USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 863 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 98 LYS NZ :NH3+ -172:sc= -0.993 (180deg=0) USER MOD Set 1.2: A 101 ASN : amide:sc= -1.24 K(o=-2.2,f=-4!) USER MOD Set 2.1: A 10 SER OG : rot 154:sc= 0.906 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.714 X(o=1.6,f=1.3) USER MOD Single : A 1 MET CE :methyl -145:sc= -5.8! (180deg=-8.51!) USER MOD Single : A 1 MET N :NH3+ 154:sc= -0.192 (180deg=-1.24!) USER MOD Single : A 2 THR OG1 : rot 105:sc= 1.29 USER MOD Single : A 4 CYS SG : rot 180:sc= -3.83! USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 110:sc= -0.755 USER MOD Single : A 8 ASN :FLIP amide:sc= -4.11! C(o=-5.6!,f=-4.1!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.014) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 41:sc=-0.00816 USER MOD Single : A 23 MET CE :methyl 162:sc= -0.027 (180deg=-0.219) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.502 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.337 F(o=-0.88,f=-0.34) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 151:sc= -0.965 (180deg=-3.31!) USER MOD Single : A 46 MET CE :methyl -162:sc= -0.0481 (180deg=-0.443) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.317 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -0.0249 (180deg=-0.81) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0652) USER MOD Single : A 77 MET CE :methyl -134:sc= -2.73 (180deg=-5.51!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -179:sc= -6.14! (180deg=-6.16!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.033 (180deg=-0.263) USER MOD Single : A 95 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 100 LYS NZ :NH3+ 145:sc= -0.268 (180deg=-1.8!) USER MOD Single : A 102 LYS NZ :NH3+ -156:sc= 0.355 (180deg=0.121) USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= -0.0918 (180deg=-0.427) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -130:sc= -0.298 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.382 -0.709 0.687 1.00 21.42 N ATOM 2 CA MET A 1 2.055 -0.361 -0.559 1.00 54.10 C ATOM 3 C MET A 1 3.405 -1.063 -0.663 1.00 12.11 C ATOM 4 O MET A 1 3.948 -1.539 0.335 1.00 75.12 O ATOM 5 CB MET A 1 2.246 1.154 -0.654 1.00 14.10 C ATOM 6 CG MET A 1 2.615 1.804 0.670 1.00 54.24 C ATOM 7 SD MET A 1 3.955 2.999 0.507 1.00 50.24 S ATOM 8 CE MET A 1 5.245 1.968 -0.186 1.00 43.34 C ATOM 0 H1 MET A 1 0.731 0.056 0.955 1.00 21.42 H new ATOM 0 H2 MET A 1 0.846 -1.591 0.557 1.00 21.42 H new ATOM 0 H3 MET A 1 2.089 -0.841 1.438 1.00 21.42 H new ATOM 0 HA MET A 1 1.428 -0.694 -1.386 1.00 54.10 H new ATOM 0 HB2 MET A 1 3.026 1.369 -1.385 1.00 14.10 H new ATOM 0 HB3 MET A 1 1.327 1.605 -1.027 1.00 14.10 H new ATOM 0 HG2 MET A 1 1.738 2.302 1.083 1.00 54.24 H new ATOM 0 HG3 MET A 1 2.907 1.031 1.381 1.00 54.24 H new ATOM 0 HE1 MET A 1 6.213 2.286 0.202 1.00 43.34 H new ATOM 0 HE2 MET A 1 5.068 0.929 0.090 1.00 43.34 H new ATOM 0 HE3 MET A 1 5.241 2.061 -1.272 1.00 43.34 H new ATOM 18 N THR A 2 3.943 -1.124 -1.877 1.00 22.30 N ATOM 19 CA THR A 2 5.229 -1.769 -2.111 1.00 70.41 C ATOM 20 C THR A 2 6.327 -0.738 -2.343 1.00 63.12 C ATOM 21 O THR A 2 6.162 0.194 -3.131 1.00 74.14 O ATOM 22 CB THR A 2 5.169 -2.720 -3.322 1.00 15.40 C ATOM 23 OG1 THR A 2 3.849 -3.260 -3.455 1.00 41.24 O ATOM 24 CG2 THR A 2 6.173 -3.852 -3.172 1.00 31.23 C ATOM 0 H THR A 2 3.508 -0.735 -2.713 1.00 22.30 H new ATOM 0 HA THR A 2 5.460 -2.347 -1.216 1.00 70.41 H new ATOM 0 HB THR A 2 5.420 -2.150 -4.217 1.00 15.40 H new ATOM 0 HG1 THR A 2 3.390 -2.822 -4.202 1.00 41.24 H new ATOM 0 HG21 THR A 2 6.112 -4.510 -4.039 1.00 31.23 H new ATOM 0 HG22 THR A 2 7.179 -3.439 -3.100 1.00 31.23 H new ATOM 0 HG23 THR A 2 5.949 -4.420 -2.269 1.00 31.23 H new ATOM 32 N LEU A 3 7.449 -0.910 -1.653 1.00 63.43 N ATOM 33 CA LEU A 3 8.577 0.006 -1.785 1.00 31.10 C ATOM 34 C LEU A 3 9.801 -0.714 -2.342 1.00 2.24 C ATOM 35 O LEU A 3 10.156 -1.801 -1.884 1.00 11.20 O ATOM 36 CB LEU A 3 8.911 0.632 -0.430 1.00 44.21 C ATOM 37 CG LEU A 3 9.197 2.134 -0.437 1.00 41.32 C ATOM 38 CD1 LEU A 3 8.220 2.859 -1.350 1.00 45.12 C ATOM 39 CD2 LEU A 3 9.128 2.697 0.975 1.00 51.10 C ATOM 0 H LEU A 3 7.602 -1.675 -0.996 1.00 63.43 H new ATOM 0 HA LEU A 3 8.294 0.794 -2.483 1.00 31.10 H new ATOM 0 HB2 LEU A 3 8.080 0.444 0.249 1.00 44.21 H new ATOM 0 HB3 LEU A 3 9.781 0.119 -0.020 1.00 44.21 H new ATOM 0 HG LEU A 3 10.205 2.290 -0.820 1.00 41.32 H new ATOM 0 HD11 LEU A 3 8.439 3.927 -1.342 1.00 45.12 H new ATOM 0 HD12 LEU A 3 8.318 2.476 -2.366 1.00 45.12 H new ATOM 0 HD13 LEU A 3 7.202 2.695 -0.997 1.00 45.12 H new ATOM 0 HD21 LEU A 3 9.334 3.767 0.951 1.00 51.10 H new ATOM 0 HD22 LEU A 3 8.132 2.529 1.386 1.00 51.10 H new ATOM 0 HD23 LEU A 3 9.868 2.199 1.602 1.00 51.10 H new ATOM 51 N CYS A 4 10.444 -0.100 -3.329 1.00 14.21 N ATOM 52 CA CYS A 4 11.630 -0.681 -3.947 1.00 71.32 C ATOM 53 C CYS A 4 12.819 0.269 -3.842 1.00 74.53 C ATOM 54 O CYS A 4 12.649 1.485 -3.772 1.00 42.44 O ATOM 55 CB CYS A 4 11.355 -1.013 -5.415 1.00 32.35 C ATOM 56 SG CYS A 4 9.829 -1.944 -5.687 1.00 54.33 S ATOM 0 H CYS A 4 10.164 0.800 -3.718 1.00 14.21 H new ATOM 0 HA CYS A 4 11.874 -1.600 -3.414 1.00 71.32 H new ATOM 0 HB2 CYS A 4 11.308 -0.084 -5.984 1.00 32.35 H new ATOM 0 HB3 CYS A 4 12.193 -1.587 -5.810 1.00 32.35 H new ATOM 0 HG CYS A 4 9.682 -2.175 -6.958 1.00 54.33 H new ATOM 62 N ALA A 5 14.021 -0.296 -3.830 1.00 65.42 N ATOM 63 CA ALA A 5 15.239 0.500 -3.734 1.00 35.11 C ATOM 64 C ALA A 5 16.325 -0.045 -4.654 1.00 64.04 C ATOM 65 O ALA A 5 16.471 -1.257 -4.809 1.00 32.35 O ATOM 66 CB ALA A 5 15.732 0.537 -2.295 1.00 44.23 C ATOM 0 H ALA A 5 14.178 -1.302 -3.886 1.00 65.42 H new ATOM 0 HA ALA A 5 15.006 1.516 -4.053 1.00 35.11 H new ATOM 0 HB1 ALA A 5 16.642 1.134 -2.237 1.00 44.23 H new ATOM 0 HB2 ALA A 5 14.966 0.981 -1.659 1.00 44.23 H new ATOM 0 HB3 ALA A 5 15.942 -0.477 -1.956 1.00 44.23 H new ATOM 72 N MET A 6 17.086 0.858 -5.264 1.00 54.53 N ATOM 73 CA MET A 6 18.160 0.467 -6.170 1.00 32.04 C ATOM 74 C MET A 6 19.511 0.948 -5.650 1.00 51.21 C ATOM 75 O MET A 6 19.702 2.138 -5.398 1.00 14.05 O ATOM 76 CB MET A 6 17.908 1.032 -7.569 1.00 33.21 C ATOM 77 CG MET A 6 17.861 2.551 -7.612 1.00 32.52 C ATOM 78 SD MET A 6 16.961 3.177 -9.043 1.00 41.51 S ATOM 79 CE MET A 6 18.097 2.764 -10.365 1.00 31.32 C ATOM 0 H MET A 6 16.979 1.866 -5.147 1.00 54.53 H new ATOM 0 HA MET A 6 18.178 -0.622 -6.224 1.00 32.04 H new ATOM 0 HB2 MET A 6 18.692 0.682 -8.240 1.00 33.21 H new ATOM 0 HB3 MET A 6 16.965 0.637 -7.947 1.00 33.21 H new ATOM 0 HG2 MET A 6 17.391 2.922 -6.701 1.00 32.52 H new ATOM 0 HG3 MET A 6 18.878 2.942 -7.628 1.00 32.52 H new ATOM 0 HE1 MET A 6 17.680 3.089 -11.318 1.00 31.32 H new ATOM 0 HE2 MET A 6 19.050 3.266 -10.196 1.00 31.32 H new ATOM 0 HE3 MET A 6 18.254 1.686 -10.387 1.00 31.32 H new ATOM 89 N TYR A 7 20.445 0.017 -5.493 