USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 81:sc= 0.945 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -3.95! C(o=-3!,f=-8.4!) USER MOD Set 2.1: A 11 SER OG : rot 140:sc= 1.12 USER MOD Set 2.2: A 76 CYS SG : rot 94:sc= -2.57! USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0781) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0608 (180deg=-0.275) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -6:sc= -2.67! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -110:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0.412 (180deg=-0.116) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 27 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.62) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -117:sc= -10! (180deg=-18.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 46 THR OG1 : rot 89:sc= 0.0586 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 62:sc= -4.6! USER MOD Single : A 57 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.0097) USER MOD Single : A 63 ASN : amide:sc= -2.93 K(o=-2.9,f=-4.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 127:sc= -3.96 USER MOD Single : A 72 SER OG : rot -56:sc= 0.159 USER MOD Single : A 81 THR OG1 : rot 162:sc= -1.73! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.7!) USER MOD Single : A 85 TYR OH : rot 0:sc= -1.39 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.3!) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0173 (180deg=-0.202) USER MOD Single : A 101 TYR OH : rot -12:sc= -5.07! USER MOD Single : A 105 HIS : no HD1:sc= -6.49! K(o=-6.5!,f=-3.9) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -0.0164 (180deg=-0.19) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -18:sc= -1.87! USER MOD Single : A 117 ASN : amide:sc= -0.553 K(o=-0.55,f=-3.8!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -109:sc= -13.9! (180deg=-17.3!) USER MOD Single : A 123 LYS NZ :NH3+ -152:sc= -0.289 (180deg=-1.35!) USER MOD Single : A 124 GLN : amide:sc= -3.14 K(o=-3.1,f=-6.8!) USER MOD Single : A 127 THR OG1 : rot 86:sc= 1.16 USER MOD Single : A 128 TYR OH : rot 15:sc= -2.21 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -175:sc= 0.00907 (180deg=0.00738) USER MOD Single : A 132 TYR OH : rot 42:sc= 0.863 USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=1.2) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.834 10.801 1.673 1.00 0.00 N ATOM 2 CA MET A 1 -11.722 11.750 1.403 1.00 0.00 C ATOM 3 C MET A 1 -10.474 11.377 2.194 1.00 0.00 C ATOM 4 O MET A 1 -9.697 12.245 2.592 1.00 0.00 O ATOM 5 CB MET A 1 -12.182 13.159 1.782 1.00 0.00 C ATOM 6 CG MET A 1 -13.198 13.748 0.818 1.00 0.00 C ATOM 7 SD MET A 1 -14.469 14.717 1.654 1.00 0.00 S ATOM 8 CE MET A 1 -13.468 15.976 2.444 1.00 0.00 C ATOM 0 H1 MET A 1 -13.740 11.310 1.641 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.833 10.051 0.953 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.708 10.377 2.614 1.00 0.00 H new ATOM 0 HA MET A 1 -11.466 11.708 0.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.615 13.134 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.313 13.816 1.827 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.683 14.379 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.671 12.942 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.115 16.752 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.888 15.527 3.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.791 16.416 1.711 1.00 0.00 H new ATOM 20 N ARG A 2 -10.286 10.080 2.420 1.00 0.00 N ATOM 21 CA ARG A 2 -9.132 9.595 3.167 1.00 0.00 C ATOM 22 C ARG A 2 -8.638 8.262 2.612 1.00 0.00 C ATOM 23 O ARG A 2 -9.307 7.629 1.795 1.00 0.00 O ATOM 24 CB ARG A 2 -9.485 9.437 4.647 1.00 0.00 C ATOM 25 CG ARG A 2 -9.667 10.758 5.376 1.00 0.00 C ATOM 26 CD ARG A 2 -11.083 10.916 5.907 1.00 0.00 C ATOM 27 NE ARG A 2 -11.205 12.059 6.808 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.333 13.318 6.394 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.348 13.600 5.097 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.442 14.298 7.281 1.00 0.00 N ATOM 0 H ARG A 2 -10.918 9.347 2.097 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.334 10.330 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.403 8.856 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.699 8.865 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.959 10.818 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.438 11.582 4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.772 11.038 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.377 10.007 6.432 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.191 11.883 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.261 12.850 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.446 14.567 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.428 14.087 8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.540 15.263 6.965 1.00 0.00 H new ATOM 44 N ILE A 3 -7.462 7.843 3.069 1.00 0.00 N ATOM 45 CA ILE A 3 -6.872 6.585 2.631 1.00 0.00 C ATOM 46 C ILE A 3 -7.701 5.403 3.117 1.00 0.00 C ATOM 47 O ILE A 3 -8.289 5.452 4.197 1.00 0.00 O ATOM 48 CB ILE A 3 -5.423 6.455 3.140 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.716 5.263 2.513 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.395 6.333 4.656 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.214 5.375 2.618 1.00 0.00 C ATOM 0 H ILE A 3 -6.898 8.359 3.745 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.862 6.581 1.541 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.892 7.360 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.046 4.347 3.003 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.001 5.184 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.363 6.242 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.846 7.220 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.956 5.449 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.751 4.502 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.880 6.277 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.926 5.427 3.668 1.00 0.00 H new ATOM 63 N TYR A 4 -7.762 4.349 2.312 1.00 0.00 N ATOM 64 CA TYR A 4 -8.543 3.173 2.671 1.00 0.00 C ATOM 65 C TYR A 4 -7.682 1.919 2.751 1.00 0.00 C ATOM 66 O TYR A 4 -7.880 1.082 3.630 1.00 0.00 O ATOM 67 CB TYR A 4 -9.670 2.960 1.660 1.00 0.00 C ATOM 68 CG TYR A 4 -10.787 3.969 1.781 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.295 4.326 3.024 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.334 4.563 0.652 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.317 5.249 3.137 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.356 5.488 0.757 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.844 5.827 2.001 1.00 0.00 C ATOM 74 OH TYR A 4 -13.861 6.747 2.108 1.00 0.00 O ATOM 0 H TYR A 4 -7.284 4.285 1.413 1.00 0.00 H new ATOM 0 HA TYR A 4 -8.964 3.353 3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.257 3.006 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.080 1.959 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.885 3.875 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.955 4.298 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.701 5.517 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.770 5.943 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.116 7.058 1.214 1.00 0.00 H new ATOM 84 N TYR A 5 -6.736 1.777 1.830 1.00 0.00 N ATOM 85 CA TYR A 5 -5.876 0.599 1.822 1.00 0.00 C ATOM 86 C TYR A 5 -4.430 0.949 1.507 1.00 0.00 C ATOM 87 O TYR A 5 -4.141 1.882 0.759 1.00 0.00 O ATOM 88 CB TYR A 5 -6.394 -0.426 0.806 1.00 0.00 C ATOM 89 CG TYR A 5 -5.546 -1.684 0.684 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.271 -1.643 0.125 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.030 -2.915 1.109 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.508 -2.786 -0.003 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.268 -4.063 0.986 1.00 0.00 C ATOM 94 CZ TYR A 5 -4.010 -3.992 0.429 1.00 0.00 C ATOM 95 OH TYR A 5 -3.254 -5.132 0.297 1.00 0.00 O ATOM 0 H TYR A 5 -6.546 2.452 1.089 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.903 0.171 2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.408 -0.713 1.085 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.455 0.051 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.872 -0.699 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.017 -2.977 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.522 -2.734 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.658 -5.011 1.325 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.438 -4.927 -0.205 1.00 0.00 H new ATOM 105 N ILE A 6 -3.531 0.162 2.074 1.00 0.00 N ATOM 106 CA ILE A 6 -2.106 0.326 1.864 1.00 0.00 C ATOM 107 C ILE A 6 -1.444 -1.037 1.969 1.00 0.00 C ATOM 108 O ILE A 6 -2.060 -1.990 2.442 1.00 0.00 O ATOM 109 CB ILE A 6 -1.501 1.319 2.888 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.613 2.748 2.346 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.053 0.989 3.227 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.767 3.770 3.085 1.00 0.00 C ATOM 0 H ILE A 6 -3.772 -0.611 2.695 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.929 0.745 0.873 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.070 1.231 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.324 2.748 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.657 3.059 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.326 1.713 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.001 -0.012 3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.551 1.029 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.908 4.753 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.069 3.804 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.284 3.488 3.020 1.00 0.00 H new ATOM 124 N GLY A 7 -0.204 -1.140 1.530 1.00 0.00 N ATOM 125 CA GLY A 7 0.478 -2.410 1.604 1.00 0.00 C ATOM 126 C GLY A 7 1.696 -2.489 0.717 1.00 0.00 C ATOM 127 O GLY A 7 2.278 -1.470 0.345 1.00 0.00 O ATOM 0 H GLY A 7 0.339 -0.376 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.777 -2.594 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.216 -3.203 1.327 1.00 0.00 H new ATOM 131 N VAL A 8 2.085 -3.712 0.388 1.00 0.00 N ATOM 132 CA VAL A 8 3.245 -3.948 -0.453 1.00 0.00 C ATOM 133 C VAL A 8 3.098 -5.260 -1.212 1.00 0.00 C ATOM 134 O VAL A 8 2.594 -6.240 -0.665 1.00 0.00 O ATOM 135 CB VAL A 8 4.544 -4.011 0.373 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.659 -3.262 -0.325 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.342 -3.472 1.784 1.00 0.00 C ATOM 0 H VAL A 8 1.609 -4.561 0.694 1.00 0.00 H new ATOM 0 HA VAL A 8 3.304 -3.112 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 8 4.826 -5.060 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.567 -3.319 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.841 -3.709 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.373 -2.218 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.281 -3.533 2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.018 -2.432 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.582 -4.064 2.294 1.00 0.00 H new ATOM 147 N PHE A 9 3.543 -5.282 -2.465 1.00 0.00 N ATOM 148 CA PHE A 9 3.449 -6.493 -3.276 1.00 0.00 C ATOM 149 C PHE A 9 4.638 -6.639 -4.221 1.00 0.00 C ATOM 150 O PHE A 9 4.975 -5.718 -4.963 1.00 0.00 O ATOM 151 CB PHE A 9 2.159 -6.491 -4.090 1.00 0.00 C ATOM 152 CG PHE A 9 0.994 -5.870 -3.380 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.525 -6.400 -2.192 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.362 -4.765 -3.912 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.556 -5.836 -1.548 1.00 0.00 C ATOM 156 CE2 PHE A 9 -0.718 -4.193 -3.274 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.179 -4.732 -2.089 1.00 0.00 C ATOM 0 H PHE A 9 3.968 -4.484 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 9 3.451 -7.339 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.331 -5.955 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.906 -7.518 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.010 -7.265 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.718 -4.343 -4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.914 -6.259 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.202 -3.326 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.026 -4.289 -1.587 1.00 0.00 H new ATOM 167 N ARG A 10 5.251 -7.816 -4.203 1.00 0.00 N ATOM 168 CA ARG A 10 6.384 -8.103 -5.070 1.00 0.00 C ATOM 169 C ARG A 10 5.902 -8.340 -6.494 1.00 0.00 C ATOM 170 O ARG A 10 5.156 -9.283 -6.757 1.00 0.00 O ATOM 171 CB ARG A 10 7.142 -9.332 -4.563 1.00 0.00 C ATOM 172 CG ARG A 10 8.288 -9.758 -5.468 1.00 0.00 C ATOM 173 CD ARG A 10 7.903 -10.947 -6.335 1.00 0.00 C ATOM 174 NE ARG A 10 8.346 -10.785 -7.718 1.00 0.00 N ATOM 175 CZ ARG A 10 8.275 -11.747 -8.636 1.00 0.00 C ATOM 176 NH1 ARG A 10 7.780 -12.939 -8.322 1.00 0.00 N ATOM 177 NH2 ARG A 10 8.700 -11.519 -9.871 1.00 0.00 N ATOM 0 H ARG A 10 4.980 -8.589 -3.595 1.00 0.00 H new ATOM 0 HA ARG A 10 7.058 -7.247 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.535 -9.121 -3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.443 -10.162 -4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.580 -8.922 -6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.156 -10.015 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.340 -11.855 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.821 -11.075 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 10 8.732 -9.883 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.452 -13.121 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.728 -13.672 -9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.082 -10.606 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.645 -12.256 -10.573 1.00 0.00 H new ATOM 191 N SER A 11 6.320 -7.475 -7.410 1.00 0.00 N ATOM 192 CA SER A 11 5.917 -7.590 -8.809 1.00 0.00 C ATOM 193 C SER A 11 6.082 -9.017 -9.319 1.00 0.00 C ATOM 194 O SER A 11 7.170 -9.421 -9.733 1.00 0.00 O ATOM 195 CB SER A 11 6.727 -6.632 -9.681 1.00 0.00 C ATOM 196 OG SER A 11 7.487 -5.735 -8.890 1.00 0.00 O ATOM 0 H SER A 11 6.937 -6.687 -7.211 1.00 0.00 H new ATOM 0 HA SER A 11 4.862 -7.324 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.392 -7.202 -10.330 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.055 -6.069 -10.329 1.00 0.00 H new ATOM 0 HG SER A 11 8.371 -5.611 -9.294 1.00 0.00 H new ATOM 202 N GLY A 12 4.992 -9.771 -9.292 1.00 0.00 N ATOM 203 CA GLY A 12 5.024 -11.144 -9.758 1.00 0.00 C ATOM 204 C GLY A 12 5.003 -11.242 -11.269 1.00 0.00 C ATOM 205 O GLY A 12 5.528 -10.369 -11.962 1.00 0.00 O ATOM 0 H GLY A 12 4.083 -9.456 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.921 -11.633 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.169 -11.683 -9.350 1.00 0.00 H new ATOM 209 N GLY A 13 4.394 -12.305 -11.784 1.00 0.00 N ATOM 210 CA GLY A 13 4.316 -12.492 -13.221 1.00 0.00 C ATOM 211 C GLY A 13 3.019 -11.967 -13.802 1.00 0.00 C ATOM 212 O GLY A 13 2.971 -10.854 -14.328 1.00 0.00 O ATOM 0 H GLY A 13 3.953 -13.040 -11.232 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.156 -11.985 -13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.412 -13.553 -13.452 1.00 0.00 H new ATOM 216 N GLU A 14 1.963 -12.768 -13.706 1.00 0.00 N ATOM 217 CA GLU A 14 0.657 -12.378 -14.224 1.00 0.00 C ATOM 218 C GLU A 14 0.035 -11.280 -13.365 1.00 0.00 C ATOM 219 O GLU A 14 -0.782 -10.492 -13.842 1.00 0.00 O ATOM 220 CB GLU A 14 -0.275 -13.591 -14.279 1.00 0.00 C ATOM 221 CG GLU A 14 -0.336 -14.250 -15.649 1.00 0.00 C ATOM 222 CD GLU A 14 -1.595 -15.073 -15.843 1.00 0.00 C ATOM 223 OE1 GLU A 14 -2.693 -14.478 -15.880 1.00 0.00 O ATOM 224 OE2 GLU A 14 -1.483 -16.312 -15.957 1.00 0.00 O ATOM 0 H GLU A 14 1.986 -13.692 -13.274 1.00 0.00 H new ATOM 0 HA GLU A 14 0.795 -11.988 -15.233 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.056 -14.326 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.279 -13.281 -13.