USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -1.03 K(o=-2.9,f=-6!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.84 K(o=-2.9,f=-15!) USER MOD Set 2.1: A 33 TYR OH : rot 151:sc= -0.471 USER MOD Set 2.2: A 63 THR OG1 : rot -74:sc= -0.132 USER MOD Set 3.1: A 32 THR OG1 : rot -69:sc= 0.642 USER MOD Set 3.2: A 62 SER OG : rot 112:sc= -2.33! USER MOD Set 4.1: A 52 THR OG1 : rot -170:sc= 0.985 USER MOD Set 4.2: A 64 THR OG1 : rot 74:sc= 0.554 USER MOD Set 5.1: A 35 THR OG1 : rot -177:sc= -0.497 USER MOD Set 5.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 29 THR OG1 : rot 100:sc= -0.958 USER MOD Set 6.2: A 43 LYS NZ :NH3+ 150:sc= -0.152 (180deg=-2.05!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.0766) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.772 K(o=-0.77,f=-5.2!) USER MOD Single : A 13 ASN : amide:sc= -4.18! C(o=-4.2!,f=-8.9!) USER MOD Single : A 16 ASN : amide:sc= 0.262 K(o=0.26,f=-1.6!) USER MOD Single : A 18 MET CE :methyl 176:sc= 0 (180deg=-0.028) USER MOD Single : A 23 MET CE :methyl -127:sc= -1.86 (180deg=-6.48!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 169:sc= 0 (180deg=-0.255) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -111:sc= -0.217 (180deg=-0.409) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.519 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 4:sc= 0.388 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -0.116 (180deg=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= 0.0134 K(o=0.013,f=-1.1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.58 K(o=-2.6,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.813 -4.930 -2.959 1.00 13.32 N ATOM 2 CA MET A 1 -1.741 -4.992 -1.504 1.00 13.34 C ATOM 3 C MET A 1 -0.413 -5.589 -1.050 1.00 11.01 C ATOM 4 O MET A 1 -0.370 -6.401 -0.125 1.00 3.14 O ATOM 5 CB MET A 1 -2.902 -5.820 -0.949 1.00 51.21 C ATOM 6 CG MET A 1 -3.132 -5.623 0.541 1.00 64.24 C ATOM 7 SD MET A 1 -4.211 -4.224 0.898 1.00 3.34 S ATOM 8 CE MET A 1 -5.791 -5.049 1.067 1.00 32.33 C ATOM 0 H1 MET A 1 -2.772 -4.649 -3.247 1.00 13.32 H new ATOM 0 H2 MET A 1 -1.127 -4.232 -3.311 1.00 13.32 H new ATOM 0 H3 MET A 1 -1.592 -5.865 -3.358 1.00 13.32 H new ATOM 0 HA MET A 1 -1.813 -3.975 -1.118 1.00 13.34 H new ATOM 0 HB2 MET A 1 -3.813 -5.559 -1.487 1.00 51.21 H new ATOM 0 HB3 MET A 1 -2.710 -6.875 -1.142 1.00 51.21 H new ATOM 0 HG2 MET A 1 -3.568 -6.530 0.960 1.00 64.24 H new ATOM 0 HG3 MET A 1 -2.173 -5.473 1.036 1.00 64.24 H new ATOM 0 HE1 MET A 1 -6.564 -4.313 1.290 1.00 32.33 H new ATOM 0 HE2 MET A 1 -6.035 -5.561 0.136 1.00 32.33 H new ATOM 0 HE3 MET A 1 -5.737 -5.776 1.878 1.00 32.33 H new ATOM 18 N LEU A 2 0.668 -5.183 -1.706 1.00 50.15 N ATOM 19 CA LEU A 2 1.998 -5.678 -1.370 1.00 63.45 C ATOM 20 C LEU A 2 3.073 -4.678 -1.786 1.00 33.45 C ATOM 21 O LEU A 2 2.909 -3.945 -2.761 1.00 13.13 O ATOM 22 CB LEU A 2 2.249 -7.025 -2.051 1.00 21.44 C ATOM 23 CG LEU A 2 3.573 -7.711 -1.713 1.00 64.41 C ATOM 24 CD1 LEU A 2 3.518 -8.325 -0.323 1.00 15.24 C ATOM 25 CD2 LEU A 2 3.905 -8.772 -2.753 1.00 12.11 C ATOM 0 H LEU A 2 0.650 -4.512 -2.474 1.00 50.15 H new ATOM 0 HA LEU A 2 2.048 -5.808 -0.289 1.00 63.45 H new ATOM 0 HB2 LEU A 2 1.435 -7.700 -1.787 1.00 21.44 H new ATOM 0 HB3 LEU A 2 2.204 -6.878 -3.130 1.00 21.44 H new ATOM 0 HG LEU A 2 4.362 -6.959 -1.724 1.00 64.41 H new ATOM 0 HD11 LEU A 2 4.469 -8.808 -0.101 1.00 15.24 H new ATOM 0 HD12 LEU A 2 3.328 -7.544 0.413 1.00 15.24 H new ATOM 0 HD13 LEU A 2 2.718 -9.064 -0.283 1.00 15.24 H new ATOM 0 HD21 LEU A 2 4.850 -9.250 -2.496 1.00 12.11 H new ATOM 0 HD22 LEU A 2 3.114 -9.521 -2.774 1.00 12.11 H new ATOM 0 HD23 LEU A 2 3.989 -8.306 -3.735 1.00 12.11 H new ATOM 37 N ASP A 3 4.172 -4.656 -1.040 1.00 62.14 N ATOM 38 CA ASP A 3 5.276 -3.749 -1.333 1.00 13.43 C ATOM 39 C ASP A 3 6.558 -4.525 -1.615 1.00 72.43 C ATOM 40 O ASP A 3 6.938 -5.416 -0.854 1.00 54.31 O ATOM 41 CB ASP A 3 5.495 -2.786 -0.165 1.00 1.50 C ATOM 42 CG ASP A 3 4.196 -2.208 0.361 1.00 52.53 C ATOM 43 OD1 ASP A 3 3.415 -2.965 0.974 1.00 4.33 O ATOM 44 OD2 ASP A 3 3.959 -0.998 0.158 1.00 70.04 O ATOM 0 H ASP A 3 4.322 -5.255 -0.228 1.00 62.14 H new ATOM 0 HA ASP A 3 5.017 -3.176 -2.224 1.00 13.43 H new ATOM 0 HB2 ASP A 3 6.009 -3.309 0.641 1.00 1.50 H new ATOM 0 HB3 ASP A 3 6.147 -1.974 -0.485 1.00 1.50 H new ATOM 49 N CYS A 4 7.221 -4.183 -2.715 1.00 74.31 N ATOM 50 CA CYS A 4 8.459 -4.849 -3.100 1.00 42.22 C ATOM 51 C CYS A 4 9.474 -3.842 -3.634 1.00 62.11 C ATOM 52 O CYS A 4 9.136 -2.692 -3.914 1.00 53.34 O ATOM 53 CB CYS A 4 8.181 -5.918 -4.158 1.00 35.51 C ATOM 54 SG CYS A 4 6.721 -6.950 -3.805 1.00 63.43 S ATOM 0 H CYS A 4 6.921 -3.448 -3.355 1.00 74.31 H new ATOM 0 HA CYS A 4 8.877 -5.326 -2.213 1.00 42.22 H new ATOM 0 HB2 CYS A 4 8.044 -5.431 -5.124 1.00 35.51 H new ATOM 0 HB3 CYS A 4 9.056 -6.562 -4.247 1.00 35.51 H new ATOM 59 N HIS A 5 10.720 -4.283 -3.773 1.00 25.43 N ATOM 60 CA HIS A 5 11.785 -3.422 -4.274 1.00 3.21 C ATOM 61 C HIS A 5 11.793 -3.399 -5.799 1.00 62.34 C ATOM 62 O HIS A 5 12.092 -4.405 -6.444 1.00 12.21 O ATOM 63 CB HIS A 5 13.142 -3.896 -3.752 1.00 60.12 C ATOM 64 CG HIS A 5 13.369 -3.585 -2.305 1.00 23.11 C ATOM 65 ND1 HIS A 5 13.804 -2.355 -1.859 1.00 2.03 N ATOM 66 CD2 HIS A 5 13.218 -4.352 -1.200 1.00 73.31 C ATOM 67 CE1 HIS A 5 13.912 -2.380 -0.542 1.00 40.53 C ATOM 68 NE2 HIS A 5 13.561 -3.580 -0.118 1.00 24.22 N ATOM 0 H HIS A 5 11.017 -5.232 -3.546 1.00 25.43 H new ATOM 0 HA HIS A 5 11.599 -2.410 -3.914 1.00 3.21 H new ATOM 0 HB2 HIS A 5 13.223 -4.973 -3.901 1.00 60.12 H new ATOM 0 HB3 HIS A 5 13.932 -3.432 -4.343 1.00 60.12 H new ATOM 0 HD2 HIS A 5 12.889 -5.380 -1.174 1.00 73.31 H new ATOM 0 HE1 HIS A 5 14.233 -1.558 0.081 1.00 40.53 H new ATOM 0 HE2 HIS A 5 13.547 -3.884 0.856 1.00 24.22 H new ATOM 76 N VAL A 6 11.462 -2.246 -6.371 1.00 42.22 N ATOM 77 CA VAL A 6 11.431 -2.092 -7.821 1.00 25.13 C ATOM 78 C VAL A 6 12.573 -1.205 -8.304 1.00 25.13 C ATOM 79 O VAL A 6 12.536 0.015 -8.145 1.00 41.50 O ATOM 80 CB VAL A 6 10.094 -1.491 -8.293 1.00 62.32 C ATOM 81 CG1 VAL A 6 10.111 -1.267 -9.798 1.00 3.14 C ATOM 82 CG2 VAL A 6 8.935 -2.392 -7.893 1.00 42.33 C ATOM 0 H VAL A 6 11.211 -1.404 -5.852 1.00 42.22 H new ATOM 0 HA VAL A 6 11.544 -3.089 -8.248 1.00 25.13 H new ATOM 0 HB VAL A 6 9.958 -0.525 -7.807 1.00 62.32 H new ATOM 0 HG11 VAL A 6 9.158 -0.842 -10.113 1.00 3.14 H new ATOM 0 HG12 VAL A 6 10.917 -0.580 -10.055 1.00 3.14 H new ATOM 0 HG13 VAL A 6 10.270 -2.218 -10.306 1.00 3.14 H new ATOM 0 HG21 VAL A 6 7.998 -1.952 -8.234 1.00 42.33 H new ATOM 0 HG22 VAL A 6 9.063 -3.374 -8.349 1.00 42.33 H new ATOM 0 HG23 VAL A 6 8.913 -2.496 -6.808 1.00 42.33 H new ATOM 92 N CYS A 7 13.589 -1.826 -8.895 1.00 35.43 N ATOM 93 CA CYS A 7 14.743 -1.095 -9.402 1.00 11.51 C ATOM 94 C CYS A 7 15.720 -2.036 -10.100 1.00 23.14 C ATOM 95 O CYS A 7 15.657 -3.253 -9.927 1.00 15.22 O ATOM 96 CB CYS A 7 15.450 -0.362 -8.260 1.00 44.12 C ATOM 97 SG CYS A 7 16.021 -1.453 -6.917 1.00 54.42 S ATOM 0 H CYS A 7 13.636 -2.835 -9.034 1.00 35.43 H new ATOM 0 HA CYS A 7 14.388 -0.365 -10.129 1.00 11.51 H new ATOM 0 HB2 CYS A 7 16.306 0.178 -8.664 1.00 44.12 H new ATOM 0 HB3 CYS A 7 14.771 0.383 -7.845 1.00 44.12 H new ATOM 102 N ALA A 8 16.624 -1.464 -10.888 1.00 51.43 N ATOM 103 CA ALA A 8 17.616 -2.251 -11.610 1.00 51.42 C ATOM 104 C ALA A 8 18.998 -1.612 -11.516 1.00 34.32 C ATOM 105 O ALA A 8 19.158 -0.417 -11.764 1.00 62.00 O ATOM 106 CB ALA A 8 17.205 -2.411 -13.066 1.00 53.33 C ATOM 0 H ALA A 8 16.690 -0.458 -11.043 1.00 51.43 H new ATOM 0 HA ALA A 8 17.668 -3.237 -11.148 1.00 51.42 H new ATOM 0 HB1 ALA A 8 17.955 -3.001 -13.593 1.00 53.33 H new ATOM 0 HB2 ALA A 8 16.242 -2.918 -13.118 1.00 53.33 H new ATOM 0 HB3 ALA A 8 17.123 -1.429 -13.531 1.00 53.33 H new ATOM 112 N TYR A 9 19.992 -2.416 -11.155 1.00 52.11 N ATOM 113 CA TYR A 9 21.360 -1.928 -11.025 1.00 32.32 C ATOM 114 C TYR A 9 22.362 -2.994 -11.459 1.00 14.20 C ATOM 115 O TYR A 9 22.119 -4.190 -11.304 1.00 11.25 O ATOM 116 CB TYR A 9 21.639 -1.509 -9.581 1.00 15.45 C ATOM 117 CG TYR A 9 22.989 -0.856 -9.390 1.00 11.24 C ATOM 118 CD1 TYR A 9 23.282 0.366 -9.984 1.00 30.42 C ATOM 119 CD2 TYR A 9 23.972 -1.460 -8.616 1.00 31.30 C ATOM 120 CE1 TYR A 9 24.515 0.966 -9.813 1.00 35.32 C ATOM 121 CE2 TYR A 9 25.207 -0.867 -8.438 1.00 54.13 C ATOM 122 CZ TYR A 9 25.473 0.346 -9.039 1.00 22.22 C ATOM 123 OH TYR A 9 26.702 0.940 -8.865 1.00 65.54 O ATOM 0 H TYR A 9 19.876 -3.408 -10.947 1.00 52.11 H new ATOM 0 HA TYR A 9 21.473 -1.061 -11.676 1.00 32.32 H new ATOM 0 HB2 TYR A 9 20.861 -0.818 -9.255 1.00 15.45 H new ATOM 0 HB3 TYR A 9 21.575 -2.387 -8.938 1.00 15.45 H new ATOM 0 HD1 TYR A 9 22.533 0.855 -10.590 1.00 30.42 H new ATOM 0 HD2 TYR A 9 23.767 -2.410 -8.145 1.00 31.30 H new ATOM 0 HE1 TYR A 9 24.727 1.915 -10.283 1.00 35.32 H new ATOM 0 HE2 TYR A 9 25.959 -1.350 -7.832 1.00 54.13 H new ATOM 0 HH TYR A 9 27.261 0.374 -8.292 1.00 65.54 H new ATOM 133 N ASN A 10 23.489 -2.549 -12.004 1.00 24.30 N ATOM 134 CA ASN A 10 24.530 -3.464 -12.461 1.00 54.52 C ATOM 135 C ASN A 10 25.596 -3.655 -11.387 1.00 32.50 C ATOM 136 O ASN A 10 26.757 -3.298 -11.579 1.00 40.41 O ATOM 137 CB ASN A 10 25.173 -2.936 -13.745 1.00 73.25 C ATOM 138 CG ASN A 10 24.202 -2.912 -14.910 1.00 61.35 C ATOM 139 OD1 ASN A 10 22.987 -2.860 -14.720 1.00 0.04 O ATOM 140 ND2 ASN A 10 24.736 -2.951 -16.126 1.00 11.12 N ATOM 0 H ASN A 10 23.705 -1.562 -12.140 1.00 24.30 H new ATOM 0 HA ASN A 10 24.067 -4.430 -12.664 1.00 54.52 H new ATOM 0 HB2 ASN A 10 25.552 -1.929 -13.571 1.00 73.25 H new ATOM 0 HB3 ASN A 10 26.030 -3.559 -14.002 1.00 73.25 H new ATOM 0 HD21 ASN A 10 24.133 -2.938 -16.948 1.00 11.12 H new ATOM 0 HD22 ASN A 10 25.749 -2.994 -16.237 1.00 11.12 H new ATOM 147 N GLY A 11 25.192 -4.224 -10.255 1.00 0.02 N ATOM 148 CA GLY A 11 26.124 -4.454 -9.167 1.00 24.32 C ATOM 149 C GLY A 11 25.605 -5.464 -8.163 1.00 25.34 C ATOM 150 O GLY A 11 25.012 -6.475 -8.539 1.00 15.12 O ATOM 0 H GLY A 11 24.236 -4.530 -10.072 1.00 0.02 H new ATOM 0 HA2 GLY A 11 27.073 -4.805 -9.573 1.00 24.32 H new ATOM 0 HA3 GLY A 11 26.324 -3.511 -8.659 1.00 24.32 H new ATOM 154 N ASP A 12 25.831 -5.192 -6.882 1.00 70.30 N ATOM 155 CA ASP A 12 25.382 -6.086 -5.820 1.00 44.42 C ATOM 156 C ASP A 12 23.863 -6.219 -5.828 1.00 52.01 C ATOM 157 O ASP A 12 23.320 -7.220 -6.294 1.00 23.01 O ATOM 158 CB ASP A 12 25.855 -5.572 -4.459 1.00 73.11 C ATOM 159 CG ASP A 12 25.251 -6.350 -3.306 1.00 4.51 C ATOM 160 OD1 ASP A 12 25.855 -7.362 -2.893 1.00 52.23 O ATOM 161 OD2 ASP A 12 24.175 -5.946 -2.816 1.00 63.34 O ATOM 0 H ASP A 12 26.322 -4.360 -6.554 1.00 70.30 H new ATOM 0 HA ASP A 12 25.815 -7.070 -5.999 1.00 44.42 H new ATOM 0 HB2 ASP A 12 26.942 -5.636 -4.407 1.00 73.11 H new ATOM 0 HB3 ASP A 12 25.593 -4.519 -4.360 1.00 73.11 H new ATOM 166 N ASN A 13 23.182 -5.203 -5.308 1.00 11.01 N ATOM 167 CA ASN A 13 21.725 -5.208 -5.253 1.00 55.45 C ATOM 168 C ASN A 13 21.187 -3.815 -4.939 1.00 5.34 C ATOM 169 O ASN A 13 21.567 -3.202 -3.940 1.00 72.11 O ATOM 170 CB ASN A 13 21.236 -6.205 -4.201 1.00 11.20 C ATOM 171 CG ASN A 13 20.802 -7.524 -4.811 1.00 44.43 C ATOM 172 OD1 ASN A 13 19.752 -7.611 -5.447 1.00 14.41 O ATOM 173 ND2 ASN A 13 21.612 -8.558 -4.620 1.00 22.50 N ATOM 0 H ASN A 13 23.616 -4.366 -4.919 1.00 11.01 H new ATOM 0 HA ASN A 13 21.351 -5.510 -6.231 1.00 55.45 H new ATOM 0 HB2 ASN A 13 22.032 -6.386 -3.479 1.00 11.20 H new ATOM 0 HB3 ASN A 13 20.401 -5.770 -3.652 1.00 11.20 H new ATOM 0 HD21 ASN A 13 21.374 -9.471 -5.007 1.00 22.50 H new ATOM 0 HD22 ASN A 13 22.473 -8.440 -4.086 1.00 22.50 H new ATOM 180 N CYS A 14 20.302 -3.320 -5.797 1.00 32.21 N ATOM 181 CA CYS A 14 19.711 -2.000 -5.612 1.00 24.12 C ATOM 182 C CYS A 14 18.624 -2.036 -4.542 1.00 0.23 C ATOM 183 O CYS A 14 18.176 -3.107 -4.132 1.00 3.14 O ATOM 184 CB CYS A 14 19.128 -1.490 -6.931 1.00 12.22 C ATOM 185 SG CYS A 14 17.662 -2.409 -7.500 1.00 14.10 S ATOM 0 H CYS A 14 19.978 -3.814 -6.629 1.00 32.21 H new ATOM 0 HA CYS A 14 20.497 -1.320 -5.283 1.00 24.12 H new ATOM 0 HB2 CYS A 14 18.863 -0.439 -6.817 1.00 12.22 H new ATOM 0 HB3 CYS A 14 19.898 -1.543 -7.701 1.00 12.22 H new ATOM 190 N PHE A 15 18.204 -0.857 -4.094 1.00 35.41 N ATOM 191 CA PHE A 15 17.169 -0.753 -3.071 1.00 42.02 C ATOM 192 C PHE A 15 16.159 0.334 -3.428 1.00 62.32 C ATOM 193 O PHE A 15 16.506 1.510 -3.526 1.00 32.01 O ATOM 194 CB PHE A 15 17.798 -0.453 -1.709 1.00 32.12 C ATOM 195 CG PHE A 15 18.486 -1.637 -1.092 1.00 71.44 C ATOM 196 CD1 PHE A 15 17.781 -2.530 -0.300 1.00 44.24 C ATOM 197 CD2 PHE A 15 19.837 -1.859 -1.305 1.00 51.34 C ATOM 198 CE1 PHE A 15 18.412 -3.620 0.269 1.00 44.24 C ATOM 199 CE2 PHE A 15 20.473 -2.947 -0.739 1.00 63.44 C ATOM 200 CZ PHE A 15 19.760 -3.830 0.048 1.00 53.42 C ATOM 0 H PHE A 15 18.564 0.039 -4.423 1.00 35.41 H new ATOM 0 HA PHE A 15 16.646 -1.708 -3.020 1.00 42.02 H new ATOM 0 HB2 PHE A 15 18.518 0.358 -1.821 1.00 32.12 H new ATOM 0 HB3 PHE A 15 17.023 -0.099 -1.030 1.00 32.12 H new ATOM 0 HD1 PHE A 15 16.727 -2.372 -0.126 1.00 44.24 H new ATOM 0 HD2 PHE A 15 20.400 -1.173 -1.921 1.00 51.34 H new ATOM 0 HE1 PHE A 15 17.852 -4.307 0.886 1.00 44.24 H new ATOM 0 HE2 PHE A 15 21.527 -3.107 -0.912 1.00 63.44 H new ATOM 0 HZ PHE A 15 20.255 -4.682 0.490 1.00 53.42 H new ATOM 210 N ASN A 16 14.908 -0.070 -3.622 1.00 60.52 N ATOM 211 CA ASN A 16 13.847 0.868 -3.970 1.00 31.24 C ATOM 212 C ASN A 16 12.474 0.268 -3.681 1.00 22.14 C ATOM 213 O ASN A 16 11.810 -0.278 -4.562 1.00 12.12 O ATOM 214 CB ASN A 16 13.945 1.257 -5.446 1.00 2.21 C ATOM 215 CG ASN A 16 13.253 2.573 -5.744 1.00 52.10 C ATOM 216 OD1 ASN A 16 13.122 3.430 -4.870 1.00 55.21 O ATOM 217 ND2 ASN A 16 12.806 2.739 -6.983 1.00 73.35 N ATOM 0 H ASN A 16 14.604 -1.041 -3.544 1.00 60.52 H new ATOM 0 HA ASN A 16 13.970 1.761 -3.357 1.00 31.24 H new ATOM 0 HB2 ASN A 16 14.995 1.329 -5.731 1.00 2.21 H new ATOM 0 HB3 ASN A 16 13.502 0.470 -6.057 1.00 2.21 H new ATOM 0 HD21 ASN A 16 12.332 3.604 -7.243 1.00 73.35 H new ATOM 0 HD22 ASN A 16 12.937 2.001 -7.675 1.00 73.35 H new ATOM 224 N PRO A 17 12.038 0.371 -2.417 1.00 34.04 N ATOM 225 CA PRO A 17 10.740 -0.154 -1.982 1.00 31.30 C ATOM 226 C PRO A 17 9.571 0.641 -2.554 1.00 5.20 C ATOM 227 O PRO A 17 9.381 1.810 -2.218 1.00 72.33 O ATOM 228 CB PRO A 17 10.791 -0.010 -0.459 1.00 13.40 C ATOM 229 CG PRO A 17 11.754 1.100 -0.216 1.00 2.32 C ATOM 230 CD PRO A 17 12.777 1.009 -1.314 1.00 70.24 C ATOM 0 HA PRO A 17 10.580 -1.177 -2.322 1.00 31.30 H new ATOM 0 HB2 PRO A 17 9.808 0.222 -0.050 1.00 13.40 H new ATOM 0 HB3 PRO A 17 11.123 -0.933 0.015 1.00 13.40 H new ATOM 0 HG2 PRO A 17 11.249 2.066 -0.233 1.00 2.32 H new ATOM 0 HG3 PRO A 17 12.223 1.002 0.763 1.00 2.32 H new ATOM 0 HD2 PRO A 17 13.151 1.993 -1.597 1.00 70.24 H new ATOM 0 HD3 PRO A 17 13.639 0.415 -1.012 1.00 70.24 H new ATOM 238 N MET A 18 8.792 0.000 -3.419 1.00 2.21 N ATOM 239 CA MET A 18 7.641 0.649 -4.036 1.00 30.21 C ATOM 240 C MET A 18 6.424 -0.271 -4.018 1.00 64.32 C ATOM 241 O MET A 18 6.525 -1.455 -4.343 1.00 12.44 O ATOM 242 CB MET A 18 7.967 1.054 -5.475 1.00 5.25 C ATOM 243 CG MET A 18 6.739 1.379 -6.308 1.00 75.22 C ATOM 244 SD MET A 18 5.798 2.767 -5.647 1.00 14.50 S ATOM 245 CE MET A 18 6.821 4.145 -6.160 1.00 61.11 C ATOM 0 H MET A 18 8.937 -0.967 -3.708 1.00 2.21 H new ATOM 0 HA MET A 18 7.407 1.543 -3.459 1.00 30.21 H new ATOM 0 HB2 MET A 18 8.625 1.923 -5.459 1.00 5.25 H new ATOM 0 HB3 MET A 18 8.518 0.245 -5.955 1.00 5.25 H new ATOM 0 HG2 MET A 18 7.047 1.607 -7.328 1.00 75.22 H new ATOM 0 HG3 MET A 18 6.096 0.500 -6.358 1.00 75.22 H new ATOM 0 HE1 MET A 18 6.334 5.081 -5.886 1.00 61.11 H new ATOM 0 HE2 MET A 18 7.791 4.082 -5.666 1.00 61.11 H new ATOM 0 HE3 MET A 18 6.961 4.112 -7.240 1.00 61.11 H new ATOM 255 N ARG A 19 5.277 0.280 -3.637 1.00 73.11 N ATOM 256 CA ARG A 19 4.042 -0.492 -3.576 1.00 34.22 C ATOM 257 C ARG A 19 3.536 -0.820 -4.977 1.00 75.45 C ATOM 258 O ARG A 19 3.511 0.040 -5.858 1.00 14.44 O ATOM 259 CB ARG A 19 2.970 0.280 -2.803 1.00 64.50 C ATOM 260 CG ARG A 19 1.609 -0.397 -2.808 1.00 25.21 C ATOM 261 CD ARG A 19 1.467 -1.370 -1.647 1.00 53.45 C ATOM 262 NE ARG A 19 0.889 -0.732 -0.467 1.00 63.31 N ATOM 263 CZ ARG A 19 0.438 -1.406 0.585 1.00 2.22 C ATOM 264 NH1 ARG A 19 0.498 -2.730 0.604 1.00 31.21 N ATOM 265 NH2 ARG A 19 -0.074 -0.754 1.622 1.00 65.42 N ATOM 0 H ARG A 19 5.177 1.258 -3.366 1.00 73.11 H new ATOM 0 HA ARG A 19 4.253 -1.427 -3.056 1.00 34.22 H new ATOM 0 HB2 ARG A 19 3.299 0.408 -1.772 1.00 64.50 H new ATOM 0 HB3 ARG A 19 2.872 1.277 -3.232 1.00 64.50 H new ATOM 0 HG2 ARG A 19 0.825 0.358 -2.749 1.00 25.21 H new ATOM 0 HG3 ARG A 19 1.469 -0.929 -3.749 1.00 25.21 H new ATOM 0 HD2 ARG A 19 0.839 -2.208 -1.951 1.00 53.45 H new ATOM 0 HD3 ARG A 19 2.445 -1.780 -1.395 1.00 53.45 H new ATOM 0 HE ARG A 19 0.828 0.286 -0.450 1.00 63.31 H new ATOM 0 HH11 ARG A 19 0.891 -3.234 -0.191 1.00 31.21 H new ATOM 0 HH12 ARG A 19 0.151 -3.245 1.413 1.00 31.21 H new ATOM 0 HH21 ARG A 19 -0.121 0.265 1.611 1.00 65.42 H new ATOM 0 HH22 ARG A 19 -0.420 -1.272 2.430 1.00 65.42 H new ATOM 279 N CYS A 20 3.133 -2.071 -5.178 1.00 3.11 N ATOM 280 CA CYS A 20 2.629 -2.514 -6.472 1.00 32.42 C ATOM 281 C CYS A 20 1.200 -2.028 -6.694 1.00 54.11 C ATOM 282 O CYS A 20 0.473 -1.708 -5.753 1.00 74.52 O ATOM 283 CB CYS A 20 2.680 -4.040 -6.567 1.00 63.50 C ATOM 284 SG CYS A 20 4.198 -4.778 -5.879 1.00 53.54 S ATOM 0 H CYS A 20 3.146 -2.796 -4.460 1.00 3.11 H new ATOM 0 HA CYS A 20 3.265 -2.086 -7.247 1.00 32.42 H new ATOM 0 HB2 CYS A 20 1.818 -4.455 -6.044 1.00 63.50 H new ATOM 0 HB3 CYS A 20 2.589 -4.331 -7.613 1.00 63.50 H new ATOM 289 N PRO A 21 0.786 -1.970 -7.969 1.00 11.03 N ATOM 290 CA PRO A 21 -0.559 -1.525 -8.345 1.00 10.50 C ATOM 291 C PRO A 21 -1.636 -2.525 -7.938 1.00 41.42 C ATOM 292 O PRO A 21 -1.335 -3.591 -7.403 1.00 33.11 O ATOM 293 CB PRO A 21 -0.482 -1.412 -9.870 1.00 21.44 C ATOM 294 CG PRO A 21 0.600 -2.357 -10.265 1.00 5.43 C ATOM 295 CD PRO A 21 1.599 -2.335 -9.141 1.00 21.53 C ATOM 0 HA PRO A 21 -0.834 -0.594 -7.848 1.00 10.50 H new ATOM 0 HB2 PRO A 21 -1.431 -1.679 -10.335 1.00 21.44 H new ATOM 0 HB3 PRO A 21 -0.251 -0.393 -10.180 1.00 21.44 H new ATOM 0 HG2 PRO A 21 0.205 -3.362 -10.416 1.00 5.43 H new ATOM 0 HG3 PRO A 21 1.062 -2.051 -11.204 1.00 5.43 H new ATOM 0 HD2 PRO A 21 2.079 -3.305 -9.011 1.00 21.53 H new ATOM 0 HD3 PRO A 21 2.392 -1.609 -9.322 1.00 21.53 H new ATOM 303 N ALA A 22 -2.891 -2.173 -8.196 1.00 53.03 N ATOM 304 CA ALA A 22 -4.012 -3.041 -7.859 1.00 75.21 C ATOM 305 C ALA A 22 -4.159 -4.169 -8.875 1.00 45.22 C ATOM 306 O ALA A 22 -5.231 -4.367 -9.446 1.00 65.40 O ATOM 307 CB ALA A 22 -5.299 -2.233 -7.776 1.00 31.44 C ATOM 0 H ALA A 22 -3.157 -1.293 -8.637 1.00 53.03 H new ATOM 0 HA ALA A 22 -3.812 -3.488 -6.885 1.00 75.21 H new ATOM 0 HB1 ALA A 22 -6.128 -2.894 -7.524 1.00 31.44 H new ATOM 0 HB2 ALA A 22 -5.199 -1.467 -7.007 1.00 31.44 H new ATOM 0 HB3 ALA A 22 -5.493 -1.758 -8.738 1.00 31.44 H new ATOM 313 N MET A 23 -3.074 -4.904 -9.097 1.00 4.24 N ATOM 314 CA MET A 23 -3.082 -6.012 -10.044 1.00 73.23 C ATOM 315 C MET A 23 -1.964 -7.002 -9.734 1.00 3.22 C ATOM 316 O MET A 23 -2.124 -8.210 -9.907 1.00 54.11 O ATOM 317 CB MET A 23 -2.934 -5.490 -11.475 1.00 11.55 C ATOM 318 CG MET A 23 -1.498 -5.175 -11.861 1.00 20.11 C ATOM 319 SD MET A 23 -1.387 -4.088 -13.295 1.00 3.42 S ATOM 320 CE MET A 23 -2.097 -2.582 -12.634 1.00 31.10 C ATOM 0 H MET A 23 -2.178 -4.752 -8.634 1.00 4.24 H new ATOM 0 HA MET A 23 -4.037 -6.529 -9.950 1.00 73.23 H new ATOM 0 HB2 MET A 23 -3.333 -6.232 -12.167 1.00 11.55 H new ATOM 0 HB3 MET A 23 -3.538 -4.590 -11.589 1.00 11.55 H new ATOM 0 HG2 MET A 23 -0.993 -4.708 -11.016 1.00 20.11 H new ATOM 0 HG3 MET A 23 -0.971 -6.105 -12.073 1.00 20.11 H new ATOM 0 HE1 MET A 23 -2.900 -2.241 -13.287 1.00 31.10 H new ATOM 0 HE2 MET A 23 -2.496 -2.775 -11.638 1.00 31.10 H new ATOM 0 HE3 MET A 23 -1.327 -1.813 -12.574 1.00 31.10 H new ATOM 330 N VAL A 24 -0.830 -6.482 -9.274 1.00 50.41 N ATOM 331 CA VAL A 24 0.315 -7.320 -8.939 1.00 11.33 C ATOM 332 C VAL A 24 0.237 -7.804 -7.495 1.00 44.03 C ATOM 333 O VAL A 24 -0.192 -7.070 -6.606 1.00 4.23 O ATOM 334 CB VAL A 24 1.642 -6.566 -9.145 1.00 40.41 C ATOM 335 CG1 VAL A 24 2.789 -7.312 -8.482 1.00 23.14 C ATOM 336 CG2 VAL A 24 1.914 -6.363 -10.628 1.00 50.30 C ATOM 0 H VAL A 24 -0.680 -5.484 -9.125 1.00 50.41 H new ATOM 0 HA VAL A 24 0.286 -8.179 -9.610 1.00 11.33 H new ATOM 0 HB VAL A 24 1.559 -5.586 -8.676 1.00 40.41 H new ATOM 0 HG11 VAL A 24 3.718 -6.764 -8.638 1.00 23.14 H new ATOM 0 HG12 VAL A 24 2.596 -7.401 -7.413 1.00 23.14 H new ATOM 0 HG13 VAL A 24 2.877 -8.307 -8.919 1.00 23.14 H new ATOM 0 HG21 VAL A 24 2.855 -5.829 -10.755 1.00 50.30 H new ATOM 0 HG22 VAL A 24 1.977 -7.332 -11.122 1.00 50.30 H new ATOM 0 HG23 VAL A 24 1.105 -5.782 -11.070 1.00 50.30 H new ATOM 346 N ALA A 25 0.656 -9.045 -7.270 1.00 61.00 N ATOM 347 CA ALA A 25 0.637 -9.627 -5.934 1.00 34.21 C ATOM 348 C ALA A 25 1.836 -10.544 -5.717 1.00 10.53 C ATOM 349 O ALA A 25 1.742 -11.549 -5.012 1.00 51.21 O ATOM 350 CB ALA A 25 -0.660 -10.390 -5.709 1.00 75.24 C ATOM 0 H ALA A 25 1.013 -9.667 -7.996 1.00 61.00 H new ATOM 0 HA ALA A 25 0.698 -8.814 -5.210 1.00 34.21 H new ATOM 0 HB1 ALA A 25 -0.660 -10.819 -4.707 1.00 75.24 H new ATOM 0 HB2 ALA A 25 -1.505 -9.709 -5.813 1.00 75.24 H new ATOM 0 HB3 ALA A 25 -0.745 -11.189 -6.446 1.00 75.24 H new ATOM 356 N TYR A 26 2.962 -10.191 -6.327 1.00 0.35 N ATOM 357 CA TYR A 26 4.179 -10.984 -6.202 1.00 44.52 C ATOM 358 C TYR A 26 5.408 -10.155 -6.564 1.00 64.21 C ATOM 359 O TYR A 26 5.347 -9.273 -7.421 1.00 41.00 O ATOM 360 CB TYR A 26 4.102 -12.220 -7.100 1.00 14.15 C ATOM 361 CG TYR A 26 3.466 -13.416 -6.428 1.00 73.23 C ATOM 362 CD1 TYR A 26 4.158 -14.150 -5.473 1.00 34.34 C ATOM 363 CD2 TYR A 26 2.174 -13.813 -6.750 1.00 72.12 C ATOM 364 CE1 TYR A 26 3.581 -15.244 -4.857 1.00 70.51 C ATOM 365 CE2 TYR A 26 1.589 -14.905 -6.139 1.00 12.03 C ATOM 366 CZ TYR A 26 2.296 -15.618 -5.193 1.00 43.52 C ATOM 367 OH TYR A 26 1.718 -16.707 -4.583 1.00 14.41 O ATOM 0 H TYR A 26 3.057 -9.361 -6.913 1.00 0.35 H new ATOM 0 HA TYR A 26 4.270 -11.303 -5.164 1.00 44.52 H new ATOM 0 HB2 TYR A 26 3.534 -11.973 -7.997 1.00 14.15 H new ATOM 0 HB3 TYR A 26 5.108 -12.487 -7.423 1.00 14.15 H new ATOM 0 HD1 TYR A 26 5.164 -13.861 -5.207 1.00 34.34 H new ATOM 0 HD2 TYR A 26 1.617 -13.258 -7.491 1.00 72.12 H new ATOM 0 HE1 TYR A 26 4.133 -15.804 -4.116 1.00 70.51 H new ATOM 0 HE2 TYR A 26 0.583 -15.199 -6.401 1.00 12.03 H new ATOM 0 HH TYR A 26 0.811 -16.834 -4.932 1.00 14.41 H new ATOM 377 N CYS A 27 6.525 -10.446 -5.905 1.00 32.21 N ATOM 378 CA CYS A 27 7.770 -9.730 -6.155 1.00 71.21 C ATOM 379 C CYS A 27 8.729 -10.580 -6.984 1.00 30.13 C ATOM 380 O CYS A 27 8.897 -11.772 -6.729 1.00 34.24 O ATOM 381 CB CYS A 27 8.432 -9.338 -4.833 1.00 15.34 C ATOM 382 SG CYS A 27 7.258 -8.821 -3.538 1.00 71.55 S ATOM 0 H CYS A 27 6.593 -11.173 -5.193 1.00 32.21 H new ATOM 0 HA CYS A 27 7.534 -8.827 -6.717 1.00 71.21 H new ATOM 0 HB2 CYS A 27 9.013 -10.184 -4.465 1.00 15.34 H new ATOM 0 HB3 CYS A 27 9.134 -8.525 -5.018 1.00 15.34 H new ATOM 387 N MET A 28 9.356 -9.957 -7.976 1.00 72.24 N ATOM 388 CA MET A 28 10.299 -10.656 -8.842 1.00 2.14 C ATOM 389 C MET A 28 11.710 -10.103 -8.666 1.00 50.01 C ATOM 390 O MET A 28 11.898 -8.902 -8.468 1.00 35.11 O ATOM 391 CB MET A 28 9.869 -10.533 -10.305 1.00 22.53 C ATOM 392 CG MET A 28 10.835 -11.188 -11.279 1.00 23.12 C ATOM 393 SD MET A 28 10.513 -10.727 -12.992 1.00 23.01 S ATOM 394 CE MET A 28 10.722 -12.306 -13.812 1.00 54.42 C ATOM 0 H MET A 28 9.229 -8.970 -8.200 1.00 72.24 H new ATOM 0 HA MET A 28 10.302 -11.709 -8.560 1.00 2.14 H new ATOM 0 HB2 MET A 28 8.884 -10.984 -10.425 1.00 22.53 H new ATOM 0 HB3 MET A 28 9.770 -9.478 -10.559 1.00 22.53 H new ATOM 0 HG2 MET A 28 11.855 -10.907 -11.017 1.00 23.12 H new ATOM 0 HG3 MET A 28 10.767 -12.271 -11.179 1.00 23.12 H new ATOM 0 HE1 MET A 28 10.368 -12.232 -14.840 1.00 54.42 H new ATOM 0 HE2 MET A 28 11.777 -12.580 -13.810 1.00 54.42 H new ATOM 0 HE3 MET A 28 10.148 -13.068 -13.285 1.00 54.42 H new ATOM 404 N THR A 29 12.701 -10.987 -8.740 1.00 14.44 N ATOM 405 CA THR A 29 14.094 -10.587 -8.587 1.00 