1.00 32.23 N ATOM 90 CA TYR A 7 21.777 0.346 -5.001 1.00 3.04 C ATOM 91 C TYR A 7 22.846 -0.055 -6.013 1.00 22.25 C ATOM 92 O TYR A 7 22.755 -1.106 -6.645 1.00 33.52 O ATOM 93 CB TYR A 7 22.037 -0.351 -3.664 1.00 71.22 C ATOM 94 CG TYR A 7 22.434 -1.803 -3.806 1.00 25.11 C ATOM 95 CD1 TYR A 7 21.507 -2.763 -4.193 1.00 43.24 C ATOM 96 CD2 TYR A 7 23.737 -2.216 -3.551 1.00 55.43 C ATOM 97 CE1 TYR A 7 21.866 -4.091 -4.324 1.00 14.34 C ATOM 98 CE2 TYR A 7 24.104 -3.541 -3.680 1.00 41.13 C ATOM 99 CZ TYR A 7 23.165 -4.475 -4.066 1.00 42.44 C ATOM 100 OH TYR A 7 23.527 -5.796 -4.195 1.00 21.13 O ATOM 0 H TYR A 7 20.304 -0.972 -5.699 1.00 32.23 H new ATOM 0 HA TYR A 7 21.826 1.425 -4.856 1.00 3.04 H new ATOM 0 HB2 TYR A 7 22.825 0.182 -3.133 1.00 71.22 H new ATOM 0 HB3 TYR A 7 21.139 -0.287 -3.050 1.00 71.22 H new ATOM 0 HD1 TYR A 7 20.488 -2.466 -4.395 1.00 43.24 H new ATOM 0 HD2 TYR A 7 24.475 -1.488 -3.247 1.00 55.43 H new ATOM 0 HE1 TYR A 7 21.133 -4.824 -4.627 1.00 14.34 H new ATOM 0 HE2 TYR A 7 25.121 -3.844 -3.480 1.00 41.13 H new ATOM 0 HH TYR A 7 24.114 -5.900 -4.973 1.00 21.13 H new ATOM 110 N ASN A 8 23.860 0.791 -6.159 1.00 44.31 N ATOM 111 CA ASN A 8 24.948 0.526 -7.094 1.00 2.34 C ATOM 112 C ASN A 8 26.267 0.331 -6.352 1.00 2.30 C ATOM 113 O ASN A 8 26.592 1.085 -5.434 1.00 12.11 O ATOM 114 CB ASN A 8 25.079 1.675 -8.096 1.00 14.02 C ATOM 115 CG ASN A 8 25.769 2.887 -7.500 1.00 35.24 C ATOM 116 OD1 ASN A 8 25.006 3.950 -7.274 1.00 71.34 O flip ATOM 117 ND2 ASN A 8 26.973 2.867 -7.245 1.00 12.05 N flip ATOM 0 H ASN A 8 23.951 1.666 -5.642 1.00 44.31 H new ATOM 0 HA ASN A 8 24.715 -0.392 -7.633 1.00 2.34 H new ATOM 0 HB2 ASN A 8 25.640 1.333 -8.966 1.00 14.02 H new ATOM 0 HB3 ASN A 8 24.088 1.961 -8.448 1.00 14.02 H new ATOM 0 HD21 ASN A 8 27.521 2.028 -7.435 1.00 12.05 H new ATOM 0 HD22 ASN A 8 27.423 3.690 -6.843 1.00 12.05 H new ATOM 124 N ILE A 9 27.023 -0.684 -6.757 1.00 12.21 N ATOM 125 CA ILE A 9 28.307 -0.976 -6.132 1.00 72.42 C ATOM 126 C ILE A 9 29.454 -0.785 -7.118 1.00 42.21 C ATOM 127 O ILE A 9 29.411 -1.285 -8.242 1.00 32.31 O ATOM 128 CB ILE A 9 28.351 -2.415 -5.584 1.00 1.25 C ATOM 129 CG1 ILE A 9 27.608 -3.366 -6.524 1.00 45.13 C ATOM 130 CG2 ILE A 9 27.751 -2.467 -4.186 1.00 62.54 C ATOM 131 CD1 ILE A 9 27.523 -4.784 -6.005 1.00 74.25 C ATOM 0 H ILE A 9 26.769 -1.318 -7.515 1.00 12.21 H new ATOM 0 HA ILE A 9 28.422 -0.276 -5.304 1.00 72.42 H new ATOM 0 HB ILE A 9 29.392 -2.734 -5.525 1.00 1.25 H new ATOM 0 HG12 ILE A 9 26.599 -2.987 -6.689 1.00 45.13 H new ATOM 0 HG13 ILE A 9 28.108 -3.371 -7.492 1.00 45.13 H new ATOM 0 HG21 ILE A 9 27.789 -3.490 -3.812 1.00 62.54 H new ATOM 0 HG22 ILE A 9 28.319 -1.816 -3.522 1.00 62.54 H new ATOM 0 HG23 ILE A 9 26.714 -2.132 -4.222 1.00 62.54 H new ATOM 0 HD11 ILE A 9 26.983 -5.402 -6.722 1.00 74.25 H new ATOM 0 HD12 ILE A 9 28.528 -5.182 -5.867 1.00 74.25 H new ATOM 0 HD13 ILE A 9 26.996 -4.791 -5.051 1.00 74.25 H new ATOM 143 N SER A 10 30.481 -0.058 -6.689 1.00 21.33 N ATOM 144 CA SER A 10 31.640 0.201 -7.534 1.00 44.42 C ATOM 145 C SER A 10 32.885 -0.482 -6.975 1.00 13.41 C ATOM 146 O SER A 10 33.271 -0.251 -5.829 1.00 54.24 O ATOM 147 CB SER A 10 31.882 1.707 -7.656 1.00 4.22 C ATOM 148 OG SER A 10 30.683 2.435 -7.452 1.00 25.52 O ATOM 0 H SER A 10 30.534 0.362 -5.761 1.00 21.33 H new ATOM 0 HA SER A 10 31.436 -0.209 -8.523 1.00 44.42 H new ATOM 0 HB2 SER A 10 32.629 2.019 -6.926 1.00 4.22 H new ATOM 0 HB3 SER A 10 32.286 1.935 -8.642 1.00 4.22 H new ATOM 0 HG SER A 10 30.897 3.333 -7.124 1.00 25.52 H new ATOM 154 N MET A 11 33.508 -1.324 -7.793 1.00 12.24 N ATOM 155 CA MET A 11 34.709 -2.040 -7.381 1.00 23.23 C ATOM 156 C MET A 11 35.960 -1.220 -7.679 1.00 4.13 C ATOM 157 O MET A 11 37.077 -1.644 -7.383 1.00 60.42 O ATOM 158 CB MET A 11 34.791 -3.393 -8.091 1.00 1.13 C ATOM 159 CG MET A 11 34.985 -3.279 -9.594 1.00 62.40 C ATOM 160 SD MET A 11 33.448 -3.496 -10.511 1.00 52.41 S ATOM 161 CE MET A 11 33.937 -2.914 -12.133 1.00 73.42 C ATOM 0 H MET A 11 33.201 -1.527 -8.744 1.00 12.24 H new ATOM 0 HA MET A 11 34.652 -2.205 -6.305 1.00 23.23 H new ATOM 0 HB2 MET A 11 35.616 -3.966 -7.669 1.00 1.13 H new ATOM 0 HB3 MET A 11 33.878 -3.954 -7.892 1.00 1.13 H new ATOM 0 HG2 MET A 11 35.409 -2.303 -9.829 1.00 62.40 H new ATOM 0 HG3 MET A 11 35.707 -4.027 -9.921 1.00 62.40 H new ATOM 0 HE1 MET A 11 33.090 -2.986 -12.816 1.00 73.42 H new ATOM 0 HE2 MET A 11 34.261 -1.875 -12.065 1.00 73.42 H new ATOM 0 HE3 MET A 11 34.758 -3.526 -12.507 1.00 73.42 H new ATOM 171 N ALA A 12 35.765 -0.044 -8.266 1.00 4.43 N ATOM 172 CA ALA A 12 36.878 0.836 -8.602 1.00 11.12 C ATOM 173 C ALA A 12 36.387 2.100 -9.299 1.00 51.31 C ATOM 174 O ALA A 12 35.194 2.401 -9.293 1.00 30.21 O ATOM 175 CB ALA A 12 37.883 0.104 -9.478 1.00 44.23 C ATOM 0 H ALA A 12 34.847 0.322 -8.519 1.00 4.43 H new ATOM 0 HA ALA A 12 37.369 1.132 -7.675 1.00 11.12 H new ATOM 0 HB1 ALA A 12 38.709 0.773 -9.721 1.00 44.23 H new ATOM 0 HB2 ALA A 12 38.266 -0.766 -8.944 1.00 44.23 H new ATOM 0 HB3 ALA A 12 37.396 -0.220 -10.398 1.00 44.23 H new ATOM 181 N GLY A 13 37.316 2.838 -9.899 1.00 53.45 N ATOM 182 CA GLY A 13 36.957 4.062 -10.592 1.00 43.31 C ATOM 183 C GLY A 13 36.498 3.810 -12.015 1.00 1.45 C ATOM 184 O GLY A 13 36.882 4.532 -12.935 1.00 15.42 O ATOM 0 H GLY A 13 38.310 2.610 -9.918 1.00 53.45 H new ATOM 0 HA2 GLY A 13 36.164 4.568 -10.042 1.00 43.31 H new ATOM 0 HA3 GLY A 13 37.815 4.734 -10.604 1.00 43.31 H new ATOM 188 N SER A 14 35.676 2.782 -12.196 1.00 32.01 N ATOM 189 CA SER A 14 35.168 2.433 -13.518 1.00 22.03 C ATOM 190 C SER A 14 33.665 2.178 -13.472 1.00 73.33 C ATOM 191 O SER A 14 33.101 1.905 -12.412 1.00 3.23 O ATOM 192 CB SER A 14 35.891 1.196 -14.055 1.00 10.15 C ATOM 193 OG SER A 14 35.622 1.006 -15.433 1.00 35.03 O ATOM 0 H SER A 14 35.347 2.176 -11.444 1.00 32.01 H new ATOM 0 HA SER A 14 35.356 3.273 -14.186 1.00 22.03 H new ATOM 0 HB2 SER A 14 36.965 1.304 -13.902 1.00 10.15 H new ATOM 0 HB3 SER A 14 35.576 0.315 -13.495 1.00 10.15 H new ATOM 0 HG SER A 14 36.097 0.210 -15.752 1.00 35.03 H new ATOM 199 N HIS A 15 33.020 2.268 -14.631 1.00 42.23 N ATOM 200 CA HIS A 15 31.582 2.047 -14.725 1.00 74.24 C ATOM 201 C HIS A 15 31.118 1.038 -13.679 1.00 14.22 C ATOM 202 O HIS A 15 31.310 -0.170 -13.817 1.00 41.14 O ATOM 203 CB HIS A 15 31.210 1.555 -16.125 1.00 25.44 C ATOM 204 CG HIS A 15 31.414 2.582 -17.195 1.00 4.42 C ATOM 205 ND1 HIS A 15 31.626 2.259 -18.518 1.00 62.04 N ATOM 206 CD2 HIS A 15 31.436 3.934 -17.131 1.00 42.32 C ATOM 207 CE1 HIS A 15 31.771 3.367 -19.222 1.00 43.34 C ATOM 208 NE2 HIS A 15 31.660 4.398 -18.404 1.00 52.22 N ATOM 0 H HIS A 15 33.471 2.492 -15.518 1.00 42.23 H new ATOM 0 HA HIS A 15 31.081 2.996 -14.537 1.00 74.24 H new ATOM 0 HB2 HIS A 15 31.805 0.673 -16.361 1.00 25.44 H new ATOM 0 HB3 HIS A 15 30.165 1.244 -16.126 1.00 25.44 H new ATOM 0 HD2 