226 O GLY A 78 5.217 10.674 -2.382 1.00 0.86 O ATOM 0 H GLY A 78 2.968 11.944 -0.681 1.00 1.28 H new ATOM 0 HA2 GLY A 78 3.226 13.024 -3.371 1.00 1.40 H new ATOM 0 HA3 GLY A 78 4.205 13.370 -1.959 1.00 1.40 H new ATOM 1230 N ASP A 79 5.362 11.887 -4.255 1.00 1.25 N ATOM 1231 CA ASP A 79 6.301 10.985 -4.948 1.00 1.19 C ATOM 1232 C ASP A 79 7.597 10.691 -4.157 1.00 1.07 C ATOM 1233 O ASP A 79 8.142 9.588 -4.270 1.00 1.27 O ATOM 1234 CB ASP A 79 6.667 11.568 -6.322 1.00 1.43 C ATOM 1235 CG ASP A 79 5.460 11.750 -7.241 1.00 2.87 C ATOM 1236 OD1 ASP A 79 4.797 12.811 -7.133 1.00 4.16 O ATOM 1237 OD2 ASP A 79 5.186 10.863 -8.091 1.00 3.60 O ATOM 0 H ASP A 79 5.152 12.735 -4.781 1.00 1.25 H new ATOM 0 HA ASP A 79 5.779 10.034 -5.052 1.00 1.19 H new ATOM 0 HB2 ASP A 79 7.157 12.532 -6.182 1.00 1.43 H new ATOM 0 HB3 ASP A 79 7.389 10.911 -6.807 1.00 1.43 H new ATOM 1242 N ALA A 80 8.076 11.647 -3.349 1.00 1.16 N ATOM 1243 CA ALA A 80 9.270 11.501 -2.504 1.00 1.17 C ATOM 1244 C ALA A 80 8.986 10.856 -1.128 1.00 0.99 C ATOM 1245 O ALA A 80 9.872 10.248 -0.527 1.00 1.13 O ATOM 1246 CB ALA A 80 9.911 12.887 -2.362 1.00 1.47 C ATOM 0 H ALA A 80 7.635 12.563 -3.263 1.00 1.16 H new ATOM 0 HA ALA A 80 9.956 10.806 -2.988 1.00 1.17 H new ATOM 0 HB1 ALA A 80 10.802 12.814 -1.739 1.00 1.47 H new ATOM 0 HB2 ALA A 80 10.187 13.263 -3.347 1.00 1.47 H new ATOM 0 HB3 ALA A 80 9.200 13.571 -1.899 1.00 1.47 H new ATOM 1252 N GLU A 81 7.749 10.969 -0.637 1.00 0.86 N ATOM 1253 CA GLU A 81 7.229 10.334 0.575 1.00 0.81 C ATOM 1254 C GLU A 81 6.938 8.843 0.327 1.00 0.69 C ATOM 1255 O GLU A 81 7.333 7.983 1.116 1.00 0.77 O ATOM 1256 CB GLU A 81 5.996 11.165 0.982 1.00 0.96 C ATOM 1257 CG GLU A 81 4.937 10.473 1.837 1.00 1.53 C ATOM 1258 CD GLU A 81 3.810 11.461 2.171 1.00 1.68 C ATOM 1259 OE1 GLU A 81 3.078 11.908 1.258 1.00 2.34 O ATOM 1260 OE2 GLU A 81 3.646 11.844 3.354 1.00 2.27 O ATOM 0 H GLU A 81 7.043 11.540 -1.103 1.00 0.86 H new ATOM 0 HA GLU A 81 7.946 10.329 1.396 1.00 0.81 H new ATOM 0 HB2 GLU A 81 6.345 12.044 1.524 1.00 0.96 H new ATOM 0 HB3 GLU A 81 5.514 11.522 0.072 1.00 0.96 H new ATOM 0 HG2 GLU A 81 4.532 9.612 1.305 1.00 1.53 H new ATOM 0 HG3 GLU A 81 5.387 10.097 2.756 1.00 1.53 H new ATOM 1267 N VAL A 82 6.324 8.525 -0.820 1.00 0.61 N ATOM 1268 CA VAL A 82 6.099 7.158 -1.318 1.00 0.61 C ATOM 1269 C VAL A 82 7.430 6.414 -1.484 1.00 0.66 C ATOM 1270 O VAL A 82 7.558 5.298 -0.989 1.00 0.69 O ATOM 1271 CB VAL A 82 5.330 7.224 -2.656 1.00 0.69 C ATOM 1272 CG1 VAL A 82 5.260 5.885 -3.389 1.00 0.85 C ATOM 1273 CG2 VAL A 82 3.879 7.662 -2.427 1.00 0.71 C ATOM 0 H VAL A 82 5.956 9.237 -1.451 1.00 0.61 H new ATOM 0 HA VAL A 82 5.503 6.604 -0.593 1.00 0.61 H new ATOM 0 HB VAL A 82 5.888 7.939 -3.261 1.00 0.69 H new ATOM 0 HG11 VAL A 82 4.706 6.008 -4.319 1.00 0.85 H new ATOM 0 HG12 VAL A 82 6.269 5.539 -3.611 1.00 0.85 H new ATOM 0 HG13 VAL A 82 4.755 5.152 -2.760 1.00 0.85 H new ATOM 0 HG21 VAL A 82 3.356 7.702 -3.382 1.00 0.71 H new ATOM 0 HG22 VAL A 82 3.382 6.947 -1.771 1.00 0.71 H new ATOM 0 HG23 VAL A 82 3.866 8.649 -1.965 1.00 0.71 H new ATOM 1283 N SER A 83 8.451 7.004 -2.118 1.00 0.72 N ATOM 1284 CA SER A 83 9.725 6.303 -2.364 1.00 0.82 C ATOM 1285 C SER A 83 10.493 5.964 -1.077 1.00 0.89 C ATOM 1286 O SER A 83 11.092 4.887 -0.996 1.00 0.94 O ATOM 1287 CB SER A 83 10.610 7.101 -3.323 1.00 1.05 C ATOM 1288 OG SER A 83 10.878 8.377 -2.789 1.00 2.13 O ATOM 0 H SER A 83 8.424 7.961 -2.470 1.00 0.72 H new ATOM 0 HA SER A 83 9.462 5.352 -2.826 1.00 0.82 H new ATOM 0 HB2 SER A 83 11.545 