71.14 C ATOM 406 C THR A 29 15.006 -11.422 -9.479 1.00 31.21 C ATOM 407 O THR A 29 15.230 -12.606 -9.222 1.00 15.42 O ATOM 408 CB THR A 29 14.560 -10.722 -7.126 1.00 4.34 C ATOM 409 OG1 THR A 29 13.780 -9.868 -6.282 1.00 35.34 O ATOM 410 CG2 THR A 29 16.033 -10.365 -6.993 1.00 3.04 C ATOM 0 H THR A 29 12.564 -11.984 -8.905 1.00 14.44 H new ATOM 0 HA THR A 29 14.157 -9.540 -8.885 1.00 71.14 H new ATOM 0 HB THR A 29 14.424 -11.759 -6.819 1.00 4.34 H new ATOM 0 HG1 THR A 29 13.086 -10.396 -5.834 1.00 35.34 H new ATOM 0 HG21 THR A 29 16.340 -10.468 -5.952 1.00 3.04 H new ATOM 0 HG22 THR A 29 16.627 -11.035 -7.614 1.00 3.04 H new ATOM 0 HG23 THR A 29 16.189 -9.336 -7.317 1.00 3.04 H new ATOM 418 N THR A 30 15.532 -10.799 -10.529 1.00 11.01 N ATOM 419 CA THR A 30 16.420 -11.485 -11.459 1.00 54.01 C ATOM 420 C THR A 30 17.869 -11.064 -11.247 1.00 64.31 C ATOM 421 O THR A 30 18.297 -10.014 -11.727 1.00 64.50 O ATOM 422 CB THR A 30 16.025 -11.206 -12.922 1.00 33.44 C ATOM 423 OG1 THR A 30 14.675 -11.624 -13.153 1.00 32.33 O ATOM 424 CG2 THR A 30 16.957 -11.931 -13.881 1.00 54.02 C ATOM 0 H THR A 30 15.358 -9.820 -10.756 1.00 11.01 H new ATOM 0 HA THR A 30 16.322 -12.552 -11.261 1.00 54.01 H new ATOM 0 HB THR A 30 16.108 -10.134 -13.100 1.00 33.44 H new ATOM 0 HG1 THR A 30 14.431 -11.442 -14.084 1.00 32.33 H new ATOM 0 HG21 THR A 30 16.659 -11.719 -14.908 1.00 54.02 H new ATOM 0 HG22 THR A 30 17.980 -11.589 -13.722 1.00 54.02 H new ATOM 0 HG23 THR A 30 16.901 -13.005 -13.701 1.00 54.02 H new ATOM 432 N ARG A 31 18.621 -11.890 -10.526 1.00 50.03 N ATOM 433 CA ARG A 31 20.023 -11.603 -10.251 1.00 4.53 C ATOM 434 C ARG A 31 20.933 -12.355 -11.218 1.00 32.14 C ATOM 435 O ARG A 31 21.132 -13.563 -11.087 1.00 61.45 O ATOM 436 CB ARG A 31 20.370 -11.980 -8.809 1.00 72.33 C ATOM 437 CG ARG A 31 19.625 -13.205 -8.305 1.00 70.50 C ATOM 438 CD ARG A 31 20.002 -13.535 -6.869 1.00 51.30 C ATOM 439 NE ARG A 31 19.197 -12.787 -5.907 1.00 35.43 N ATOM 440 CZ ARG A 31 19.049 -13.146 -4.636 1.00 62.02 C ATOM 441 NH1 ARG A 31 19.650 -14.235 -4.177 1.00 61.24 N ATOM 442 NH2 ARG A 31 18.300 -12.414 -3.822 1.00 31.14 N ATOM 0 H ARG A 31 18.282 -12.763 -10.122 1.00 50.03 H new ATOM 0 HA ARG A 31 20.182 -10.533 -10.388 1.00 4.53 H new ATOM 0 HB2 ARG A 31 21.442 -12.162 -8.738 1.00 72.33 H new ATOM 0 HB3 ARG A 31 20.146 -11.135 -8.157 1.00 72.33 H new ATOM 0 HG2 ARG A 31 18.551 -13.031 -8.369 1.00 70.50 H new ATOM 0 HG3 ARG A 31 19.849 -14.058 -8.946 1.00 70.50 H new ATOM 0 HD2 ARG A 31 19.873 -14.604 -6.697 1.00 51.30 H new ATOM 0 HD3 ARG A 31 21.057 -13.312 -6.711 1.00 51.30 H new ATOM 0 HE ARG A 31 18.723 -11.943 -6.228 1.00 35.43 H new ATOM 0 HH11 ARG A 31 20.228 -14.800 -4.800 1.00 61.24 H new ATOM 0 HH12 ARG A 31 19.535 -14.508 -3.201 1.00 61.24 H new ATOM 0 HH21 ARG A 31 17.837 -11.575 -4.171 1.00 31.14 H new ATOM 0 HH22 ARG A 31 18.187 -12.690 -2.847 1.00 31.14 H new ATOM 456 N THR A 32 21.482 -11.633 -12.189 1.00 5.40 N ATOM 457 CA THR A 32 22.369 -12.231 -13.179 1.00 31.42 C ATOM 458 C THR A 32 23.827 -12.122 -12.748 1.00 62.33 C ATOM 459 O THR A 32 24.197 -11.218 -11.999 1.00 24.43 O ATOM 460 CB THR A 32 22.202 -11.566 -14.558 1.00 74.31 C ATOM 461 OG1 THR A 32 20.817 -11.531 -14.920 1.00 54.20 O ATOM 462 CG2 THR A 32 22.989 -12.318 -15.620 1.00 44.14 C ATOM 0 H THR A 32 21.328 -10.632 -12.311 1.00 5.40 H new ATOM 0 HA THR A 32 22.093 -13.283 -13.256 1.00 31.42 H new ATOM 0 HB THR A 32 22.587 -10.548 -14.495 1.00 74.31 H new ATOM 0 HG1 THR A 32 20.503 -12.441 -15.102 1.00 54.20 H new ATOM 0 HG21 THR A 32 22.856 -11.830 -16.585 1.00 44.14 H new ATOM 0 HG22 THR A 32 24.047 -12.319 -15.357 1.00 44.14 H new ATOM 0 HG23 THR A 32 22.629 -13.345 -15.680 1.00 44.14 H new ATOM 470 N TYR A 33 24.651 -13.048 -13.227 1.00 41.32 N ATOM 471 CA TYR A 33 26.070 -13.056 -12.890 1.00 73.21 C ATOM 472 C TYR A 33 26.925 -13.250 -14.138 1.00 41.34 C ATOM 473 O TYR A 33 27.070 -14.365 -14.639 1.00 30.32 O ATOM 474 CB TYR A 33 26.368 -14.163 -11.877 1.00 40.22 C ATOM 475 CG TYR A 33 25.298 -14.322 -10.821 1.00 12.40 C ATOM 476 CD1 TYR A 33 25.122 -13.361 -9.832 1.00 64.21 C ATOM 477 CD2 TYR A 33 24.463 -15.432 -10.811 1.00 53.11 C ATOM 478 CE1 TYR A 33 24.146 -13.502 -8.865 1.00 24.25 C ATOM 479 CE2 TYR A 33 23.483 -15.580 -9.848 1.00 62.45 C ATOM 480 CZ TYR A 33 23.329 -14.613 -8.877 1.00 61.23 C ATOM 481 OH TYR A 33 22.355 -14.758 -7.916 1.00 24.23 O ATOM 0 H TYR A 33 24.361 -13.802 -13.849 1.00 41.32 H new ATOM 0 HA TYR A 33 26.318 -12.091 -12.448 1.00 73.21 H new ATOM 0 HB2 TYR A 33 26.486 -15.108 -12.408 1.00 40.22 H new ATOM 0 HB3 TYR A 33 27.319 -13.951 -11.389 1.00 40.22 H new ATOM 0 HD1 TYR A 33 25.759 -12.489 -9.820 1.00 64.21 H new ATOM 0 HD2 TYR A 33 24.582 -16.192 -11.569 1.00 53.11 H new ATOM 0 HE1 TYR A 33 24.023 -12.746 -8.103 1.00 24.25 H new ATOM 0 HE2 TYR A 33 22.841 -16.448 -9.856 1.00 62.45 H new ATOM 0 HH TYR A 33 21.610 -15.280 -8.281 1.00 24.23 H new ATOM 491 N TYR A 34 27.490 -12.155 -14.636 1.00 22.34 N ATOM 492 CA TYR A 34 28.330 -12.202 -15.826 1.00 63.43 C ATOM 493 C TYR A 34 29.764 -12.579 -15.467 1.00 4.02 C ATOM 494 O TYR A 34 30.237 -13.665 -15.803 1.00 24.32 O ATOM 495 CB TYR A 34 28.311 -10.852 -16.544 1.00 14.42 C ATOM 496 CG TYR A 34 27.084 -10.640 -17.403 1.00 2.05 C ATOM 497 CD1 TYR A 34 25.861 -10.312 -16.831 1.00 75.34 C ATOM 498 CD2 TYR A 34 27.149 -10.769 -18.784 1.00 54.54 C ATOM 499 CE1 TYR A 34 24.737 -10.119 -17.612 1.00 1.32 C ATOM 500 CE2 TYR A 34 26.031 -10.575 -19.573 1.00 32.34 C ATOM 501 CZ TYR A 34 24.827 -10.251 -18.982 1.00 4.32 C ATOM 502 OH TYR A 34 23.711 -10.059 -19.763 1.00 43.25 O ATOM 0 H TYR A 34 27.381 -11.224 -14.233 1.00 22.34 H new ATOM 0 HA TYR A 34 27.928 -12.966 -16.492 1.00 63.43 H new ATOM 0 HB2 TYR A 34 28.367 -10.055 -15.803 1.00 14.42 H new ATOM 0 HB3 TYR A 34 29.200 -10.770 -17.169 1.00 14.42 H new ATOM 0 HD1 TYR A 34 25.787 -10.206 -15.759 1.00 75.34 H new ATOM 0 HD2 TYR A 34 28.089 -11.025 -19.250 1.00 54.54 H new ATOM 0 HE1 TYR A 34 23.793 -9.866 -17.152 1.00 1.32 H new ATOM 0 HE2 TYR A 34 26.099 -10.676 -20.646 1.00 32.34 H new ATOM 0 HH TYR A 34 23.945 -10.188 -20.706 1.00 43.25 H new ATOM 512 N THR A 35 30.453 -11.673 -14.780 1.00 12.43 N ATOM 513 CA THR A 35 31.833 -11.907 -14.374 1.00 32.32 C ATOM 514 C THR A 35 31.956 -11.974 -12.856 1.00 13.41 C ATOM 515 O THR A 35 31.089 -11.505 -12.118 1.00 2.53 O ATOM 516 CB THR A 35 32.770 -10.806 -14.906 1.00 32.52 C ATOM 517 OG1 THR A 35 32.893 -9.758 -13.938 1.00 63.40 O ATOM 518 CG2 THR A 35 32.246 -10.236 -16.215 1.00 14.31 C ATOM 0 H THR A 35 30.077 -10.769 -14.493 1.00 12.43 H new ATOM 0 HA THR A 35 32.130 -12.864 -14.802 1.00 32.32 H new ATOM 0 HB THR A 35 33.749 -11.249 -15.087 1.00 32.52 H new ATOM 0 HG1 THR A 35 33.453 -9.041 -14.302 1.00 63.40 H new ATOM 0 HG21 THR A 35 32.924 -9.460 -16.571 1.00 14.31 H new ATOM 0 HG22 THR A 35 32.181 -11.031 -16.958 1.00 14.31 H new ATOM 0 HG23 THR A 35 31.257 -9.808 -16.055 1.00 14.31 H new ATOM 526 N PRO A 36 33.058 -12.569 -12.376 1.00 73.01 N ATOM 527 CA PRO A 36 33.320 -12.709 -10.941 1.00 25.42 C ATOM 528 C PRO A 36 33.634 -11.374 -10.275 1.00 52.45 C ATOM 529 O PRO A 36 33.796 -11.297 -9.057 1.00 71.40 O ATOM 530 CB PRO A 36 34.542 -13.631 -10.892 1.00 41.53 C ATOM 531 CG PRO A 36 35.224 -13.425 -12.201 1.00 11.33 C ATOM 532 CD PRO A 36 34.132 -13.151 -13.198 1.00 3.41 C ATOM 0 HA PRO A 36 32.454 -13.097 -10.405 1.00 25.42 H new ATOM 0 HB2 PRO A 36 35.198 -13.376 -10.059 1.00 41.53 H new ATOM 0 HB3 PRO A 36 34.248 -14.672 -10.758 1.00 41.53 H new ATOM 0 HG2 PRO A 36 35.924 -12.591 -12.149 1.00 11.33 H new ATOM 0 HG3 PRO A 36 35.799 -14.306 -12.484 1.00 11.33 H new ATOM 0 HD2 PRO A 36 34.461 -12.462 -13.975 1.00 3.41 H new ATOM 0 HD3 PRO A 36 33.806 -14.063 -13.698 1.00 3.41 H new ATOM 540 N THR A 37 33.718 -10.321 -11.083 1.00 14.32 N ATOM 541 CA THR A 37 34.012 -8.988 -10.572 1.00 42.34 C ATOM 542 C THR A 37 32.931 -7.992 -10.978 1.00 21.43 C ATOM 543 O THR A 37 32.967 -6.827 -10.582 1.00 62.13 O ATOM 544 CB THR A 37 35.376 -8.481 -11.078 