HIS A 15 31.302 4.536 -16.244 1.00 42.32 H new ATOM 0 HE1 HIS A 15 31.950 3.421 -20.286 1.00 43.34 H new ATOM 0 HE2 HIS A 15 31.729 5.379 -18.674 1.00 52.22 H new ATOM 216 N PRO A 16 30.492 1.544 -12.605 1.00 61.14 N ATOM 217 CA PRO A 16 29.988 0.704 -11.514 1.00 42.34 C ATOM 218 C PRO A 16 28.790 -0.138 -11.938 1.00 31.54 C ATOM 219 O PRO A 16 28.343 -0.071 -13.083 1.00 41.02 O ATOM 220 CB PRO A 16 29.577 1.720 -10.446 1.00 53.40 C ATOM 221 CG PRO A 16 29.285 2.969 -11.204 1.00 15.44 C ATOM 222 CD PRO A 16 30.228 2.974 -12.374 1.00 43.03 C ATOM 0 HA PRO A 16 30.734 -0.014 -11.174 1.00 42.34 H new ATOM 0 HB2 PRO A 16 28.702 1.380 -9.892 1.00 53.40 H new ATOM 0 HB3 PRO A 16 30.375 1.875 -9.719 1.00 53.40 H new ATOM 0 HG2 PRO A 16 28.248 2.989 -11.539 1.00 15.44 H new ATOM 0 HG3 PRO A 16 29.435 3.849 -10.578 1.00 15.44 H new ATOM 0 HD2 PRO A 16 29.781 3.447 -13.249 1.00 43.03 H new ATOM 0 HD3 PRO A 16 31.144 3.521 -12.150 1.00 43.03 H new ATOM 230 N THR A 17 28.272 -0.933 -11.006 1.00 1.13 N ATOM 231 CA THR A 17 27.126 -1.789 -11.282 1.00 70.43 C ATOM 232 C THR A 17 25.918 -1.379 -10.448 1.00 4.34 C ATOM 233 O THR A 17 26.006 -1.261 -9.225 1.00 2.02 O ATOM 234 CB THR A 17 27.450 -3.269 -11.002 1.00 71.15 C ATOM 235 OG1 THR A 17 28.671 -3.635 -11.654 1.00 61.04 O ATOM 236 CG2 THR A 17 26.323 -4.170 -11.483 1.00 74.25 C ATOM 0 H THR A 17 28.629 -1.001 -10.053 1.00 1.13 H new ATOM 0 HA THR A 17 26.891 -1.669 -12.340 1.00 70.43 H new ATOM 0 HB THR A 17 27.561 -3.396 -9.925 1.00 71.15 H new ATOM 0 HG1 THR A 17 28.871 -4.577 -11.470 1.00 61.04 H new ATOM 0 HG21 THR A 17 26.574 -5.210 -11.275 1.00 74.25 H new ATOM 0 HG22 THR A 17 25.401 -3.908 -10.964 1.00 74.25 H new ATOM 0 HG23 THR A 17 26.185 -4.038 -12.556 1.00 74.25 H new ATOM 244 N THR A 18 24.789 -1.162 -11.115 1.00 43.21 N ATOM 245 CA THR A 18 23.564 -0.764 -10.435 1.00 14.44 C ATOM 246 C THR A 18 22.583 -1.927 -10.343 1.00 31.01 C ATOM 247 O THR A 18 22.460 -2.722 -11.275 1.00 21.41 O ATOM 248 CB THR A 18 22.879 0.414 -11.153 1.00 42.45 C ATOM 249 OG1 THR A 18 23.864 1.349 -11.610 1.00 32.51 O ATOM 250 CG2 THR A 18 21.897 1.116 -10.228 1.00 3.53 C ATOM 0 H THR A 18 24.698 -1.255 -12.127 1.00 43.21 H new ATOM 0 HA THR A 18 23.849 -0.451 -9.430 1.00 14.44 H new ATOM 0 HB THR A 18 22.329 0.019 -12.007 1.00 42.45 H new ATOM 0 HG1 THR A 18 23.421 2.094 -12.067 1.00 32.51 H new ATOM 0 HG21 THR A 18 21.426 1.944 -10.758 1.00 3.53 H new ATOM 0 HG22 THR A 18 21.132 0.410 -9.906 1.00 3.53 H new ATOM 0 HG23 THR A 18 22.428 1.498 -9.356 1.00 3.53 H new ATOM 258 N ILE A 19 21.887 -2.020 -9.215 1.00 74.21 N ATOM 259 CA ILE A 19 20.915 -3.086 -9.003 1.00 62.25 C ATOM 260 C ILE A 19 19.644 -2.550 -8.353 1.00 61.53 C ATOM 261 O ILE A 19 19.701 -1.717 -7.448 1.00 44.14 O ATOM 262 CB ILE A 19 21.495 -4.209 -8.123 1.00 74.32 C ATOM 263 CG1 ILE A 19 21.974 -5.373 -8.993 1.00 74.22 C ATOM 264 CG2 ILE A 19 20.455 -4.684 -7.119 1.00 24.42 C ATOM 265 CD1 ILE A 19 22.315 -6.617 -8.204 1.00 35.54 C ATOM 0 H ILE A 19 21.978 -1.370 -8.434 1.00 74.21 H new ATOM 0 HA ILE A 19 20.673 -3.493 -9.985 1.00 62.25 H new ATOM 0 HB ILE A 19 22.350 -3.816 -7.573 1.00 74.32 H new ATOM 0 HG12 ILE A 19 21.199 -5.615 -9.720 1.00 74.22 H new ATOM 0 HG13 ILE A 19 22.852 -5.058 -9.556 1.00 74.22 H new ATOM 0 HG21 ILE A 19 20.879 -5.478 -6.504 1.00 24.42 H new ATOM 0 HG22 ILE A 19 20.157 -3.851 -6.482 1.00 24.42 H new ATOM 0 HG23 ILE A 19 19.583 -5.064 -7.651 1.00 24.42 H new ATOM 0 HD11 ILE A 19 22.647 -7.400 -8.885 1.00 35.54 H new ATOM 0 HD12 ILE A 19 23.112 -6.391 -7.495 1.00 35.54 H new ATOM 0 HD13 ILE A 19 21.433 -6.957 -7.662 1.00 35.54 H new ATOM 277 N CYS A 20 18.499 -3.036 -8.819 1.00 14.41 N ATOM 278 CA CYS A 20 17.212 -2.606 -8.282 1.00 20.41 C ATOM 279 C CYS A 20 16.436 -3.792 -7.718 1.00 13.24 C ATOM 280 O CYS A 20 16.103 -4.731 -8.441 1.00 4.10 O ATOM 281 CB CYS A 20 16.389 -1.912 -9.368 1.00 33.32 C ATOM 282 SG CYS A 20 16.294 -2.830 -10.923 1.00 21.54 S ATOM 0 H CYS A 20 18.435 -3.727 -9.566 1.00 14.41 H new ATOM 0 HA CYS A 20 17.400 -1.900 -7.473 1.00 20.41 H new ATOM 0 HB2 CYS A 20 15.379 -1.747 -8.994 1.00 33.32 H new ATOM 0 HB3 CYS A 20 16.820 -0.930 -9.564 1.00 33.32 H new ATOM 0 HG CYS A 20 16.146 -4.097 -10.671 1.00 21.54 H new ATOM 288 N VAL A 21 16.151 -3.742 -6.420 1.00 73.42 N ATOM 289 CA VAL A 21 15.414 -4.812 -5.758 1.00 30.20 C ATOM 290 C VAL A 21 14.435 -4.252 -4.732 1.00 61.12 C ATOM 291 O VAL A 21 14.685 -3.212 -4.123 1.00 22.13 O ATOM 292 CB VAL A 21 16.366 -5.799 -5.057 1.00 64.10 C ATOM 293 CG1 VAL A 21 17.105 -6.647 -6.081 1.00 61.21 C ATOM 294 CG2 VAL A 21 17.346 -5.051 -4.166 1.00 22.15 C ATOM 0 H VAL A 21 16.419 -2.972 -5.807 1.00 73.42 H new ATOM 0 HA VAL A 21 14.860 -5.341 -6.533 1.00 30.20 H new ATOM 0 HB VAL A 21 15.774 -6.465 -4.429 1.00 64.10 H new ATOM 0 HG11 VAL A 21 17.773 -7.338 -5.567 1.00 61.21 H new ATOM 0 HG12 VAL A 21 16.385 -7.211 -6.674 1.00 61.21 H new ATOM 0 HG13 VAL A 21 17.687 -6.000 -6.737 1.00 61.21 H new ATOM 0 HG21 VAL A 21 18.011 -5.764 -3.678 1.00 22.15 H new ATOM 0 HG22 VAL A 21 17.934 -4.361 -4.771 1.00 22.15 H new ATOM 0 HG23 VAL A 21 16.796 -4.492 -3.409 1.00 22.15 H new ATOM 304 N VAL A 22 13.319 -4.949 -4.546 1.00 33.05 N ATOM 305 CA VAL A 22 12.302 -4.523 -3.592 1.00 14.42 C ATOM 306 C VAL A 22 12.818 -4.614 -2.160 1.00 51.13 C ATOM 307 O VAL A 22 13.721 -5.396 -1.864 1.00 41.43 O ATOM 308 CB VAL A 22 11.022 -5.370 -3.719 1.00 70.25 C ATOM 309 CG1 VAL A 22 10.432 -5.240 -5.115 1.00 53.52 C ATOM 310 CG2 VAL A 22 11.313 -6.826 -3.389 1.00 32.32 C ATOM 0 H VAL A 22 13.096 -5.811 -5.043 1.00 33.05 H new ATOM 0 HA VAL A 22 12.066 -3.485 -3.825 1.00 14.42 H new ATOM 0 HB VAL A 22 10.288 -4.998 -3.004 1.00 70.25 H new ATOM 0 HG11 VAL A 22 9.528 -5.845 -5.186 1.00 53.52 H new ATOM 0 HG12 VAL A 22 10.186 -4.196 -5.310 1.00 53.52 H new ATOM 0 HG13 VAL A 22 11.158 -5.585 -5.851 1.00 53.52 H new ATOM 0 HG21 VAL A 22 10.398 -7.410 -3.484 1.00 32.32 H new ATOM 0 HG22 VAL A 22 12.063 -7.212 -4.079 1.00 32.32 H new ATOM 0 HG23 VAL A 22 11.687 -6.900 -2.368 1.00 32.32 H new ATOM 320 N MET A 23 12.238 -3.810 -1.275 1.00 52.45 N ATOM 321 CA MET A 23 12.638 -3.801 0.127 1.00 65.13 C ATOM 322 C MET A 23 12.573 -5.205 0.719 1.00 31.14 C ATOM 323 O MET A 23 13.427 -5.593 1.517 1.00 12.31 O ATOM 324 CB MET A 23 11.744 -2.854 0.929 1.00 2.10 C ATOM 325 CG MET A 23 12.121 -2.762 2.399 1.00 74.11 C ATOM 326 SD MET A 23 10.682 -2.623 3.477 1.00 71.11 S ATOM 327 CE MET A 23 10.001 -4.275 3.348 1.00 4.10 C ATOM 0 H MET A 23 11.489 -3.156 -1.504 1.00 52.45 H new ATOM 0 HA MET A 23 13.668 -3.449 0.183 1.00 65.13 H new ATOM 0 HB2 MET A 23 11.793 -1.859 0.487 1.00 2.10 H new ATOM 0 HB3 MET A 23 10.710 -3.188 0.848 1.00 2.10 H new ATOM 0 HG2 MET A 23 12.696 -3.645 2.679 1.00 74.11 H new ATOM 0 HG3 MET A 23 12.769 -1.899 2.551 1.00 74.11 H new ATOM 0 HE1 MET A 