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.286 -13.482 -16.421 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.536 -14.890 -15.780 1.00 0.00 H new ATOM 231 N LYS A 15 0.427 -11.233 -12.095 1.00 0.00 N ATOM 232 CA LYS A 15 -0.091 -10.234 -11.171 1.00 0.00 C ATOM 233 C LYS A 15 0.933 -9.932 -10.081 1.00 0.00 C ATOM 234 O LYS A 15 2.065 -10.415 -10.129 1.00 0.00 O ATOM 235 CB LYS A 15 -1.399 -10.720 -10.545 1.00 0.00 C ATOM 236 CG LYS A 15 -1.276 -12.065 -9.847 1.00 0.00 C ATOM 237 CD LYS A 15 -1.544 -13.214 -10.805 1.00 0.00 C ATOM 238 CE LYS A 15 -3.025 -13.547 -10.874 1.00 0.00 C ATOM 239 NZ LYS A 15 -3.302 -14.651 -11.833 1.00 0.00 N ATOM 0 H LYS A 15 1.103 -11.877 -11.684 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.286 -9.317 -11.727 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.746 -9.977 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.160 -10.792 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.276 -12.167 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.980 -12.111 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.182 -12.952 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.987 -14.094 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.380 -13.830 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.583 -12.659 -11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.323 -14.848 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.987 -14.372 -12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.790 -15.506 -11.535 1.00 0.00 H new ATOM 253 N ALA A 16 0.533 -9.132 -9.102 1.00 0.00 N ATOM 254 CA ALA A 16 1.420 -8.768 -8.004 1.00 0.00 C ATOM 255 C ALA A 16 1.387 -9.814 -6.900 1.00 0.00 C ATOM 256 O ALA A 16 0.734 -10.849 -7.026 1.00 0.00 O ATOM 257 CB ALA A 16 1.039 -7.409 -7.448 1.00 0.00 C ATOM 0 H ALA A 16 -0.399 -8.722 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 16 2.436 -8.720 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.710 -7.150 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.120 -6.658 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.013 -7.441 -7.081 1.00 0.00 H new ATOM 263 N LEU A 17 2.095 -9.532 -5.812 1.00 0.00 N ATOM 264 CA LEU A 17 2.146 -10.443 -4.678 1.00 0.00 C ATOM 265 C LEU A 17 1.328 -9.893 -3.507 1.00 0.00 C ATOM 266 O LEU A 17 0.399 -9.107 -3.701 1.00 0.00 O ATOM 267 CB LEU A 17 3.598 -10.675 -4.246 1.00 0.00 C ATOM 268 CG LEU A 17 3.896 -12.077 -3.703 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.655 -12.899 -4.730 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.682 -11.993 -2.399 1.00 0.00 C ATOM 0 H LEU A 17 2.641 -8.679 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 17 1.714 -11.396 -4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.250 -10.486 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.855 -9.943 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 17 2.947 -12.573 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.857 -13.891 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.056 -12.992 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.597 -12.405 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.883 -12.999 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.625 -11.476 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.100 -11.445 -1.658 1.00 0.00 H new ATOM 282 N GLU A 18 1.682 -10.308 -2.295 1.00 0.00 N ATOM 283 CA GLU A 18 0.997 -9.865 -1.091 1.00 0.00 C ATOM 284 C GLU A 18 1.997 -9.645 0.043 1.00 0.00 C ATOM 285 O GLU A 18 1.772 -10.082 1.171 1.00 0.00 O ATOM 286 CB GLU A 18 -0.056 -10.897 -0.674 1.00 0.00 C ATOM 287 CG GLU A 18 -1.400 -10.286 -0.317 1.00 0.00 C ATOM 288 CD GLU A 18 -2.567 -11.154 -0.745 1.00 0.00 C ATOM 289 OE1 GLU A 18 -2.544 -12.367 -0.448 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.505 -10.620 -1.376 1.00 0.00 O ATOM 0 H GLU A 18 2.449 -10.958 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 18 0.500 -8.918 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.195 -11.610 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.317 -11.458 0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.447 -10.125 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.487 -9.308 -0.789 1.00 0.00 H new ATOM 297 N LEU A 19 3.107 -8.967 -0.268 1.00 0.00 N ATOM 298 CA LEU A 19 4.153 -8.691 0.722 1.00 0.00 C ATOM 299 C LEU A 19 3.551 -8.317 2.072 1.00 0.00 C ATOM 300 O LEU A 19 3.451 -9.153 2.967 1.00 0.00 O ATOM 301 CB LEU A 19 5.084 -7.589 0.226 1.00 0.00 C ATOM 302 CG LEU A 19 5.803 -7.900 -1.086 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.814 -6.812 -1.413 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.481 -9.262 -1.016 1.00 0.00 C ATOM 0 H LEU A 19 3.304 -8.599 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 19 4.735 -9.603 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.506 -6.674 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.831 -7.390 0.995 1.00 0.00 H new ATOM 0 HG LEU A 19 5.062 -7.929 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.316 -7.051 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.300 -5.855 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.552 -6.748 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.987 -9.465 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.210 -9.265 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.732 -10.032 -0.833 1.00 0.00 H new ATOM 316 N SER A 20 3.127 -7.071 2.206 1.00 0.00 N ATOM 317 CA SER A 20 2.510 -6.612 3.441 1.00 0.00 C ATOM 318 C SER A 20 1.271 -5.790 3.118 1.00 0.00 C ATOM 319 O SER A 20 1.377 -4.643 2.694 1.00 0.00 O ATOM 320 CB SER A 20 3.495 -5.795 4.278 1.00 0.00 C ATOM 321 OG SER A 20 4.817 -5.910 3.777 1.00 0.00 O ATOM 0 H SER A 20 3.198 -6.361 1.478 1.00 0.00 H new ATOM 0 HA SER A 20 2.219 -7.482 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.194 -4.747 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.465 -6.135 5.313 1.00 0.00 H new ATOM 0 HG SER A 20 5.360 -6.431 4.404 1.00 0.00 H new ATOM 327 N GLU A 21 0.099 -6.393 3.286 1.00 0.00 N ATOM 328 CA GLU A 21 -1.156 -5.716 2.971 1.00 0.00 C ATOM 329 C GLU A 21 -1.898 -5.235 4.214 1.00 0.00 C ATOM 330 O GLU A 21 -2.222 -6.015 5.109 1.00 0.00 O ATOM 331 CB GLU A 21 -2.065 -6.641 2.158 1.00 0.00 C ATOM 332 CG GLU A 21 -2.070 -8.079 2.643 1.00 0.00 C ATOM 333 CD GLU A 21 -3.443 -8.719 2.560 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.233 -8.315 1.682 1.00 0.00 O ATOM 335 OE2 GLU A 21 -3.726 -9.624 3.372 1.00 0.00 O ATOM 0 H GLU A 21 -0.009 -7.345 3.637 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.897 -4.834 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.083 -6.253 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.749 -6.621 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.366 -8.661 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.720 -8.112 3.675 1.00 0.00 H new ATOM 342 N VAL A 22 -2.182 -3.935 4.235 1.00 0.00 N ATOM 343 CA VAL A 22 -2.907 -3.303 5.325 1.00 0.00 C ATOM 344 C VAL A 22 -4.185 -2.658 4.793 1.00 0.00 C ATOM 345 O VAL A 22 -4.184 -2.073 3.711 1.00 0.00 O ATOM 346 CB VAL A 22 -2.042 -2.231 6.006 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.626 -1.163 5.010 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.770 -1.611 7.189 1.00 0.00 C ATOM 0 H VAL A 22 -1.913 -3.291 3.491 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.159 -4.070 6.058 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.142 -2.716 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.014 -0.414 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.050 -1.620 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.514 -0.687 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.135 -0.856 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.694 -1.146 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.004 -2.386 7.919 1.00 0.00 H new ATOM 358 N LYS A 23 -5.278 -2.777 5.540 1.00 0.00 N ATOM 359 CA LYS A 23 -6.550 -2.209 5.103 1.00 0.00 C ATOM 360 C LYS A 23 -7.129 -1.243 6.122 1.00 0.00 C ATOM 361 O LYS A 23 -6.773 -1.262 7.299 1.00 0.00 O ATOM 362 CB LYS A 23 -7.575 -3.314 4.855 1.00 0.00 C ATOM 363 CG LYS A 23 -7.067 -4.431 3.958 1.00 0.00 C ATOM 364 CD LYS A 23 -6.863 -5.723 4.733 1.00 0.00 C ATOM 365 CE LYS A 23 -5.452 -5.821 5.290 1.00 0.00 C ATOM 366 NZ LYS A 23 -4.928 -7.213 5.234 1.00 0.00 N ATOM 0 H LYS A 23 -5.310 -3.255 6.440 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.343 -1.665 4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.877 -3.738 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.466 -2.876 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.777 -4.600 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.126 -4.129 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.582 -5.776 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.058 -6.574 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.792 -5.162 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.444 -5.472 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.889 -7.192 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.243 -7.736 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.286 -7.685 4.379 1.00 0.00 H new ATOM 380 N ASP A 24 -8.065 -0.430 5.651 1.00 0.00 N ATOM 381 CA ASP A 24 -8.755 0.520 6.501 1.00 0.00 C ATOM 382 C ASP A 24 -10.251 0.420 6.240 1.00 0.00 C ATOM 383 O ASP A 24 -10.744 0.844 5.194 1.00 0.00 O ATOM 384 CB ASP A 24 -8.264 1.945 6.232 1.00 0.00 C ATOM 385 CG ASP A 24 -8.633 2.903 7.348 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.868 2.991 8.331 1.00 0.00 O ATOM 387 OD2 ASP A 24 -9.687 3.563 7.239 1.00 0.00 O ATOM 0 H ASP A 24 -8.363 -0.413 4.676 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.547 0.286 7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.181 1.936 6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.690 2.302 5.294 1.00 0.00 H new ATOM 392 N LEU A 25 -10.962 -0.160 7.194 1.00 0.00 N ATOM 393 CA LEU A 25 -12.402 -0.345 7.079 1.00 0.00 C ATOM 394 C LEU A 25 -13.149 0.575 8.043 1.00 0.00 C ATOM 395 O LEU A 25 -13.738 0.120 9.023 1.00 0.00 O ATOM 396 CB LEU A 25 -12.758 -1.805 7.360 1.00 0.00 C ATOM 397 CG LEU A 25 -12.129 -2.815 6.395 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.491 -2.473 4.959 1.00 0.00 C ATOM 399 CD2 LEU A 25 -10.618 -2.853 6.569 1.00 0.00 C ATOM 0 H LEU A 25 -10.562 -0.514 8.063 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.705 -0.089 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.448 -2.051 8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.842 -1.914 7.323 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.525 -3.804 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.036 -3.200 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.574 -2.497 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.122 -1.476 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.190 -3.576 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.203 -1.866 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.377 -3.144 7.591 1.00 0.00 H new ATOM 411 N SER A 26 -13.111 1.872 7.758 1.00 0.00 N ATOM 412 CA SER A 26 -13.776 2.865 8.598 1.00 0.00 C ATOM 413 C SER A 26 -15.295 2.687 8.575 1.00 0.00 C ATOM 414 O SER A 26 -15.859 2.006 9.433 1.00 0.00 O ATOM 415 CB SER A 26 -13.401 4.279 8.146 1.00 0.00 C ATOM 416 OG SER A 26 -14.261 5.244 8.728 1.00 0.00 O ATOM 0 H SER A 26 -12.626 2.262 6.950 1.00 0.00 H new ATOM 0 HA SER A 26 -13.437 2.717 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.369 4.492 8.424 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.458 4.344 7.059 1.00 0.00 H new ATOM 0 HG SER A 26 -14.000 6.139 8.426 1.00 0.00 H new ATOM 422 N GLN A 27 -15.956 3.301 7.595 1.00 0.00 N ATOM 423 CA GLN A 27 -17.409 3.204 7.476 1.00 0.00 C ATOM 424 C GLN A 27 -17.826 1.831 6.953 1.00 0.00 C ATOM 425 O GLN A 27 -18.987 1.437 7.066 1.00 0.00 O ATOM 426 CB GLN A 27 -17.938 4.298 6.549 1.00 0.00 C ATOM 427 CG GLN A 27 -17.811 5.699 7.126 1.00 0.00 C ATOM 428 CD GLN A 27 -19.147 6.409 7.234 1.00 0.00 C ATOM 429 OE1 GLN A 27 -20.174 5.786 7.501 1.00 0.00 O ATOM 430 NE2 GLN A 27 -19.138 7.721 7.026 1.00 0.00 N ATOM 0 H GLN A 27 -15.510 3.869 6.875 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.839 3.338 8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.398 4.253 5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.987 4.099 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.354 5.641 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.141 6.287 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.263 8.197 6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.006 8.253 7.085 1.00 0.00 H new ATOM 439 N PHE A 28 -16.868 1.110 6.382 1.00 0.00 N ATOM 440 CA PHE A 28 -17.122 -0.221 5.840 1.00 0.00 C ATOM 441 C PHE A 28 -17.327 -1.229 6.971 1.00 0.00 C ATOM 442 O PHE A 28 -16.484 -1.352 7.860 1.00 0.00 O ATOM 443 CB PHE A 28 -15.955 -0.657 4.947 1.00 0.00 C ATOM 444 CG PHE A 28 -15.329 0.476 4.181 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.331 1.247 4.753 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.745 0.773 2.895 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.758 2.292 4.059 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.175 1.819 2.194 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.180 2.579 2.778 1.00 0.00 C ATOM 0 H PHE A 28 -15.903 1.426 6.282 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.031 -0.185 5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.193 -1.132 5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.309 -1.410 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.997 1.027 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.523 0.182 2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.980 2.884 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.507 2.042 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.733 3.397 2.232 1.00 0.00 H new ATOM 459 N GLY A 29 -18.449 -1.945 6.937 1.00 0.00 N ATOM 460 CA GLY A 29 -18.728 -2.926 7.977 1.00 0.00 C ATOM 461 C GLY A 29 -20.169 -3.408 7.987 1.00 0.00 C ATOM 462 O GLY A 29 -20.476 -4.432 8.598 1.00 0.00 O ATOM 0 H GLY A 29 -19.165 -1.866 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.068 -3.783 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.492 -2.491 8.948 1.00 0.00 H new ATOM 466 N PHE A 30 -21.058 -2.680 7.319 1.00 0.00 N ATOM 467 CA PHE A 30 -22.468 -3.057 7.269 1.00 0.00 C ATOM 468 C PHE A 30 -22.728 -4.103 6.183 1.00 0.00 C ATOM 469 O PHE A 30 -23.751 -4.053 5.502 1.00 0.00 O ATOM 470 CB PHE A 30 -23.350 -1.824 7.045 1.00 0.00 C ATOM 471 CG PHE A 30 -23.197 -1.197 5.686 1.00 0.00 C ATOM 472 CD1 PHE A 30 -22.189 -0.279 5.443 1.00 0.00 C ATOM 473 CD2 PHE A 30 -24.067 -1.521 4.656 1.00 0.00 C ATOM 474 CE1 PHE A 30 -22.051 0.303 4.197 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.933 -0.943 3.410 1.00 0.00 C ATOM 476 CZ PHE A 30 -22.923 -0.030 3.179 1.00 0.00 C ATOM 0 H PHE A 30 -20.829 -1.828 6.806 1.00 0.00 H new ATOM 0 HA PHE A 30 -22.726 -3.501 8.231 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -24.393 -2.106 7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -23.114 -1.079 7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.504 -0.015 6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -24.859 -2.234 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -21.261 1.018 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -24.617 -1.204 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.815 0.423 2.204 1.00 0.00 H new ATOM 486 N PHE A 31 -21.789 -5.044 6.024 1.00 0.00 N ATOM 487 CA PHE A 31 -21.892 -6.111 5.022 1.00 0.00 C ATOM 488 C PHE A 31 -21.254 -5.684 3.705 1.00 0.00 C ATOM 489 O PHE A 31 -21.393 -6.361 2.686 1.00 0.00 O ATOM 490 CB PHE A 31 -23.349 -6.538 4.807 1.00 0.00 C ATOM 491 CG PHE A 31 -24.114 -6.674 6.093 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.554 -7.334 7.175 1.00 0.00 C ATOM 493 CD2 PHE A 31 -25.381 -6.132 6.224 1.00 0.00 C ATOM 494 CE1 PHE A 31 -24.244 -7.452 8.365 1.00 0.00 C ATOM 495 CE2 PHE A 31 -26.077 -6.248 7.412 1.00 0.00 C ATOM 496 CZ PHE A 31 -25.508 -6.908 8.485 1.00 0.00 C ATOM 0 H PHE A 31 -20.938 -5.087 6.585 1.00 0.00 H new ATOM 0 HA PHE A 31 -21.346 -6.974 5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -23.846 -5.807 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.369 -7.490 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.566 -7.761 7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -25.830 -5.614 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.796 -7.969 9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -27.066 -5.823 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 31 -26.050 -6.998 9.415 1.00 0.00 H new ATOM 506 N GLU A 32 -20.535 -4.566 3.741 1.00 0.00 N ATOM 507 CA GLU A 32 -19.848 -4.054 2.563 1.00 0.00 C ATOM 508 C GLU A 32 -18.338 -4.161 2.751 1.00 0.00 C ATOM 509 O GLU A 32 -17.589 -4.290 1.787 1.00 0.00 O ATOM 510 CB GLU A 32 -20.250 -2.600 2.297 1.00 0.00 C ATOM 511 CG GLU A 32 -19.715 -1.612 3.325 1.00 0.00 C ATOM 512 CD GLU A 32 -19.510 -0.224 2.748 1.00 0.00 C ATOM 513 OE1 GLU A 32 -19.754 -0.041 1.536 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.107 0.682 3.507 1.00 0.00 O ATOM 0 H GLU A 32 -20.414 -3.996 4.578 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.139 -4.654 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.893 -2.310 1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -21.338 -2.533 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.409 -1.554 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.768 -1.981 3.720 1.00 0.00 H new ATOM 521 N ARG A 33 -17.904 -4.114 4.012 1.00 0.00 N ATOM 522 CA ARG A 33 -16.488 -4.209 4.353 1.00 0.00 C ATOM 523 C ARG A 33 -15.824 -5.371 3.624 1.00 0.00 C ATOM 524 O ARG A 33 -14.738 -5.228 3.064 1.00 0.00 O ATOM 525 CB ARG A 33 -16.329 -4.388 5.863 1.00 0.00 C ATOM 526 CG ARG A 33 -14.885 -4.487 6.318 1.00 0.00 C ATOM 527 CD ARG A 33 -14.776 -5.067 