6.568 -3.496 1.00 1.05 H new ATOM 0 HB3 SER A 83 10.115 7.200 -4.289 1.00 1.05 H new ATOM 0 HG SER A 83 11.446 8.879 -3.410 1.00 2.13 H new ATOM 1294 N ALA A 84 10.423 6.810 -0.043 1.00 0.95 N ATOM 1295 CA ALA A 84 10.952 6.504 1.291 1.00 1.06 C ATOM 1296 C ALA A 84 10.143 5.391 1.993 1.00 1.00 C ATOM 1297 O ALA A 84 10.715 4.498 2.629 1.00 1.04 O ATOM 1298 CB ALA A 84 10.967 7.800 2.109 1.00 1.19 C ATOM 0 H ALA A 84 9.994 7.733 -0.109 1.00 0.95 H new ATOM 0 HA ALA A 84 11.967 6.117 1.199 1.00 1.06 H new ATOM 0 HB1 ALA A 84 11.357 7.596 3.106 1.00 1.19 H new ATOM 0 HB2 ALA A 84 11.602 8.535 1.614 1.00 1.19 H new ATOM 0 HB3 ALA A 84 9.953 8.191 2.189 1.00 1.19 H new ATOM 1304 N LEU A 85 8.815 5.392 1.833 1.00 0.93 N ATOM 1305 CA LEU A 85 7.917 4.363 2.369 1.00 0.92 C ATOM 1306 C LEU A 85 8.125 2.985 1.701 1.00 0.81 C ATOM 1307 O LEU A 85 8.024 1.956 2.365 1.00 0.87 O ATOM 1308 CB LEU A 85 6.473 4.879 2.218 1.00 0.98 C ATOM 1309 CG LEU A 85 5.419 4.124 3.040 1.00 1.01 C ATOM 1310 CD1 LEU A 85 5.633 4.308 4.545 1.00 2.32 C ATOM 1311 CD2 LEU A 85 4.030 4.666 2.699 1.00 1.72 C ATOM 0 H LEU A 85 8.325 6.123 1.317 1.00 0.93 H new ATOM 0 HA LEU A 85 8.141 4.193 3.422 1.00 0.92 H new ATOM 0 HB2 LEU A 85 6.448 5.931 2.504 1.00 0.98 H new ATOM 0 HB3 LEU A 85 6.194 4.828 1.165 1.00 0.98 H new ATOM 0 HG LEU A 85 5.509 3.066 2.794 1.00 1.01 H new ATOM 0 HD11 LEU A 85 4.867 3.758 5.091 1.00 2.32 H new ATOM 0 HD12 LEU A 85 6.617 3.930 4.821 1.00 2.32 H new ATOM 0 HD13 LEU A 85 5.568 5.367 4.795 1.00 2.32 H new ATOM 0 HD21 LEU A 85 3.278 4.132 3.281 1.00 1.72 H new ATOM 0 HD22 LEU A 85 3.986 5.729 2.937 1.00 1.72 H new ATOM 0 HD23 LEU A 85 3.835 4.524 1.636 1.00 1.72 H new ATOM 1323 N ILE A 86 8.505 2.960 0.422 1.00 0.73 N ATOM 1324 CA ILE A 86 8.882 1.755 -0.342 1.00 0.73 C ATOM 1325 C ILE A 86 10.149 1.126 0.257 1.00 0.73 C ATOM 1326 O ILE A 86 10.207 -0.094 0.433 1.00 0.81 O ATOM 1327 CB ILE A 86 9.011 2.102 -1.849 1.00 0.80 C ATOM 1328 CG1 ILE A 86 7.722 1.726 -2.609 1.00 0.92 C ATOM 1329 CG2 ILE A 86 10.177 1.399 -2.571 1.00 1.12 C ATOM 1330 CD1 ILE A 86 6.433 2.379 -2.094 1.00 0.95 C ATOM 0 H ILE A 86 8.563 3.810 -0.138 1.00 0.73 H new ATOM 0 HA ILE A 86 8.100 0.999 -0.266 1.00 0.73 H new ATOM 0 HB ILE A 86 9.199 3.176 -1.861 1.00 0.80 H new ATOM 0 HG12 ILE A 86 7.849 1.994 -3.658 1.00 0.92 H new ATOM 0 HG13 ILE A 86 7.601 0.644 -2.569 1.00 0.92 H new ATOM 0 HG21 ILE A 86 10.191 1.700 -3.619 1.00 1.12 H new ATOM 0 HG22 ILE A 86 11.119 1.680 -2.100 1.00 1.12 H new ATOM 0 HG23 ILE A 86 10.047 0.319 -2.506 1.00 1.12 H new ATOM 0 HD11 ILE A 86 5.590 2.046 -2.699 1.00 0.95 H new ATOM 0 HD12 ILE A 86 6.270 2.092 -1.055 1.00 0.95 H new ATOM 0 HD13 ILE A 86 6.522 3.463 -2.161 1.00 0.95 H new ATOM 1342 N SER A 87 11.124 1.955 0.651 1.00 0.73 N ATOM 1343 CA SER A 87 12.317 1.515 1.385 1.00 0.76 C ATOM 1344 C SER A 87 11.994 1.051 2.811 1.00 0.76 C ATOM 1345 O SER A 87 12.612 0.101 3.287 1.00 0.82 O ATOM 1346 CB SER A 87 13.374 2.623 1.416 1.00 0.87 C ATOM 1347 OG SER A 87 13.933 2.827 0.128 1.00 1.69 O ATOM 0 H SER A 87 11.107 2.958 0.468 1.00 0.73 H new ATOM 0 HA SER A 87 12.715 0.654 0.848 1.00 0.76 H new ATOM 0 HB2 SER A 87 12.924 3.550 1.772 1.00 0.87 H new ATOM 0 HB3 SER A 87 14.162 2.359 2.121 1.00 0.87 H new ATOM 0 HG SER A 87 14.604 3.540 0.172 1.00 1.69 H new ATOM 1353 N TYR A 88 10.994 1.632 3.493 1.00 0.78 N ATOM 1354 CA TYR A 88 10.514 1.049 4.761 1.00 0.80 C ATOM 1355 C TYR A 88 9.891 -0.348 4.584 1.00 0.77 C ATOM 1356 O TYR A 88 10.146 -1.236 5.400 1.00 0.80 O ATOM 1357 CB TYR A 