23 9.317 -4.452 4.178 1.00 4.10 H new ATOM 0 HE2 MET A 23 9.462 -4.374 2.406 1.00 4.10 H new ATOM 0 HE3 MET A 23 10.809 -5.005 3.382 1.00 4.10 H new ATOM 337 N ASP A 24 11.555 -5.962 0.325 1.00 50.11 N ATOM 338 CA ASP A 24 11.379 -7.323 0.817 1.00 72.42 C ATOM 339 C ASP A 24 12.614 -8.170 0.525 1.00 34.55 C ATOM 340 O ASP A 24 12.928 -9.102 1.266 1.00 22.22 O ATOM 341 CB ASP A 24 10.144 -7.963 0.179 1.00 23.05 C ATOM 342 CG ASP A 24 8.917 -7.858 1.063 1.00 54.13 C ATOM 343 OD1 ASP A 24 8.892 -6.970 1.941 1.00 61.44 O ATOM 344 OD2 ASP A 24 7.981 -8.664 0.877 1.00 53.24 O ATOM 0 H ASP A 24 10.839 -5.656 -0.334 1.00 50.11 H new ATOM 0 HA ASP A 24 11.238 -7.278 1.897 1.00 72.42 H new ATOM 0 HB2 ASP A 24 9.942 -7.481 -0.778 1.00 23.05 H new ATOM 0 HB3 ASP A 24 10.349 -9.013 -0.030 1.00 23.05 H new ATOM 349 N ARG A 25 13.309 -7.841 -0.558 1.00 73.03 N ATOM 350 CA ARG A 25 14.508 -8.573 -0.949 1.00 14.02 C ATOM 351 C ARG A 25 15.744 -7.685 -0.847 1.00 41.32 C ATOM 352 O ARG A 25 16.873 -8.155 -0.993 1.00 53.45 O ATOM 353 CB ARG A 25 14.364 -9.104 -2.376 1.00 62.42 C ATOM 354 CG ARG A 25 13.081 -9.885 -2.609 1.00 50.14 C ATOM 355 CD ARG A 25 13.105 -11.224 -1.890 1.00 30.31 C ATOM 356 NE ARG A 25 11.861 -11.966 -2.073 1.00 75.41 N ATOM 357 CZ ARG A 25 11.522 -12.564 -3.210 1.00 32.21 C ATOM 358 NH1 ARG A 25 12.331 -12.508 -4.259 1.00 13.20 N ATOM 359 NH2 ARG A 25 10.372 -13.221 -3.299 1.00 1.41 N ATOM 0 H ARG A 25 13.063 -7.072 -1.181 1.00 73.03 H new ATOM 0 HA ARG A 25 14.629 -9.414 -0.266 1.00 14.02 H new ATOM 0 HB2 ARG A 25 14.401 -8.266 -3.072 1.00 62.42 H new ATOM 0 HB3 ARG A 25 15.216 -9.745 -2.604 1.00 62.42 H new ATOM 0 HG2 ARG A 25 12.230 -9.300 -2.262 1.00 50.14 H new ATOM 0 HG3 ARG A 25 12.942 -10.047 -3.678 1.00 50.14 H new ATOM 0 HD2 ARG A 25 13.940 -11.819 -2.260 1.00 30.31 H new ATOM 0 HD3 ARG A 25 13.277 -11.061 -0.826 1.00 30.31 H new ATOM 0 HE ARG A 25 11.217 -12.029 -1.285 1.00 75.41 H new ATOM 0 HH11 ARG A 25 13.216 -12.005 -4.194 1.00 13.20 H new ATOM 0 HH12 ARG A 25 12.068 -12.968 -5.131 1.00 13.20 H new ATOM 0 HH21 ARG A 25 9.747 -13.267 -2.494 1.00 1.41 H new ATOM 0 HH22 ARG A 25 10.113 -13.680 -4.172 1.00 1.41 H new ATOM 373 N PHE A 26 15.523 -6.399 -0.596 1.00 43.52 N ATOM 374 CA PHE A 26 16.619 -5.444 -0.476 1.00 41.15 C ATOM 375 C PHE A 26 17.467 -5.741 0.757 1.00 12.21 C ATOM 376 O PHE A 26 18.697 -5.756 0.691 1.00 53.54 O ATOM 377 CB PHE A 26 16.074 -4.016 -0.403 1.00 60.10 C ATOM 378 CG PHE A 26 17.139 -2.962 -0.505 1.00 1.15 C ATOM 379 CD1 PHE A 26 18.198 -3.111 -1.385 1.00 42.04 C ATOM 380 CD2 PHE A 26 17.081 -1.822 0.280 1.00 11.44 C ATOM 381 CE1 PHE A 26 19.180 -2.143 -1.480 1.00 51.21 C ATOM 382 CE2 PHE A 26 18.060 -0.850 0.190 1.00 55.33 C ATOM 383 CZ PHE A 26 19.110 -1.010 -0.693 1.00 31.24 C ATOM 0 H PHE A 26 14.595 -5.994 -0.472 1.00 43.52 H new ATOM 0 HA PHE A 26 17.249 -5.540 -1.360 1.00 41.15 H new ATOM 0 HB2 PHE A 26 15.351 -3.870 -1.206 1.00 60.10 H new ATOM 0 HB3 PHE A 26 15.537 -3.888 0.537 1.00 60.10 H new ATOM 0 HD1 PHE A 26 18.257 -3.994 -2.004 1.00 42.04 H new ATOM 0 HD2 PHE A 26 16.261 -1.691 0.971 1.00 11.44 H new ATOM 0 HE1 PHE A 26 20.001 -2.272 -2.169 1.00 51.21 H new ATOM 0 HE2 PHE A 26 18.004 0.033 0.809 1.00 55.33 H new ATOM 0 HZ PHE A 26 19.875 -0.251 -0.768 1.00 31.24 H new ATOM 393 N LEU A 27 16.801 -5.976 1.882 1.00 31.31 N ATOM 394 CA LEU A 27 17.492 -6.273 3.132 1.00 12.54 C ATOM 395 C LEU A 27 18.361 -7.518 2.992 1.00 2.02 C ATOM 396 O LEU A 27 19.508 -7.538 3.437 1.00 63.51 O ATOM 397 CB LEU A 27 16.480 -6.467 4.263 1.00 23.42 C ATOM 398 CG LEU A 27 15.709 -7.788 4.254 1.00 51.44 C ATOM 399 CD1 LEU A 27 15.057 -8.035 5.605 1.00 1.22 C ATOM 400 CD2 LEU A 27 14.664 -7.787 3.148 1.00 54.53 C ATOM 0 H LEU A 27 15.784 -5.967 1.954 1.00 31.31 H new ATOM 0 HA LEU A 27 18.138 -5.428 3.371 1.00 12.54 H new ATOM 0 HB2 LEU A 27 17.007 -6.383 5.214 1.00 23.42 H new ATOM 0 HB3 LEU A 27 15.761 -5.649 4.224 1.00 23.42 H new ATOM 0 HG LEU A 27 16.414 -8.597 4.061 1.00 51.44 H new ATOM 0 HD11 LEU A 27 14.513 -8.979 5.579 1.00 1.22 H new ATOM 0 HD12 LEU A 27 15.825 -8.080 6.377 1.00 1.22 H new ATOM 0 HD13 LEU A 27 14.365 -7.223 5.829 1.00 1.22 H new ATOM 0 HD21 LEU A 27 14.125 -8.734 3.156 1.00 54.53 H new ATOM 0 HD22 LEU A 27 13.963 -6.969 3.311 1.00 54.53 H new ATOM 0 HD23 LEU A 27 15.155 -7.657 2.184 1.00 54.53 H new ATOM 412 N GLU A 28 17.807 -8.553 2.369 1.00 31.44 N ATOM 413 CA GLU A 28 18.533 -9.802 2.170 1.00 42.03 C ATOM 414 C GLU A 28 19.606 -9.642 1.096 1.00 14.20 C ATOM 415 O GLU A 28 20.739 -10.092 1.263 1.00 31.35 O ATOM 416 CB GLU A 28 17.568 -10.923 1.778 1.00 15.43 C ATOM 417 CG GLU A 28 16.772 -10.628 0.517 1.00 25.14 C ATOM 418 CD GLU A 28 15.691 -11.658 0.256 1.00 33.11 C ATOM 419 OE1 GLU A 28 14.695 -11.677 1.009 1.00 74.23 O ATOM 420 OE2 GLU A 28 15.841 -12.445 -0.702 1.00 73.01 O ATOM 0 H GLU A 28 16.859 -8.552 1.994 1.00 31.44 H new ATOM 0 HA GLU A 28 19.019 -10.063 3.110 1.00 42.03 H new ATOM 0 HB2 GLU A 28 18.133 -11.844 1.634 1.00 15.43 H new ATOM 0 HB3 GLU A 28 16.876 -11.100 2.601 1.00 15.43 H new ATOM 0 HG2 GLU A 28 16.316 -9.642 0.602 1.00 25.14 H new ATOM 0 HG3 GLU A 28 17.449 -10.593 -0.336 1.00 25.14 H new ATOM 427 N SER A 29 19.239 -8.997 -0.007 1.00 73.41 N ATOM 428 CA SER A 29 20.167 -8.781 -1.111 1.00 21.14 C ATOM 429 C SER A 29 21.407 -8.028 -0.638 1.00 12.01 C ATOM 430 O SER A 29 22.536 -8.445 -0.895 1.00 44.34 O ATOM 431 CB SER A 29 19.482 -8.003 -2.236 1.00 63.31 C ATOM 432 OG SER A 29 20.436 -7.385 -3.082 1.00 50.13 O ATOM 0 H SER A 29 18.306 -8.615 -0.160 1.00 73.41 H new ATOM 0 HA SER A 29 20.477 -9.755 -1.489 1.00 21.14 H new ATOM 0 HB2 SER A 29 18.856 -8.677 -2.820 1.00 63.31 H new ATOM 0 HB3 SER A 29 18.824 -7.246 -1.810 1.00 63.31 H new ATOM 0 HG SER A 29 19.973 -6.895 -3.794 1.00 50.13 H new ATOM 438 N PHE A 30 21.187 -6.916 0.056 1.00 42.25 N ATOM 439 CA PHE A 30 22.285 -6.103 0.564 1.00 5.52 C ATOM 440 C PHE A 30 23.121 -6.886 1.572 1.00 20.23 C ATOM 441 O PHE A 30 24.351 -6.874 1.518 1.00 33.41 O ATOM 442 CB PHE A 30 21.745 -4.827 1.214 1.00 22.25 C ATOM 443 CG PHE A 30 22.388 -3.572 0.698 1.00 61.15 C ATOM 444 CD1 PHE A 30 23.720 -3.567 0.315 1.00 73.15 C ATOM 445 CD2 PHE A 30 21.661 -2.397 0.594 1.00 33.40 C ATOM 446 CE1 PHE A 30 24.314 -2.413 -0.161 1.00 33.33 C ATOM 447 CE2 PHE A 30 22.249 -1.240 0.119 1.00 24.40 C ATOM 448 CZ PHE A 30 23.577 -1.249 -0.260 1.00 4.12 C ATOM 0 H PHE A 30 20.258 -6.558 0.279 1.00 42.25 H new ATOM 0 HA PHE A 30 22.923 -5.832 -0.278 1.00 5.52 H new ATOM 0 HB2 PHE A 30 20.670 -4.770 1.045 1.00 22.25 H new ATOM 0 HB3 PHE A 30 21.896 -4.886 2.292 1.00 22.25 H new ATOM 0 HD1 PHE A 30 24.300 -4.475 0.389 1.00 73.15 H new ATOM 0 HD2 PHE A 30 20.622 -2.385 0.888 1.00 33.40 H new ATOM 0 HE1 PHE A 30 25.353 -2.422 -0.455 1.00 33.33 H new ATOM 0 HE2 PHE A 30 21.671 -0.331 0.044 1.00 24.40 