1.00 61.23 C ATOM 545 OG1 THR A 37 35.397 -8.477 -12.510 1.00 54.41 O ATOM 546 CG2 THR A 37 36.506 -9.353 -10.553 1.00 22.43 C ATOM 0 H THR A 37 33.587 -10.366 -12.093 1.00 14.32 H new ATOM 0 HA THR A 37 34.041 -9.066 -9.485 1.00 42.34 H new ATOM 0 HB THR A 37 35.520 -7.465 -10.710 1.00 61.23 H new ATOM 0 HG1 THR A 37 36.267 -8.152 -12.823 1.00 54.41 H new ATOM 0 HG21 THR A 37 37.459 -8.976 -10.924 1.00 22.43 H new ATOM 0 HG22 THR A 37 36.506 -9.331 -9.463 1.00 22.43 H new ATOM 0 HG23 THR A 37 36.364 -10.378 -10.895 1.00 22.43 H new ATOM 554 N ARG A 38 31.970 -8.459 -11.768 1.00 32.21 N ATOM 555 CA ARG A 38 30.878 -7.609 -12.227 1.00 41.01 C ATOM 556 C ARG A 38 29.579 -8.402 -12.334 1.00 21.32 C ATOM 557 O ARG A 38 29.536 -9.459 -12.963 1.00 53.00 O ATOM 558 CB ARG A 38 31.222 -6.988 -13.582 1.00 60.44 C ATOM 559 CG ARG A 38 31.919 -5.642 -13.476 1.00 54.35 C ATOM 560 CD ARG A 38 32.314 -5.110 -14.845 1.00 40.21 C ATOM 561 NE ARG A 38 31.163 -4.607 -15.590 1.00 41.42 N ATOM 562 CZ ARG A 38 30.582 -3.438 -15.343 1.00 74.12 C ATOM 563 NH1 ARG A 38 31.041 -2.656 -14.376 1.00 64.22 N ATOM 564 NH2 ARG A 38 29.538 -3.049 -16.065 1.00 21.32 N ATOM 0 H ARG A 38 31.925 -9.421 -12.104 1.00 32.21 H new ATOM 0 HA ARG A 38 30.738 -6.813 -11.495 1.00 41.01 H new ATOM 0 HB2 ARG A 38 31.861 -7.676 -14.136 1.00 60.44 H new ATOM 0 HB3 ARG A 38 30.306 -6.869 -14.160 1.00 60.44 H new ATOM 0 HG2 ARG A 38 31.260 -4.927 -12.983 1.00 54.35 H new ATOM 0 HG3 ARG A 38 32.807 -5.739 -12.852 1.00 54.35 H new ATOM 0 HD2 ARG A 38 33.046 -4.311 -14.726 1.00 40.21 H new ATOM 0 HD3 ARG A 38 32.797 -5.903 -15.416 1.00 40.21 H new ATOM 0 HE ARG A 38 30.785 -5.185 -16.341 1.00 41.42 H new ATOM 0 HH11 ARG A 38 31.843 -2.951 -13.819 1.00 64.22 H new ATOM 0 HH12 ARG A 38 30.592 -1.759 -14.189 1.00 64.22 H new ATOM 0 HH21 ARG A 38 29.181 -3.648 -16.810 1.00 21.32 H new ATOM 0 HH22 ARG A 38 29.092 -2.151 -15.875 1.00 21.32 H new ATOM 578 N MET A 39 28.523 -7.885 -11.714 1.00 63.10 N ATOM 579 CA MET A 39 27.223 -8.545 -11.740 1.00 62.22 C ATOM 580 C MET A 39 26.100 -7.527 -11.911 1.00 20.24 C ATOM 581 O MET A 39 26.324 -6.320 -11.824 1.00 41.44 O ATOM 582 CB MET A 39 27.009 -9.348 -10.456 1.00 30.14 C ATOM 583 CG MET A 39 27.197 -8.529 -9.189 1.00 24.42 C ATOM 584 SD MET A 39 26.255 -9.179 -7.796 1.00 14.43 S ATOM 585 CE MET A 39 26.945 -10.826 -7.658 1.00 1.53 C ATOM 0 H MET A 39 28.542 -7.011 -11.188 1.00 63.10 H new ATOM 0 HA MET A 39 27.205 -9.225 -12.592 1.00 62.22 H new ATOM 0 HB2 MET A 39 26.003 -9.767 -10.462 1.00 30.14 H new ATOM 0 HB3 MET A 39 27.704 -10.188 -10.442 1.00 30.14 H new ATOM 0 HG2 MET A 39 28.255 -8.507 -8.929 1.00 24.42 H new ATOM 0 HG3 MET A 39 26.894 -7.499 -9.378 1.00 24.42 H new ATOM 0 HE1 MET A 39 26.195 -11.560 -7.951 1.00 1.53 H new ATOM 0 HE2 MET A 39 27.813 -10.913 -8.312 1.00 1.53 H new ATOM 0 HE3 MET A 39 27.248 -11.008 -6.627 1.00 1.53 H new ATOM 595 N LYS A 40 24.891 -8.022 -12.153 1.00 51.12 N ATOM 596 CA LYS A 40 23.732 -7.156 -12.335 1.00 32.20 C ATOM 597 C LYS A 40 22.500 -7.746 -11.656 1.00 22.42 C ATOM 598 O LYS A 40 22.415 -8.956 -11.446 1.00 34.44 O ATOM 599 CB LYS A 40 23.454 -6.947 -13.825 1.00 64.04 C ATOM 600 CG LYS A 40 22.296 -6.004 -14.102 1.00 31.50 C ATOM 601 CD LYS A 40 22.212 -5.641 -15.575 1.00 61.10 C ATOM 602 CE LYS A 40 21.322 -6.610 -16.338 1.00 51.12 C ATOM 603 NZ LYS A 40 19.877 -6.299 -16.154 1.00 44.50 N ATOM 0 H LYS A 40 24.688 -9.019 -12.228 1.00 51.12 H new ATOM 0 HA LYS A 40 23.954 -6.193 -11.874 1.00 32.20 H new ATOM 0 HB2 LYS A 40 24.352 -6.555 -14.302 1.00 64.04 H new ATOM 0 HB3 LYS A 40 23.244 -7.912 -14.286 1.00 64.04 H new ATOM 0 HG2 LYS A 40 21.362 -6.471 -13.788 1.00 31.50 H new ATOM 0 HG3 LYS A 40 22.414 -5.097 -13.509 1.00 31.50 H new ATOM 0 HD2 LYS A 40 21.823 -4.628 -15.680 1.00 61.10 H new ATOM 0 HD3 LYS A 40 23.212 -5.645 -16.009 1.00 61.10 H new ATOM 0 HE2 LYS A 40 21.569 -6.572 -17.399 1.00 51.12 H new ATOM 0 HE3 LYS A 40 21.520 -7.627 -16.001 1.00 51.12 H new ATOM 0 HZ1 LYS A 40 19.304 -6.982 -16.690 1.00 44.50 H new ATOM 0 HZ2 LYS A 40 19.635 -6.360 -15.145 1.00 44.50 H new ATOM 0 HZ3 LYS A 40 19.682 -5.337 -16.499 1.00 44.50 H new ATOM 617 N VAL A 41 21.547 -6.884 -11.316 1.00 22.23 N ATOM 618 CA VAL A 41 20.319 -7.321 -10.663 1.00 12.22 C ATOM 619 C VAL A 41 19.128 -6.485 -11.118 1.00 13.05 C ATOM 620 O VAL A 41 19.272 -5.307 -11.445 1.00 14.05 O ATOM 621 CB VAL A 41 20.437 -7.235 -9.129 1.00 40.55 C ATOM 622 CG1 VAL A 41 20.655 -5.794 -8.691 1.00 35.43 C ATOM 623 CG2 VAL A 41 19.200 -7.822 -8.466 1.00 42.43 C ATOM 0 H VAL A 41 21.602 -5.879 -11.482 1.00 22.23 H new ATOM 0 HA VAL A 41 20.161 -8.361 -10.950 1.00 12.22 H new ATOM 0 HB VAL A 41 21.301 -7.820 -8.814 1.00 40.55 H new ATOM 0 HG11 VAL A 41 20.736 -5.752 -7.605 1.00 35.43 H new ATOM 0 HG12 VAL A 41 21.573 -5.413 -9.138 1.00 35.43 H new ATOM 0 HG13 VAL A 41 19.812 -5.184 -9.016 1.00 35.43 H new ATOM 0 HG21 VAL A 41 19.300 -7.753 -7.383 1.00 42.43 H new ATOM 0 HG22 VAL A 41 18.318 -7.266 -8.785 1.00 42.43 H new ATOM 0 HG23 VAL A 41 19.094 -8.868 -8.755 1.00 42.43 H new ATOM 633 N SER A 42 17.951 -7.102 -11.135 1.00 72.44 N ATOM 634 CA SER A 42 16.734 -6.416 -11.553 1.00 71.33 C ATOM 635 C SER A 42 15.536 -6.888 -10.735 1.00 11.13 C ATOM 636 O SER A 42 15.275 -8.086 -10.628 1.00 33.34 O ATOM 637 CB SER A 42 16.474 -6.655 -13.042 1.00 43.11 C ATOM 638 OG SER A 42 16.874 -7.959 -13.427 1.00 2.21 O ATOM 0 H SER A 42 17.814 -8.076 -10.864 1.00 72.44 H new ATOM 0 HA SER A 42 16.872 -5.348 -11.382 1.00 71.33 H new ATOM 0 HB2 SER A 42 15.414 -6.519 -13.256 1.00 43.11 H new ATOM 0 HB3 SER A 42 17.016 -5.916 -13.632 1.00 43.11 H new ATOM 0 HG SER A 42 16.696 -8.087 -14.382 1.00 2.21 H new ATOM 644 N LYS A 43 14.810 -5.936 -10.158 1.00 20.01 N ATOM 645 CA LYS A 43 13.638 -6.251 -9.349 1.00 43.12 C ATOM 646 C LYS A 43 12.440 -5.411 -9.778 1.00 54.21 C ATOM 647 O LYS A 43 12.590 -4.256 -10.178 1.00 32.41 O ATOM 648 CB LYS A 43 13.937 -6.013 -7.867 1.00 61.23 C ATOM 649 CG LYS A 43 15.176 -6.739 -7.373 1.00 4.23 C ATOM 650 CD LYS A 43 15.844 -5.989 -6.232 1.00 13.20 C ATOM 651 CE LYS A 43 16.982 -6.795 -5.626 1.00 2.14 C ATOM 652 NZ LYS A 43 16.493 -8.038 -4.968 1.00 13.03 N ATOM 0 H LYS A 43 15.013 -4.939 -10.236 1.00 20.01 H new ATOM 0 HA LYS A 43 13.395 -7.303 -9.500 1.00 43.12 H new ATOM 0 HB2 LYS A 43 14.061 -4.943 -7.697 1.00 61.23 H new ATOM 0 HB3 LYS A 43 13.079 -6.333 -7.276 1.00 61.23 H new ATOM 0 HG2 LYS A 43 14.904 -7.741 -7.041 1.00 4.23 H new ATOM 0 HG3 LYS A 43 15.882 -6.857 -8.195 1.00 4.23 H new ATOM 0 HD2 LYS A 43 16.226 -5.035 -6.596 1.00 13.20 H new ATOM 0 HD3 LYS A 43 15.106 -5.764 -5.462 1.00 13.20 H new ATOM 0 HE2 LYS A 43 17.698 -7.055 -6.405 1.00 2.14 H new ATOM 0 HE3 LYS A 43 17.512 -6.183 -4.897 1.00 2.14 H new ATOM 0 HZ1 LYS A 43 17.228 -8.772 -5.023 1.00 13.03 H new ATOM 0 HZ2 LYS A 43 16.275 -7.840 -3.971 1.00 13.03 H new ATOM 0 HZ3 LYS A 43 15.634 -8.371 -5.451 1.00 13.03 H new ATOM 666 N SER A 44 11.250 -5.997 -9.691 1.00 30.42 N ATOM 667 CA SER A 44 10.026 -5.303 -10.072 1.00 74.21 C ATOM 668 C SER A 44 8.797 -6.051 -9.565 1.00 35.23 C ATOM 669 O SER A 44 8.905 -7.149 -9.018 1.00 22.21 O ATOM 670 CB SER A 44 9.953 -5.152 -11.593 1.00 14.43 C ATOM 671 OG SER A 44 10.001 -6.414 -12.234 1.00 72.40 O ATOM 0 H SER A 44 11.108 -6.951 -9.360 1.00 30.42 H new ATOM 0 HA SER A 44 10.042 -4.313 -9.616 1.00 74.21 H new ATOM 0 HB2 SER A 44 9.032 -4.637 -11.867 1.00 14.43 H new ATOM 0 HB3 SER A 44 10.780 -4.533 -11.940 1.00 14.43 H new ATOM 0 HG SER A 44 9.951 -6.290 -13.205 1.00 72.40 H new ATOM 677 N CYS A 45 7.627 -5.449 -9.750 1.00 12.42 N ATOM 678 CA CYS A 45 6.376 -6.055 -9.311 1.00 73.14 C ATOM 679 C CYS A 45 5.691 -6.784 -10.464 1.00 50.44 C ATOM 680 O CYS A 45 5.387 -6.187 -11.497 1.00 51.41 O ATOM 681 CB CYS A 45 5.440 -4.988 -8.741 1.00 12.15 C ATOM 682 SG CYS A 45 5.736 -4.602 -6.985 1.00 14.30 S ATOM 0 H CYS A 45 7.519 -4.541 -10.202 1.00 12.42 H new ATOM 0 HA CYS A 45 6.607 -6.780 -8.531 1.00 73.14 H new ATOM 0 HB2 CYS A 45 5.548 -4.075 -9.326 1.00 