88 9.545 2.010 5.454 1.00 0.89 C ATOM 1358 CG TYR A 88 8.727 1.392 6.569 1.00 0.84 C ATOM 1359 CD1 TYR A 88 9.325 1.132 7.817 1.00 1.60 C ATOM 1360 CD2 TYR A 88 7.384 1.032 6.340 1.00 2.10 C ATOM 1361 CE1 TYR A 88 8.574 0.539 8.848 1.00 1.40 C ATOM 1362 CE2 TYR A 88 6.639 0.421 7.366 1.00 2.37 C ATOM 1363 CZ TYR A 88 7.229 0.182 8.622 1.00 1.15 C ATOM 1364 OH TYR A 88 6.508 -0.427 9.599 1.00 1.42 O ATOM 0 H TYR A 88 10.512 2.482 3.200 1.00 0.78 H new ATOM 0 HA TYR A 88 11.386 0.907 5.399 1.00 0.80 H new ATOM 0 HB2 TYR A 88 10.113 2.847 5.860 1.00 0.89 H new ATOM 0 HB3 TYR A 88 8.865 2.419 4.707 1.00 0.89 H new ATOM 0 HD1 TYR A 88 10.361 1.388 7.983 1.00 1.60 H new ATOM 0 HD2 TYR A 88 6.928 1.224 5.380 1.00 2.10 H new ATOM 0 HE1 TYR A 88 9.027 0.357 9.811 1.00 1.40 H new ATOM 0 HE2 TYR A 88 5.613 0.135 7.190 1.00 2.37 H new ATOM 0 HH TYR A 88 7.078 -0.574 10.383 1.00 1.42 H new ATOM 1374 N LEU A 89 9.135 -0.577 3.504 1.00 0.81 N ATOM 1375 CA LEU A 89 8.536 -1.885 3.211 1.00 0.86 C ATOM 1376 C LEU A 89 9.570 -2.968 2.852 1.00 0.87 C ATOM 1377 O LEU A 89 9.276 -4.151 3.012 1.00 1.08 O ATOM 1378 CB LEU A 89 7.462 -1.738 2.114 1.00 0.95 C ATOM 1379 CG LEU A 89 6.208 -0.948 2.539 1.00 1.43 C ATOM 1380 CD1 LEU A 89 5.282 -0.771 1.334 1.00 2.58 C ATOM 1381 CD2 LEU A 89 5.417 -1.644 3.651 1.00 1.78 C ATOM 0 H LEU A 89 8.921 0.138 2.809 1.00 0.81 H new ATOM 0 HA LEU A 89 8.064 -2.234 4.129 1.00 0.86 H new ATOM 0 HB2 LEU A 89 7.909 -1.245 1.251 1.00 0.95 H new ATOM 0 HB3 LEU A 89 7.155 -2.732 1.790 1.00 0.95 H new ATOM 0 HG LEU A 89 6.556 0.012 2.920 1.00 1.43 H new ATOM 0 HD11 LEU A 89 4.396 -0.212 1.635 1.00 2.58 H new ATOM 0 HD12 LEU A 89 5.806 -0.225 0.550 1.00 2.58 H new ATOM 0 HD13 LEU A 89 4.984 -1.749 0.958 1.00 2.58 H new ATOM 0 HD21 LEU A 89 4.546 -1.042 3.909 1.00 1.78 H new ATOM 0 HD22 LEU A 89 5.091 -2.625 3.306 1.00 1.78 H new ATOM 0 HD23 LEU A 89 6.051 -1.760 4.530 1.00 1.78 H new ATOM 1393 N GLU A 90 10.787 -2.608 2.434 1.00 0.87 N ATOM 1394 CA GLU A 90 11.919 -3.549 2.361 1.00 1.01 C ATOM 1395 C GLU A 90 12.487 -3.920 3.741 1.00 0.99 C ATOM 1396 O GLU A 90 12.873 -5.069 3.955 1.00 1.09 O ATOM 1397 CB GLU A 90 13.051 -2.960 1.503 1.00 1.47 C ATOM 1398 CG GLU A 90 12.684 -2.803 0.025 1.00 1.39 C ATOM 1399 CD GLU A 90 12.367 -4.139 -0.649 1.00 1.82 C ATOM 1400 OE1 GLU A 90 13.145 -5.119 -0.529 1.00 2.70 O ATOM 1401 OE2 GLU A 90 11.314 -4.245 -1.321 1.00 3.31 O ATOM 0 H GLU A 90 11.019 -1.660 2.137 1.00 0.87 H new ATOM 0 HA GLU A 90 11.526 -4.459 1.907 1.00 1.01 H new ATOM 0 HB2 GLU A 90 13.330 -1.986 1.905 1.00 1.47 H new ATOM 0 HB3 GLU A 90 13.928 -3.602 1.584 1.00 1.47 H new ATOM 0 HG2 GLU A 90 11.821 -2.143 -0.063 1.00 1.39 H new ATOM 0 HG3 GLU A 90 13.509 -2.322 -0.501 1.00 1.39 H new ATOM 1408 N GLU A 91 12.556 -2.961 4.669 1.00 1.04 N ATOM 1409 CA GLU A 91 13.194 -3.138 5.982 1.00 1.33 C ATOM 1410 C GLU A 91 12.293 -3.856 6.993 1.00 1.35 C ATOM 1411 O GLU A 91 12.689 -4.881 7.552 1.00 1.53 O ATOM 1412 CB GLU A 91 13.662 -1.777 6.528 1.00 1.62 C ATOM 1413 CG GLU A 91 14.872 -1.252 5.741 1.00 1.67 C ATOM 1414 CD GLU A 91 15.357 0.131 6.192 1.00 2.63 C ATOM 1415 OE1 GLU A 91 14.960 0.631 7.271 1.00 4.01 O ATOM 1416 OE2 GLU A 91 16.182 0.728 5.453 1.00 2.80 O ATOM 0 H GLU A 91 12.167 -2.028 4.531 1.00 1.04 H new ATOM 0 HA GLU A 91 14.059 -3.784 5.836 1.00 1.33 H new ATOM 0 HB2 GLU A 91 12.845 -1.057 6.468 1.00 1.62 H new ATOM 0 HB3 GLU A 91 13.924 -1.875 7.581 1.00 1.62 H new ATOM 0 HG2 GLU A 91 15.692 -1.963 5.839 1.00 1.67 H new ATOM 0 HG3 GLU A 91 14.613 -1.208 