H new ATOM 0 HZ PHE A 30 24.039 -0.347 -0.633 1.00 4.12 H new ATOM 458 N SER A 31 22.444 -7.566 2.492 1.00 74.11 N ATOM 459 CA SER A 31 23.122 -8.352 3.516 1.00 63.14 C ATOM 460 C SER A 31 24.095 -9.343 2.884 1.00 42.05 C ATOM 461 O SER A 31 25.235 -9.477 3.326 1.00 5.21 O ATOM 462 CB SER A 31 22.101 -9.100 4.375 1.00 62.12 C ATOM 463 OG SER A 31 22.744 -9.987 5.274 1.00 15.35 O ATOM 0 H SER A 31 21.426 -7.588 2.549 1.00 74.11 H new ATOM 0 HA SER A 31 23.687 -7.668 4.149 1.00 63.14 H new ATOM 0 HB2 SER A 31 21.498 -8.385 4.934 1.00 62.12 H new ATOM 0 HB3 SER A 31 21.420 -9.658 3.733 1.00 62.12 H new ATOM 0 HG SER A 31 22.070 -10.452 5.813 1.00 15.35 H new ATOM 469 N GLU A 32 23.635 -10.035 1.846 1.00 53.10 N ATOM 470 CA GLU A 32 24.464 -11.014 1.153 1.00 33.33 C ATOM 471 C GLU A 32 25.537 -10.324 0.317 1.00 62.22 C ATOM 472 O GLU A 32 26.679 -10.782 0.251 1.00 52.12 O ATOM 473 CB GLU A 32 23.599 -11.906 0.259 1.00 3.31 C ATOM 474 CG GLU A 32 24.341 -13.108 -0.301 1.00 32.15 C ATOM 475 CD GLU A 32 24.371 -14.276 0.666 1.00 63.32 C ATOM 476 OE1 GLU A 32 23.409 -15.072 0.666 1.00 21.10 O ATOM 477 OE2 GLU A 32 25.358 -14.394 1.422 1.00 63.41 O ATOM 0 H GLU A 32 22.693 -9.936 1.467 1.00 53.10 H new ATOM 0 HA GLU A 32 24.956 -11.633 1.904 1.00 33.33 H new ATOM 0 HB2 GLU A 32 22.739 -12.255 0.831 1.00 3.31 H new ATOM 0 HB3 GLU A 32 23.212 -11.311 -0.568 1.00 3.31 H new ATOM 0 HG2 GLU A 32 23.867 -13.423 -1.231 1.00 32.15 H new ATOM 0 HG3 GLU A 32 25.363 -12.818 -0.547 1.00 32.15 H new ATOM 484 N LEU A 33 25.163 -9.221 -0.321 1.00 51.23 N ATOM 485 CA LEU A 33 26.093 -8.466 -1.155 1.00 35.32 C ATOM 486 C LEU A 33 27.324 -8.050 -0.357 1.00 65.34 C ATOM 487 O LEU A 33 28.438 -8.031 -0.882 1.00 4.24 O ATOM 488 CB LEU A 33 25.402 -7.229 -1.731 1.00 44.14 C ATOM 489 CG LEU A 33 26.267 -6.328 -2.614 1.00 3.14 C ATOM 490 CD1 LEU A 33 27.056 -5.346 -1.762 1.00 44.41 C ATOM 491 CD2 LEU A 33 27.204 -7.164 -3.473 1.00 42.12 C ATOM 0 H LEU A 33 24.222 -8.829 -0.277 1.00 51.23 H new ATOM 0 HA LEU A 33 26.414 -9.110 -1.974 1.00 35.32 H new ATOM 0 HB2 LEU A 33 24.541 -7.556 -2.314 1.00 44.14 H new ATOM 0 HB3 LEU A 33 25.019 -6.633 -0.903 1.00 44.14 H new ATOM 0 HG LEU A 33 25.611 -5.760 -3.274 1.00 3.14 H new ATOM 0 HD11 LEU A 33 27.666 -4.713 -2.407 1.00 44.41 H new ATOM 0 HD12 LEU A 33 26.367 -4.725 -1.190 1.00 44.41 H new ATOM 0 HD13 LEU A 33 27.702 -5.896 -1.077 1.00 44.41 H new ATOM 0 HD21 LEU A 33 27.812 -6.506 -4.095 1.00 42.12 H new ATOM 0 HD22 LEU A 33 27.854 -7.758 -2.830 1.00 42.12 H new ATOM 0 HD23 LEU A 33 26.619 -7.827 -4.110 1.00 42.12 H new ATOM 503 N TYR A 34 27.117 -7.721 0.913 1.00 40.55 N ATOM 504 CA TYR A 34 28.211 -7.305 1.783 1.00 54.23 C ATOM 505 C TYR A 34 29.180 -8.457 2.028 1.00 70.23 C ATOM 506 O TYR A 34 30.379 -8.246 2.210 1.00 62.31 O ATOM 507 CB TYR A 34 27.663 -6.792 3.116 1.00 71.23 C ATOM 508 CG TYR A 34 28.727 -6.597 4.172 1.00 34.05 C ATOM 509 CD1 TYR A 34 29.433 -5.404 4.262 1.00 24.14 C ATOM 510 CD2 TYR A 34 29.025 -7.605 5.080 1.00 24.42 C ATOM 511 CE1 TYR A 34 30.407 -5.221 5.226 1.00 74.32 C ATOM 512 CE2 TYR A 34 29.996 -7.431 6.048 1.00 52.03 C ATOM 513 CZ TYR A 34 30.684 -6.237 6.116 1.00 32.44 C ATOM 514 OH TYR A 34 31.652 -6.060 7.078 1.00 62.32 O ATOM 0 H TYR A 34 26.202 -7.734 1.363 1.00 40.55 H new ATOM 0 HA TYR A 34 28.751 -6.499 1.286 1.00 54.23 H new ATOM 0 HB2 TYR A 34 27.151 -5.844 2.948 1.00 71.23 H new ATOM 0 HB3 TYR A 34 26.918 -7.495 3.488 1.00 71.23 H new ATOM 0 HD1 TYR A 34 29.217 -4.606 3.567 1.00 24.14 H new ATOM 0 HD2 TYR A 34 28.489 -8.541 5.029 1.00 24.42 H new ATOM 0 HE1 TYR A 34 30.948 -4.288 5.282 1.00 74.32 H new ATOM 0 HE2 TYR A 34 30.215 -8.225 6.747 1.00 52.03 H new ATOM 0 HH TYR A 34 31.722 -6.871 7.624 1.00 62.32 H new ATOM 524 N ASP A 35 28.651 -9.676 2.030 1.00 42.20 N ATOM 525 CA ASP A 35 29.468 -10.863 2.251 1.00 63.44 C ATOM 526 C ASP A 35 30.287 -11.198 1.008 1.00 63.11 C ATOM 527 O ASP A 35 31.400 -11.715 1.107 1.00 23.30 O ATOM 528 CB ASP A 35 28.585 -12.053 2.630 1.00 1.12 C ATOM 529 CG ASP A 35 28.941 -12.629 3.987 1.00 64.15 C ATOM 530 OD1 ASP A 35 28.599 -11.997 5.008 1.00 43.04 O ATOM 531 OD2 ASP A 35 29.563 -13.712 4.027 1.00 40.30 O ATOM 0 H ASP A 35 27.660 -9.868 1.881 1.00 42.20 H new ATOM 0 HA ASP A 35 30.154 -10.654 3.072 1.00 63.44 H new ATOM 0 HB2 ASP A 35 27.541 -11.740 2.634 1.00 1.12 H new ATOM 0 HB3 ASP A 35 28.682 -12.830 1.872 1.00 1.12 H new ATOM 536 N ILE A 36 29.728 -10.901 -0.160 1.00 45.24 N ATOM 537 CA ILE A 36 30.407 -11.170 -1.422 1.00 22.32 C ATOM 538 C ILE A 36 31.221 -9.963 -1.877 1.00 74.52 C ATOM 539 O ILE A 36 32.111 -10.085 -2.719 1.00 5.43 O ATOM 540 CB ILE A 36 29.407 -11.549 -2.530 1.00 14.51 C ATOM 541 CG1 ILE A 36 30.130 -11.706 -3.869 1.00 24.44 C ATOM 542 CG2 ILE A 36 28.311 -10.499 -2.635 1.00 14.43 C ATOM 543 CD1 ILE A 36 30.065 -10.472 -4.740 1.00 4.40 C ATOM 0 H ILE A 36 28.807 -10.474 -0.259 1.00 45.24 H new ATOM 0 HA ILE A 36 31.077 -12.011 -1.246 1.00 22.32 H new ATOM 0 HB ILE A 36 28.947 -12.503 -2.273 1.00 14.51 H new ATOM 0 HG12 ILE A 36 31.175 -11.954 -3.681 1.00 24.44 H new ATOM 0 HG13 ILE A 36 29.696 -12.546 -4.411 1.00 24.44 H new ATOM 0 HG21 ILE A 36 27.612 -10.780 -3.422 1.00 14.43 H new ATOM 0 HG22 ILE A 36 27.780 -10.431 -1.685 1.00 14.43 H new ATOM 0 HG23 ILE A 36 28.755 -9.532 -2.873 1.00 14.43 H new ATOM 0 HD11 ILE A 36 30.599 -10.656 -5.672 1.00 4.40 H new ATOM 0 HD12 ILE A 36 29.024 -10.235 -4.958 1.00 4.40 H new ATOM 0 HD13 ILE A 36 30.526 -9.633 -4.218 1.00 4.40 H new ATOM 555 N ILE A 37 30.909 -8.801 -1.315 1.00 3.34 N ATOM 556 CA ILE A 37 31.613 -7.572 -1.661 1.00 24.32 C ATOM 557 C ILE A 37 33.119 -7.731 -1.476 1.00 72.04 C ATOM 558 O ILE A 37 33.908 -7.005 -2.080 1.00 45.40 O ATOM 559 CB ILE A 37 31.126 -6.385 -0.810 1.00 13.12 C ATOM 560 CG1 ILE A 37 31.532 -5.061 -1.461 1.00 61.53 C ATOM 561 CG2 ILE A 37 31.685 -6.480 0.602 1.00 74.20 C ATOM 562 CD1 ILE A 37 30.769 -4.753 -2.730 1.00 73.12 C ATOM 0 H ILE A 37 30.173 -8.684 -0.618 1.00 3.34 H new ATOM 0 HA ILE A 37 31.397 -7.369 -2.710 1.00 24.32 H new ATOM 0 HB ILE A 37 30.038 -6.421 -0.752 1.00 13.12 H new ATOM 0 HG12 ILE A 37 31.376 -4.252 -0.748 1.00 61.53 H new ATOM 0 HG13 ILE A 37 32.598 -5.088 -1.685 1.00 61.53 H new ATOM 0 HG21 ILE A 37 31.332 -5.634 1.191 1.00 74.20 H new ATOM 0 HG22 ILE A 37 31.350 -7.409 1.064 1.00 74.20 H new ATOM 0 HG23 ILE A 37 32.774 -6.466 0.564 1.00 74.20 H new ATOM 0 HD11 ILE A 37 31.109 -3.800 -3.137 1.00 73.12 H new ATOM 0 HD12 ILE A 37 30.944 -5.543 -3.461 1.00 73.12 H new ATOM 0 HD13 ILE A 37 29.703 -4.694 -2.509 1.00 73.12 H new ATOM 574 N ASP A 38 33.509 -8.687 -0.640 1.00 43.52 N ATOM 575 CA ASP A 38 34.921 -8.943 -0.378 1.00 74.41 C ATOM 576 C ASP A 38 35.646 -9.350 -1.657 1.00 75.42 C ATOM 577 O ASP A 38 36.865 -9.221 -1.758 1.00 40.01 O ATOM 578 CB ASP A 38 35.074 -10.037 0.680 