12.15 H new ATOM 0 HB3 CYS A 45 4.409 -5.323 -8.860 1.00 12.15 H new ATOM 687 N VAL A 46 5.451 -8.078 -10.280 1.00 21.00 N ATOM 688 CA VAL A 46 4.801 -8.888 -11.303 1.00 63.41 C ATOM 689 C VAL A 46 3.670 -9.720 -10.709 1.00 53.42 C ATOM 690 O VAL A 46 3.676 -10.069 -9.529 1.00 22.03 O ATOM 691 CB VAL A 46 5.805 -9.829 -11.996 1.00 4.22 C ATOM 692 CG1 VAL A 46 6.904 -9.028 -12.678 1.00 60.11 C ATOM 693 CG2 VAL A 46 6.394 -10.811 -10.994 1.00 12.43 C ATOM 0 H VAL A 46 5.697 -8.588 -9.432 1.00 21.00 H new ATOM 0 HA VAL A 46 4.392 -8.197 -12.040 1.00 63.41 H new ATOM 0 HB VAL A 46 5.275 -10.398 -12.760 1.00 4.22 H new ATOM 0 HG11 VAL A 46 7.604 -9.709 -13.162 1.00 60.11 H new ATOM 0 HG12 VAL A 46 6.463 -8.369 -13.426 1.00 60.11 H new ATOM 0 HG13 VAL A 46 7.434 -8.431 -11.935 1.00 60.11 H new ATOM 0 HG21 VAL A 46 7.101 -11.468 -11.501 1.00 12.43 H new ATOM 0 HG22 VAL A 46 6.910 -10.262 -10.206 1.00 12.43 H new ATOM 0 HG23 VAL A 46 5.594 -11.408 -10.556 1.00 12.43 H new ATOM 703 N PRO A 47 2.673 -10.046 -11.546 1.00 1.44 N ATOM 704 CA PRO A 47 1.516 -10.841 -11.126 1.00 35.03 C ATOM 705 C PRO A 47 1.883 -12.293 -10.841 1.00 32.31 C ATOM 706 O PRO A 47 1.493 -12.852 -9.816 1.00 35.52 O ATOM 707 CB PRO A 47 0.571 -10.754 -12.327 1.00 71.11 C ATOM 708 CG PRO A 47 1.462 -10.494 -13.492 1.00 24.10 C ATOM 709 CD PRO A 47 2.600 -9.663 -12.966 1.00 33.13 C ATOM 0 HA PRO A 47 1.082 -10.470 -10.197 1.00 35.03 H new ATOM 0 HB2 PRO A 47 0.010 -11.679 -12.457 1.00 71.11 H new ATOM 0 HB3 PRO A 47 -0.158 -9.954 -12.200 1.00 71.11 H new ATOM 0 HG2 PRO A 47 1.826 -11.428 -13.921 1.00 24.10 H new ATOM 0 HG3 PRO A 47 0.927 -9.968 -14.282 1.00 24.10 H new ATOM 0 HD2 PRO A 47 3.531 -9.880 -13.489 1.00 33.13 H new ATOM 0 HD3 PRO A 47 2.408 -8.597 -13.085 1.00 33.13 H new ATOM 717 N ARG A 48 2.635 -12.899 -11.754 1.00 4.52 N ATOM 718 CA ARG A 48 3.055 -14.286 -11.600 1.00 75.53 C ATOM 719 C ARG A 48 4.538 -14.445 -11.921 1.00 31.11 C ATOM 720 O ARG A 48 4.978 -14.158 -13.035 1.00 14.03 O ATOM 721 CB ARG A 48 2.225 -15.195 -12.509 1.00 63.45 C ATOM 722 CG ARG A 48 0.725 -15.052 -12.310 1.00 4.13 C ATOM 723 CD ARG A 48 0.208 -16.022 -11.259 1.00 70.44 C ATOM 724 NE ARG A 48 -1.249 -15.993 -11.157 1.00 4.50 N ATOM 725 CZ ARG A 48 -1.925 -15.001 -10.588 1.00 51.24 C ATOM 726 NH1 ARG A 48 -1.280 -13.963 -10.074 1.00 42.14 N ATOM 727 NH2 ARG A 48 -3.250 -15.046 -10.534 1.00 11.23 N ATOM 0 H ARG A 48 2.966 -12.451 -12.608 1.00 4.52 H new ATOM 0 HA ARG A 48 2.894 -14.575 -10.562 1.00 75.53 H new ATOM 0 HB2 ARG A 48 2.467 -14.974 -13.548 1.00 63.45 H new ATOM 0 HB3 ARG A 48 2.509 -16.232 -12.329 1.00 63.45 H new ATOM 0 HG2 ARG A 48 0.492 -14.030 -12.010 1.00 4.13 H new ATOM 0 HG3 ARG A 48 0.213 -15.231 -13.255 1.00 4.13 H new ATOM 0 HD2 ARG A 48 0.534 -17.032 -11.506 1.00 70.44 H new ATOM 0 HD3 ARG A 48 0.644 -15.774 -10.291 1.00 70.44 H new ATOM 0 HE ARG A 48 -1.776 -16.776 -11.543 1.00 4.50 H new ATOM 0 HH11 ARG A 48 -0.262 -13.924 -10.115 1.00 42.14 H new ATOM 0 HH12 ARG A 48 -1.802 -13.203 -9.638 1.00 42.14 H new ATOM 0 HH21 ARG A 48 -3.750 -15.842 -10.929 1.00 11.23 H new ATOM 0 HH22 ARG A 48 -3.769 -14.284 -10.097 1.00 11.23 H new ATOM 741 N CYS A 49 5.305 -14.903 -10.937 1.00 72.33 N ATOM 742 CA CYS A 49 6.739 -15.100 -11.113 1.00 13.52 C ATOM 743 C CYS A 49 7.119 -16.561 -10.892 1.00 52.21 C ATOM 744 O CYS A 49 6.784 -17.153 -9.866 1.00 12.42 O ATOM 745 CB CYS A 49 7.519 -14.207 -10.146 1.00 50.41 C ATOM 746 SG CYS A 49 9.315 -14.510 -10.139 1.00 22.34 S ATOM 0 H CYS A 49 4.957 -15.145 -10.009 1.00 72.33 H new ATOM 0 HA CYS A 49 6.995 -14.828 -12.137 1.00 13.52 H new ATOM 0 HB2 CYS A 49 7.338 -13.164 -10.405 1.00 50.41 H new ATOM 0 HB3 CYS A 49 7.132 -14.356 -9.138 1.00 50.41 H new ATOM 751 N PHE A 50 7.821 -17.137 -11.862 1.00 53.25 N ATOM 752 CA PHE A 50 8.246 -18.529 -11.775 1.00 43.13 C ATOM 753 C PHE A 50 9.753 -18.624 -11.552 1.00 33.11 C ATOM 754 O PHE A 50 10.534 -17.962 -12.234 1.00 23.22 O ATOM 755 CB PHE A 50 7.860 -19.283 -13.049 1.00 74.31 C ATOM 756 CG PHE A 50 6.467 -19.845 -13.014 1.00 0.02 C ATOM 757 CD1 PHE A 50 5.367 -19.003 -12.969 1.00 23.20 C ATOM 758 CD2 PHE A 50 6.258 -21.215 -13.026 1.00 14.50 C ATOM 759 CE1 PHE A 50 4.085 -19.518 -12.936 1.00 11.44 C ATOM 760 CE2 PHE A 50 4.977 -21.735 -12.993 1.00 45.32 C ATOM 761 CZ PHE A 50 3.890 -20.885 -12.949 1.00 13.00 C ATOM 0 H PHE A 50 8.108 -16.661 -12.718 1.00 53.25 H new ATOM 0 HA PHE A 50 7.740 -18.985 -10.924 1.00 43.13 H new ATOM 0 HB2 PHE A 50 7.950 -18.610 -13.902 1.00 74.31 H new ATOM 0 HB3 PHE A 50 8.568 -20.097 -13.209 1.00 74.31 H new ATOM 0 HD1 PHE A 50 5.513 -17.933 -12.960 1.00 23.20 H new ATOM 0 HD2 PHE A 50 7.105 -21.884 -13.062 1.00 14.50 H new ATOM 0 HE1 PHE A 50 3.236 -18.852 -12.900 1.00 11.44 H new ATOM 0 HE2 PHE A 50 4.827 -22.805 -13.002 1.00 45.32 H new ATOM 0 HZ PHE A 50 2.889 -21.289 -12.925 1.00 13.00 H new ATOM 771 N GLU A 51 10.151 -19.452 -10.591 1.00 63.12 N ATOM 772 CA GLU A 51 11.564 -19.633 -10.277 1.00 13.22 C ATOM 773 C GLU A 51 12.304 -20.271 -11.448 1.00 64.42 C ATOM 774 O GLU A 51 11.699 -20.918 -12.303 1.00 74.51 O ATOM 775 CB GLU A 51 11.724 -20.498 -9.025 1.00 73.21 C ATOM 776 CG GLU A 51 12.966 -20.171 -8.214 1.00 10.13 C ATOM 777 CD GLU A 51 12.782 -18.951 -7.332 1.00 21.22 C ATOM 778 OE1 GLU A 51 11.747 -18.267 -7.473 1.00 22.15 O ATOM 779 OE2 GLU A 51 13.674 -18.681 -6.500 1.00 61.32 O ATOM 0 H GLU A 51 9.516 -20.007 -10.017 1.00 63.12 H new ATOM 0 HA GLU A 51 11.997 -18.651 -10.089 1.00 13.22 H new ATOM 0 HB2 GLU A 51 10.845 -20.374 -8.393 1.00 73.21 H new ATOM 0 HB3 GLU A 51 11.759 -21.547 -9.320 1.00 73.21 H new ATOM 0 HG2 GLU A 51 13.226 -21.028 -7.593 1.00 10.13 H new ATOM 0 HG3 GLU A 51 13.804 -20.002 -8.891 1.00 10.13 H new ATOM 786 N THR A 52 13.620 -20.084 -11.481 1.00 63.44 N ATOM 787 CA THR A 52 14.445 -20.640 -12.547 1.00 55.34 C ATOM 788 C THR A 52 14.631 -22.143 -12.372 1.00 54.55 C ATOM 789 O THR A 52 15.079 -22.605 -11.323 1.00 53.22 O ATOM 790 CB THR A 52 15.828 -19.965 -12.597 1.00 43.11 C ATOM 791 OG1 THR A 52 15.677 -18.545 -12.701 1.00 44.24 O ATOM 792 CG2 THR A 52 16.640 -20.482 -13.775 1.00 44.41 C ATOM 0 H THR A 52 14.137 -19.552 -10.782 1.00 63.44 H new ATOM 0 HA THR A 52 13.922 -20.449 -13.484 1.00 55.34 H new ATOM 0 HB THR A 52 16.359 -20.206 -11.676 1.00 43.11 H new ATOM 0 HG1 THR A 52 16.547 -18.136 -12.891 1.00 44.24 H new ATOM 0 HG21 THR A 52 17.613 -19.991 -13.790 1.00 44.41 H new ATOM 0 HG22 THR A 52 16.778 -21.559 -13.677 1.00 44.41 H new ATOM 0 HG23 THR A 52 16.111 -20.267 -14.704 1.00 44.41 H new ATOM 800 N VAL A 53 14.284 -22.902 -13.407 1.00 42.54 N ATOM 801 CA VAL A 53 14.415 -24.353 -13.368 1.00 60.15 C ATOM 802 C VAL A 53 15.677 -24.811 -14.091 1.00 40.21 C ATOM 803 O VAL A 53 16.089 -24.211 -15.084 1.00 55.43 O ATOM 804 CB VAL A 53 13.194 -25.044 -14.004 1.00 12.11 C ATOM 805 CG1 VAL A 53 11.914 -24.618 -13.301 1.00 53.03 C ATOM 806 CG2 VAL A 53 13.123 -24.736 -15.492 1.00 34.30 C ATOM 0 H VAL A 53 13.910 -22.536 -14.282 1.00 42.54 H new ATOM 0 HA VAL A 53 14.478 -24.637 -12.317 1.00 60.15 H new ATOM 0 HB VAL A 53 13.304 -26.122 -13.885 1.00 12.11 H new ATOM 0 HG11 VAL A 53 11.062 -25.116 -13.764 1.00 53.03 H new ATOM 0 HG12 VAL A 53 11.968 -24.894 -12.248 1.00 53.03 H new ATOM 0 HG13 VAL A 53 11.794 -23.538 -13.387 1.00 53.03 H new ATOM 0 HG21 VAL A 53 12.255 -25.232 -15.925 1.00 34.30 H new ATOM 0 HG22 VAL A 53 13.036 -23.659 -15.637 1.00 34.30 H new ATOM 0 HG23 VAL A 53 14.028 -25.096 -15.982 1.00 34.30 H new ATOM 816 N TYR A 54 16.287 -25.877 -13.586 1.00 70.44 N ATOM 817 CA TYR A 54 17.504 -26.415 -14.183 1.00 21.25 C ATOM 818 C TYR A 54 17.643 -27.906 -13.887 1.00 52.42 C ATOM 819 O TYR A 54 16.997 -28.433 -12.981 1.00 60.15 O ATOM 820 CB TYR A 54 18.729 -25.664 -13.658 1.00 51.11 C ATOM 821 CG TYR A 54 19.055 -25.970 -12.214 1.00 32.52 C ATOM 822 CD1 TYR A 54 18.165 -25.648 -11.197 1.00 31.33 C ATOM 823 CD2 TYR A 54 20.253 -26.583 -11.867 1.00 35.44 C ATOM 824 CE1 TYR A 54 18.459 -25.926 -9.876 1.00 1.22 C ATOM 825 CE2 TYR A 54 20.554 -26.866 -10.548 1.00 64.14 C ATOM 826 CZ TYR A 54 19.655 -26.535 -9.557 1.00 13.13 C ATOM 827 OH TYR A 54 19.951 -26.814 -8.242 1.00 72.42 O ATOM 0 H TYR A 54 15.959 -26.386 -12.765 1.00 70.44 H new ATOM 0 HA TYR A 54 17.439 -26.282 -15.263 1.00 21.25 H new ATOM 0 HB2 TYR A 54 19.591 -25.914 -14.277 1.00 51.11 H new ATOM 0 HB3 TYR A 54 18.561 -24.592 -13.764 1.00 51.11 H new ATOM 0 HD1 TYR A 54 17.227 -25.172 -11.443 1.00 31.33 H new ATOM 0 HD2 TYR A 54 20.960 -26.843 -12.641 1.00 35.44 H new ATOM 0 HE1 TYR A 54 17.756 -25.668 -9.097 1.00 1.22 H new ATOM 0 HE2 TYR A 54 21.489 -27.344 -10.295 1.00 64.14 H new ATOM 0 HH TYR A 54 20.830 -27.244 -8.189 1.00 72.42 H new ATOM 837 N ASP A 55 18.490 -28.578 -14.658 1.00 62.11 N ATOM 838 CA ASP A 55 18.717 -30.008 -14.480 1.00 15.34 C ATOM 839 C ASP A 55 19.991 -30.449 -15.192 1.00 61.22 C ATOM 840 O ASP A 55 19.946 -30.943 -16.318 1.00 53.11 O ATOM 841 CB ASP A 55 17.521 -30.804 -15.005 1.00 65.52 C ATOM 842 CG ASP A 55 17.088 -30.354 -16.386 1.00 72.44 C ATOM 843 OD1 ASP A 55 16.416 -29.306 -16.485 1.00 24.32 O ATOM 844 OD2 ASP A 55 17.419 -31.051 -17.369 1.00 2.30 O ATOM 0 H ASP A 55 19.031 -28.156 -15.413 1.00 62.11 H new ATOM 0 HA ASP A 55 18.834 -30.203 -13.414 1.00 15.34 H new ATOM 0 HB2 ASP A 55 17.778 -31.863 -15.035 1.00 65.52 H new ATOM 0 HB3 ASP A 55 16.686 -30.698 -14.313 1.00 65.52 H new ATOM 849 N GLY A 56 21.128 -30.267 -14.528 1.00 3.43 N ATOM 850 CA GLY A 56 22.399 -30.650 -15.113 1.00 65.15 C ATOM 851 C GLY A 56 23.512 -30.725 -14.087 1.00 0.43 C ATOM 852 O GLY A 56 23.857 -31.807 -13.612 1.00 73.21 O ATOM 0 H GLY A 56 21.191 -29.861 -13.595 1.00 3.43 H new ATOM 0 HA2 GLY A 56 22.293 -31.619 -15.601 1.00 65.15 H new ATOM 0 HA3 GLY A 56 22.670 -29.932 -15.887 1.00 65.15 H new ATOM 856 N TYR A 57 24.076 -29.572 -13.744 1.00 24.12 N ATOM 857 CA TYR A 57 25.160 -29.512 -12.770 1.00 13.43 C ATOM 858 C TYR A 57 24.978 -28.327 -11.826 1.00 33.05 C ATOM 859 O TYR A 57 24.565 -28.491 -10.678 1.00 21.55 O ATOM 860 CB TYR A 57 26.509 -29.407 -13.482 1.00 62.52 C ATOM 861 CG TYR A 57 26.976 -30.712 -14.088 1.00 4.23 C ATOM 862 CD1 TYR A 57 27.681 -31.639 -13.330 1.00 1.04 C ATOM 863 CD2 TYR A 57 26.714 -31.017 -15.418 1.00 3.35 C ATOM 864 CE1 TYR A 57 28.111 -32.832 -13.879 1.00 13.24 C ATOM 865 CE2 TYR A 57 27.139 -32.208 -15.974 1.00 53.54 C ATOM 866 CZ TYR A 57 27.837 -33.112 -15.201 1.00 54.41 C ATOM 867 OH TYR A 57 28.262 -34.298 -15.752 1.00 63.45 O ATOM 0 H TYR A 57 23.801 -28.667 -14.126 1.00 24.12 H new ATOM 0 HA TYR A 57 25.137 -30.430 -12.182 1.00 13.43 H new ATOM 0 HB2 TYR A 57 26.438 -28.656 -14.268 1.00 62.52 H new ATOM 0 HB3 TYR A 57 27.259 -29.056 -12.773 1.00 62.52 H new ATOM 0 HD1 TYR A 57 27.897 -31.423 -12.294 1.00 1.04 H new ATOM 0 HD2 TYR A 57 26.169 -30.311 -16.027 1.00 3.35 H new ATOM 0 HE1 TYR A 57 28.659 -33.541 -13.276 1.00 13.24 H new ATOM 0 HE2 TYR A 57 26.926 -32.430 -17.009 1.00 53.54 H new ATOM 0 HH TYR A 57 27.987 -34.339 -16.692 1.00 63.45 H new ATOM 877 N SER A 58 25.288 -27.132 -12.319 1.00 25.53 N ATOM 878 CA SER A 58 25.163 -25.919 -11.519 1.00 72.35 C ATOM 879 C SER A 58 25.037 -24.690 -12.414 1.00 52.02 C ATOM 880 O SER A 58 25.994 -24.287 -13.075 1.00 63.53 O ATOM 881 CB SER A 58 26.370 -25.767 -10.592 1.00 32.23 C ATOM 882 OG SER A 58 26.402 -26.801 -9.623 1.00 14.12 O ATOM 0 H SER A 58 25.627 -26.978 -13.268 1.00 25.53 H new ATOM 0 HA SER A 58 24.259 -26.003 -10.915 1.00 72.35 H new ATOM 0 HB2 SER A 58 27.288 -25.786 -11.179 1.00 32.23 H new ATOM 0 HB3 SER A 58 26.330 -24.798 -10.094 1.00 32.23 H new ATOM 0 HG SER A 58 25.672 -27.433 -9.794 1.00 14.12 H new ATOM 888 N LYS A 59 23.848 -24.097 -12.430 1.00 12.01 N ATOM 889 CA LYS A 59 23.594 -22.913 -13.241 1.00 53.44 C ATOM 890 C LYS A 59 23.817 -21.640 -12.431 1.00 42.31 C ATOM 891 O LYS A 59 22.900 -21.137 -11.781 1.00 3.05 O ATOM 892 CB LYS A 59 22.164 -22.939 -13.785 1.00 75.04 C ATOM 893 CG LYS A 59 21.748 -24.291 -14.338 1.00 70.41 C ATOM 894 CD LYS A 59 22.550 -24.658 -15.575 1.00 60.44 C ATOM 895 CE LYS A 59 21.872 -24.166 -16.845 1.00 63.41 C ATOM 896 NZ LYS A 59 22.179 -22.735 -17.119 1.00 31.13 N ATOM 0 H LYS A 59 23.045 -24.418 -11.890 1.00 12.01 H new ATOM 0 HA LYS A 59 24.294 -22.919 -14.076 1.00 53.44 H new ATOM 0 HB2 LYS A 59 21.476 -22.654 -12.989 1.00 75.04 H new ATOM 0 HB3 LYS A 59 22.070 -22.190 -14.571 1.00 75.04 H new ATOM 0 HG2 LYS A 59 21.886 -25.056 -13.574 1.00 70.41 H new ATOM 0 HG3 LYS A 59 20.686 -24.274 -14.584 1.00 70.41 H new ATOM 0 HD2 LYS A 59 23.548 -24.227 -15.504 1.00 60.44 H new ATOM 0 HD3 LYS A 59 22.673 -25.740 -15.623 1.00 60.44 H new ATOM 0 HE2 LYS A 59 22.196 -24.775 -17.689 1.00 63.41 H new ATOM 0 HE3 LYS A 59 20.793 -24.295 -16.754 1.00 63.41 H new ATOM 0 HZ1 LYS A 59 22.165 -22.567 -18.145 1.00 31.13 H new ATOM 0 HZ2 LYS A 59 21.466 -22.133 -16.660 1.00 31.13 H new ATOM 0 HZ3 LYS A 59 23.121 -22.504 -16.743 1.00 31.13 H new ATOM 910 N HIS A 60 25.041 -21.122 -12.476 1.00 33.10 N ATOM 911 CA HIS A 60 25.384 -19.906 -11.747 1.00 55.13 C ATOM 912 C HIS A 60 25.283 -18.683 -12.654 1.00 15.23 C ATOM 913 O HIS A 60 26.019 -17.711 -12.486 1.00 20.34 O ATOM 914 CB HIS A 60 26.796 -20.013 -11.171 1.00 15.44 C ATOM 915 CG HIS A 60 27.871 -19.989 -12.212 1.00 44.33 C ATOM 916 ND1 HIS A 60 28.124 -21.048 -13.058 1.00 75.12 N ATOM 917 CD2 HIS A 60 28.762 -19.025 -12.543 1.00 52.44 C ATOM 918 CE1 HIS A 60 29.124 -20.737 -13.863 1.00 74.34 C ATOM 919 NE2 HIS A 60 29.529 -19.514 -13.572 1.00 34.31 N ATOM 0 H HIS A 60 25.811 -21.525 -13.009 1.00 33.10 H new ATOM 0 HA HIS A 60 24.674 -19.789 -10.928 1.00 55.13 H new ATOM 0 HB2 HIS A 60 26.958 -19.191 -10.474 1.00 15.44 H new ATOM 0 HB3 HIS A 60 26.877 -20.937 -10.598 1.00 15.44 H new ATOM 0 HD2 HIS A 60 28.853 -18.052 -12.083 1.00 52.44 H new ATOM 0 HE1 HIS A 60 29.540 -21.375 -14.629 1.00 74.34 H new ATOM 0 HE2 HIS A 60 30.288 -19.014 -14.036 1.00 34.31 H new ATOM 927 N ALA A 61 24.366 -18.738 -13.615 1.00 23.52 N ATOM 928 CA ALA A 61 24.168 -17.635 -14.546 1.00 65.15 C ATOM 929 C ALA A 61 23.193 -16.608 -13.982 1.00 31.11 C ATOM 930 O ALA A 61 23.597 -15.534 -13.536 1.00 34.34 O ATOM 931 CB ALA A 61 23.671 -18.158 -15.886 1.00 32.22 C ATOM 0 H ALA A 61 23.749 -19.535 -13.769 1.00 23.52 H new ATOM 0 HA ALA A 61 25.128 -17.141 -14.695 1.00 65.15 H new ATOM 0 HB1 ALA A 61 23.527 -17.323 -16.572 1.00 32.22 H new ATOM 0 HB2 ALA A 61 24.405 -18.848 -16.302 1.00 32.22 H new ATOM 0 HB3 ALA A 61 22.724 -18.679 -15.745 1.00 32.22 H new ATOM 937 N SER A 62 21.907 -16.945 -14.005 1.00 42.55 N ATOM 938 CA SER A 62 20.873 -16.049 -13.500 1.00 24.01 C ATOM 939 C SER A 62 19.859 -16.813 -12.655 1.00 34.11 C ATOM 940 O SER A 62 19.501 -17.949 -12.968 1.00 70.21 O ATOM 941 CB SER A 62 20.164 -15.349 -14.660 1.00 54.32 C ATOM 942 OG SER A 62 20.984 -14.342 -15.227 1.00 64.33 O ATOM 0 H SER A 62 21.557 -17.832 -14.368 1.00 42.55 H new ATOM 0 HA SER A 62 21.352 -15.298 -12.871 1.00 24.01 H new ATOM 0 HB2 SER A 62 19.901 -16.081 -15.424 1.00 54.32 H new ATOM 0 HB3 SER A 62 19.232 -14.907 -14.307 1.00 54.32 H new ATOM 0 HG SER A 62 21.252 -14.609 -16.131 1.00 64.33 H new ATOM 948 N THR A 63 19.397 -16.181 -11.580 1.00 42.01 N ATOM 949 CA THR A 63 18.425 -16.800 -10.688 1.00 52.31 C ATOM 950 C THR A 63 17.254 -15.862 -10.415 1.00 64.02 C ATOM 951 O THR A 63 17.432 -14.771 -9.872 1.00 22.45 O ATOM 952 CB THR A 63 19.069 -17.203 -9.348 1.00 15.50 C ATOM 953 OG1 THR A 63 20.155 -16.322 -9.042 1.00 45.13 O ATOM 954 CG2 THR A 63 19.571 -18.638 -9.399 1.00 13.45 C ATOM 0 H THR A 63 19.681 -15.240 -11.306 1.00 42.01 H new ATOM 0 HA THR A 63 18.060 -17.696 -11.191 1.00 52.31 H new ATOM 0 HB THR A 63 18.311 -17.128 -8.568 1.00 15.50 H new ATOM 0 HG1 THR A 63 20.921 -16.536 -9.614 1.00 45.13 H new ATOM 0 HG21 THR A 63 20.022 -18.900 -8.442 1.00 13.45 H new ATOM 0 HG22 THR A 63 18.736 -19.309 -9.603 1.00 13.45 H new ATOM 0 HG23 THR A 63 20.315 -18.735 -10.189 1.00 13.45 H new ATOM 962 N THR A 64 16.056 -16.293 -10.795 1.00 75.12 N ATOM 963 CA THR A 64 14.855 -15.492 -10.592 1.00 3.32 C ATOM 