4.683 1.00 1.67 H new ATOM 1423 N GLU A 92 11.069 -3.369 7.217 1.00 1.34 N ATOM 1424 CA GLU A 92 10.190 -3.915 8.263 1.00 1.61 C ATOM 1425 C GLU A 92 9.775 -5.364 7.944 1.00 1.81 C ATOM 1426 O GLU A 92 9.765 -6.216 8.833 1.00 1.99 O ATOM 1427 CB GLU A 92 8.980 -2.986 8.453 1.00 1.70 C ATOM 1428 CG GLU A 92 8.205 -3.215 9.764 1.00 2.41 C ATOM 1429 CD GLU A 92 8.723 -2.376 10.945 1.00 2.89 C ATOM 1430 OE1 GLU A 92 9.906 -2.536 11.325 1.00 2.86 O ATOM 1431 OE2 GLU A 92 7.936 -1.590 11.538 1.00 4.17 O ATOM 0 H GLU A 92 10.661 -2.597 6.689 1.00 1.34 H new ATOM 0 HA GLU A 92 10.735 -3.956 9.206 1.00 1.61 H new ATOM 0 HB2 GLU A 92 9.323 -1.952 8.423 1.00 1.70 H new ATOM 0 HB3 GLU A 92 8.298 -3.120 7.613 1.00 1.70 H new ATOM 0 HG2 GLU A 92 7.153 -2.983 9.599 1.00 2.41 H new ATOM 0 HG3 GLU A 92 8.260 -4.271 10.028 1.00 2.41 H new ATOM 1438 N THR A 93 9.553 -5.666 6.656 1.00 1.81 N ATOM 1439 CA THR A 93 9.332 -7.024 6.121 1.00 1.99 C ATOM 1440 C THR A 93 10.435 -7.995 6.550 1.00 2.18 C ATOM 1441 O THR A 93 10.139 -9.129 6.931 1.00 2.53 O ATOM 1442 CB THR A 93 9.275 -6.977 4.581 1.00 1.80 C ATOM 1443 OG1 THR A 93 8.158 -6.229 4.174 1.00 2.32 O ATOM 1444 CG2 THR A 93 9.151 -8.338 3.890 1.00 1.65 C ATOM 0 H THR A 93 9.521 -4.949 5.931 1.00 1.81 H new ATOM 0 HA THR A 93 8.386 -7.383 6.526 1.00 1.99 H new ATOM 0 HB THR A 93 10.229 -6.538 4.288 1.00 1.80 H new ATOM 0 HG1 THR A 93 8.426 -5.594 3.477 1.00 2.32 H new ATOM 0 HG21 THR A 93 9.119 -8.196 2.810 1.00 1.65 H new ATOM 0 HG22 THR A 93 10.010 -8.957 4.149 1.00 1.65 H new ATOM 0 HG23 THR A 93 8.236 -8.831 4.219 1.00 1.65 H new ATOM 1452 N ALA A 94 11.702 -7.565 6.517 1.00 2.06 N ATOM 1453 CA ALA A 94 12.837 -8.382 6.931 1.00 2.36 C ATOM 1454 C ALA A 94 12.990 -8.448 8.460 1.00 2.59 C ATOM 1455 O ALA A 94 13.190 -9.544 9.000 1.00 3.24 O ATOM 1456 CB ALA A 94 14.095 -7.853 6.245 1.00 2.23 C ATOM 0 H ALA A 94 11.965 -6.632 6.199 1.00 2.06 H new ATOM 0 HA ALA A 94 12.664 -9.412 6.620 1.00 2.36 H new ATOM 0 HB1 ALA A 94 14.953 -8.454 6.545 1.00 2.23 H new ATOM 0 HB2 ALA A 94 13.971 -7.911 5.164 1.00 2.23 H new ATOM 0 HB3 ALA A 94 14.259 -6.816 6.536 1.00 2.23 H new ATOM 1462 N ARG A 95 12.835 -7.318 9.169 1.00 2.24 N ATOM 1463 CA ARG A 95 12.889 -7.264 10.646 1.00 2.54 C ATOM 1464 C ARG A 95 11.881 -8.227 11.293 1.00 2.75 C ATOM 1465 O ARG A 95 12.210 -8.855 12.293 1.00 3.09 O ATOM 1466 CB ARG A 95 12.663 -5.825 11.152 1.00 2.69 C ATOM 1467 CG ARG A 95 13.957 -5.014 11.342 1.00 2.91 C ATOM 1468 CD ARG A 95 14.654 -4.636 10.030 1.00 2.72 C ATOM 1469 NE ARG A 95 15.909 -3.904 10.272 1.00 3.02 N ATOM 1470 CZ ARG A 95 16.040 -2.568 10.364 1.00 3.91 C ATOM 1471 NH1 ARG A 95 14.989 -1.741 10.251 1.00 4.63 N ATOM 1472 NH2 ARG A 95 17.257 -2.047 10.576 1.00 4.75 N ATOM 0 H ARG A 95 12.668 -6.410 8.735 1.00 2.24 H new ATOM 0 HA ARG A 95 13.887 -7.585 10.943 1.00 2.54 H new ATOM 0 HB2 ARG A 95 12.019 -5.300 10.446 1.00 2.69 H new ATOM 0 HB3 ARG A 95 12.130 -5.865 12.102 1.00 2.69 H new ATOM 0 HG2 ARG A 95 13.725 -4.103 11.894 1.00 2.91 H new ATOM 0 HG3 ARG A 95 14.649 -5.591 11.956 1.00 2.91 H new ATOM 0 HD2 ARG A 95 14.864 -5.539 9.456 1.00 2.72 H new ATOM 0 HD3 ARG A 95 13.985 -4.023 9.426 1.00 2.72 H new ATOM 0 HE ARG A 95 16.757 -4.461 10.380 1.00 3.02 H new ATOM 0 HH11 ARG A 95 14.056 -2.121 10.090 1.00 4.63 H new ATOM 0 HH12 ARG A 95 15.123 -0.733 10.326 1.00 4.63 H new ATOM 0 HH21 ARG A 95 18.066 -2.661 10.665 1.00 4.75 H new ATOM 0 HH22 ARG A 95 17.374 -1.036 10.648 1.00 4.75 H new ATOM 1486 N LEU A 96 10.710 -8.434 10.688 1.00 2.69 N ATOM 