1.00 70.32 C ATOM 579 CG ASP A 38 35.238 -9.472 2.077 1.00 32.41 C ATOM 580 OD1 ASP A 38 34.988 -8.263 2.261 1.00 0.44 O ATOM 581 OD2 ASP A 38 35.615 -10.240 2.987 1.00 70.35 O ATOM 0 H ASP A 38 32.868 -9.297 -0.132 1.00 43.52 H new ATOM 0 HA ASP A 38 35.369 -8.022 -0.005 1.00 74.41 H new ATOM 0 HB2 ASP A 38 34.200 -10.688 0.655 1.00 70.32 H new ATOM 0 HB3 ASP A 38 35.939 -10.655 0.437 1.00 70.32 H new ATOM 586 N GLU A 39 34.886 -9.843 -2.631 1.00 21.44 N ATOM 587 CA GLU A 39 35.458 -10.271 -3.902 1.00 54.02 C ATOM 588 C GLU A 39 35.595 -9.092 -4.861 1.00 1.31 C ATOM 589 O GLU A 39 34.844 -8.121 -4.779 1.00 74.12 O ATOM 590 CB GLU A 39 34.589 -11.360 -4.537 1.00 4.44 C ATOM 591 CG GLU A 39 34.939 -12.764 -4.073 1.00 15.22 C ATOM 592 CD GLU A 39 34.881 -12.911 -2.565 1.00 22.23 C ATOM 593 OE1 GLU A 39 33.765 -12.865 -2.007 1.00 12.42 O ATOM 594 OE2 GLU A 39 35.952 -13.073 -1.943 1.00 13.13 O ATOM 0 H GLU A 39 33.874 -9.956 -2.564 1.00 21.44 H new ATOM 0 HA GLU A 39 36.451 -10.676 -3.706 1.00 54.02 H new ATOM 0 HB2 GLU A 39 33.543 -11.160 -4.305 1.00 4.44 H new ATOM 0 HB3 GLU A 39 34.691 -11.308 -5.621 1.00 4.44 H new ATOM 0 HG2 GLU A 39 34.252 -13.476 -4.530 1.00 15.22 H new ATOM 0 HG3 GLU A 39 35.940 -13.019 -4.421 1.00 15.22 H new ATOM 601 N ASN A 40 36.561 -9.184 -5.769 1.00 24.33 N ATOM 602 CA ASN A 40 36.799 -8.125 -6.743 1.00 30.13 C ATOM 603 C ASN A 40 36.662 -8.655 -8.167 1.00 11.11 C ATOM 604 O ASN A 40 36.690 -7.889 -9.130 1.00 60.24 O ATOM 605 CB ASN A 40 38.191 -7.523 -6.543 1.00 1.44 C ATOM 606 CG ASN A 40 38.510 -6.450 -7.567 1.00 34.43 C ATOM 607 OD1 ASN A 40 37.640 -5.452 -7.668 1.00 2.23 O flip ATOM 608 ND2 ASN A 40 39.526 -6.519 -8.258 1.00 75.44 N flip ATOM 0 H ASN A 40 37.192 -9.981 -5.851 1.00 24.33 H new ATOM 0 HA ASN A 40 36.049 -7.349 -6.589 1.00 30.13 H new ATOM 0 HB2 ASN A 40 38.259 -7.098 -5.542 1.00 1.44 H new ATOM 0 HB3 ASN A 40 38.938 -8.314 -6.605 1.00 1.44 H new ATOM 0 HD21 ASN A 40 40.167 -7.305 -8.146 1.00 75.44 H new ATOM 0 HD22 ASN A 40 39.728 -5.790 -8.943 1.00 75.44 H new ATOM 615 N ASP A 41 36.513 -9.969 -8.291 1.00 71.14 N ATOM 616 CA ASP A 41 36.369 -10.602 -9.597 1.00 65.03 C ATOM 617 C ASP A 41 35.086 -10.145 -10.284 1.00 63.45 C ATOM 618 O ASP A 41 34.025 -10.082 -9.663 1.00 52.43 O ATOM 619 CB ASP A 41 36.371 -12.125 -9.453 1.00 4.42 C ATOM 620 CG ASP A 41 37.761 -12.682 -9.212 1.00 13.42 C ATOM 621 OD1 ASP A 41 38.739 -12.059 -9.677 1.00 33.13 O ATOM 622 OD2 ASP A 41 37.870 -13.739 -8.558 1.00 20.53 O ATOM 0 H ASP A 41 36.489 -10.617 -7.503 1.00 71.14 H new ATOM 0 HA ASP A 41 37.216 -10.302 -10.214 1.00 65.03 H new ATOM 0 HB2 ASP A 41 35.720 -12.410 -8.626 1.00 4.42 H new ATOM 0 HB3 ASP A 41 35.955 -12.573 -10.355 1.00 4.42 H new ATOM 627 N THR A 42 35.191 -9.827 -11.571 1.00 71.21 N ATOM 628 CA THR A 42 34.040 -9.374 -12.342 1.00 62.34 C ATOM 629 C THR A 42 33.040 -10.505 -12.553 1.00 33.03 C ATOM 630 O THR A 42 31.834 -10.272 -12.639 1.00 11.24 O ATOM 631 CB THR A 42 34.467 -8.820 -13.715 1.00 12.34 C ATOM 632 OG1 THR A 42 35.043 -9.864 -14.508 1.00 15.24 O ATOM 633 CG2 THR A 42 35.470 -7.687 -13.553 1.00 34.34 C ATOM 0 H THR A 42 36.061 -9.875 -12.101 1.00 71.21 H new ATOM 0 HA THR A 42 33.568 -8.577 -11.767 1.00 62.34 H new ATOM 0 HB THR A 42 33.581 -8.431 -14.216 1.00 12.34 H new ATOM 0 HG1 THR A 42 35.310 -9.504 -15.379 1.00 15.24 H new ATOM 0 HG21 THR A 42 35.757 -7.312 -14.535 1.00 34.34 H new ATOM 0 HG22 THR A 42 35.018 -6.881 -12.975 1.00 34.34 H new ATOM 0 HG23 THR A 42 36.354 -8.055 -13.033 1.00 34.34 H new ATOM 641 N ASP A 43 33.547 -11.730 -12.634 1.00 61.01 N ATOM 642 CA ASP A 43 32.697 -12.898 -12.833 1.00 30.14 C ATOM 643 C ASP A 43 31.814 -13.141 -11.613 1.00 21.34 C ATOM 644 O ASP A 43 30.621 -13.414 -11.741 1.00 75.13 O ATOM 645 CB ASP A 43 33.551 -14.135 -13.114 1.00 62.23 C ATOM 646 CG ASP A 43 34.723 -13.834 -14.027 1.00 44.32 C ATOM 647 OD1 ASP A 43 34.550 -13.037 -14.973 1.00 54.31 O ATOM 648 OD2 ASP A 43 35.815 -14.394 -13.795 1.00 72.13 O ATOM 0 H ASP A 43 34.543 -11.940 -12.565 1.00 61.01 H new ATOM 0 HA ASP A 43 32.054 -12.707 -13.692 1.00 30.14 H new ATOM 0 HB2 ASP A 43 33.922 -14.538 -12.172 1.00 62.23 H new ATOM 0 HB3 ASP A 43 32.929 -14.907 -13.568 1.00 62.23 H new ATOM 653 N VAL A 44 32.409 -13.042 -10.428 1.00 44.42 N ATOM 654 CA VAL A 44 31.678 -13.251 -9.185 1.00 15.43 C ATOM 655 C VAL A 44 30.675 -12.128 -8.942 1.00 32.22 C ATOM 656 O VAL A 44 29.553 -12.370 -8.498 1.00 73.14 O ATOM 657 CB VAL A 44 32.633 -13.341 -7.980 1.00 14.44 C ATOM 658 CG1 VAL A 44 31.846 -13.431 -6.681 1.00 25.24 C ATOM 659 CG2 VAL A 44 33.569 -14.530 -8.130 1.00 32.10 C ATOM 0 H VAL A 44 33.396 -12.818 -10.304 1.00 44.42 H new ATOM 0 HA VAL A 44 31.144 -14.196 -9.287 1.00 15.43 H new ATOM 0 HB VAL A 44 33.237 -12.434 -7.948 1.00 14.44 H new ATOM 0 HG11 VAL A 44 32.537 -13.494 -5.840 1.00 25.24 H new ATOM 0 HG12 VAL A 44 31.222 -12.544 -6.572 1.00 25.24 H new ATOM 0 HG13 VAL A 44 31.215 -14.319 -6.699 1.00 25.24 H new ATOM 0 HG21 VAL A 44 34.237 -14.578 -7.270 1.00 32.10 H new ATOM 0 HG22 VAL A 44 32.984 -15.448 -8.188 1.00 32.10 H new ATOM 0 HG23 VAL A 44 34.158 -14.417 -9.040 1.00 32.10 H new ATOM 669 N MET A 45 31.087 -10.900 -9.236 1.00 45.31 N ATOM 670 CA MET A 45 30.224 -9.739 -9.051 1.00 60.12 C ATOM 671 C MET A 45 29.095 -9.733 -10.077 1.00 0.51 C ATOM 672 O MET A 45 27.940 -9.476 -9.740 1.00 34.01 O ATOM 673 CB MET A 45 31.038 -8.448 -9.163 1.00 33.32 C ATOM 674 CG MET A 45 31.638 -7.992 -7.843 1.00 33.23 C ATOM 675 SD MET A 45 31.892 -6.208 -7.775 1.00 34.42 S ATOM 676 CE MET A 45 30.200 -5.623 -7.829 1.00 73.23 C ATOM 0 H MET A 45 32.013 -10.683 -9.603 1.00 45.31 H new ATOM 0 HA MET A 45 29.786 -9.798 -8.055 1.00 60.12 H new ATOM 0 HB2 MET A 45 31.840 -8.596 -9.886 1.00 33.32 H new ATOM 0 HB3 MET A 45 30.398 -7.657 -9.554 1.00 33.32 H new ATOM 0 HG2 MET A 45 30.981 -8.293 -7.027 1.00 33.23 H new ATOM 0 HG3 MET A 45 32.591 -8.497 -7.688 1.00 33.23 H new ATOM 0 HE1 MET A 45 30.127 -4.671 -7.303 1.00 73.23 H new ATOM 0 HE2 MET A 45 29.895 -5.488 -8.867 1.00 73.23 H new ATOM 0 HE3 MET A 45 29.547 -6.353 -7.350 1.00 73.23 H new ATOM 686 N MET A 46 29.438 -10.016 -11.329 1.00 53.13 N ATOM 687 CA MET A 46 28.452 -10.043 -12.403 1.00 73.25 C ATOM 688 C MET A 46 27.476 -11.201 -12.217 1.00 25.11 C ATOM 689 O MET A 46 26.284 -11.071 -12.494 1.00 31.32 O ATOM 690 CB MET A 46 29.148 -10.161 -13.761 1.00 12.13 C ATOM 691 CG MET A 46 29.631 -11.567 -14.076 1.00 31.20 C ATOM 692 SD MET A 46 30.419 -11.685 -15.694 1.00 13.24 S ATOM 693 CE MET A 46 29.019 -11.396 -16.773 1.00 62.35 C ATOM 0 H MET A 46 30.390 -10.230 -11.625 1.00 53.13 H new ATOM 0 HA MET A 46 27.891 -9.109 -12.370 1.00 73.25 H new ATOM 0 HB2 MET A 46 28.460 -9.839 -14.542 1.00 12.13 H new ATOM 0 HB3 MET A 46 29.998 -9.480 -13.785 1.00 12.13 H new ATOM 0 HG2 MET A 46 30.337 -11.885 -13.309 