964 C THR A 64 14.149 -15.878 -9.298 1.00 31.45 C ATOM 965 O THR A 64 13.595 -16.972 -9.184 1.00 41.13 O ATOM 966 CB THR A 64 13.871 -15.646 -11.766 1.00 50.05 C ATOM 967 OG1 THR A 64 14.593 -15.806 -12.993 1.00 11.22 O ATOM 968 CG2 THR A 64 12.954 -14.437 -11.866 1.00 55.41 C ATOM 0 H THR A 64 15.891 -17.193 -11.245 1.00 75.12 H new ATOM 0 HA THR A 64 15.176 -14.452 -10.531 1.00 3.32 H new ATOM 0 HB THR A 64 13.261 -16.531 -11.586 1.00 50.05 H new ATOM 0 HG1 THR A 64 14.981 -16.705 -13.029 1.00 11.22 H new ATOM 0 HG21 THR A 64 12.268 -14.569 -12.703 1.00 55.41 H new ATOM 0 HG22 THR A 64 12.384 -14.335 -10.942 1.00 55.41 H new ATOM 0 HG23 THR A 64 13.551 -13.539 -12.025 1.00 55.41 H new ATOM 976 N SER A 65 14.171 -14.974 -8.324 1.00 23.25 N ATOM 977 CA SER A 65 13.535 -15.223 -7.035 1.00 41.52 C ATOM 978 C SER A 65 12.141 -14.605 -6.990 1.00 12.22 C ATOM 979 O SER A 65 11.933 -13.479 -7.442 1.00 52.43 O ATOM 980 CB SER A 65 14.393 -14.657 -5.901 1.00 71.25 C ATOM 981 OG SER A 65 15.414 -15.568 -5.532 1.00 42.51 O ATOM 0 H SER A 65 14.622 -14.063 -8.403 1.00 23.25 H new ATOM 0 HA SER A 65 13.441 -16.301 -6.906 1.00 41.52 H new ATOM 0 HB2 SER A 65 14.839 -13.713 -6.214 1.00 71.25 H new ATOM 0 HB3 SER A 65 13.764 -14.441 -5.037 1.00 71.25 H new ATOM 0 HG SER A 65 15.950 -15.183 -4.807 1.00 42.51 H new ATOM 987 N CYS A 66 11.188 -15.350 -6.440 1.00 70.32 N ATOM 988 CA CYS A 66 9.813 -14.879 -6.335 1.00 15.51 C ATOM 989 C CYS A 66 9.300 -15.013 -4.904 1.00 55.20 C ATOM 990 O CYS A 66 9.573 -16.003 -4.225 1.00 75.10 O ATOM 991 CB CYS A 66 8.908 -15.662 -7.288 1.00 61.12 C ATOM 992 SG CYS A 66 9.672 -16.036 -8.899 1.00 24.41 S ATOM 0 H CYS A 66 11.344 -16.284 -6.060 1.00 70.32 H new ATOM 0 HA CYS A 66 9.795 -13.825 -6.612 1.00 15.51 H new ATOM 0 HB2 CYS A 66 8.617 -16.597 -6.810 1.00 61.12 H new ATOM 0 HB3 CYS A 66 7.994 -15.092 -7.455 1.00 61.12 H new ATOM 997 N CYS A 67 8.554 -14.010 -4.452 1.00 44.41 N ATOM 998 CA CYS A 67 8.003 -14.014 -3.103 1.00 14.23 C ATOM 999 C CYS A 67 6.751 -13.145 -3.024 1.00 54.13 C ATOM 1000 O CYS A 67 6.435 -12.409 -3.959 1.00 21.02 O ATOM 1001 CB CYS A 67 9.046 -13.516 -2.101 1.00 1.42 C ATOM 1002 SG CYS A 67 10.091 -12.161 -2.727 1.00 60.32 S ATOM 0 H CYS A 67 8.317 -13.184 -5.001 1.00 44.41 H new ATOM 0 HA CYS A 67 7.729 -15.039 -2.853 1.00 14.23 H new ATOM 0 HB2 CYS A 67 8.536 -13.180 -1.198 1.00 1.42 H new ATOM 0 HB3 CYS A 67 9.685 -14.351 -1.813 1.00 1.42 H new ATOM 1007 N GLN A 68 6.043 -13.236 -1.903 1.00 72.41 N ATOM 1008 CA GLN A 68 4.826 -12.459 -1.703 1.00 55.01 C ATOM 1009 C GLN A 68 4.886 -11.679 -0.394 1.00 25.22 C ATOM 1010 O GLN A 68 3.876 -11.157 0.077 1.00 52.12 O ATOM 1011 CB GLN A 68 3.602 -13.377 -1.707 1.00 63.40 C ATOM 1012 CG GLN A 68 2.336 -12.702 -2.209 1.00 21.15 C ATOM 1013 CD GLN A 68 1.535 -12.061 -1.092 1.00 45.44 C ATOM 1014 OE1 GLN A 68 1.180 -12.716 -0.112 1.00 40.41 O ATOM 1015 NE2 GLN A 68 1.247 -10.772 -1.235 1.00 60.32 N ATOM 0 H GLN A 68 6.291 -13.840 -1.120 1.00 72.41 H new ATOM 0 HA GLN A 68 4.741 -11.748 -2.525 1.00 55.01 H new ATOM 0 HB2 GLN A 68 3.812 -14.246 -2.331 1.00 63.40 H new ATOM 0 HB3 GLN A 68 3.431 -13.745 -0.695 1.00 63.40 H new ATOM 0 HG2 GLN A 68 2.601 -11.942 -2.944 1.00 21.15 H new ATOM 0 HG3 GLN A 68 1.715 -13.437 -2.721 1.00 21.15 H new ATOM 0 HE21 GLN A 68 1.562 -10.268 -2.064 1.00 60.32 H new ATOM 0 HE22 GLN A 68 0.711 -10.286 -0.516 1.00 60.32 H new ATOM 1024 N TYR A 69 6.077 -11.605 0.190 1.00 65.03 N ATOM 1025 CA TYR A 69 6.270 -10.891 1.447 1.00 74.45 C ATOM 1026 C TYR A 69 6.763 -9.470 1.196 1.00 53.52 C ATOM 1027 O TYR A 69 7.514 -9.218 0.254 1.00 61.15 O ATOM 1028 CB TYR A 69 7.265 -11.639 2.335 1.00 64.12 C ATOM 1029 CG TYR A 69 7.840 -10.791 3.447 1.00 31.42 C ATOM 1030 CD1 TYR A 69 7.022 -10.265 4.439 1.00 3.14 C ATOM 1031 CD2 TYR A 69 9.201 -10.518 3.506 1.00 10.33 C ATOM 1032 CE1 TYR A 69 7.543 -9.489 5.457 1.00 70.20 C ATOM 1033 CE2 TYR A 69 9.731 -9.744 4.521 1.00 34.30 C ATOM 1034 CZ TYR A 69 8.898 -9.232 5.494 1.00 54.14 C ATOM 1035 OH TYR A 69 9.420 -8.461 6.506 1.00 3.15 O ATOM 0 H TYR A 69 6.924 -12.031 -0.187 1.00 65.03 H new ATOM 0 HA TYR A 69 5.308 -10.837 1.956 1.00 74.45 H new ATOM 0 HB2 TYR A 69 6.770 -12.507 2.770 1.00 64.12 H new ATOM 0 HB3 TYR A 69 8.080 -12.014 1.717 1.00 64.12 H new ATOM 0 HD1 TYR A 69 5.961 -10.466 4.414 1.00 3.14 H new ATOM 0 HD2 TYR A 69 9.856 -10.917 2.746 1.00 10.33 H new ATOM 0 HE1 TYR A 69 6.893 -9.086 6.219 1.00 70.20 H new ATOM 0 HE2 TYR A 69 10.791 -9.541 4.552 1.00 34.30 H new ATOM 0 HH TYR A 69 10.389 -8.377 6.387 1.00 3.15 H new ATOM 1045 N ASP A 70 6.334 -8.543 2.046 1.00 25.55 N ATOM 1046 CA ASP A 70 6.733 -7.146 1.920 1.00 73.31 C ATOM 1047 C ASP A 70 8.252 -7.010 1.940 1.00 70.34 C ATOM 1048 O ASP A 70 8.925 -7.566 2.809 1.00 15.44 O ATOM 1049 CB ASP A 70 6.119 -6.315 3.048 1.00 42.24 C ATOM 1050 CG ASP A 70 4.644 -6.043 2.830 1.00 74.22 C ATOM 1051 OD1 ASP A 70 4.280 -5.590 1.724 1.00 62.51 O ATOM 1052 OD2 ASP A 70 3.852 -6.284 3.765 1.00 62.11 O ATOM 0 H ASP A 70 5.710 -8.734 2.830 1.00 25.55 H new ATOM 0 HA ASP A 70 6.366 -6.774 0.963 1.00 73.31 H new ATOM 0 HB2 ASP A 70 6.253 -6.838 3.995 1.00 42.24 H new ATOM 0 HB3 ASP A 70 6.652 -5.368 3.129 1.00 42.24 H new ATOM 1057 N LEU A 71 8.787 -6.270 0.975 1.00 11.33 N ATOM 1058 CA LEU A 71 10.228 -6.061 0.881 1.00 73.24 C ATOM 1059 C LEU A 71 10.977 -7.386 0.983 1.00 44.33 C ATOM 1060 O LEU A 71 12.084 -7.445 1.520 1.00 70.35 O ATOM 1061 CB LEU A 71 10.699 -5.109 1.982 1.00 75.53 C ATOM 1062 CG LEU A 71 9.965 -3.771 2.071 1.00 51.22 C ATOM 1063 CD1 LEU A 71 10.648 -2.854 3.074 1.00 54.34 C ATOM 1064 CD2 LEU A 71 9.894 -3.109 0.702 1.00 24.22 C ATOM 0 H LEU A 71 8.245 -5.805 0.247 1.00 11.33 H new ATOM 0 HA LEU A 71 10.443 -5.616 -0.091 1.00 73.24 H new ATOM 0 HB2 LEU A 71 10.602 -5.618 2.941 1.00 75.53 H new ATOM 0 HB3 LEU A 71 11.760 -4.909 1.833 1.00 75.53 H new ATOM 0 HG LEU A 71 8.948 -3.958 2.415 1.00 51.22 H new ATOM 0 HD11 LEU A 71 10.112 -1.906 3.124 1.00 54.34 H new ATOM 0 HD12 LEU A 71 10.646 -3.325 4.057 1.00 54.34 H new ATOM 0 HD13 LEU A 71 11.676 -2.673 2.760 1.00 54.34 H new ATOM 0 HD21 LEU A 71 9.368 -2.158 0.785 1.00 24.22 H new ATOM 0 HD22 LEU A 71 10.903 -2.934 0.329 1.00 24.22 H new ATOM 0 HD23 LEU A 71 9.360 -3.760 0.010 1.00 24.22 H new ATOM 1076 N CYS A 72 10.368 -8.446 0.462 1.00 4.11 N ATOM 1077 CA CYS A 72 10.978 -9.770 0.492 1.00 10.14 C ATOM 1078 C CYS A 72 12.245 -9.805 -0.357 1.00 41.13 C ATOM 1079 O CYS A 72 13.165 -10.576 -0.087 1.00 12.34 O ATOM 1080 CB CYS A 72 9.986 -10.822 -0.007 1.00 63.35 C ATOM 1081 SG CYS A 72 9.449 -10.578 -1.731 1.00 34.12 S ATOM 0 H CYS A 72 9.452 -8.414 0.014 1.00 4.11 H new ATOM 0 HA CYS A 72 11.248 -9.995 1.524 1.00 10.14 H new ATOM 0 HB2 CYS A 72 10.442 -11.808 0.084 1.00 63.35 H new ATOM 0 HB3 CYS A 72 9.109 -10.815 0.640 1.00 63.35 H new ATOM 1086 N ASN A 73 12.285 -8.964 -1.386 1.00 14.02 N ATOM 1087 CA ASN A 73 13.438 -8.899 -2.276 1.00 2.44 C ATOM 1088 C ASN A 73 14.413 -7.815 -1.824 1.00 72.10 C ATOM 1089 O ASN A 73 15.171 -7.274 -2.627 1.00 44.22 O ATOM 1090 CB ASN A 73 12.986 -8.627 -3.712 1.00 20.12 C ATOM 1091 CG ASN A 73 12.303 -7.281 -3.858 1.00 73.11 C ATOM 1092 OD1 ASN A 73 11.972 -6.630 -2.867 1.00 53.44 O ATOM 1093 ND2 ASN A 73 12.088 -6.858 -5.099 1.00 22.54 N ATOM 0 H ASN A 73 11.532 -8.318 -1.624 1.00 14.02 H new ATOM 0 HA ASN A 73 13.949 -9.861 -2.239 1.00 2.44 H new ATOM 0 HB2 ASN A 73 13.850 -8.667 -4.376 1.00 20.12 H new ATOM 0 HB3 ASN A 73 12.303 -9.414 -4.030 1.00 20.12 H new ATOM 0 HD21 ASN A 73 11.632 -5.960 -5.260 1.00 22.54 H new ATOM 0 HD22 ASN A 73 12.379 -7.431 -5.891 1.00 22.54 H new ATOM 1100 N GLY A 74 14.386 -7.504 -0.531 1.00 63.15 N ATOM 1101 CA GLY A 74 15.272 -6.487 0.005 1.00 31.31 C ATOM 1102 C GLY A 74 16.650 -7.030 0.328 1.00 72.31 C ATOM 1103 O GLY A 74 16.810 -7.824 1.255 1.00 11.44 O ATOM 0 H GLY A 74 13.767 -7.938 0.154 1.00 63.15 H new ATOM 0 HA2 GLY A 74 15.365 -5.674 -0.715 1.00 31.31 H new ATOM 0 HA3 GLY A 74 14.831 -6.064 0.908 1.00 31.31 H new TER 1107 GLY A 74