1487 CA LEU A 96 9.701 -9.398 11.157 1.00 2.92 C ATOM 1488 C LEU A 96 10.147 -10.874 11.138 1.00 2.78 C ATOM 1489 O LEU A 96 9.587 -11.676 11.888 1.00 3.25 O ATOM 1490 CB LEU A 96 8.409 -9.208 10.326 1.00 3.78 C ATOM 1491 CG LEU A 96 7.256 -8.450 10.971 1.00 4.81 C ATOM 1492 CD1 LEU A 96 6.636 -9.293 12.067 1.00 4.85 C ATOM 1493 CD2 LEU A 96 7.715 -7.126 11.533 1.00 5.32 C ATOM 0 H LEU A 96 10.428 -7.932 9.846 1.00 2.69 H new ATOM 0 HA LEU A 96 9.531 -9.180 12.211 1.00 2.92 H new ATOM 0 HB2 LEU A 96 8.676 -8.691 9.405 1.00 3.78 H new ATOM 0 HB3 LEU A 96 8.044 -10.195 10.043 1.00 3.78 H new ATOM 0 HG LEU A 96 6.510 -8.247 10.202 1.00 4.81 H new ATOM 0 HD11 LEU A 96 5.812 -8.746 12.525 1.00 4.85 H new ATOM 0 HD12 LEU A 96 6.262 -10.224 11.642 1.00 4.85 H new ATOM 0 HD13 LEU A 96 7.388 -9.516 12.824 1.00 4.85 H new ATOM 0 HD21 LEU A 96 6.869 -6.610 11.986 1.00 5.32 H new ATOM 0 HD22 LEU A 96 8.482 -7.298 12.288 1.00 5.32 H new ATOM 0 HD23 LEU A 96 8.126 -6.513 10.731 1.00 5.32 H new ATOM 1505 N GLN A 97 11.145 -11.250 10.328 1.00 3.08 N ATOM 1506 CA GLN A 97 11.665 -12.630 10.277 1.00 4.14 C ATOM 1507 C GLN A 97 12.751 -12.916 11.339 1.00 4.83 C ATOM 1508 O GLN A 97 12.976 -14.080 11.678 1.00 5.96 O ATOM 1509 CB GLN A 97 12.177 -12.959 8.867 1.00 5.22 C ATOM 1510 CG GLN A 97 11.085 -12.942 7.787 1.00 6.09 C ATOM 1511 CD GLN A 97 11.648 -13.415 6.452 1.00 7.31 C ATOM 1512 OE1 GLN A 97 12.108 -12.633 5.626 1.00 8.21 O ATOM 1513 NE2 GLN A 97 11.687 -14.704 6.208 1.00 7.95 N ATOM 0 H GLN A 97 11.617 -10.610 9.689 1.00 3.08 H new ATOM 0 HA GLN A 97 10.828 -13.286 10.517 1.00 4.14 H new ATOM 0 HB2 GLN A 97 12.952 -12.242 8.597 1.00 5.22 H new ATOM 0 HB3 GLN A 97 12.644 -13.944 8.882 1.00 5.22 H new ATOM 0 HG2 GLN A 97 10.258 -13.585 8.088 1.00 6.09 H new ATOM 0 HG3 GLN A 97 10.684 -11.934 7.683 1.00 6.09 H new ATOM 0 HE21 GLN A 97 11.308 -15.363 6.887 1.00 7.95 H new ATOM 0 HE22 GLN A 97 12.097 -15.046 5.339 1.00 7.95 H new ATOM 1522 N THR A 98 13.376 -11.868 11.893 1.00 4.80 N ATOM 1523 CA THR A 98 14.257 -11.879 13.081 1.00 6.11 C ATOM 1524 C THR A 98 13.694 -10.852 14.079 1.00 6.50 C ATOM 1525 O THR A 98 14.222 -9.744 14.186 1.00 7.13 O ATOM 1526 CB THR A 98 15.729 -11.625 12.672 1.00 7.14 C ATOM 1527 OG1 THR A 98 16.236 -12.765 12.000 1.00 7.98 O ATOM 1528 CG2 THR A 98 16.698 -11.417 13.837 1.00 7.86 C ATOM 0 H THR A 98 13.277 -10.930 11.504 1.00 4.80 H new ATOM 0 HA THR A 98 14.270 -12.854 13.568 1.00 6.11 H new ATOM 0 HB THR A 98 15.684 -10.717 12.070 1.00 7.14 H new ATOM 0 HG1 THR A 98 17.167 -12.604 11.739 1.00 7.98 H new ATOM 0 HG21 THR A 98 17.702 -11.247 13.449 1.00 7.86 H new ATOM 0 HG22 THR A 98 16.384 -10.553 14.422 1.00 7.86 H new ATOM 0 HG23 THR A 98 16.700 -12.303 14.472 1.00 7.86 H new ATOM 1536 N PRO A 99 12.576 -11.164 14.775 1.00 6.71 N ATOM 1537 CA PRO A 99 11.818 -10.215 15.603 1.00 7.59 C ATOM 1538 C PRO A 99 12.485 -9.992 16.975 1.00 8.76 C ATOM 1539 O PRO A 99 11.927 -10.297 18.033 1.00 9.63 O ATOM 1540 CB PRO A 99 10.409 -10.810 15.678 1.00 7.86 C ATOM 1541 CG PRO A 99 10.678 -12.314 15.682 1.00 7.61 C ATOM 1542 CD PRO A 99 11.857 -12.436 14.718 1.00 6.67 C ATOM 0 HA PRO A 99 11.786 -9.211 15.179 1.00 7.59 H new ATOM 0 HB2 PRO A 99 9.882 -10.491 16.577 1.00 7.86 H new ATOM 0 HB3 PRO A 99 9.797 -10.511 14.827 1.00 7.86 H new ATOM 0 HG2 PRO A 99 10.927 -12.680 16.678 1.00 7.61 H new ATOM 0 HG3 PRO A 99 9.813 -12.883 15.341 1.00 7.61 H new ATOM 0 HD2 PRO A 99 12.508 -13.262 15.004 1.00 6.67 H new ATOM 0 HD3 PRO A 99 11.510 -12.640 13.705 1.00 6.67 H new