1.00 31.20 H new ATOM 0 HG3 MET A 46 28.786 -12.255 -14.037 1.00 31.20 H new ATOM 0 HE1 MET A 46 29.256 -11.745 -17.778 1.00 62.35 H new ATOM 0 HE2 MET A 46 28.151 -11.938 -16.396 1.00 62.35 H new ATOM 0 HE3 MET A 46 28.796 -10.329 -16.802 1.00 62.35 H new ATOM 703 N ASP A 47 27.991 -12.332 -11.747 1.00 30.02 N ATOM 704 CA ASP A 47 27.165 -13.513 -11.523 1.00 10.23 C ATOM 705 C ASP A 47 26.211 -13.294 -10.352 1.00 60.54 C ATOM 706 O ASP A 47 25.043 -13.678 -10.411 1.00 34.25 O ATOM 707 CB ASP A 47 28.046 -14.735 -11.258 1.00 12.23 C ATOM 708 CG ASP A 47 28.556 -15.369 -12.537 1.00 2.13 C ATOM 709 OD1 ASP A 47 28.850 -14.621 -13.493 1.00 31.53 O ATOM 710 OD2 ASP A 47 28.661 -16.613 -12.582 1.00 1.32 O ATOM 0 H ASP A 47 28.976 -12.456 -11.514 1.00 30.02 H new ATOM 0 HA ASP A 47 26.574 -13.689 -12.422 1.00 10.23 H new ATOM 0 HB2 ASP A 47 28.893 -14.441 -10.639 1.00 12.23 H new ATOM 0 HB3 ASP A 47 27.478 -15.473 -10.691 1.00 12.23 H new ATOM 715 N PHE A 48 26.717 -12.677 -9.290 1.00 43.23 N ATOM 716 CA PHE A 48 25.911 -12.409 -8.105 1.00 70.21 C ATOM 717 C PHE A 48 24.896 -11.303 -8.376 1.00 51.33 C ATOM 718 O PHE A 48 23.723 -11.421 -8.020 1.00 2.35 O ATOM 719 CB PHE A 48 26.808 -12.017 -6.930 1.00 4.44 C ATOM 720 CG PHE A 48 26.046 -11.536 -5.728 1.00 43.51 C ATOM 721 CD1 PHE A 48 25.674 -10.206 -5.614 1.00 52.13 C ATOM 722 CD2 PHE A 48 25.703 -12.413 -4.712 1.00 51.02 C ATOM 723 CE1 PHE A 48 24.972 -9.760 -4.510 1.00 40.10 C ATOM 724 CE2 PHE A 48 25.001 -11.973 -3.606 1.00 0.11 C ATOM 725 CZ PHE A 48 24.636 -10.645 -3.504 1.00 42.41 C ATOM 0 H PHE A 48 27.682 -12.353 -9.226 1.00 43.23 H new ATOM 0 HA PHE A 48 25.369 -13.320 -7.851 1.00 70.21 H new ATOM 0 HB2 PHE A 48 27.416 -12.876 -6.645 1.00 4.44 H new ATOM 0 HB3 PHE A 48 27.494 -11.234 -7.253 1.00 4.44 H new ATOM 0 HD1 PHE A 48 25.936 -9.510 -6.397 1.00 52.13 H new ATOM 0 HD2 PHE A 48 25.987 -13.452 -4.785 1.00 51.02 H new ATOM 0 HE1 PHE A 48 24.687 -8.721 -4.434 1.00 40.10 H new ATOM 0 HE2 PHE A 48 24.738 -12.667 -2.822 1.00 0.11 H new ATOM 0 HZ PHE A 48 24.089 -10.299 -2.639 1.00 42.41 H new ATOM 735 N ILE A 49 25.356 -10.228 -9.009 1.00 33.42 N ATOM 736 CA ILE A 49 24.489 -9.101 -9.328 1.00 75.23 C ATOM 737 C ILE A 49 23.360 -9.523 -10.263 1.00 31.53 C ATOM 738 O ILE A 49 22.191 -9.227 -10.015 1.00 22.23 O ATOM 739 CB ILE A 49 25.278 -7.951 -9.982 1.00 33.44 C ATOM 740 CG1 ILE A 49 25.725 -6.943 -8.921 1.00 33.21 C ATOM 741 CG2 ILE A 49 24.434 -7.268 -11.047 1.00 73.22 C ATOM 742 CD1 ILE A 49 26.807 -7.470 -8.005 1.00 44.32 C ATOM 0 H ILE A 49 26.324 -10.115 -9.311 1.00 33.42 H new ATOM 0 HA ILE A 49 24.067 -8.752 -8.386 1.00 75.23 H new ATOM 0 HB ILE A 49 26.166 -8.365 -10.460 1.00 33.44 H new ATOM 0 HG12 ILE A 49 26.087 -6.042 -9.417 1.00 33.21 H new ATOM 0 HG13 ILE A 49 24.862 -6.652 -8.321 1.00 33.21 H new ATOM 0 HG21 ILE A 49 25.005 -6.458 -11.500 1.00 73.22 H new ATOM 0 HG22 ILE A 49 24.161 -7.992 -11.814 1.00 73.22 H new ATOM 0 HG23 ILE A 49 23.530 -6.864 -10.591 1.00 73.22 H new ATOM 0 HD11 ILE A 49 27.074 -6.703 -7.279 1.00 44.32 H new ATOM 0 HD12 ILE A 49 26.442 -8.354 -7.481 1.00 44.32 H new ATOM 0 HD13 ILE A 49 27.685 -7.734 -8.594 1.00 44.32 H new ATOM 754 N SER A 50 23.718 -10.219 -11.337 1.00 53.15 N ATOM 755 CA SER A 50 22.735 -10.681 -12.311 1.00 2.01 C ATOM 756 C SER A 50 21.765 -11.673 -11.675 1.00 45.43 C ATOM 757 O SER A 50 20.571 -11.668 -11.974 1.00 2.10 O ATOM 758 CB SER A 50 23.436 -11.330 -13.506 1.00 22.33 C ATOM 759 OG SER A 50 22.607 -11.314 -14.654 1.00 75.14 O ATOM 0 H SER A 50 24.681 -10.476 -11.555 1.00 53.15 H new ATOM 0 HA SER A 50 22.168 -9.817 -12.657 1.00 2.01 H new ATOM 0 HB2 SER A 50 24.365 -10.801 -13.717 1.00 22.33 H new ATOM 0 HB3 SER A 50 23.703 -12.358 -13.261 1.00 22.33 H new ATOM 0 HG SER A 50 23.079 -11.733 -15.404 1.00 75.14 H new ATOM 765 N ARG A 51 22.289 -12.522 -10.797 1.00 54.11 N ATOM 766 CA ARG A 51 21.471 -13.521 -10.120 1.00 13.34 C ATOM 767 C ARG A 51 20.578 -12.869 -9.067 1.00 60.33 C ATOM 768 O ARG A 51 19.491 -13.363 -8.769 1.00 35.33 O ATOM 769 CB ARG A 51 22.359 -14.580 -9.465 1.00 44.11 C ATOM 770 CG ARG A 51 22.844 -15.649 -10.430 1.00 63.23 C ATOM 771 CD ARG A 51 21.766 -16.688 -10.699 1.00 3.33 C ATOM 772 NE ARG A 51 21.743 -17.729 -9.675 1.00 71.33 N ATOM 773 CZ ARG A 51 20.881 -18.740 -9.675 1.00 62.32 C ATOM 774 NH1 ARG A 51 19.978 -18.846 -10.640 1.00 14.53 N ATOM 775 NH2 ARG A 51 20.923 -19.649 -8.709 1.00 52.02 N ATOM 0 H ARG A 51 23.275 -12.538 -10.538 1.00 54.11 H new ATOM 0 HA ARG A 51 20.836 -14.000 -10.865 1.00 13.34 H new ATOM 0 HB2 ARG A 51 23.222 -14.090 -9.015 1.00 44.11 H new ATOM 0 HB3 ARG A 51 21.805 -15.057 -8.656 1.00 44.11 H new ATOM 0 HG2 ARG A 51 23.145 -15.184 -11.369 1.00 63.23 H new ATOM 0 HG3 ARG A 51 23.727 -16.138 -10.019 1.00 63.23 H new ATOM 0 HD2 ARG A 51 20.793 -16.199 -10.741 1.00 3.33 H new ATOM 0 HD3 ARG A 51 21.936 -17.143 -11.675 1.00 3.33 H new ATOM 0 HE ARG A 51 22.426 -17.677 -8.919 1.00 71.33 H new ATOM 0 HH11 ARG A 51 19.944 -18.150 -11.385 1.00 14.53 H new ATOM 0 HH12 ARG A 51 19.318 -19.623 -10.637 1.00 14.53 H new ATOM 0 HH21 ARG A 51 21.617 -19.572 -7.966 1.00 52.02 H new ATOM 0 HH22 ARG A 51 20.261 -20.425 -8.710 1.00 52.02 H new ATOM 789 N PHE A 52 21.045 -11.758 -8.508 1.00 64.12 N ATOM 790 CA PHE A 52 20.291 -11.040 -7.488 1.00 54.30 C ATOM 791 C PHE A 52 19.439 -9.940 -8.115 1.00 43.42 C ATOM 792 O PHE A 52 18.592 -9.342 -7.452 1.00 40.24 O ATOM 793 CB PHE A 52 21.240 -10.437 -6.451 1.00 2.41 C ATOM 794 CG PHE A 52 21.514 -11.347 -5.288 1.00 44.01 C ATOM 795 CD1 PHE A 52 21.855 -12.674 -5.496 1.00 34.14 C ATOM 796 CD2 PHE A 52 21.433 -10.876 -3.988 1.00 15.32 C ATOM 797 CE1 PHE A 52 22.107 -13.514 -4.427 1.00 74.04 C ATOM 798 CE2 PHE A 52 21.684 -11.711 -2.916 1.00 11.15 C ATOM 799 CZ PHE A 52 22.022 -13.032 -3.136 1.00 3.42 C ATOM 0 H PHE A 52 21.943 -11.335 -8.744 1.00 64.12 H new ATOM 0 HA PHE A 52 19.629 -11.751 -6.994 1.00 54.30 H new ATOM 0 HB2 PHE A 52 22.183 -10.186 -6.936 1.00 2.41 H new ATOM 0 HB3 PHE A 52 20.815 -9.504 -6.080 1.00 2.41 H new ATOM 0 HD1 PHE A 52 21.925 -13.056 -6.504 1.00 34.14 H new ATOM 0 HD2 PHE A 52 21.170 -9.844 -3.810 1.00 15.32 H new ATOM 0 HE1 PHE A 52 22.370 -14.547 -4.602 1.00 74.04 H new ATOM 0 HE2 PHE A 52 21.616 -11.331 -1.907 1.00 11.15 H new ATOM 0 HZ PHE A 52 22.219 -13.687 -2.300 1.00 3.42 H new ATOM 809 N ALA A 53 19.672 -9.678 -9.397 1.00 50.02 N ATOM 810 CA ALA A 53 18.926 -8.652 -10.115 1.00 4.50 C ATOM 811 C ALA A 53 18.065 -9.266 -11.214 1.00 4.55 C ATOM 812 O ALA A 53 17.802 -10.468 -11.210 1.00 22.23 O ATOM 813 CB ALA A 53 19.879 -7.621 -10.702 1.00 42.15 C ATOM 0 H ALA A 53 20.372 -10.162 -9.960 1.00 50.02 H new ATOM 0 HA ALA A 53 18.263 -8.156 -9.406 1.00 4.50 H new ATOM 0 HB1 ALA A 53 19.309 -6.861 -11.236 1.00 42.15 H new ATOM 0 HB2 ALA A 53 20.447 -7.152 -9.899 1.00 42.15 H