7.721 1.00 0.00 C ATOM 528 NE ARG A 33 -14.104 -6.366 7.726 1.00 0.00 N ATOM 529 CZ ARG A 33 -14.732 -7.534 7.603 1.00 0.00 C ATOM 530 NH1 ARG A 33 -16.052 -7.578 7.464 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.038 -8.663 7.619 1.00 0.00 N ATOM 0 H ARG A 33 -18.520 -4.010 4.818 1.00 0.00 H new ATOM 0 HA ARG A 33 -16.000 -3.286 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.804 -3.549 6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.860 -5.289 6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.326 -5.112 5.621 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.428 -3.498 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.228 -4.373 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.773 -5.173 8.148 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.089 -6.378 7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.593 -6.713 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.525 -8.477 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.024 -8.637 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.518 -9.558 7.525 1.00 0.00 H new ATOM 545 N SER A 34 -16.488 -6.520 3.635 1.00 0.00 N ATOM 546 CA SER A 34 -15.970 -7.708 2.975 1.00 0.00 C ATOM 547 C SER A 34 -15.741 -7.443 1.489 1.00 0.00 C ATOM 548 O SER A 34 -14.663 -7.709 0.955 1.00 0.00 O ATOM 549 CB SER A 34 -16.945 -8.872 3.158 1.00 0.00 C ATOM 550 OG SER A 34 -16.451 -10.055 2.555 1.00 0.00 O ATOM 0 H SER A 34 -17.388 -6.653 4.095 1.00 0.00 H new ATOM 0 HA SER A 34 -15.013 -7.968 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.113 -9.045 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.910 -8.614 2.721 1.00 0.00 H new ATOM 0 HG SER A 34 -17.093 -10.783 2.689 1.00 0.00 H new ATOM 556 N SER A 35 -16.767 -6.912 0.831 1.00 0.00 N ATOM 557 CA SER A 35 -16.688 -6.604 -0.590 1.00 0.00 C ATOM 558 C SER A 35 -15.616 -5.554 -0.867 1.00 0.00 C ATOM 559 O SER A 35 -14.839 -5.682 -1.814 1.00 0.00 O ATOM 560 CB SER A 35 -18.044 -6.114 -1.102 1.00 0.00 C ATOM 561 OG SER A 35 -19.072 -7.035 -0.787 1.00 0.00 O ATOM 0 H SER A 35 -17.664 -6.686 1.261 1.00 0.00 H new ATOM 0 HA SER A 35 -16.415 -7.518 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.273 -5.144 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.998 -5.971 -2.182 1.00 0.00 H new ATOM 0 HG SER A 35 -19.928 -6.697 -1.124 1.00 0.00 H new ATOM 567 N VAL A 36 -15.574 -4.515 -0.037 1.00 0.00 N ATOM 568 CA VAL A 36 -14.589 -3.455 -0.211 1.00 0.00 C ATOM 569 C VAL A 36 -13.180 -3.998 -0.046 1.00 0.00 C ATOM 570 O VAL A 36 -12.316 -3.755 -0.884 1.00 0.00 O ATOM 571 CB VAL A 36 -14.782 -2.283 0.772 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.137 -1.029 0.209 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.255 -2.041 1.071 1.00 0.00 C ATOM 0 H VAL A 36 -16.204 -4.386 0.755 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.737 -3.076 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.298 -2.543 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.276 -0.204 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.071 -1.203 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.600 -0.779 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.353 -1.208 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.780 -1.804 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.688 -2.937 1.515 1.00 0.00 H new ATOM 583 N GLY A 37 -12.951 -4.743 1.035 1.00 0.00 N ATOM 584 CA GLY A 37 -11.637 -5.314 1.272 1.00 0.00 C ATOM 585 C GLY A 37 -11.105 -6.007 0.038 1.00 0.00 C ATOM 586 O GLY A 37 -10.011 -5.696 -0.435 1.00 0.00 O ATOM 0 H GLY A 37 -13.649 -4.960 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.946 -4.527 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.691 -6.026 2.096 1.00 0.00 H new ATOM 590 N GLN A 38 -11.897 -6.925 -0.510 1.00 0.00 N ATOM 591 CA GLN A 38 -11.504 -7.626 -1.724 1.00 0.00 C ATOM 592 C GLN A 38 -11.262 -6.609 -2.833 1.00 0.00 C ATOM 593 O GLN A 38 -10.424 -6.811 -3.712 1.00 0.00 O ATOM 594 CB GLN A 38 -12.586 -8.621 -2.147 1.00 0.00 C ATOM 595 CG GLN A 38 -12.982 -9.591 -1.048 1.00 0.00 C ATOM 596 CD GLN A 38 -13.370 -10.955 -1.584 1.00 0.00 C ATOM 597 OE1 GLN A 38 -12.515 -11.740 -1.993 1.00 0.00 O ATOM 598 NE2 GLN A 38 -14.666 -11.244 -1.585 1.00 0.00 N ATOM 0 H GLN A 38 -12.806 -7.197 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.587 -8.184 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.469 -8.069 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.231 -9.186 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.152 -9.702 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.818 -9.175 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.341 -10.563 -1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.987 -12.147 -1.934 1.00 0.00 H new ATOM 607 N PHE A 39 -11.997 -5.500 -2.760 1.00 0.00 N ATOM 608 CA PHE A 39 -11.868 -4.423 -3.729 1.00 0.00 C ATOM 609 C PHE A 39 -10.515 -3.738 -3.582 1.00 0.00 C ATOM 610 O PHE A 39 -9.830 -3.469 -4.567 1.00 0.00 O ATOM 611 CB PHE A 39 -12.993 -3.403 -3.535 1.00 0.00 C ATOM 612 CG PHE A 39 -13.595 -2.922 -4.824 1.00 0.00 C ATOM 613 CD1 PHE A 39 -14.534 -3.688 -5.494 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.223 -1.701 -5.364 1.00 0.00 C ATOM 615 CE1 PHE A 39 -15.091 -3.248 -6.680 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.775 -1.255 -6.550 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.711 -2.030 -7.208 1.00 0.00 C ATOM 0 H PHE A 39 -12.691 -5.328 -2.033 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.941 -4.846 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.776 -3.850 -2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.605 -2.547 -2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.835 -4.641 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.493 -1.091 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -15.822 -3.856 -7.193 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.475 -0.303 -6.962 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.145 -1.683 -8.134 1.00 0.00 H new ATOM 627 N MET A 40 -10.140 -3.464 -2.337 1.00 0.00 N ATOM 628 CA MET A 40 -8.875 -2.810 -2.040 1.00 0.00 C ATOM 629 C MET A 40 -7.695 -3.670 -2.478 1.00 0.00 C ATOM 630 O MET A 40 -6.849 -3.229 -3.255 1.00 0.00 O ATOM 631 CB MET A 40 -8.774 -2.510 -0.545 1.00 0.00 C ATOM 632 CG MET A 40 -9.849 -1.559 -0.042 1.00 0.00 C ATOM 633 SD MET A 40 -9.890 -1.444 1.757 1.00 0.00 S ATOM 634 CE MET A 40 -11.579 -1.934 2.086 1.00 0.00 C ATOM 0 H MET A 40 -10.700 -3.687 -1.514 1.00 0.00 H new ATOM 0 HA MET A 40 -8.841 -1.874 -2.597 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.839 -3.446 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.794 -2.082 -0.334 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.677 -0.568 -0.461 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.822 -1.893 -0.403 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.115 -1.105 2.548 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.068 -2.205 1.150 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.585 -2.791 2.760 1.00 0.00 H new ATOM 644 N THR A 41 -7.644 -4.898 -1.972 1.00 0.00 N ATOM 645 CA THR A 41 -6.565 -5.818 -2.309 1.00 0.00 C ATOM 646 C THR A 41 -6.496 -6.054 -3.813 1.00 0.00 C ATOM 647 O THR A 41 -5.486 -5.761 -4.439 1.00 0.00 O ATOM 648 CB THR A 41 -6.758 -7.149 -1.584 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.270 -6.941 -0.280 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.483 -7.953 -1.455 1.00 0.00 C ATOM 0 H THR A 41 -8.337 -5.278 -1.328 1.00 0.00 H new ATOM 0 HA THR A 41 -5.626 -5.367 -1.988 1.00 0.00 H new ATOM 0 HB THR A 41 -7.461 -7.712 -2.199 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.388 -7.805 0.167 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.692 -8.885 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.091 -8.175 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.746 -7.379 -0.894 1.00 0.00 H new ATOM 658 N PHE A 42 -7.578 -6.580 -4.389 1.00 0.00 N ATOM 659 CA PHE A 42 -7.634 -6.847 -5.827 1.00 0.00 C ATOM 660 C PHE A 42 -7.031 -5.686 -6.614 1.00 0.00 C ATOM 661 O PHE A 42 -6.266 -5.884 -7.559 1.00 0.00 O ATOM 662 CB PHE A 42 -9.081 -7.079 -6.266 1.00 0.00 C ATOM 663 CG PHE A 42 -9.204 -7.690 -7.633 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.522 -8.854 -7.948 1.00 0.00 C ATOM 665 CD2 PHE A 42 -10.001 -7.100 -8.601 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.633 -9.419 -9.205 1.00 0.00 C ATOM 667 CE2 PHE A 42 -10.116 -7.661 -9.859 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.431 -8.822 -10.161 1.00 0.00 C ATOM 0 H PHE A 42 -8.427 -6.829 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.052 -7.746 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.572 -7.728 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.613 -6.128 -6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.897 -9.325 -7.204 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.538 -6.192 -8.370 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.096 -10.326 -9.439 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.741 -7.192 -10.605 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.519 -9.262 -11.143 1.00 0.00 H new ATOM 678 N PHE A 43 -7.369 -4.473 -6.198 1.00 0.00 N ATOM 679 CA PHE A 43 -6.852 -3.273 -6.839 1.00 0.00 C ATOM 680 C PHE A 43 -5.383 -3.089 -6.486 1.00 0.00 C ATOM 681 O PHE A 43 -4.574 -2.704 -7.327 1.00 0.00 O ATOM 682 CB PHE A 43 -7.663 -2.051 -6.390 1.00 0.00 C ATOM 683 CG PHE A 43 -8.002 -1.093 -7.496 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.303 -1.548 -8.771 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.022 0.272 -7.256 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.615 -0.662 -9.783 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.333 1.163 -8.263 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.630 0.696 -9.529 1.00 0.00 C ATOM 0 H PHE A 43 -8.001 -4.295 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.943 -3.377 -7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.588 -2.394 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.100 -1.518 -5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.293 -2.609 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.791 0.643 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.847 -1.030 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.344 2.224 -8.062 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.873 1.391 -10.319 1.00 0.00 H new ATOM 698 N ALA A 44 -5.051 -3.383 -5.233 1.00 0.00 N ATOM 699 CA ALA A 44 -3.680 -3.266 -4.745 1.00 0.00 C ATOM 700 C ALA A 44 -2.747 -4.228 -5.477 1.00 0.00 C ATOM 701 O ALA A 44 -1.619 -3.876 -5.837 1.00 0.00 O ATOM 702 CB ALA A 44 -3.643 -3.530 -3.250 1.00 0.00 C ATOM 0 H ALA A 44 -5.718 -3.706 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.332 -2.252 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.618 -3.442 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.272 -2.803 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.013 -4.535 -3.049 1.00 0.00 H new ATOM 708 N GLU A 45 -3.230 -5.438 -5.703 1.00 0.00 N ATOM 709 CA GLU A 45 -2.460 -6.449 -6.401 1.00 0.00 C ATOM 710 C GLU A 45 -2.325 -6.066 -7.867 1.00 0.00 C ATOM 711 O GLU A 45 -1.305 -6.332 -8.504 1.00 0.00 O ATOM 712 CB GLU A 45 -3.142 -7.808 -6.262 1.00 0.00 C ATOM 713 CG GLU A 45 -4.547 -7.833 -6.834 1.00 0.00 C ATOM 714 CD GLU A 45 -5.092 -9.239 -6.984 1.00 0.00 C ATOM 715 OE1 GLU A 45 -5.313 -9.904 -5.951 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.298 -9.675 -8.137 1.00 0.00 O ATOM 0 H GLU A 45 -4.158 -5.744 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.464 -6.515 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.538 -8.563 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.181 -8.082 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.209 -7.258 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.548 -7.342 -7.807 1.00 0.00 H new ATOM 723 N THR A 46 -3.363 -5.418 -8.392 1.00 0.00 N ATOM 724 CA THR A 46 -3.364 -4.972 -9.776 1.00 0.00 C ATOM 725 C THR A 46 -2.297 -3.905 -9.977 1.00 0.00 C ATOM 726 O THR A 46 -1.469 -4.007 -10.878 1.00 0.00 O ATOM 727 CB THR A 46 -4.748 -4.425 -10.155 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.595 -5.472 -10.594 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.715 -3.375 -11.250 1.00 0.00 C ATOM 0 H THR A 46 -4.213 -5.192 -7.876 1.00 0.00 H new ATOM 0 HA THR A 46 -3.139 -5.820 -10.423 1.00 0.00 H new ATOM 0 HB THR A 46 -5.125 -3.957 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.065 -5.856 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.730 -3.038 -11.462 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.112 -2.528 -10.924 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.280 -3.804 -12.153 1.00 0.00 H new ATOM 737 N VAL A 47 -2.323 -2.879 -9.133 1.00 0.00 N ATOM 738 CA VAL A 47 -1.348 -1.792 -9.226 1.00 0.00 C ATOM 739 C VAL A 47 0.071 -2.332 -9.267 1.00 0.00 C ATOM 740 O VAL A 47 0.788 -2.137 -10.246 1.00 0.00 O ATOM 741 CB VAL A 47 -1.438 -0.785 -8.054 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.906 0.565 -8.529 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.330 -1.270 -6.937 1.00 0.00 C ATOM 0 H VAL A 47 -3.003 -2.775 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.592 -1.270 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.427 -0.695 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.959 1.250 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.205 0.954 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.893 0.470 -8.981 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.356 -0.524 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.338 -1.428 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.941 -2.208 -6.542 1.00 0.00 H new ATOM 753 N ALA A 48 0.483 -3.020 -8.210 1.00 0.00 N ATOM 754 CA ALA A 48 1.823 -3.579 -8.182 1.00 0.00 C ATOM 755 C ALA A 48 2.031 -4.454 -9.414 1.00 0.00 C ATOM 756 O ALA A 48 3.141 -4.568 -9.932 1.00 0.00 O ATOM 757 CB ALA A 48 2.068 -4.351 -6.899 1.00 0.00 C ATOM 0 H ALA A 48 -0.079 -3.201 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 48 2.550 -2.767 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.079 -4.758 -6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.952 -3.684 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.349 -5.167 -6.822 1.00 0.00 H new ATOM 763 N SER A 49 0.934 -5.041 -9.896 1.00 0.00 N ATOM 764 CA SER A 49 0.972 -5.872 -11.088 1.00 0.00 C ATOM 765 C SER A 49 1.191 -4.993 -12.317 1.00 0.00 C ATOM 766 O SER A 49 1.991 -5.321 -13.192 1.00 0.00 O ATOM 767 CB SER A 49 -0.325 -6.677 -11.225 1.00 0.00 C ATOM 768 OG SER A 49 -0.660 -6.890 -12.586 1.00 0.00 O ATOM 0 H SER A 49 0.010 -4.952 -9.474 1.00 0.00 H new ATOM 0 HA SER A 49 1.799 -6.578 -11.004 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.214 -7.637 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.138 -6.148 -10.727 1.00 0.00 H new ATOM 0 HG SER A 49 -1.491 -7.407 -12.641 1.00 0.00 H new ATOM 774 N ARG A 50 0.493 -3.855 -12.361 1.00 0.00 N ATOM 775 CA ARG A 50 0.644 -2.920 -13.471 1.00 0.00 C ATOM 776 C ARG A 50 1.878 -2.054 -13.268 1.00 0.00 C ATOM 777 O ARG A 50 2.273 -1.299 -14.156 1.00 0.00 O ATOM 778 CB ARG A 50 -0.603 -2.045 -13.676 1.00 0.00 C ATOM 779 CG ARG A 50 -1.363 -1.730 -12.404 1.00 0.00 C ATOM 780 CD ARG A 50 -1.959 -0.331 -12.433 1.00 0.00 C ATOM 781 NE ARG A 50 -2.993 -0.196 -13.457 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.794 0.355 -14.654 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.600 0.828 -14.992 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.795 0.433 -15.520 1.00 0.00 N ATOM 0 H ARG A 50 -0.175 -3.564 -11.647 1.00 0.00 H new ATOM 0 HA ARG A 50 0.767 -3.513 -14.377 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.302 -1.109 -14.146 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.275 -2.549 -14.371 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.159 -2.461 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.694 -1.822 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.384 -0.098 -11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.168 0.396 -12.619 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.927 -0.546 -13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.824 0.772 -14.333 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.459 1.248 -15.911 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.715 0.072 -15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.645 0.854 -16.437 1.00 0.00 H new ATOM 798 N THR A 51 2.505 -2.194 -12.102 1.00 0.00 N ATOM 799 CA THR A 51 3.714 -1.453 -11.800 1.00 0.00 C ATOM 800 C THR A 51 4.924 -2.320 -12.134 1.00 0.00 C ATOM 801 O THR A 51 5.208 -3.300 -11.445 1.00 0.00 O ATOM 802 CB THR A 51 3.727 -1.041 -10.324 1.00 0.00 C ATOM 803 OG1 THR A 51 2.629 -0.197 -10.041 1.00 0.00 O ATOM 804 CG2 THR A 51 4.988 -0.310 -9.915 1.00 0.00 C ATOM 0 H THR A 51 2.191 -2.815 -11.356 1.00 0.00 H new ATOM 0 HA THR A 51 3.750 -0.544 -12.401 1.00 0.00 H new ATOM 0 HB THR A 51 3.672 -1.971 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.793 -0.682 -10.204 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.930 -0.048 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.852 -0.953 -10.083 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.091 0.598 -10.509 1.00 0.00 H new ATOM 812 N GLY A 52 5.613 -1.970 -13.214 1.00 0.00 N ATOM 813 CA GLY A 52 6.767 -2.743 -13.651 1.00 0.00 C ATOM 814 C GLY A 52 8.044 -2.444 -12.885 1.00 0.00 C ATOM 815 O GLY A 52 9.133 -2.483 -13.459 1.00 0.00 O ATOM 0 H GLY A 52 5.394 -1.163 -13.798 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.538 -3.804 -13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.939 -2.551 -14.710 1.00 0.00 H new ATOM 819 N ALA A 53 7.922 -2.165 -11.591 1.00 0.00 N ATOM 820 CA ALA A 53 9.085 -1.879 -10.759 1.00 0.00 C ATOM 821 C ALA A 53 9.870 -0.681 -11.282 1.00 0.00 C ATOM 822 O ALA A 53 9.988 -0.479 -12.490 1.00 0.00 O ATOM 823 CB ALA A 53 9.985 -3.101 -10.675 1.00 0.00 C ATOM 0 H ALA A 53 7.031 -2.131 -11.097 1.00 0.00 H new ATOM 0 HA ALA A 53 8.725 -1.630 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.849 -2.874 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.431 -3.932 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.321 -3.375 -11.675 1.00 0.00 H new ATOM 829 N GLY A 54 10.401 0.118 -10.363 1.00 0.00 N ATOM 830 CA GLY A 54 11.161 1.287 -10.749 1.00 0.00 C ATOM 831 C GLY A 54 10.270 2.431 -11.185 1.00 0.00 C ATOM 832 O GLY A 54 10.756 3.478 -11.612 1.00 0.00 O ATOM 0 H GLY A 54 10.317 -0.025 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.779 1.609 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.838 1.026 -11.562 1.00 0.00 H new ATOM 836 N GLU A 55 8.959 2.232 -11.079 1.00 0.00 N ATOM 837 CA GLU A 55 8.003 3.255 -11.466 1.00 0.00 C ATOM 838 C GLU A 55 6.929 3.432 -10.398 1.00 0.00 C ATOM 839 O GLU A 55 6.896 2.702 -9.407 1.00 0.00 O ATOM 840 CB GLU A 55 7.348 2.904 -12.806 1.00 0.00 C ATOM 841 CG GLU A 55 8.290 2.236 -13.795 1.00 0.00 C ATOM 842 CD GLU A 55 8.129 2.769 -15.206 1.00 0.00 C ATOM 843 OE1 GLU A 55 7.283 2.231 -15.951 1.00 0.00 O ATOM 844 OE2 GLU A 55 8.849 3.723 -15.566 1.00 0.00 O ATOM 0 H GLU A 55 8.539 1.371 -10.728 1.00 0.00 H new ATOM 0 HA GLU A 55 8.547 4.194 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.501 2.243 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.951 3.815 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.319 2.387 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.109 1.161 -13.794 1.00 0.00 H new ATOM 851 N ARG A 56 6.052 4.405 -10.611 1.00 0.00 N ATOM 852 CA ARG A 56 4.969 4.682 -9.674 1.00 0.00 C ATOM 853 C ARG A 56 3.636 4.739 -10.409 1.00 0.00 C ATOM 854 O ARG A 56 3.587 5.079 -11.590 1.00 0.00 O ATOM 855 CB ARG A 56 5.224 6.004 -8.944 1.00 0.00 C ATOM 856 CG ARG A 56 6.686 6.242 -8.605 1.00 0.00 C ATOM 857 CD ARG A 56 6.861 7.459 -7.712 1.00 0.00 C ATOM 858 NE ARG A 56 7.932 7.270 -6.738 1.00 0.00 N ATOM 859 CZ ARG A 56 9.227 7.374 -7.031 1.00 0.00 C ATOM 860 NH1 ARG A 56 9.614 7.665 -8.266 1.00 0.00 N ATOM 861 NH2 ARG A 56 10.137 7.188 -6.085 1.00 0.00 N ATOM 0 H ARG A 56 6.069 5.017 -11.427 1.00 0.00 H new ATOM 0 HA ARG A 56 4.931 3.877 -8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.865 6.826 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.640 6.020 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.093 5.362 -8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.256 6.379 -9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.079 8.332 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.927 7.663 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 56 7.673 7.045 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.918 7.811 -8.998 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.607 7.743 -8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.845 6.965 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.129 7.268 -6.309 1.00 0.00 H new ATOM 875 N GLN A 57 2.557 4.398 -9.712 1.00 0.00 N ATOM 876 CA GLN A 57 1.232 4.412 -10.326 1.00 0.00 C ATOM 877 C GLN A 57 0.212 5.141 -9.460 1.00 0.00 C ATOM 878 O GLN A 57 0.429 5.375 -8.272 1.00 0.00 O ATOM 879 CB GLN A 57 0.742 2.984 -10.598 1.00 0.00 C ATOM 880 CG GLN A 57 1.630 2.207 -11.555 1.00 0.00 C ATOM 881 CD GLN A 57 1.528 2.708 -12.983 1.00 0.00 C ATOM 882 OE1 GLN A 57 2.528 3.077 -13.597 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.311 2.723 -13.518 1.00 0.00 N ATOM 0 H GLN A 57 2.571 4.112 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 57 1.327 4.949 -11.270 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.681 2.444 -9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.268 3.027 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.666 2.278 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.356 1.152 -11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.490 2.408 -12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.179 3.050 -14.475 1.00 0.00 H new ATOM 892 N SER A 58 -0.911 5.465 -10.078 1.00 0.00 N ATOM 893 CA SER A 58 -2.013 6.134 -9.417 1.00 0.00 C ATOM 894 C SER A 58 -3.296 5.738 -10.129 1.00 0.00 C ATOM 895 O SER A 58 -3.597 6.232 -11.216 1.00 0.00 O ATOM 896 CB SER A 58 -1.828 7.652 -9.449 1.00 0.00 C ATOM 897 OG SER A 58 -2.239 8.243 -8.228 1.00 0.00 O ATOM 0 H SER A 58 -1.083 5.268 -11.064 1.00 0.00 H new ATOM 0 HA SER A 58 -2.054 5.835 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.781 7.890 -9.637 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.404 8.074 -10.273 1.00 0.00 H new ATOM 0 HG SER A 58 -1.527 8.146 -7.562 1.00 0.00 H new ATOM 903 N ILE A 59 -4.029 4.822 -9.523 1.00 0.00 N ATOM 904 CA ILE A 59 -5.268 4.322 -10.110 1.00 0.00 C ATOM 905 C ILE A 59 -6.474 5.083 -9.582 1.00 0.00 C ATOM 906 O ILE A 59 -6.884 4.910 -8.434 1.00 0.00 O ATOM 907 CB ILE A 59 -5.453 2.803 -9.860 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.494 2.311 -8.780 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.233 2.021 -11.143 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.803 0.925 -8.274 1.00 0.00 C ATOM 0 H ILE A 59 -3.791 4.406 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.193 4.483 -11.185 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.475 2.640 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.479 2.325 -9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.519 3.007 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.367 0.957 -10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.952 2.346 -11.895 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.221 2.198 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.078 0.647 -7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.806 0.909 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.749 0.216 -9.100 1.00 0.00 H new ATOM 922 N GLU A 60 -7.034 5.929 -10.436 1.00 0.00 N ATOM 923 CA GLU A 60 -8.194 6.731 -10.076 1.00 0.00 C ATOM 924 C GLU A 60 -9.484 6.006 -10.438 1.00 0.00 C ATOM 925 O GLU A 60 -9.823 5.870 -11.614 1.00 0.00 O ATOM 926 CB GLU A 60 -8.140 8.086 -10.784 1.00 0.00 C ATOM 927 CG GLU A 60 -8.213 7.984 -12.299 1.00 0.00 C ATOM 928 CD GLU A 60 -7.219 8.892 -12.995 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.022 8.536 -13.042 1.00 0.00 O ATOM 930 OE2 GLU A 60 -7.637 9.958 -13.493 1.00 0.00 O ATOM 0 H GLU A 60 -6.701 6.078 -11.388 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.178 6.892 -8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.964 8.705 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.217 8.595 -10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.028 6.952 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.221 8.236 -12.628 1.00 0.00 H new ATOM 937 N GLU A 61 -10.198 5.544 -9.421 1.00 0.00 N ATOM 938 CA GLU A 61 -11.453 4.832 -9.631 1.00 0.00 C ATOM 939 C GLU A 61 -12.638 5.701 -9.227 1.00 0.00 C ATOM 940 O GLU A 61 -12.464 6.779 -8.657 1.00 0.00 O ATOM 941 CB GLU A 61 -11.462 3.524 -8.834 1.00 0.00 C ATOM 942 CG GLU A 61 -11.543 2.283 -9.706 1.00 0.00 C ATOM 943 CD GLU A 61 -12.907 2.108 -10.345 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.917 2.166 -9.612 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.965 1.915 -11.578 1.00 0.00 O ATOM 0 H GLU A 61 -9.931 5.649 -8.442 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.541 4.598 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.559 3.472 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.309 3.532 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.785 2.342 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.313 1.404 -9.104 1.00 0.00 H new ATOM 952 N GLY A 62 -13.844 5.226 -9.519 1.00 0.00 N ATOM 953 CA GLY A 62 -15.039 5.974 -9.173 1.00 0.00 C ATOM 954 C GLY A 62 -15.360 5.888 -7.695 1.00 0.00 C ATOM 955 O GLY A 62 -16.464 5.498 -7.313 1.00 0.00 O ATOM 0 H GLY A 62 -14.016 4.337 -9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.906 7.019 -9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.883 5.594 -9.749 1.00 0.00 H new ATOM 959 N ASN A 63 -14.391 6.254 -6.863 1.00 0.00 N ATOM 960 CA ASN A 63 -14.565 6.219 -5.416 1.00 0.00 C ATOM 961 C ASN A 63 -13.309 6.714 -4.709 1.00 0.00 C ATOM 962 O ASN A 63 -13.391 7.392 -3.685 1.00 0.00 O ATOM 963 CB ASN A 63 -14.898 4.800 -4.951 1.00 0.00 C ATOM 964 CG ASN A 63 -15.689 4.787 -3.658 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.330 5.459 -2.691 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.772 4.018 -3.634 1.00 0.00 N ATOM 0 H ASN A 63 -13.474 6.579 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.393 6.879 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.468 4.290 -5.728 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.974 4.239 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.343 3.968 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.032 3.478 -4.459 1.00 0.00 H new ATOM 973 N TYR A 64 -12.148 6.370 -5.256 1.00 0.00 N ATOM 974 CA TYR A 64 -10.881 6.784 -4.663 1.00 0.00 C ATOM 975 C TYR A 64 -9.707 6.551 -5.612 1.00 0.00 C ATOM 976 O TYR A 64 -9.883 6.123 -6.753 1.00 0.00 O ATOM 977 CB TYR A 64 -10.640 6.048 -3.340 1.00 0.00 C ATOM 978 CG TYR A 64 -11.313 4.693 -3.244 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.663 3.540 -3.672 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.593 4.566 -2.717 1.00 0.00 C ATOM 981 CE1 TYR A 64 -11.272 2.302 -3.579 1.00 0.00 C ATOM 982 CE2 TYR A 64 -13.206 3.331 -2.621 1.00 0.00 C ATOM 983 CZ TYR A 64 -12.542 2.204 -3.052 1.00 0.00 C ATOM 984 OH TYR A 64 -13.149 0.972 -2.958 1.00 0.00 O ATOM 0 H TYR A 64 -12.058 5.809 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.948 7.855 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.567 5.917 -3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.993 6.674 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.667 3.613 -4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.117 5.447 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.755 1.416 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.201 3.250 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.040 1.076 -2.564 1.00 0.00 H new ATOM 994 N ILE A 65 -8.511 6.847 -5.117 1.00 0.00 N ATOM 995 CA ILE A 65 -7.278 6.693 -5.884 1.00 0.00 C ATOM 996 C ILE A 65 -6.466 5.507 -5.371 1.00 0.00 C ATOM 997 O ILE A 65 -6.668 5.036 -4.252 1.00 0.00 O ATOM 998 CB ILE A 65 -6.415 7.982 -5.792 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.817 8.971 -6.885 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.917 7.679 -5.881 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.904 10.174 -6.960 1.00 0.00 C ATOM 0 H ILE A 65 -8.367 7.201 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.552 6.515 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.603 8.428 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.815 8.460 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.838 9.308 -6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.353 8.609 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.630 7.019 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.700 7.193 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.242 10.838 -7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.925 10.706 -6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.886 9.846 -7.170 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.530 5.043 -6.187 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.690 3.939 -5.785 1.00 0.00 C ATOM 1015 C GLY A 66 -3.236 4.172 -6.128 1.00 0.00 C ATOM 1016 O GLY A 66 -2.703 3.581 -7.067 1.00 0.00 O ATOM 0 H GLY A 66 -5.339 5.412 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.787 3.783 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.035 3.027 -6.272 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.590 5.038 -5.357 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.188 5.353 -5.578 1.00 0.00 C ATOM 1022 C HIS A 67 -0.333 4.091 -5.520 1.00 0.00 C ATOM 1023 O HIS A 67 -0.754 3.066 -4.982 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.697 6.367 -4.543 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.381 7.695 -4.636 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.374 8.469 -5.778 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.100 8.388 -3.721 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.056 9.579 -5.560 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.508 9.554 -4.320 1.00 0.00 N ATOM 0 H HIS A 67 -3.016 5.534 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.093 5.790 -6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.850 5.958 -3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.376 6.511 -4.668 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.313 8.080 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.217 10.372 -6.275 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.069 10.283 -3.879 1.00 0.00 H new ATOM 1038 N VAL A 68 0.865 4.172 -6.082 1.00 0.00 N ATOM 1039 CA VAL A 68 1.785 3.042 -6.106 1.00 0.00 C ATOM 1040 C VAL A 68 3.223 3.535 -6.153 1.00 0.00 C ATOM 1041 O VAL A 68 3.514 4.565 -6.761 1.00 0.00 O ATOM 1042 CB VAL A 68 1.472 2.114 -7.311 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.702 1.725 -8.114 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.777 0.861 -6.848 1.00 0.00 C ATOM 0 H VAL A 68 1.225 5.014 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 68 1.655 2.462 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 68 0.823 2.694 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.408 1.077 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.177 2.623 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.405 1.196 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.566 0.224 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.419 0.326 -6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.158 1.125 -6.354 1.00 0.00 H new ATOM 1054 N TYR A 69 4.119 2.802 -5.506 1.00 0.00 N ATOM 1055 CA TYR A 69 5.522 3.182 -5.477 1.00 0.00 C ATOM 1056 C TYR A 69 6.427 1.960 -5.487 1.00 0.00 C ATOM 1057 O TYR A 69 6.427 1.163 -4.549 1.00 0.00 O ATOM 1058 CB TYR A 69 5.801 4.033 -4.244 1.00 0.00 C ATOM 1059 CG TYR A 69 4.870 5.214 -4.115 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.989 6.312 -4.958 1.00 0.00 C ATOM 1061 CD2 TYR A 69 3.868 5.230 -3.154 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.138 7.394 -4.844 1.00 0.00 C ATOM 1063 CE2 TYR A 69 3.013 6.307 -3.034 1.00 0.00 C ATOM 1064 CZ TYR A 69 3.151 7.386 -3.881 1.00 0.00 C ATOM 1065 OH TYR A 69 2.301 8.462 -3.765 1.00 0.00 O ATOM 0 H TYR A 69 3.900 1.946 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 69 5.736 3.763 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.714 3.411 -3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.830 4.392 -4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.759 6.320 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.756 4.386 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.245 8.241 -5.505 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.240 6.304 -2.280 1.00 0.00 H new ATOM 0 HH TYR A 69 1.372 8.150 -3.797 1.00 0.00 H new ATOM 1075 N ALA A 70 7.201 1.826 -6.555 1.00 0.00 N ATOM 1076 CA ALA A 70 8.121 0.707 -6.697 1.00 0.00 C ATOM 1077 C ALA A 70 9.563 1.164 -6.519 1.00 0.00 C ATOM 1078 O ALA A 70 9.926 2.271 -6.916 1.00 0.00 O ATOM 1079 CB ALA A 70 7.941 0.043 -8.051 1.00 0.00 C ATOM 0 H ALA A 70 7.210 2.480 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 70 7.895 -0.020 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.636 -0.792 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.919 -0.324 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.139 0.768 -8.841 1.00 0.00 H new ATOM 1085 N ARG A 71 10.383 0.306 -5.922 1.00 0.00 N ATOM 1086 CA ARG A 71 11.786 0.630 -5.698 1.00 0.00 C ATOM 1087 C ARG A 71 12.665 -0.010 -6.767 1.00 0.00 C ATOM 1088 O ARG A 71 12.191 -0.806 -7.578 1.00 0.00 O ATOM 1089 CB ARG A 71 12.226 0.164 -4.306 1.00 0.00 C ATOM 1090 CG ARG A 