ATOM 1550 N VAL A 100 13.720 -9.491 16.951 1.00 9.08 N ATOM 1551 CA VAL A 100 14.688 -9.536 18.059 1.00 10.37 C ATOM 1552 C VAL A 100 14.838 -8.196 18.810 1.00 11.34 C ATOM 1553 O VAL A 100 15.494 -8.139 19.847 1.00 12.05 O ATOM 1554 CB VAL A 100 16.011 -10.110 17.504 1.00 10.58 C ATOM 1555 CG1 VAL A 100 16.817 -9.063 16.731 1.00 11.43 C ATOM 1556 CG2 VAL A 100 16.905 -10.716 18.591 1.00 11.52 C ATOM 0 H VAL A 100 14.094 -9.022 16.126 1.00 9.08 H new ATOM 0 HA VAL A 100 14.317 -10.197 18.843 1.00 10.37 H new ATOM 0 HB VAL A 100 15.705 -10.906 16.825 1.00 10.58 H new ATOM 0 HG11 VAL A 100 17.738 -9.513 16.361 1.00 11.43 H new ATOM 0 HG12 VAL A 100 16.228 -8.698 15.890 1.00 11.43 H new ATOM 0 HG13 VAL A 100 17.060 -8.231 17.391 1.00 11.43 H new ATOM 0 HG21 VAL A 100 17.818 -11.102 18.138 1.00 11.52 H new ATOM 0 HG22 VAL A 100 17.159 -9.949 19.323 1.00 11.52 H new ATOM 0 HG23 VAL A 100 16.375 -11.529 19.087 1.00 11.52 H new ATOM 1566 N THR A 101 14.198 -7.125 18.316 1.00 11.67 N ATOM 1567 CA THR A 101 14.152 -5.773 18.915 1.00 12.75 C ATOM 1568 C THR A 101 15.531 -5.250 19.352 1.00 13.87 C ATOM 1569 O THR A 101 15.808 -5.091 20.543 1.00 14.74 O ATOM 1570 CB THR A 101 13.111 -5.675 20.051 1.00 13.20 C ATOM 1571 OG1 THR A 101 11.880 -6.255 19.674 1.00 12.67 O ATOM 1572 CG2 THR A 101 12.783 -4.226 20.420 1.00 13.92 C ATOM 0 H THR A 101 13.671 -7.176 17.444 1.00 11.67 H new ATOM 0 HA THR A 101 13.823 -5.109 18.115 1.00 12.75 H new ATOM 0 HB THR A 101 13.566 -6.197 20.893 1.00 13.20 H new ATOM 0 HG1 THR A 101 11.242 -6.179 20.414 1.00 12.67 H new ATOM 0 HG21 THR A 101 12.046 -4.213 21.223 1.00 13.92 H new ATOM 0 HG22 THR A 101 13.690 -3.721 20.751 1.00 13.92 H new ATOM 0 HG23 THR A 101 12.379 -3.711 19.548 1.00 13.92 H new ATOM 1580 N ASN A 102 16.407 -4.980 18.380 1.00 14.16 N ATOM 1581 CA ASN A 102 17.727 -4.376 18.611 1.00 15.47 C ATOM 1582 C ASN A 102 17.624 -2.917 19.102 1.00 16.08 C ATOM 1583 O ASN A 102 18.452 -2.490 19.909 1.00 16.79 O ATOM 1584 CB ASN A 102 18.565 -4.453 17.319 1.00 16.03 C ATOM 1585 CG ASN A 102 18.785 -5.866 16.812 1.00 16.50 C ATOM 1586 OD1 ASN A 102 18.163 -6.309 15.855 1.00 16.60 O ATOM 1587 ND2 ASN A 102 19.661 -6.618 17.433 1.00 17.13 N ATOM 0 H ASN A 102 16.219 -5.176 17.397 1.00 14.16 H new ATOM 0 HA ASN A 102 18.219 -4.942 19.402 1.00 15.47 H new ATOM 0 HB2 ASN A 102 18.070 -3.871 16.541 1.00 16.03 H new ATOM 0 HB3 ASN A 102 19.534 -3.987 17.498 1.00 16.03 H new ATOM 0 HD21 ASN A 102 19.826 -7.574 17.119 1.00 17.13 H new ATOM 0 HD22 ASN A 102 20.178 -6.247 18.230 1.00 17.13 H new ATOM 1594 N ARG A 103 16.615 -2.159 18.650 1.00 16.07 N ATOM 1595 CA ARG A 103 16.278 -0.816 19.151 1.00 16.78 C ATOM 1596 C ARG A 103 15.132 -0.898 20.163 1.00 16.37 C ATOM 1597 O ARG A 103 13.983 -1.136 19.787 1.00 15.92 O ATOM 1598 CB ARG A 103 15.953 0.118 17.974 1.00 17.34 C ATOM 1599 CG ARG A 103 15.824 1.578 18.444 1.00 18.25 C ATOM 1600 CD ARG A 103 15.294 2.495 17.339 1.00 18.92 C ATOM 1601 NE ARG A 103 13.886 2.199 17.036 1.00 18.49 N ATOM 1602 CZ ARG A 103 13.195 2.664 15.982 1.00 19.10 C ATOM 1603 NH1 ARG A 103 13.749 3.493 15.087 1.00 20.20 N ATOM 1604 NH2 ARG A 103 11.920 2.285 15.825 1.00 18.82 N ATOM 0 H ARG A 103 15.992 -2.471 17.905 1.00 16.07 H new ATOM 0 HA ARG A 103 17.137 -0.395 19.674 1.00 16.78 H new ATOM 0 HB2 ARG A 103 16.736 0.043 17.220 1.00 17.34 H new ATOM 0 HB3 ARG A 103 15.023 -0.198 17.501 1.00 17.34 H new ATOM 0 HG2 ARG A 103 15.156 1.624 19.304 1.00 18.25 H new ATOM 0 HG3 ARG A 103 16.797 1.938 18.777 1.00 18.25 H new ATOM 0 HD2 ARG A 