71 12.568 1.306 -3.363 1.00 0.00 C ATOM 1091 CD ARG A 71 14.000 1.779 -3.557 1.00 0.00 C ATOM 1092 NE ARG A 71 14.576 2.311 -2.324 1.00 0.00 N ATOM 1093 CZ ARG A 71 15.878 2.524 -2.145 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.741 2.252 -3.118 1.00 0.00 N ATOM 1095 NH2 ARG A 71 16.319 3.009 -0.992 1.00 0.00 N ATOM 0 H ARG A 71 10.102 -0.615 -5.586 1.00 0.00 H new ATOM 0 HA ARG A 71 11.899 1.712 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.430 -0.435 -3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.095 -0.486 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.883 2.137 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.427 0.982 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.610 0.949 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.026 2.548 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 71 13.943 2.532 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.407 1.878 -4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.738 2.417 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.661 3.219 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.317 3.172 -0.855 1.00 0.00 H new ATOM 1109 N SER A 72 13.945 0.339 -6.760 1.00 0.00 N ATOM 1110 CA SER A 72 14.890 -0.207 -7.727 1.00 0.00 C ATOM 1111 C SER A 72 15.601 -1.428 -7.152 1.00 0.00 C ATOM 1112 O SER A 72 16.803 -1.610 -7.348 1.00 0.00 O ATOM 1113 CB SER A 72 15.915 0.856 -8.127 1.00 0.00 C ATOM 1114 OG SER A 72 16.626 0.467 -9.289 1.00 0.00 O ATOM 0 H SER A 72 14.353 0.997 -6.096 1.00 0.00 H new ATOM 0 HA SER A 72 14.334 -0.513 -8.613 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.409 1.804 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.614 1.019 -7.307 1.00 0.00 H new ATOM 0 HG SER A 72 17.053 -0.402 -9.136 1.00 0.00 H new ATOM 1120 N GLU A 73 14.850 -2.258 -6.434 1.00 0.00 N ATOM 1121 CA GLU A 73 15.406 -3.458 -5.823 1.00 0.00 C ATOM 1122 C GLU A 73 14.769 -4.717 -6.407 1.00 0.00 C ATOM 1123 O GLU A 73 15.462 -5.572 -6.957 1.00 0.00 O ATOM 1124 CB GLU A 73 15.208 -3.418 -4.307 1.00 0.00 C ATOM 1125 CG GLU A 73 16.384 -2.812 -3.554 1.00 0.00 C ATOM 1126 CD GLU A 73 16.843 -1.492 -4.143 1.00 0.00 C ATOM 1127 OE1 GLU A 73 15.975 -0.685 -4.539 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.069 -1.265 -4.207 1.00 0.00 O ATOM 0 H GLU A 73 13.854 -2.120 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 73 16.474 -3.487 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.309 -2.845 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.039 -4.432 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.103 -2.661 -2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.216 -3.516 -3.561 1.00 0.00 H new ATOM 1135 N GLY A 74 13.447 -4.829 -6.289 1.00 0.00 N ATOM 1136 CA GLY A 74 12.762 -5.994 -6.822 1.00 0.00 C ATOM 1137 C GLY A 74 11.346 -6.160 -6.298 1.00 0.00 C ATOM 1138 O GLY A 74 10.505 -6.763 -6.963 1.00 0.00 O ATOM 0 H GLY A 74 12.844 -4.141 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.732 -5.921 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.338 -6.887 -6.578 1.00 0.00 H new ATOM 1142 N ILE A 75 11.077 -5.634 -5.105 1.00 0.00 N ATOM 1143 CA ILE A 75 9.745 -5.745 -4.511 1.00 0.00 C ATOM 1144 C ILE A 75 9.106 -4.364 -4.351 1.00 0.00 C ATOM 1145 O ILE A 75 9.650 -3.486 -3.680 1.00 0.00 O ATOM 1146 CB ILE A 75 9.783 -6.532 -3.163 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.553 -5.635 -1.942 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.102 -7.280 -3.013 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.743 -4.764 -1.587 1.00 0.00 C ATOM 0 H ILE A 75 11.756 -5.131 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 75 9.118 -6.320 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 75 8.959 -7.245 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.690 -4.996 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.305 -6.261 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.108 -7.822 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.216 -7.986 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.928 -6.568 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.503 -4.159 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.603 -5.396 -1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.979 -4.111 -2.427 1.00 0.00 H new ATOM 1161 N CYS A 76 7.959 -4.175 -5.003 1.00 0.00 N ATOM 1162 CA CYS A 76 7.249 -2.896 -4.969 1.00 0.00 C ATOM 1163 C CYS A 76 6.120 -2.895 -3.945 1.00 0.00 C ATOM 1164 O CYS A 76 5.684 -3.947 -3.480 1.00 0.00 O ATOM 1165 CB CYS A 76 6.679 -2.572 -6.354 1.00 0.00 C ATOM 1166 SG CYS A 76 7.735 -3.076 -7.733 1.00 0.00 S ATOM 0 H CYS A 76 7.500 -4.894 -5.563 1.00 0.00 H new ATOM 0 HA CYS A 76 7.971 -2.134 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.710 -3.059 -6.458 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.504 -1.498 -6.420 1.00 0.00 H new ATOM 0 HG CYS A 76 7.376 -4.255 -8.146 1.00 0.00 H new ATOM 1172 N GLY A 77 5.645 -1.696 -3.610 1.00 0.00 N ATOM 1173 CA GLY A 77 4.561 -1.557 -2.655 1.00 0.00 C ATOM 1174 C GLY A 77 3.406 -0.756 -3.218 1.00 0.00 C ATOM 1175 O GLY A 77 3.566 -0.056 -4.219 1.00 0.00 O ATOM 0 H GLY A 77 5.995 -0.815 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.207 -2.546 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.933 -1.071 -1.753 1.00 0.00 H new ATOM 1179 N VAL A 78 2.231 -0.858 -2.594 1.00 0.00 N ATOM 1180 CA VAL A 78 1.068 -0.130 -3.083 1.00 0.00 C ATOM 1181 C VAL A 78 0.470 0.796 -2.022 1.00 0.00 C ATOM 1182 O VAL A 78 0.507 0.506 -0.826 1.00 0.00 O ATOM 1183 CB VAL A 78 -0.017 -1.100 -3.608 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.404 -0.465 -3.597 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.339 -1.586 -5.002 1.00 0.00 C ATOM 0 H VAL A 78 2.064 -1.428 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 78 1.419 0.492 -3.906 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.048 -1.955 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.135 -1.181 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.666 -0.181 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.404 0.421 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.434 -2.268 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.410 -0.733 -5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.296 -2.106 -4.972 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.087 1.912 -2.490 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.713 2.903 -1.618 1.00 0.00 C ATOM 1197 C LEU A 79 -2.054 3.351 -2.200 1.00 0.00 C ATOM 1198 O LEU A 79 -2.091 4.162 -3.121 1.00 0.00 O ATOM 1199 CB LEU A 79 0.213 4.113 -1.458 1.00 0.00 C ATOM 1200 CG LEU A 79 0.531 4.507 -0.012 1.00 0.00 C ATOM 1201 CD1 LEU A 79 2.033 4.629 0.193 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -0.165 5.812 0.349 1.00 0.00 C ATOM 0 H LEU A 79 -0.117 2.154 -3.481 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.887 2.451 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.150 3.904 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.243 4.967 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 79 0.159 3.723 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.238 4.910 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.509 3.673 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.431 5.392 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.071 6.077 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.178 6.604 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.243 5.691 0.244 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.155 2.819 -1.672 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.485 3.178 -2.171 1.00 0.00 C ATOM 1216 C ILE A 80 -5.228 4.091 -1.196 1.00 0.00 C ATOM 1217 O ILE A 80 -5.505 3.712 -0.059 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.354 1.927 -2.469 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.605 0.644 -2.102 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.768 1.895 -3.932 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.326 -0.623 -2.510 1.00 0.00 C ATOM 0 H ILE A 80 -3.156 2.145 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.321 3.716 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.253 1.989 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.623 0.660 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.440 0.626 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.376 1.010 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.346 2.789 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.879 1.863 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.733 -1.489 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.297 -0.664 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.467 -0.629 -3.591 1.00 0.00 H new ATOM 1233 N THR A 81 -5.549 5.297 -1.660 1.00 0.00 N ATOM 1234 CA THR A 81 -6.261 6.278 -0.844 1.00 0.00 C ATOM 1235 C THR A 81 -7.302 7.018 -1.679 1.00 0.00 C ATOM 1236 O THR A 81 -7.549 6.658 -2.822 1.00 0.00 O ATOM 1237 CB THR A 81 -5.286 7.271 -0.212 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.975 8.402 0.286 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.228 7.764 -1.166 1.00 0.00 C ATOM 0 H THR A 81 -5.326 5.619 -2.602 1.00 0.00 H new ATOM 0 HA THR A 81 -6.773 5.743 -0.044 1.00 0.00 H new ATOM 0 HB THR A 81 -4.797 6.720 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.402 8.880 0.921 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.571 8.465 -0.651 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.643 6.919 -1.529 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.703 8.265 -2.009 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.917 8.047 -1.101 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.936 8.819 -1.801 1.00 0.00 C ATOM 1249 C ASP A 82 -8.306 9.911 -2.659 1.00 0.00 C ATOM 1250 O ASP A 82 -7.136 10.254 -2.485 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.907 9.442 -0.796 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.138 10.022 -1.462 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.093 11.202 -1.869 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.149 9.297 -1.577 1.00 0.00 O ATOM 0 H ASP A 82 -7.726 8.364 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.482 8.141 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.211 8.685 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.395 10.227 -0.240 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.090 10.456 -3.585 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.609 11.512 -4.468 1.00 0.00 C ATOM 1261 C LYS A 83 -8.097 12.699 -3.658 1.00 0.00 C ATOM 1262 O LYS A 83 -7.152 13.378 -4.061 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.723 11.963 -5.415 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.303 11.996 -6.875 1.00 0.00 C ATOM 1265 CD LYS A 83 -8.700 13.339 -7.253 1.00 0.00 C ATOM 1266 CE LYS A 83 -9.663 14.168 -8.086 1.00 0.00 C ATOM 1267 NZ LYS A 83 -9.009 15.382 -8.648 1.00 0.00 N ATOM 0 H LYS A 83 -10.060 10.184 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.784 11.114 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.575 11.292 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.060 12.957 -5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.577 11.205 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.167 11.793 -7.508 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.435 13.887 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.778 13.180 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.057 13.558 -8.899 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.512 14.465 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.700 15.920 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.656 15.977 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.214 15.098 -9.256 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.723 12.938 -2.508 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.327 14.034 -1.632 1.00 0.00 C ATOM 1283 C GLN A 84 -7.231 13.582 -0.671 1.00 0.00 C ATOM 1284 O GLN A 84 -7.312 13.804 0.538 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.535 14.552 -0.850 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.337 15.600 -1.601 1.00 0.00 C ATOM 1287 CD GLN A 84 -11.690 15.088 -2.054 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.947 13.884 -2.043 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -12.564 16.003 -2.459 1.00 0.00 N ATOM 0 H GLN A 84 -9.508 12.386 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.935 14.843 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.187 13.713 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.193 14.975 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.478 16.471 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.769 15.932 -2.470 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.309 16.991 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.490 15.718 -2.777 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.208 12.943 -1.226 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.087 12.447 -0.453 1.00 0.00 C ATOM 1300 C TYR A 85 -3.796 12.710 -1.215 1.00 0.00 C ATOM 1301 O TYR A 85 -3.334 11.869 -1.985 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.265 10.953 -0.201 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.218 10.342 0.701 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.950 10.039 0.224 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.507 10.046 2.026 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.999 9.465 1.040 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.562 9.472 2.848 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.310 9.183 2.351 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.366 8.616 3.170 1.00 0.00 O ATOM 0 H TYR A 85 -6.137 12.756 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.041 12.960 0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.248 10.786 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.251 10.432 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.704 10.257 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.488 10.269 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.016 9.238 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.802 9.250 3.877 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.535 8.483 2.668 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.212 13.902 -1.029 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.981 14.303 -1.710 1.00 0.00 C ATOM 1321 C PRO A 86 -0.967 13.170 -1.851 1.00 0.00 C ATOM 1322 O PRO A 86 -0.874 12.292 -0.993 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.450 15.396 -0.796 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.672 16.051 -0.251 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.719 14.972 -0.146 1.00 0.00 C ATOM 0 HA PRO A 86 -2.162 14.617 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.832 14.982 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.830 16.105 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.473 16.496 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.007 16.855 -0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.833 14.623 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.696 15.330 -0.471 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.224 13.196 -2.952 1.00 0.00 N ATOM 1334 CA VAL A 87 0.783 12.177 -3.239 1.00 0.00 C ATOM 1335 C VAL A 87 2.071 12.408 -2.453 1.00 0.00 C ATOM 1336 O VAL A 87 2.793 11.462 -2.137 1.00 0.00 O ATOM 1337 CB VAL A 87 1.130 12.144 -4.741 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.851 10.854 -5.093 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.122 12.318 -5.590 1.00 0.00 C ATOM 0 H VAL A 87 -0.301 13.919 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 87 0.346 11.225 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 87 1.799 12.977 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.088 10.848 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.773 10.783 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.210 10.004 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.148 12.291 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.823 11.512 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.588 13.276 -5.359 1.00 0.00 H new ATOM 1349 N ARG A 88 2.368 13.671 -2.163 1.00 0.00 N ATOM 1350 CA ARG A 88 3.590 14.031 -1.441 1.00 0.00 C ATOM 1351 C ARG A 88 3.789 13.161 -0.201 1.00 0.00 C ATOM 1352 O ARG A 88 4.843 12.547 -0.035 1.00 0.00 O ATOM 1353 CB ARG A 88 3.585 15.513 -1.061 1.00 0.00 C ATOM 1354 CG ARG A 88 3.036 16.413 -2.157 1.00 0.00 C ATOM 1355 CD ARG A 88 4.062 17.434 -2.618 1.00 0.00 C ATOM 1356 NE ARG A 88 3.812 18.755 -2.048 1.00 0.00 N ATOM 1357 CZ ARG A 88 2.759 19.510 -2.357 1.00 0.00 C ATOM 1358 NH1 ARG A 88 1.859 19.077 -3.231 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.608 20.700 -1.793 1.00 0.00 N ATOM 0 H ARG A 88 1.780 14.465 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 88 4.429 13.849 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.990 15.647 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.602 15.823 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.724 15.803 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.148 16.930 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.060 17.099 -2.334 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.045 17.499 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 88 4.484 19.121 -1.373 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.972 18.163 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.054 19.658 -3.465 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.298 21.038 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.802 21.278 -2.030 1.00 0.00 H new ATOM 1373 N PRO A 89 2.782 13.071 0.682 1.00 0.00 N ATOM 1374 CA PRO A 89 2.883 12.243 1.881 1.00 0.00 C ATOM 1375 C PRO A 89 2.906 10.771 1.513 1.00 0.00 C ATOM 1376 O PRO A 89 3.533 9.959 2.191 1.00 0.00 O ATOM 1377 CB PRO A 89 1.624 12.591 2.690 1.00 0.00 C ATOM 1378 CG PRO A 89 1.034 13.791 2.020 1.00 0.00 C ATOM 1379 CD PRO A 89 1.476 13.730 0.586 1.00 0.00 C ATOM 0 HA PRO A 89 3.798 12.428 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.919 11.759 2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.873 12.805 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.054 13.782 2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.378 14.710 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.779 13.161 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.554 14.723 0.143 1.00 0.00 H new ATOM 1387 N ALA A 90 2.254 10.442 0.403 1.00 0.00 N ATOM 1388 CA ALA A 90 2.245 9.078 -0.082 1.00 0.00 C ATOM 1389 C ALA A 90 3.653 8.719 -0.516 1.00 0.00 C ATOM 1390 O ALA A 90 4.088 7.575 -0.384 1.00 0.00 O ATOM 1391 CB ALA A 90 1.259 8.918 -1.231 1.00 0.00 C ATOM 0 H ALA A 90 1.729 11.102 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 90 1.922 8.403 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.270 7.885 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.257 9.175 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.544 9.579 -2.049 1.00 0.00 H new ATOM 1397 N TYR A 91 4.380 9.730 -0.996 1.00 0.00 N ATOM 1398 CA TYR A 91 5.758 9.536 -1.402 1.00 0.00 C ATOM 1399 C TYR A 91 6.587 9.223 -0.165 1.00 0.00 C ATOM 1400 O TYR A 91 7.405 8.299 -0.159 1.00 0.00 O ATOM 1401 CB TYR A 91 6.302 10.782 -2.105 1.00 0.00 C ATOM 1402 CG TYR A 91 6.191 10.733 -3.613 1.00 0.00 C ATOM 1403 CD1 TYR A 91 7.158 10.096 -4.380 1.00 0.00 C ATOM 1404 CD2 TYR A 91 5.121 11.329 -4.269 1.00 0.00 C ATOM 1405 CE1 TYR A 91 7.060 10.052 -5.757 1.00 0.00 C ATOM 1406 CE2 TYR A 91 5.016 11.289 -5.646 1.00 0.00 C ATOM 1407 CZ TYR A 91 5.988 10.650 -6.386 1.00 0.00 C ATOM 1408 OH TYR A 91 5.888 10.609 -7.757 1.00 0.00 O ATOM 0 H TYR A 91 4.033 10.682 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 91 5.814 8.708 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.765 11.657 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.349 10.913 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.000 9.628 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.359 11.832 -3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.820 9.551 -6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.177 11.756 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 91 5.074 11.076 -8.040 1.00 0.00 H new ATOM 1418 N THR A 92 6.340 9.983 0.903 1.00 0.00 N ATOM 1419 CA THR A 92 7.037 9.768 2.160 1.00 0.00 C ATOM 1420 C THR A 92 6.794 8.347 2.641 1.00 0.00 C ATOM 1421 O THR A 92 7.697 7.680 3.146 1.00 0.00 O ATOM 1422 CB THR A 92 6.548 10.753 3.215 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.553 12.078 2.712 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.375 10.734 4.481 1.00 0.00 C ATOM 0 H THR A 92 5.665 10.748 0.918 1.00 0.00 H new ATOM 0 HA THR A 92 8.104 9.924 2.000 1.00 0.00 H new ATOM 0 HB THR A 92 5.535 10.432 3.459 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.234 12.692 3.406 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.973 11.458 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.342 9.738 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.407 10.992 4.245 1.00 0.00 H new ATOM 1432 N LEU A 93 5.556 7.892 2.470 1.00 0.00 N ATOM 1433 CA LEU A 93 5.171 6.548 2.874 1.00 0.00 C ATOM 1434 C LEU A 93 6.025 5.519 2.165 1.00 0.00 C ATOM 1435 O LEU A 93 6.705 4.722 2.806 1.00 0.00 O ATOM 1436 CB LEU A 93 3.688 6.305 2.596 1.00 0.00 C ATOM 1437 CG LEU A 93 2.868 5.872 3.811 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.398 5.754 3.448 1.00 0.00 C ATOM 1439 CD2 LEU A 93 3.392 4.558 4.360 1.00 0.00 C ATOM 0 H LEU A 93 4.802 8.438 2.053 1.00 0.00 H new ATOM 0 HA LEU A 93 5.335 6.450 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.255 7.219 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.598 5.540 1.824 1.00 0.00 H new ATOM 0 HG LEU A 93 2.967 6.633 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.830 5.445 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.031 6.719 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.277 5.013 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.798 4.262 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.321 3.788 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.433 4.678 4.659 1.00 0.00 H new ATOM 1451 N LEU A 94 6.023 5.557 0.841 1.00 0.00 N ATOM 1452 CA LEU A 94 6.841 4.634 0.075 1.00 0.00 C ATOM 1453 C LEU A 94 8.293 4.744 0.527 1.00 0.00 C ATOM 1454 O LEU A 94 9.088 3.827 0.329 1.00 0.00 O ATOM 1455 CB LEU A 94 6.727 4.931 -1.424 1.00 0.00 C ATOM 1456 CG LEU A 94 7.782 5.889 -1.994 1.00 0.00 C ATOM 1457 CD1 LEU A 94 8.929 5.109 -2.617 1.00 0.00 C ATOM 1458 CD2 LEU A 94 7.158 6.827 -3.014 1.00 0.00 C ATOM 0 H LEU A 94 5.472 6.208 0.282 1.00 0.00 H new ATOM 0 HA LEU A 94 6.487 3.618 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.787 3.988 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.740 5.349 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 94 8.179 6.489 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.668 5.804 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.395 4.480 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.547 4.483 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.922 7.498 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.732 6.245 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.372 7.412 -2.537 1.00 0.00 H new ATOM 1470 N ASN A 95 8.630 5.883 1.138 1.00 0.00 N ATOM 1471 CA ASN A 95 9.986 6.116 1.611 1.00 0.00 C ATOM 1472 C ASN A 95 10.268 5.346 2.896 1.00 0.00 C ATOM 1473 O ASN A 95 11.339 4.760 3.057 1.00 0.00 O ATOM 1474 CB ASN A 95 10.215 7.610 1.839 1.00 0.00 C ATOM 1475 CG ASN A 95 11.616 8.045 1.460 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.431 7.237 1.013 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.906 9.329 1.638 1.00 0.00 N ATOM 0 H ASN A 95 7.982 6.651 1.313 1.00 0.00 H new ATOM 0 HA ASN A 95 10.673 5.757 0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.491 8.179 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 95 10.036 7.846 2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.834 9.680 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.201 9.964 2.011 1.00 0.00 H new ATOM 1484 N LYS A 96 9.300 5.341 3.806 1.00 0.00 N ATOM 1485 CA LYS A 96 9.457 4.644 5.072 1.00 0.00 C ATOM 1486 C LYS A 96 9.195 3.163 4.890 1.00 0.00 C ATOM 1487 O LYS A 96 9.946 2.325 5.377 1.00 0.00 O ATOM 1488 CB LYS A 96 8.510 5.225 6.125 1.00 0.00 C ATOM 1489 CG LYS A 96 9.209 6.111 7.145 1.00 0.00 C ATOM 1490 CD LYS A 96 8.902 7.582 6.914 1.00 0.00 C ATOM 1491 CE LYS A 96 10.027 8.472 7.416 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.237 8.379 6.554 1.00 0.00 N ATOM 0 H LYS A 96 8.402 5.811 3.689 1.00 0.00 H new ATOM 0 HA LYS A 96 10.482 4.779 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.733 5.803 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.013 4.407 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.896 5.827 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.286 5.951 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.744 7.759 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.974 7.845 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.684 9.506 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.286 8.189 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.846 9.206 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.762 7.511 6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.950 8.355 5.555 1.00 0.00 H new ATOM 1506 N ILE A 97 8.129 2.853 4.170 1.00 0.00 N ATOM 1507 CA ILE A 97 7.763 1.476 3.901 1.00 0.00 C ATOM 1508 C ILE A 97 8.882 0.757 3.166 1.00 0.00 C ATOM 1509 O ILE A 97 9.432 -0.218 3.662 1.00 0.00 O ATOM 1510 CB ILE A 97 6.498 1.411 3.035 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.334 2.115 3.708 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.127 -0.020 2.706 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.072 2.074 2.876 1.00 0.00 C ATOM 0 H ILE A 97 7.500 3.543 3.760 1.00 0.00 H new ATOM 0 HA ILE A 97 7.580 0.993 4.861 1.00 0.00 H new ATOM 0 HB ILE A 97 6.719 1.929 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.143 1.650 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.604 3.153 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.227 -0.030 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.944 -0.491 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.943 -0.570 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.271 2.592 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.251 2.563 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.783 1.037 2.705 1.00 0.00 H new ATOM 1525 N LEU A 98 9.217 1.244 1.978 1.00 0.00 N ATOM 1526 CA LEU A 98 10.277 0.627 1.192 1.00 0.00 C ATOM 1527 C LEU A 98 11.579 0.608 1.986 1.00 0.00 C ATOM 1528 O LEU A 98 12.272 -0.410 2.030 1.00 0.00 O ATOM 1529 CB LEU A 98 10.451 1.345 -0.147 1.00 0.00 C ATOM 1530 CG LEU A 98 9.230 1.281 -1.076 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.622 1.632 -2.502 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.583 -0.098 -1.029 1.00 0.00 C ATOM 0 H LEU A 98 8.776 2.054 1.542 1.00 0.00 H new ATOM 0 HA LEU A 98 9.996 -0.404 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.689 2.391 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.307 0.914 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 98 8.502 2.013 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.743 1.581 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.032 2.641 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.372 0.926 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.721 -0.118 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.305 -0.850 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.260 -0.314 -0.011 1.00 0.00 H new ATOM 1544 N ASP A 99 11.885 1.715 2.661 1.00 0.00 N ATOM 1545 CA ASP A 99 13.079 1.777 3.491 1.00 0.00 C ATOM 1546 C ASP A 99 12.930 0.785 4.637 1.00 0.00 C ATOM 1547 O ASP A 99 13.911 0.269 5.175 1.00 0.00 O ATOM 1548 CB ASP A 99 13.284 3.191 4.040 1.00 0.00 C ATOM 1549 CG ASP A 99 14.521 3.301 4.910 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.634 3.066 4.393 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.377 3.624 6.108 1.00 0.00 O ATOM 0 H ASP A 99 11.328 2.570 2.648 1.00 0.00 H new ATOM 0 HA ASP A 99 13.951 1.521 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.364 3.892 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.408 3.483 4.620 1.00 0.00 H new ATOM 1556 N GLU A 100 11.675 0.531 4.988 1.00 0.00 N ATOM 1557 CA GLU A 100 11.324 -0.392 6.055 1.00 0.00 C ATOM 1558 C GLU A 100 11.338 -1.835 5.560 1.00 0.00 C ATOM 1559 O GLU A 100 11.624 -2.758 6.323 1.00 0.00 O ATOM 1560 CB GLU A 100 9.951 -0.030 6.624 1.00 0.00 C ATOM 1561 CG GLU A 100 9.433 -1.014 7.662 1.00 0.00 C ATOM 1562 CD GLU A 100 10.083 -0.828 9.019 1.00 0.00 C ATOM 1563 OE1 GLU A 100 11.295 -1.106 9.140 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.381 -0.404 9.961 1.00 0.00 O ATOM 0 H GLU A 100 10.869 0.963 4.536 1.00 0.00 H new ATOM 0 HA GLU A 100 12.069 -0.306 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.005 0.962 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.234 0.030 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.354 -0.897 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.612 -2.031 7.314 1.00 0.00 H new ATOM 1571 N TYR A 101 11.031 -2.024 4.280 1.00 0.00 N ATOM 1572 CA TYR A 101 11.018 -3.356 3.698 1.00 0.00 C ATOM 1573 C TYR A 101 12.429 -3.913 3.641 1.00 0.00 C ATOM 1574 O TYR A 101 12.643 -5.112 3.793 1.00 0.00 O ATOM 1575 CB TYR A 101 10.414 -3.344 2.296 1.00 0.00 C ATOM 1576 CG TYR A 101 9.803 -4.674 1.926 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.594 -5.722 1.465 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.441 -4.894 2.062 1.00 0.00 C ATOM 1579 CE1 TYR A 101 10.040 -6.946 1.146 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.880 -6.115 1.750 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.683 -7.139 1.292 1.00 0.00 C ATOM 1582 OH TYR A 101 8.127 -8.358 0.980 1.00 0.00 O ATOM 0 H TYR A 101 10.790 -1.274 3.632 1.00 0.00 H new ATOM 0 HA TYR A 101 10.399 -3.991 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.652 -2.567 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 101 11.187 -3.087 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.658 -5.576 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.808 -4.095 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.667 -7.748 0.784 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.817 -6.269 1.864 1.00 0.00 H new ATOM 0 HH TYR A 101 8.783 -8.902 0.496 1.00 0.00 H new ATOM 1592 N LEU A 102 13.390 -3.025 3.416 1.00 0.00 N ATOM 1593 CA LEU A 102 14.791 -3.420 3.336 1.00 0.00 C ATOM 1594 C LEU A 102 15.376 -3.661 4.725 1.00 0.00 C ATOM 1595 O LEU A 102 16.224 -4.535 4.908 1.00 0.00 O ATOM 1596 CB LEU A 102 15.609 -2.351 2.608 1.00 0.00 C ATOM 1597 CG LEU A 102 14.870 -1.612 1.489 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.074 -0.112 1.616 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.333 -2.102 0.128 1.00 0.00 C ATOM 0 H LEU A 102 13.225 -2.027 3.286 1.00 0.00 H new ATOM 0 HA LEU A 102 14.841 -4.353 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.953 -1.619 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.497 -2.821 2.186 1.00 0.00 H new ATOM 0 HG LEU A 102 13.805 -1.823 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.542 0.397 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 102 14.690 0.227 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.137 0.118 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 102 14.796 -1.565 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.403 -1.924 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 102 15.132 -3.170 0.038 1.00 0.00 H new ATOM 1611 N VAL A 103 14.929 -2.874 5.700 1.00 0.00 N ATOM 1612 CA VAL A 103 15.424 -2.997 7.068 1.00 0.00 C ATOM 1613 C VAL A 103 14.924 -4.268 7.739 1.00 0.00 C ATOM 1614 O VAL A 103 15.713 -5.031 8.297 1.00 0.00 O ATOM 1615 CB VAL A 103 15.028 -1.787 7.936 1.00 0.00 C ATOM 1616 CG1 VAL A 103 15.141 -2.136 9.414 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.889 -0.580 7.596 1.00 0.00 C ATOM 0 H VAL A 103 14.227 -2.146 5.569 1.00 0.00 H new ATOM 0 HA VAL A 103 16.510 -3.037 6.989 1.00 0.00 H new ATOM 0 HB VAL A 103 13.990 -1.531 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.858 -1.272 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.477 -2.970 9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.169 -2.417 9.644 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.594 0.264 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.937 -0.818 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.754 -0.321 6.546 1.00 0.00 H new ATOM 1627 N ALA A 104 13.615 -4.495 7.689 1.00 0.00 N ATOM 1628 CA ALA A 104 13.025 -5.684 8.299 1.00 0.00 C ATOM 1629 C ALA A 104 13.819 -6.937 7.933 1.00 0.00 C ATOM 1630 O ALA A 104 13.726 -7.964 8.606 1.00 0.00 O ATOM 1631 CB ALA A 104 11.574 -5.829 7.871 1.00 0.00 C ATOM 0 H ALA A 104 12.944 -3.875 7.235 1.00 0.00 H new ATOM 0 HA ALA A 104 13.061 -5.567 9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.146 -6.719 8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.012 -4.950 8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.522 -5.922 6.786 1.00 0.00 H new ATOM 1637 N HIS A 105 14.600 -6.837 6.863 1.00 0.00 N ATOM 1638 CA HIS A 105 15.413 -7.940 6.392 1.00 0.00 C ATOM 1639 C HIS A 105 16.277 -7.488 5.215 1.00 0.00 C ATOM 1640 O HIS A 105 15.765 -6.912 4.256 1.00 0.00 O ATOM 1641 CB HIS A 105 14.524 -9.117 5.972 1.00 0.00 C ATOM 1642 CG HIS A 105 13.241 -8.709 5.307 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.320 -9.619 4.834 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.727 -7.484 5.039 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.297 -8.973 4.304 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.520 -7.677 4.415 1.00 0.00 N ATOM 0 H HIS A 105 14.684 -5.989 6.302 1.00 0.00 H new ATOM 0 HA HIS A 105 16.063 -8.267 7.204 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.085 -9.758 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.290 -9.714 6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.182 -6.533 5.273 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.426 -9.428 3.856 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.896 -6.938 4.090 1.00 0.00 H new ATOM 1655 N PRO A 106 17.603 -7.734 5.275 1.00 0.00 N ATOM 1656 CA PRO A 106 18.538 -7.346 4.216 1.00 0.00 C ATOM 1657 C PRO A 106 17.940 -7.447 2.811 1.00 0.00 C ATOM 1658 O PRO A 106 16.964 -8.161 2.583 1.00 0.00 O ATOM 1659 CB PRO A 106 19.678 -8.342 4.399 1.00 0.00 C ATOM 1660 CG PRO A 106 19.706 -8.617 5.868 1.00 0.00 C ATOM 1661 CD PRO A 106 18.302 -8.404 6.389 1.00 0.00 C ATOM 0 HA PRO A 106 18.837 -6.301 4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.503 -9.254 3.828 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.626 -7.928 4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.038 -9.637 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.408 -7.952 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.825 -9.349 6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.300 -7.789 7.289 1.00 0.00 H new ATOM 1669 N LYS A 107 18.527 -6.699 1.883 1.00 0.00 N ATOM 1670 CA LYS A 107 18.059 -6.653 0.499 1.00 0.00 C ATOM 1671 C LYS A 107 17.754 -8.035 -0.090 1.00 0.00 C ATOM 1672 O LYS A 107 16.632 -8.297 -0.523 1.00 0.00 O ATOM 1673 CB LYS A 107 19.086 -5.933 -0.382 1.00 0.00 C ATOM 1674 CG LYS A 107 20.521 -6.381 -0.151 1.00 0.00 C ATOM 1675 CD LYS A 107 21.493 -5.215 -0.249 1.00 0.00 C ATOM 1676 CE LYS A 107 22.667 -5.539 -1.159 1.00 0.00 C ATOM 1677 NZ LYS A 107 22.240 -5.728 -2.573 1.00 0.00 N ATOM 0 H LYS A 107 19.338 -6.109 2.066 1.00 0.00 H new ATOM 0 HA LYS A 107 17.118 -6.102 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.829 -6.096 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.017 -4.860 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 107 20.605 -6.844 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.788 -7.141 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.971 -4.336 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 107 21.862 -4.963 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 107 23.400 -4.734 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 107 23.161 -6.444 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 23.052 -5.576 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.879 -6.695 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.490 -5.045 -2.803 1.00 0.00 H new ATOM 1691 N GLU A 108 18.762 -8.895 -0.148 1.00 0.00 N ATOM 1692 CA GLU A 108 18.606 -10.227 -0.733 1.00 0.00 C ATOM 1693 C GLU A 108 17.611 -11.107 0.021 1.00 0.00 C ATOM 1694 O GLU A 108 17.015 -12.009 -0.568 1.00 0.00 O ATOM 1695 CB GLU A 108 19.962 -10.930 -0.809 1.00 0.00 C ATOM 1696 CG GLU A 108 20.765 -10.842 0.480 1.00 0.00 C ATOM 1697 CD GLU A 108 21.046 -12.203 1.088 1.00 0.00 C ATOM 1698 OE1 GLU A 108 21.976 -12.885 0.611 1.00 0.00 O ATOM 1699 OE2 GLU A 108 20.335 -12.586 2.041 1.00 0.00 O ATOM 0 H GLU A 108 19.699 -8.697 0.203 1.00 0.00 H new ATOM 0 HA GLU A 108 18.201 -10.078 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.805 -11.979 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.544 -10.493 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.709 -10.335 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.221 -10.232 1.201 1.00 0.00 H new ATOM 1706 N GLU A 109 17.436 -10.869 1.317 1.00 0.00 N ATOM 1707 CA GLU A 109 16.514 -11.676 2.118 1.00 0.00 C ATOM 1708 C GLU A 109 15.178 -11.855 1.414 1.00 0.00 C ATOM 1709 O GLU A 109 14.551 -12.910 1.509 1.00 0.00 O ATOM 1710 CB GLU A 109 16.301 -11.042 3.485 1.00 0.00 C ATOM 1711 CG GLU A 109 17.598 -10.773 4.216 1.00 0.00 C ATOM 1712 CD GLU A 109 17.722 -11.563 5.505 1.00 0.00 C ATOM 1713 OE1 GLU A 109 16.824 -11.442 6.364 1.00 0.00 O ATOM 1714 OE2 GLU A 109 18.718 -12.302 5.655 1.00 0.00 O ATOM 0 H GLU A 109 17.914 -10.131 1.834 1.00 0.00 H new ATOM 0 HA GLU A 109 16.964 -12.660 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.756 -10.106 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.677 -11.698 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.435 -11.019 3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.670 -9.709 4.439 1.00 0.00 H new ATOM 1721 N TRP A 110 14.752 -10.825 0.695 1.00 0.00 N ATOM 1722 CA TRP A 110 13.498 -10.885 -0.034 1.00 0.00 C ATOM 1723 C TRP A 110 13.761 -10.932 -1.530 1.00 0.00 C ATOM 1724 O TRP A 110 13.115 -11.687 -2.256 1.00 0.00 O ATOM 1725 CB TRP A 110 12.601 -9.693 0.306 1.00 0.00 C ATOM 1726 CG TRP A 110 13.335 -8.438 0.669 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.587 -7.973 1.926 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.891 -7.478 -0.233 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.253 -6.775 1.860 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.454 -6.451 0.545 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.967 -7.385 -1.624 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.078 -5.344 -0.023 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.590 -6.289 -2.187 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.138 -5.280 -1.387 1.00 0.00 C ATOM 0 H TRP A 110 15.256 -9.943 0.603 1.00 0.00 H new ATOM 0 HA TRP A 110 12.979 -11.795 0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.956 -9.486 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 110 11.951 -9.970 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.304 -8.474 2.840 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.550 -6.217 2.660 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.545 -8.158 -2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.500 -4.563 0.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.655 -6.209 -3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.618 -4.434 -1.857 1.00 0.00 H new ATOM 1745 N ALA A 111 14.725 -10.124 -1.977 1.00 0.00 N ATOM 1746 CA ALA A 111 15.104 -10.058 -3.393 1.00 0.00 C ATOM 1747 C ALA A 111 13.974 -10.529 -4.306 1.00 0.00 C ATOM 1748 O ALA A 111 14.115 -11.514 -5.032 1.00 0.00 O ATOM 1749 CB ALA A 111 16.351 -10.893 -3.634 1.00 0.00 C ATOM 0 H ALA A 111 15.262 -9.501 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 111 15.309 -9.015 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.627 -10.840 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.169 -10.509 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.152 -11.930 -3.363 1.00 0.00 H new ATOM 1755 N ASP A 112 12.844 -9.837 -4.241 1.00 0.00 N ATOM 1756 CA ASP A 112 11.678 -10.200 -5.035 1.00 0.00 C ATOM 1757 C ASP A 112 11.080 -11.478 -4.493 1.00 0.00 C ATOM 1758 O ASP A 112 11.252 -12.557 -5.063 1.00 0.00 O ATOM 1759 CB ASP A 112 12.038 -10.385 -6.508 1.00 0.00 C ATOM 1760 CG ASP A 112 12.872 -9.244 -7.055 1.00 0.00 C ATOM 1761 OD1 ASP A 112 14.045 -9.116 -6.647 1.00 0.00 O ATOM 1762 OD2 ASP A 112 12.352 -8.479 -7.894 1.00 0.00 O ATOM 0 H ASP A 112 12.710 -9.020 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 112 10.954 -9.389 -4.966 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.585 -11.320 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.123 -10.473 -7.093 1.00 0.00 H new ATOM 1767 N VAL A 113 10.390 -11.351 -3.377 1.00 0.00 N ATOM 1768 CA VAL A 113 9.777 -12.494 -2.739 1.00 0.00 C ATOM 1769 C VAL A 113 8.562 -12.972 -3.513 1.00 0.00 C ATOM 1770 O VAL A 113 7.685 -12.183 -3.860 1.00 0.00 O ATOM 1771 CB VAL A 113 9.342 -12.176 -1.302 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.270 -13.456 -0.495 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.290 -11.189 -0.651 1.00 0.00 C ATOM 0 H VAL A 113 10.241 -10.465 -2.894 1.00 0.00 H new ATOM 0 HA VAL A 113 10.534 -13.278 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 113 8.354 -11.716 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.961 -13.226 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.547 -14.133 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.251 -13.931 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.958 -10.982 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.294 -11.612 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.301 -10.262 -1.225 1.00 0.00 H new ATOM 1783 N THR A 114 8.507 -14.271 -3.767 1.00 0.00 N ATOM 1784 CA THR A 114 7.385 -14.849 -4.487 1.00 0.00 C ATOM 1785 C THR A 114 6.345 -15.393 -3.512 1.00 0.00 C ATOM 1786 O THR A 114 5.515 -16.227 -3.875 1.00 0.00 O ATOM 1787 CB THR A 114 7.865 -15.962 -5.421 1.00 0.00 C ATOM 1788 OG1 THR A 114 8.339 -17.070 -4.678 1.00 0.00 O ATOM 1789 CG2 THR A 114 8.975 -15.523 -6.352 1.00 0.00 C ATOM 0 H THR A 114 9.223 -14.941 -3.486 1.00 0.00 H new ATOM 0 HA THR A 114 6.923 -14.065 -5.086 1.00 0.00 H new ATOM 0 HB THR A 114 6.996 -16.232 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 114 8.640 -17.772 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 114 9.269 -16.359 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.624 -14.700 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 114 9.833 -15.193 -5.766 1.00 0.00 H new ATOM 1797 N GLU A 115 6.400 -14.919 -2.269 1.00 0.00 N ATOM 1798 CA GLU A 115 5.475 -15.355 -1.237 1.00 0.00 C ATOM 1799 C GLU A 115 5.727 -14.616 0.068 1.00 0.00 C ATOM 1800 O GLU A 115 6.754 -14.819 0.716 1.00 0.00 O ATOM 1801 CB GLU A 115 5.624 -16.849 -1.008 1.00 0.00 C ATOM 1802 CG GLU A 115 7.068 -17.307 -0.882 1.00 0.00 C ATOM 1803 CD GLU A 115 7.373 -18.525 -1.733 1.00 0.00 C ATOM 1804 OE1 GLU A 115 6.434 -19.298 -2.020 1.00 0.00 O ATOM 1805 OE2 GLU A 115 8.548 -18.706 -2.113 1.00 0.00 O ATOM 0 H GLU A 115 7.082 -14.228 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 115 4.462 -15.133 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.084 -17.124 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.154 -17.383 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.730 -16.491 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.282 -17.536 0.162 1.00 0.00 H new ATOM 1812 N THR A 116 4.796 -13.753 0.449 1.00 0.00 N ATOM 1813 CA THR A 116 4.934 -12.990 1.665 1.00 0.00 C ATOM 1814 C THR A 116 3.581 -12.469 2.144 1.00 0.00 C ATOM 1815 O THR A 116 2.596 -12.493 1.405 1.00 0.00 O ATOM 1816 CB THR A 116 5.888 -11.835 1.416 1.00 0.00 C ATOM 1817 OG1 THR A 116 7.152 -12.309 0.995 1.00 0.00 O ATOM 1818 CG2 THR A 116 6.097 -10.984 2.630 1.00 0.00 C ATOM 0 H THR A 116 3.939 -13.569 -0.072 1.00 0.00 H new ATOM 0 HA THR A 116 5.333 -13.636 2.447 1.00 0.00 H new ATOM 0 HB THR A 116 5.423 -11.229 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 116 7.237 -13.259 1.220 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.788 -10.175 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.143 -10.565 2.949 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.513 -11.592 3.433 1.00 0.00 H new ATOM 1826 N ASN A 117 3.543 -11.996 3.385 1.00 0.00 N ATOM 1827 CA ASN A 117 2.316 -11.466 3.970 1.00 0.00 C ATOM 1828 C ASN A 117 2.630 -10.517 5.125 1.00 0.00 C ATOM 1829 O ASN A 117 3.536 -10.769 5.919 1.00 0.00 O ATOM 1830 CB ASN A 117 1.424 -12.609 4.462 1.00 0.00 C ATOM 1831 CG ASN A 117 0.380 -13.008 3.438 1.00 0.00 C ATOM 1832 OD1 ASN A 117 0.138 -12.289 2.468 1.00 0.00 O ATOM 1833 ND2 ASN A 117 -0.246 -14.159 3.651 1.00 0.00 N ATOM 0 H ASN A 117 4.351 -11.969 4.007 1.00 0.00 H new ATOM 0 HA ASN A 117 1.786 -10.908 3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.044 -13.473 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.928 -12.308 5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -0.960 -14.480 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -0.013 -14.723 4.469 1.00 0.00 H new ATOM 1840 N ASP A 118 1.872 -9.424 5.213 1.00 0.00 N ATOM 1841 CA ASP A 118 2.066 -8.435 6.273 1.00 0.00 C ATOM 1842 C ASP A 118 2.149 -9.104 7.639 1.00 0.00 C ATOM 1843 O ASP A 118 2.777 -8.584 8.561 1.00 0.00 O ATOM 1844 CB ASP A 118 0.922 -7.418 6.267 1.00 0.00 C ATOM 1845 CG ASP A 118 -0.443 -8.080 6.257 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -0.661 -8.981 5.420 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -1.294 -7.698 7.088 1.00 0.00 O ATOM 0 H ASP A 118 1.118 -9.201 4.563 1.00 0.00 H new ATOM 0 HA ASP A 118 3.008 -7.921 6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.005 -6.777 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.017 -6.774 5.392 1.00 0.00 H new ATOM 1852 N ALA A 119 1.509 -10.261 7.757 1.00 0.00 N ATOM 1853 CA ALA A 119 1.504 -11.013 9.007 1.00 0.00 C ATOM 1854 C ALA A 119 2.923 -11.239 9.518 1.00 0.00 C ATOM 1855 O ALA A 119 3.143 -11.403 10.718 1.00 0.00 O ATOM 1856 CB ALA A 119 0.790 -12.342 8.820 1.00 0.00 C ATOM 0 H ALA A 119 0.985 -10.700 7.000 1.00 0.00 H new ATOM 0 HA ALA A 119 0.967 -10.427 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.794 -12.893 9.761 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.239 -12.162 8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.303 -12.926 8.056 1.00 0.00 H new ATOM 1862 N LEU A 120 3.882 -11.245 8.598 1.00 0.00 N ATOM 1863 CA LEU A 120 5.280 -11.448 8.955 1.00 0.00 C ATOM 1864 C LEU A 120 5.875 -10.181 9.561 1.00 0.00 C ATOM 1865 O LEU A 120 6.377 -10.197 10.685 1.00 0.00 O ATOM 1866 CB LEU A 120 6.086 -11.869 7.723 1.00 0.00 C ATOM 1867 CG LEU A 120 6.960 -13.111 7.915 1.00 0.00 C ATOM 1868 CD1 LEU A 120 6.270 -14.343 7.351 1.00 0.00 C ATOM 1869 CD2 LEU A 120 8.319 -12.913 7.260 1.00 0.00 C ATOM 0 H LEU A 120 3.716 -11.112 7.600 1.00 0.00 H new ATOM 0 HA LEU A 120 5.329 -12.242 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.395 -12.053 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.724 -11.037 7.423 1.00 0.00 H new ATOM 0 HG LEU A 120 7.112 -13.262 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.907 -15.216 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.321 -14.496 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.087 -14.202 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.927 -13.806 7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.186 -12.736 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.819 -12.056 7.711 1.00 0.00 H new ATOM 1881 N LYS A 121 5.817 -9.085 8.809 1.00 0.00 N ATOM 1882 CA LYS A 121 6.357 -7.812 9.278 1.00 0.00 C ATOM 1883 C LYS A 121 5.762 -6.639 8.500 1.00 0.00 C ATOM 1884 O LYS A 121 4.831 -6.814 7.713 1.00 0.00 O ATOM 1885 CB LYS A 121 7.883 -7.811 9.139 1.00 0.00 C ATOM 1886 CG LYS A 121 8.601 -8.538 10.268 1.00 0.00 C ATOM 1887 CD LYS A 121 9.079 -9.917 9.834 1.00 0.00 C ATOM 1888 CE LYS A 121 10.569 -10.097 10.077 1.00 0.00 C ATOM 1889 NZ LYS A 121 10.954 -11.534 10.130 1.00 0.00 N ATOM 0 H LYS A 121 5.404 -9.052 7.877 1.00 0.00 H new ATOM 0 HA LYS A 121 6.087 -7.694 10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 121 8.153 -8.275 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.235 -6.780 9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.453 -7.945 10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.931 -8.637 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.526 -10.682 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.863 -10.061 8.775 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.129 -9.600 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.845 -9.613 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.977 -11.613 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.440 -12.003 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.714 -11.991 9.227 1.00 0.00 H new ATOM 1903 N MET A 122 6.315 -5.444 8.733 1.00 0.00 N ATOM 1904 CA MET A 122 5.874 -4.210 8.069 1.00 0.00 C ATOM 1905 C MET A 122 4.877 -3.435 8.925 1.00 0.00 C ATOM 1906 O MET A 122 4.021 -2.710 8.404 1.00 0.00 O ATOM 1907 CB MET A 122 5.273 -4.490 6.688 1.00 0.00 C ATOM 1908 CG MET A 122 5.423 -3.325 5.725 1.00 0.00 C ATOM 1909 SD MET A 122 6.990 -3.356 4.834 1.00 0.00 S ATOM 1910 CE MET A 122 7.499 -1.643 4.970 1.00 0.00 C ATOM 0 H MET A 122 7.083 -5.304 9.389 1.00 0.00 H new ATOM 0 HA MET A 122 6.764 -3.595 7.936 1.00 0.00 H new ATOM 0 HB2 MET A 122 5.753 -5.370 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.215 -4.727 6.800 1.00 0.00 H new ATOM 0 HG2 MET A 122 4.602 -3.343 5.008 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.343 -2.389 6.278 1.00 0.00 H new ATOM 0 HE1 MET A 122 7.413 -1.160 3.997 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.859 -1.129 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.534 -1.597 5.308 1.00 0.00 H new ATOM 1920 N LYS A 123 5.005 -3.563 10.244 1.00 0.00 N ATOM 1921 CA LYS A 123 4.128 -2.847 11.162 1.00 0.00 C ATOM 1922 C LYS A 123 4.117 -1.360 10.820 1.00 0.00 C ATOM 1923 O LYS A 123 3.143 -0.653 11.084 1.00 0.00 O ATOM 1924 CB LYS A 123 4.587 -3.050 12.607 1.00 0.00 C ATOM 1925 CG LYS A 123 6.088 -2.903 12.795 1.00 0.00 C ATOM 1926 CD LYS A 123 6.422 -2.230 14.117 1.00 0.00 C ATOM 1927 CE LYS A 123 7.754 -2.715 14.668 1.00 0.00 C ATOM 1928 NZ LYS A 123 7.803 -4.199 14.778 1.00 0.00 N ATOM 0 H LYS A 123 5.703 -4.152 10.697 1.00 0.00 H new ATOM 0 HA LYS A 123 3.118 -3.243 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.077 -2.329 13.246 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.283 -4.042 12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.558 -3.886 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.503 -2.319 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.456 -1.149 13.978 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.632 -2.434 14.840 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.561 -2.372 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 123 7.923 -2.273 15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 8.453 -4.469 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 6.851 -4.563 14.