103 15.392 3.536 17.648 1.00 18.92 H new ATOM 0 HD3 ARG A 103 15.897 2.371 16.439 1.00 18.92 H new ATOM 0 HE ARG A 103 13.390 1.586 17.683 1.00 18.49 H new ATOM 0 HH11 ARG A 103 14.720 3.787 15.196 1.00 20.20 H new ATOM 0 HH12 ARG A 103 13.200 3.830 14.296 1.00 20.20 H new ATOM 0 HH21 ARG A 103 11.489 1.653 16.500 1.00 18.82 H new ATOM 0 HH22 ARG A 103 11.380 2.628 15.031 1.00 18.82 H new ATOM 1618 N GLY A 104 15.451 -0.679 21.437 1.00 16.86 N ATOM 1619 CA GLY A 104 14.491 -0.660 22.546 1.00 16.85 C ATOM 1620 C GLY A 104 13.787 0.689 22.755 1.00 16.91 C ATOM 1621 O GLY A 104 13.745 1.543 21.862 1.00 17.14 O ATOM 0 H GLY A 104 16.410 -0.505 21.738 1.00 16.86 H new ATOM 0 HA2 GLY A 104 13.736 -1.426 22.370 1.00 16.85 H new ATOM 0 HA3 GLY A 104 15.011 -0.930 23.465 1.00 16.85 H new ATOM 1625 N ILE A 105 13.257 0.890 23.966 1.00 16.93 N ATOM 1626 CA ILE A 105 12.658 2.159 24.429 1.00 17.26 C ATOM 1627 C ILE A 105 13.602 2.794 25.478 1.00 18.41 C ATOM 1628 O ILE A 105 13.936 2.097 26.445 1.00 18.78 O ATOM 1629 CB ILE A 105 11.227 1.932 24.974 1.00 16.67 C ATOM 1630 CG1 ILE A 105 10.333 1.267 23.895 1.00 15.94 C ATOM 1631 CG2 ILE A 105 10.613 3.272 25.428 1.00 16.95 C ATOM 1632 CD1 ILE A 105 8.910 0.940 24.356 1.00 15.56 C ATOM 0 H ILE A 105 13.229 0.158 24.676 1.00 16.93 H new ATOM 0 HA ILE A 105 12.552 2.852 23.594 1.00 17.26 H new ATOM 0 HB ILE A 105 11.284 1.263 25.833 1.00 16.67 H new ATOM 0 HG12 ILE A 105 10.277 1.929 23.031 1.00 15.94 H new ATOM 0 HG13 ILE A 105 10.813 0.347 23.562 1.00 15.94 H new ATOM 0 HG21 ILE A 105 9.606 3.100 25.809 1.00 16.95 H new ATOM 0 HG22 ILE A 105 11.230 3.707 26.214 1.00 16.95 H new ATOM 0 HG23 ILE A 105 10.568 3.957 24.581 1.00 16.95 H new ATOM 0 HD11 ILE A 105 8.359 0.478 23.537 1.00 15.56 H new ATOM 0 HD12 ILE A 105 8.950 0.251 25.200 1.00 15.56 H new ATOM 0 HD13 ILE A 105 8.406 1.857 24.660 1.00 15.56 H new ATOM 1644 N PRO A 106 14.046 4.063 25.337 1.00 19.17 N ATOM 1645 CA PRO A 106 15.098 4.674 26.172 1.00 20.41 C ATOM 1646 C PRO A 106 14.868 4.645 27.687 1.00 20.81 C ATOM 1647 O PRO A 106 15.821 4.311 28.427 1.00 21.51 O ATOM 1648 CB PRO A 106 15.248 6.114 25.668 1.00 21.08 C ATOM 1649 CG PRO A 106 14.840 6.013 24.200 1.00 20.37 C ATOM 1650 CD PRO A 106 13.728 4.968 24.235 1.00 19.11 C ATOM 1651 OXT PRO A 106 13.779 4.961 28.159 1.00 20.64 O ATOM 0 HA PRO A 106 16.002 4.076 26.061 1.00 20.41 H new ATOM 0 HB2 PRO A 106 14.606 6.802 26.218 1.00 21.08 H new ATOM 0 HB3 PRO A 106 16.271 6.475 25.778 1.00 21.08 H new ATOM 0 HG2 PRO A 106 14.487 6.968 23.811 1.00 20.37 H new ATOM 0 HG3 PRO A 106 15.671 5.699 23.569 1.00 20.37 H new ATOM 0 HD2 PRO A 106 12.757 5.439 24.388 1.00 19.11 H new ATOM 0 HD3 PRO A 106 13.675 4.426 23.291 1.00 19.11 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -4.268 0.067 2.914 1.00 0.70 FE HETATM 1661 CHA HEC A 107 -5.370 -2.663 1.013 1.00 1.05 C HETATM 1662 CHB HEC A 107 -1.190 -0.045 1.261 1.00 1.11 C HETATM 1663 CHC HEC A 107 -3.310 2.985 4.526 1.00 1.00 C HETATM 1664 CHD HEC A 107 -7.300 0.095 4.614 1.00 0.74 C HETATM 1665 NA HEC A 107 -3.429 -1.147 1.427 1.00 0.91 N HETATM 1666 C1A HEC A 107 -4.070 -2.189 0.804 1.00 1.06 C HETATM 1667 C2A HEC A 107 -3.144 -2.755 -0.152 1.00 1.32 C HETATM 1668 C3A HEC A 107 -1.952 -2.077 -0.016 1.00 1.30 C HETATM 1669 C4A HEC A 107 -2.156 -1.012 0.939 1.00 1.07 C HETATM 1670 CMA HEC A 107 -0.652 -2.398 -0.718 1.00 1.52 C HETATM 1671 CAA HEC A 107 -3.418 -3.887 -1.125 1.00 1.65 C HETATM 1672 CBA HEC A 107 -3.028 -5.269 -0.575 1.00 1.82 C HETATM 1673 CGA HEC A 107 -2.727 -6.273 -1.677 1.00 1.98 C HETATM 1674 O1A HEC A 107 -3.326 -7.367 -1.656 1.00 2.70 O HETATM 1675 O2A HEC A 107 -1.867 -5.947 -2.518 1.00 2.77 O HETATM 1676 NB HEC A 107 -2.542 1.265 2.895 1.00 0.85 N HETATM 1677 C1B HEC A 107 -1.415 1.016 2.154 1.00 0.99 C HETATM 1678 C2B HEC A 107 -0.473 2.079 2.436 1.00 1.15 C HETATM 1679 C3B HEC A 107 -1.061 2.918 3.360 1.00 1.10 C HETATM 1680 C4B HEC A 107 -2.388 2.406 3.634 1.00 0.95 C HETATM 1681 CMB HEC A 107 0.895 2.284 1.809 1.00 1.43 C HETATM 1682 CAB HEC A 107 -0.373 4.043 4.113 1.00 1.31 C HETATM 1683 CBB HEC A 107 0.061 5.229 3.244 1.00 1.44 C HETATM 1684 NC HEC A 107 -5.149 1.318 4.328 1.00 0.74 N HETATM 1685 C1C HEC A 107 -4.566 2.446 4.825 1.00 0.90 C HETATM 1686 C2C HEC A 107 -5.503 3.043 5.748 1.00 1.01 C HETATM 1687 C3C HEC A 107 -6.595 2.202 5.834 1.00 0.92 C HETATM 1688 C4C HEC A 107 -6.384 1.128 4.881 1.00 0.76 C HETATM 1689 CMC HEC A 107 -5.318 4.378 6.445 1.00 1.19 C HETATM 1690 CAC HEC A 107 -7.758 2.321 6.804 1.00 0.97 C HETATM 1691 CBC HEC A 107 -8.710 3.463 6.436 1.00 1.12 C HETATM 1692 ND HEC A 107 -6.019 -1.092 2.839 1.00 0.69 N HETATM 1693 C1D HEC A 107 -7.099 -0.906 3.654 1.00 0.71 C HETATM 1694 C2D HEC A 107 -8.044 -1.956 3.344 1.00 0.86 C HETATM 1695 C3D HEC A 107 -7.546 -2.663 2.276 1.00 0.94 C HETATM 1696 C4D HEC A 107 -6.228 -2.150 1.991 1.00 0.87 C HETATM 1697 CMD HEC A 107 -9.373 -2.224 4.008 1.00 1.06 C HETATM 1698 CAD HEC A 107 -8.305 -3.720 1.502 1.00 1.25 C HETATM 1699 CBD HEC A 107 -9.227 -3.118 0.428 1.00 2.59 C HETATM 1700 CGD HEC A 107 -8.471 -2.486 -0.734 1.00 3.30 C HETATM 1701 O1D HEC A 107 -8.827 -1.343 -1.095 1.00 4.38 O HETATM 1702 O2D HEC A 107 -7.561 -3.168 -1.250 1.00 3.86 O HETATM 0 HMD3 HEC A 107 -9.217 -2.423 5.068 1.00 1.06 H new HETATM 0 HMD2 HEC A 107 -10.019 -1.354 3.893 1.00 1.06 H new HETATM 0 HMD1 HEC A 107 -9.844 -3.089 3.542 1.00 1.06 H new HETATM 0 HMC3 HEC A 107 -4.415 4.348 7.054 1.00 1.19 H new HETATM 0 HMC2 HEC A 107 -5.227 5.168 5.700 1.00 1.19 H new HETATM 0 HMC1 HEC A 107 -6.179 4.578 7.082 1.00 1.19 H new HETATM 0 HMB3 HEC A 107 1.522 1.416 2.013 1.00 1.43 H new HETATM 0 HMB2 HEC A 107 0.786 2.408 0.732 1.00 1.43 H new HETATM 0 HMB1 HEC A 107 1.359 3.175 2.232 1.00 1.43 H new HETATM 0 HMA3 HEC A 107 -0.336 -3.408 -0.455 1.00 1.52 H new HETATM 0 HMA2 HEC A 107 -0.795 -2.332 -1.797 1.00 1.52 H new HETATM 0 HMA1 HEC A 107 0.114 -1.686 -0.409 1.00 1.52 H new HETATM 0 HBD2 HEC A 107 -9.882 -3.899 0.043 1.00 2.59 H new HETATM 0 HBD1 HEC A 107 -9.866 -2.364 0.889 1.00 2.59 H new HETATM 0 HBC3 HEC A 107 -8.166 4.407 6.445 1.00 1.12 H new HETATM 0 HBC2 HEC A 107 -9.119 3.290 5.440 1.00 1.12 H new HETATM 0 HBC1 HEC A 107 -9.524 3.506 7.160 1.00 1.12 H new HETATM 0 HBB3 HEC A 107 0.763 4.886 2.484 1.00 1.44 H new HETATM 0 HBB2 HEC A 107 -0.813 5.665 2.760 1.00 1.44 H new HETATM 0 HBB1 HEC A 107 0.542 5.981 3.869 1.00 1.44 H new HETATM 0 HBA2 HEC A 107 -2.153 -5.167 0.067 1.00 1.82 H new HETATM 0 HBA1 HEC A 107 -3.838 -5.650 0.047 1.00 1.82 H new HETATM 0 HAD2 HEC A 107 -7.595 -4.398 1.028 1.00 1.25 H new HETATM 0 HAD1 HEC A 107 -8.900 -4.315 2.195 1.00 1.25 H new HETATM 0 HAA2 HEC A 107 -4.478 -3.890 -1.379 1.00 1.65 H new HETATM 0 HAA1 HEC A 107 -2.870 -3.703 -2.049 1.00 1.65 H new HETATM 0 HHD HEC A 107 -8.225 0.071 5.190 1.00 0.74 H new HETATM 0 HHC HEC A 107 -3.026 3.916 5.017 1.00 1.00 H new HETATM 0 HHB HEC A 107 -0.209 -0.122 0.791 1.00 1.11 H new HETATM 0 HHA HEC A 107 -5.732 -3.474 0.381 1.00 1.05 H new HETATM 0 H2D HEC A 107 -7.181 -2.684 -2.013 1.00 3.86 H new