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.139 -4.603 13.880 1.00 0.00 H new ATOM 1942 N GLN A 124 5.210 -0.900 10.215 1.00 0.00 N ATOM 1943 CA GLN A 124 5.347 0.492 9.813 1.00 0.00 C ATOM 1944 C GLN A 124 4.260 0.878 8.822 1.00 0.00 C ATOM 1945 O GLN A 124 3.374 1.676 9.129 1.00 0.00 O ATOM 1946 CB GLN A 124 6.717 0.716 9.180 1.00 0.00 C ATOM 1947 CG GLN A 124 7.537 1.800 9.861 1.00 0.00 C ATOM 1948 CD GLN A 124 7.880 1.457 11.297 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.009 1.082 12.083 1.00 0.00 O ATOM 1950 NE2 GLN A 124 9.154 1.584 11.647 1.00 0.00 N ATOM 0 H GLN A 124 6.019 -1.480 9.992 1.00 0.00 H new ATOM 0 HA GLN A 124 5.247 1.116 10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.276 -0.219 9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.584 0.979 8.131 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.458 1.960 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.982 2.738 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.842 1.898 10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.445 1.368 12.600 1.00 0.00 H new ATOM 1959 N LEU A 125 4.339 0.301 7.628 1.00 0.00 N ATOM 1960 CA LEU A 125 3.372 0.569 6.577 1.00 0.00 C ATOM 1961 C LEU A 125 1.950 0.481 7.118 1.00 0.00 C ATOM 1962 O LEU A 125 1.054 1.186 6.656 1.00 0.00 O ATOM 1963 CB LEU A 125 3.566 -0.427 5.431 1.00 0.00 C ATOM 1964 CG LEU A 125 2.315 -0.740 4.616 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.686 -1.081 3.182 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.539 -1.876 5.262 1.00 0.00 C ATOM 0 H LEU A 125 5.070 -0.360 7.365 1.00 0.00 H new ATOM 0 HA LEU A 125 3.532 1.581 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.329 -0.036 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.952 -1.359 5.844 1.00 0.00 H new ATOM 0 HG LEU A 125 1.677 0.144 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.782 -1.302 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.201 -0.234 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.341 -1.952 3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.648 -2.090 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.167 -2.766 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.244 -1.588 6.271 1.00 0.00 H new ATOM 1978 N ASP A 126 1.749 -0.396 8.095 1.00 0.00 N ATOM 1979 CA ASP A 126 0.425 -0.572 8.685 1.00 0.00 C ATOM 1980 C ASP A 126 0.023 0.646 9.516 1.00 0.00 C ATOM 1981 O ASP A 126 -0.999 1.284 9.256 1.00 0.00 O ATOM 1982 CB ASP A 126 0.384 -1.829 9.557 1.00 0.00 C ATOM 1983 CG ASP A 126 1.025 -3.027 8.883 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.985 -3.098 7.636 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.565 -3.893 9.601 1.00 0.00 O ATOM 0 H ASP A 126 2.476 -0.991 8.493 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.287 -0.683 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.895 -1.630 10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.652 -2.065 9.800 1.00 0.00 H new ATOM 1990 N THR A 127 0.831 0.961 10.519 1.00 0.00 N ATOM 1991 CA THR A 127 0.562 2.097 11.390 1.00 0.00 C ATOM 1992 C THR A 127 0.514 3.401 10.598 1.00 0.00 C ATOM 1993 O THR A 127 -0.172 4.349 10.986 1.00 0.00 O ATOM 1994 CB THR A 127 1.626 2.190 12.484 1.00 0.00 C ATOM 1995 OG1 THR A 127 2.008 0.899 12.923 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.169 2.970 13.698 1.00 0.00 C ATOM 0 H THR A 127 1.680 0.445 10.750 1.00 0.00 H new ATOM 0 HA THR A 127 -0.413 1.942 11.851 1.00 0.00 H new ATOM 0 HB THR A 127 2.464 2.716 12.027 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.712 0.549 12.338 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.971 2.998 14.436 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.913 3.987 13.402 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.293 2.487 14.132 1.00 0.00 H new ATOM 2004 N TYR A 128 1.246 3.446 9.488 1.00 0.00 N ATOM 2005 CA TYR A 128 1.284 4.636 8.654 1.00 0.00 C ATOM 2006 C TYR A 128 -0.060 4.866 7.990 1.00 0.00 C ATOM 2007 O TYR A 128 -0.679 5.912 8.171 1.00 0.00 O ATOM 2008 CB TYR A 128 2.387 4.519 7.604 1.00 0.00 C ATOM 2009 CG TYR A 128 3.696 5.135 8.045 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.292 4.753 9.240 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.334 6.099 7.273 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.484 5.315 9.655 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.528 6.665 7.680 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.098 6.269 8.873 1.00 0.00 C ATOM 2015 OH TYR A 128 7.285 6.831 9.285 1.00 0.00 O ATOM 0 H TYR A 128 1.818 2.673 9.149 1.00 0.00 H new ATOM 0 HA TYR A 128 1.503 5.494 9.290 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.548 3.466 7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.057 5.002 6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.816 4.004 9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 128 3.890 6.411 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.933 5.008 10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.012 7.412 7.068 1.00 0.00 H new ATOM 0 HH TYR A 128 7.670 6.290 10.006 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.516 3.876 7.234 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.792 3.964 6.558 1.00 0.00 C ATOM 2027 C ILE A 129 -2.912 4.267 7.549 1.00 0.00 C ATOM 2028 O ILE A 129 -3.925 4.870 7.195 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.108 2.654 5.821 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.436 2.787 5.068 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.137 1.491 6.801 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.573 2.052 5.725 1.00 0.00 C ATOM 0 H ILE A 129 -0.015 3.002 7.077 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.726 4.777 5.834 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.324 2.452 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.695 3.843 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.309 2.411 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.362 0.569 6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.166 1.400 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.904 1.669 7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.482 2.189 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.335 0.990 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.727 2.444 6.730 1.00 0.00 H new ATOM 2044 N SER A 130 -2.720 3.836 8.791 1.00 0.00 N ATOM 2045 CA SER A 130 -3.711 4.049 9.837 1.00 0.00 C ATOM 2046 C SER A 130 -3.891 5.531 10.150 1.00 0.00 C ATOM 2047 O SER A 130 -4.992 6.067 10.029 1.00 0.00 O ATOM 2048 CB SER A 130 -3.301 3.300 11.102 1.00 0.00 C ATOM 2049 OG SER A 130 -4.165 3.607 12.182 1.00 0.00 O ATOM 0 H SER A 130 -1.885 3.336 9.097 1.00 0.00 H new ATOM 0 HA SER A 130 -4.665 3.665 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.317 2.227 10.914 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.277 3.562 11.367 1.00 0.00 H new ATOM 0 HG SER A 130 -3.881 3.113 12.979 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.813 6.187 10.562 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.876 7.608 10.902 1.00 0.00 C ATOM 2057 C LYS A 131 -2.754 8.493 9.661 1.00 0.00 C ATOM 2058 O LYS A 131 -3.143 9.661 9.685 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.796 7.971 11.930 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.395 8.107 11.349 1.00 0.00 C ATOM 2061 CD LYS A 131 0.458 6.887 11.657 1.00 0.00 C ATOM 2062 CE LYS A 131 1.740 7.266 12.383 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.918 7.262 11.472 1.00 0.00 N ATOM 0 H LYS A 131 -1.891 5.765 10.669 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.855 7.793 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -2.070 8.910 12.410 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.781 7.208 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.460 8.244 10.270 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.083 8.998 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.113 6.188 12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.704 6.371 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.627 8.256 12.826 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.913 6.568 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.782 7.442 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.992 6.336 11.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.804 8.005 10.753 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.215 7.937 8.580 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.051 8.690 7.340 1.00 0.00 C ATOM 2079 C TYR A 132 -3.399 9.096 6.749 1.00 0.00 C ATOM 2080 O TYR A 132 -3.456 9.934 5.853 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.232 7.896 6.323 1.00 0.00 C ATOM 2082 CG TYR A 132 0.253 8.170 6.431 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.898 8.106 7.661 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.007 8.508 5.314 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.249 8.370 7.774 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.359 8.772 5.420 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.975 8.703 6.652 1.00 0.00 C ATOM 2088 OH TYR A 132 4.321 8.966 6.760 1.00 0.00 O ATOM 0 H TYR A 132 -1.886 6.973 8.537 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.506 9.603 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.413 6.831 6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.571 8.143 5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.333 7.845 8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.529 8.565 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.734 8.316 8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.931 9.031 4.542 1.00 0.00 H new ATOM 0 HH TYR A 132 4.734 8.316 7.367 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.479 8.499 7.259 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.837 8.799 6.787 1.00 0.00 C ATOM 2100 C GLN A 133 -6.025 10.278 6.435 1.00 0.00 C ATOM 2101 O GLN A 133 -6.816 10.615 5.554 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.860 8.389 7.848 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.251 6.922 7.781 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.200 6.520 8.892 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -7.776 6.234 10.012 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -9.492 6.494 8.587 1.00 0.00 N ATOM 0 H GLN A 133 -4.441 7.802 8.002 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.992 8.225 5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.452 8.603 8.836 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.755 9.001 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.718 6.718 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.352 6.308 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.799 6.739 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.178 6.229 9.294 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.301 11.153 7.124 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.400 12.588 6.874 1.00 0.00 C ATOM 2117 C ASP A 134 -4.649 12.975 5.602 1.00 0.00 C ATOM 2118 O ASP A 134 -3.817 12.216 5.107 1.00 0.00 O ATOM 2119 CB ASP A 134 -4.850 13.374 8.066 1.00 0.00 C ATOM 2120 CG ASP A 134 -5.945 13.845 9.003 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -6.680 12.988 9.536 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.066 15.072 9.205 1.00 0.00 O ATOM 0 H ASP A 134 -4.641 10.896 7.858 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.453 12.835 6.740 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.148 12.748 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.291 14.236 7.702 1.00 0.00 H new ATOM 2127 N PRO A 135 -4.931 14.170 5.054 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.274 14.654 3.836 1.00 0.00 C ATOM 2129 C PRO A 135 -2.763 14.763 4.004 1.00 0.00 C ATOM 2130 O PRO A 135 -2.009 14.626 3.042 1.00 0.00 O ATOM 2131 CB PRO A 135 -4.890 16.039 3.610 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.469 16.423 4.925 1.00 0.00 C ATOM 2133 CD PRO A 135 -5.903 15.142 5.576 1.00 0.00 C ATOM 0 HA PRO A 135 -4.423 13.973 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -4.137 16.757 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.656 16.008 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.733 16.943 5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -6.313 17.101 4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -5.866 15.208 6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -6.925 14.877 5.307 1.00 0.00 H new ATOM 2141 N SER A 136 -2.330 15.011 5.235 1.00 0.00 N ATOM 2142 CA SER A 136 -0.911 15.139 5.539 1.00 0.00 C ATOM 2143 C SER A 136 -0.343 13.818 6.050 1.00 0.00 C ATOM 2144 O SER A 136 0.272 13.057 5.304 1.00 0.00 O ATOM 2145 CB SER A 136 -0.691 16.238 6.587 1.00 0.00 C ATOM 2146 OG SER A 136 -0.461 17.494 5.973 1.00 0.00 O ATOM 0 H SER A 136 -2.944 15.128 6.041 1.00 0.00 H new ATOM 0 HA SER A 136 -0.390 15.408 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 136 -1.563 16.303 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.159 15.978 7.218 1.00 0.00 H new ATOM 0 HG SER A 136 -0.326 18.176 6.664 1.00 0.00 H new ATOM 2152 N GLN A 137 -0.551 13.572 7.337 1.00 0.00 N ATOM 2153 CA GLN A 137 -0.074 12.374 8.001 1.00 0.00 C ATOM 2154 C GLN A 137 -0.379 12.473 9.490 1.00 0.00 C ATOM 2155 O GLN A 137 -0.696 11.480 10.147 1.00 0.00 O ATOM 2156 CB GLN A 137 1.423 12.216 7.784 1.00 0.00 C ATOM 2157 CG GLN A 137 2.235 13.419 8.235 1.00 0.00 C ATOM 2158 CD GLN A 137 3.391 13.725 7.304 1.00 0.00 C ATOM 2159 OE1 GLN A 137 3.324 13.458 6.103 1.00 0.00 O ATOM 2160 NE2 GLN A 137 4.460 14.289 7.852 1.00 0.00 N ATOM 0 H GLN A 137 -1.061 14.207 7.952 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.578 11.502 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 137 1.768 11.333 8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 137 1.611 12.038 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 137 1.583 14.290 8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.620 13.237 9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 137 4.473 14.493 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 137 5.268 14.518 7.274 1.00 0.00 H new ATOM 2169 N ALA A 138 -0.289 13.697 10.004 1.00 0.00 N ATOM 2170 CA ALA A 138 -0.561 13.981 11.405 1.00 0.00 C ATOM 2171 C ALA A 138 0.552 13.459 12.309 1.00 0.00 C ATOM 2172 O ALA A 138 0.394 12.437 12.978 1.00 0.00 O ATOM 2173 CB ALA A 138 -1.903 13.394 11.820 1.00 0.00 C ATOM 0 H ALA A 138 -0.025 14.518 9.459 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.602 15.064 11.520 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -2.088 13.617 12.871 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.695 13.830 11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.888 12.314 11.675 1.00 0.00 H new ATOM 2179 N ASP A 139 1.675 14.170 12.329 1.00 0.00 N ATOM 2180 CA ASP A 139 2.812 13.783 13.157 1.00 0.00 C ATOM 2181 C ASP A 139 3.266 12.361 12.834 1.00 0.00 C ATOM 2182 O ASP A 139 3.309 11.497 13.709 1.00 0.00 O ATOM 2183 CB ASP A 139 2.452 13.894 14.640 1.00 0.00 C ATOM 2184 CG ASP A 139 3.634 14.315 15.492 1.00 0.00 C ATOM 2185 OD1 ASP A 139 4.593 14.889 14.935 1.00 0.00 O ATOM 2186 OD2 ASP A 139 3.598 14.072 16.717 1.00 0.00 O ATOM 0 H ASP A 139 1.822 15.018 11.781 1.00 0.00 H new ATOM 0 HA ASP A 139 3.635 14.464 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 139 1.644 14.616 14.762 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.077 12.933 14.993 1.00 0.00 H new ATOM 2191 N ALA A 140 3.603 12.129 11.571 1.00 0.00 N ATOM 2192 CA ALA A 140 4.054 10.815 11.130 1.00 0.00 C ATOM 2193 C ALA A 140 5.514 10.581 11.507 1.00 0.00 C ATOM 2194 O ALA A 140 5.777 9.647 12.293 1.00 0.00 O ATOM 2195 CB ALA A 140 3.866 10.671 9.627 1.00 0.00 C ATOM 2196 OXT ALA A 140 6.380 11.334 11.014 1.00 0.00 O ATOM 0 H ALA A 140 3.572 12.834 10.834 1.00 0.00 H new ATOM 0 HA ALA A 140 3.450 10.061 11.635 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.207 9.685 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 140 2.811 10.787 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.446 11.438 9.113 1.00 0.00 H new TER 2202 ALA A 140