new ATOM 0 HB3 ALA A 53 20.565 -8.111 -11.393 1.00 42.15 H new ATOM 819 N ARG A 54 17.629 -8.432 -12.152 1.00 72.12 N ATOM 820 CA ARG A 54 16.796 -8.893 -13.256 1.00 35.30 C ATOM 821 C ARG A 54 15.384 -9.216 -12.774 1.00 23.12 C ATOM 822 O ARG A 54 14.881 -10.320 -12.984 1.00 63.34 O ATOM 823 CB ARG A 54 17.417 -10.128 -13.911 1.00 22.22 C ATOM 824 CG ARG A 54 17.112 -10.250 -15.395 1.00 14.42 C ATOM 825 CD ARG A 54 17.960 -9.294 -16.218 1.00 44.43 C ATOM 826 NE ARG A 54 17.358 -9.007 -17.517 1.00 71.15 N ATOM 827 CZ ARG A 54 17.857 -8.131 -18.382 1.00 63.01 C ATOM 828 NH1 ARG A 54 18.962 -7.460 -18.087 1.00 41.23 N ATOM 829 NH2 ARG A 54 17.252 -7.925 -19.545 1.00 33.33 N ATOM 0 H ARG A 54 17.839 -7.434 -12.170 1.00 72.12 H new ATOM 0 HA ARG A 54 16.736 -8.091 -13.992 1.00 35.30 H new ATOM 0 HB2 ARG A 54 18.498 -10.097 -13.772 1.00 22.22 H new ATOM 0 HB3 ARG A 54 17.055 -11.020 -13.400 1.00 22.22 H new ATOM 0 HG2 ARG A 54 17.294 -11.274 -15.722 1.00 14.42 H new ATOM 0 HG3 ARG A 54 16.056 -10.043 -15.569 1.00 14.42 H new ATOM 0 HD2 ARG A 54 18.094 -8.363 -15.667 1.00 44.43 H new ATOM 0 HD3 ARG A 54 18.951 -9.723 -16.365 1.00 44.43 H new ATOM 0 HE ARG A 54 16.507 -9.507 -17.775 1.00 71.15 H new ATOM 0 HH11 ARG A 54 19.430 -7.616 -17.194 1.00 41.23 H new ATOM 0 HH12 ARG A 54 19.344 -6.788 -18.753 1.00 41.23 H new ATOM 0 HH21 ARG A 54 16.402 -8.440 -19.776 1.00 33.33 H new ATOM 0 HH22 ARG A 54 17.637 -7.252 -20.208 1.00 33.33 H new ATOM 843 N THR A 55 14.750 -8.245 -12.125 1.00 15.05 N ATOM 844 CA THR A 55 13.398 -8.426 -11.611 1.00 13.42 C ATOM 845 C THR A 55 12.388 -7.626 -12.426 1.00 61.04 C ATOM 846 O THR A 55 11.675 -8.179 -13.264 1.00 22.00 O ATOM 847 CB THR A 55 13.297 -8.003 -10.133 1.00 41.41 C ATOM 848 OG1 THR A 55 13.726 -6.645 -9.982 1.00 11.20 O ATOM 849 CG2 THR A 55 14.144 -8.908 -9.252 1.00 61.31 C ATOM 0 H THR A 55 15.151 -7.325 -11.943 1.00 15.05 H new ATOM 0 HA THR A 55 13.169 -9.488 -11.694 1.00 13.42 H new ATOM 0 HB THR A 55 12.256 -8.092 -9.823 1.00 41.41 H new ATOM 0 HG1 THR A 55 13.657 -6.383 -9.040 1.00 11.20 H new ATOM 0 HG21 THR A 55 14.057 -8.590 -8.213 1.00 61.31 H new ATOM 0 HG22 THR A 55 13.797 -9.937 -9.347 1.00 61.31 H new ATOM 0 HG23 THR A 55 15.187 -8.847 -9.564 1.00 61.31 H new ATOM 857 N ASP A 56 12.333 -6.322 -12.177 1.00 20.41 N ATOM 858 CA ASP A 56 11.411 -5.446 -12.890 1.00 43.21 C ATOM 859 C ASP A 56 11.478 -4.024 -12.340 1.00 61.43 C ATOM 860 O ASP A 56 12.369 -3.693 -11.559 1.00 13.23 O ATOM 861 CB ASP A 56 9.982 -5.980 -12.785 1.00 51.23 C ATOM 862 CG ASP A 56 9.330 -6.159 -14.142 1.00 61.52 C ATOM 863 OD1 ASP A 56 9.888 -6.905 -14.975 1.00 10.02 O ATOM 864 OD2 ASP A 56 8.262 -5.555 -14.371 1.00 74.44 O ATOM 0 H ASP A 56 12.916 -5.849 -11.487 1.00 20.41 H new ATOM 0 HA ASP A 56 11.706 -5.425 -13.939 1.00 43.21 H new ATOM 0 HB2 ASP A 56 9.992 -6.936 -12.261 1.00 51.23 H new ATOM 0 HB3 ASP A 56 9.384 -5.294 -12.185 1.00 51.23 H new ATOM 869 N GLU A 57 10.531 -3.189 -12.755 1.00 75.45 N ATOM 870 CA GLU A 57 10.484 -1.803 -12.305 1.00 70.25 C ATOM 871 C GLU A 57 9.431 -1.620 -11.216 1.00 42.11 C ATOM 872 O GLU A 57 9.004 -2.586 -10.583 1.00 13.42 O ATOM 873 CB GLU A 57 10.184 -0.872 -13.482 1.00 2.33 C ATOM 874 CG GLU A 57 8.762 -0.989 -14.004 1.00 62.21 C ATOM 875 CD GLU A 57 8.581 -2.166 -14.943 1.00 42.24 C ATOM 876 OE1 GLU A 57 9.582 -2.600 -15.551 1.00 53.13 O ATOM 877 OE2 GLU A 57 7.438 -2.653 -15.070 1.00 10.40 O ATOM 0 H GLU A 57 9.786 -3.448 -13.402 1.00 75.45 H new ATOM 0 HA GLU A 57 11.459 -1.549 -11.889 1.00 70.25 H new ATOM 0 HB2 GLU A 57 10.366 0.158 -13.175 1.00 2.33 H new ATOM 0 HB3 GLU A 57 10.879 -1.090 -14.293 1.00 2.33 H new ATOM 0 HG2 GLU A 57 8.077 -1.092 -13.162 1.00 62.21 H new ATOM 0 HG3 GLU A 57 8.493 -0.069 -14.524 1.00 62.21 H new ATOM 884 N ILE A 58 9.019 -0.375 -11.004 1.00 12.22 N ATOM 885 CA ILE A 58 8.016 -0.065 -9.992 1.00 44.31 C ATOM 886 C ILE A 58 6.668 0.249 -10.632 1.00 2.01 C ATOM 887 O ILE A 58 6.580 1.064 -11.550 1.00 2.24 O ATOM 888 CB ILE A 58 8.448 1.129 -9.119 1.00 72.43 C ATOM 889 CG1 ILE A 58 9.371 2.058 -9.909 1.00 4.51 C ATOM 890 CG2 ILE A 58 9.136 0.638 -7.854 1.00 45.15 C ATOM 891 CD1 ILE A 58 8.692 2.734 -11.079 1.00 55.30 C ATOM 0 H ILE A 58 9.364 0.435 -11.519 1.00 12.22 H new ATOM 0 HA ILE A 58 7.919 -0.949 -9.362 1.00 44.31 H new ATOM 0 HB ILE A 58 7.559 1.691 -8.831 1.00 72.43 H new ATOM 0 HG12 ILE A 58 9.765 2.821 -9.238 1.00 4.51 H new ATOM 0 HG13 ILE A 58 10.223 1.485 -10.275 1.00 4.51 H new ATOM 0 HG21 ILE A 58 9.435 1.493 -7.248 1.00 45.15 H new ATOM 0 HG22 ILE A 58 8.448 0.013 -7.285 1.00 45.15 H new ATOM 0 HG23 ILE A 58 10.018 0.056 -8.122 1.00 45.15 H new ATOM 0 HD11 ILE A 58 9.407 3.377 -11.592 1.00 55.30 H new ATOM 0 HD12 ILE A 58 8.322 1.978 -11.771 1.00 55.30 H new ATOM 0 HD13 ILE A 58 7.857 3.335 -10.718 1.00 55.30 H new ATOM 903 N MET A 59 5.620 -0.403 -10.140 1.00 12.33 N ATOM 904 CA MET A 59 4.275 -0.191 -10.662 1.00 13.33 C ATOM 905 C MET A 59 3.687 1.114 -10.135 1.00 54.50 C ATOM 906 O MET A 59 4.179 1.701 -9.171 1.00 22.30 O ATOM 907 CB MET A 59 3.367 -1.362 -10.283 1.00 31.43 C ATOM 908 CG MET A 59 3.056 -2.291 -11.445 1.00 54.23 C ATOM 909 SD MET A 59 1.521 -3.208 -11.210 1.00 50.33 S ATOM 910 CE MET A 59 1.299 -3.919 -12.839 1.00 20.41 C ATOM 0 H MET A 59 5.676 -1.082 -9.381 1.00 12.33 H new ATOM 0 HA MET A 59 4.340 -0.128 -11.748 1.00 13.33 H new ATOM 0 HB2 MET A 59 3.841 -1.936 -9.487 1.00 31.43 H new ATOM 0 HB3 MET A 59 2.432 -0.971 -9.881 1.00 31.43 H new ATOM 0 HG2 MET A 59 2.989 -1.708 -12.363 1.00 54.23 H new ATOM 0 HG3 MET A 59 3.879 -2.994 -11.573 1.00 54.23 H new ATOM 0 HE1 MET A 59 0.388 -4.517 -12.854 1.00 20.41 H new ATOM 0 HE2 MET A 59 1.221 -3.121 -13.577 1.00 20.41 H new ATOM 0 HE3 MET A 59 2.153 -4.553 -13.079 1.00 20.41 H new ATOM 920 N PRO A 60 2.608 1.582 -10.781 1.00 42.02 N ATOM 921 CA PRO A 60 1.930 2.823 -10.395 1.00 30.24 C ATOM 922 C PRO A 60 1.197 2.693 -9.064 1.00 25.34 C ATOM 923 O PRO A 60 0.792 3.690 -8.468 1.00 42.43 O ATOM 924 CB PRO A 60 0.933 3.052 -11.533 1.00 61.35 C ATOM 925 CG PRO A 60 0.679 1.695 -12.093 1.00 31.41 C ATOM 926 CD PRO A 60 1.967 0.935 -11.938 1.00 45.04 C ATOM 0 HA PRO A 60 2.633 3.644 -10.254 1.00 30.24 H new ATOM 0 HB2 PRO A 60 0.013 3.508 -11.167 1.00 61.35 H new ATOM 0 HB3 PRO A 60 1.342 3.722 -12.289 1.00 61.35 H new ATOM 0 HG2 PRO A 60 -0.133 1.199 -11.561 1.00 31.41 H new ATOM 0 HG3 PRO A 60 0.385 1.754 -13.141 1.00 31.41 H new ATOM 0 HD2 PRO A 60 1.789 -0.125 -11.758 1.00 45.04 H new ATOM 0 HD3 PRO A 60 2.586 1.007 -12.832 1.00 45.04 H new ATOM 934 N GLU A 61 1.032 1.457 -8.603 1.00 20.24 N ATOM 935 CA GLU A 61 0.348 1.198 -7.341 1.00 74.14 C ATOM 936 C GLU A 61 1.317 1.292 -6.167 1.00 2.22 C ATOM 937 O GLU A 61 0.904 1.455 -5.019 1.00 21.45 O ATOM 938 CB GLU A 61 -0.308 -0.184 -7.366 1.00 33.32 C ATOM 939 CG GLU A 61 0.662 -1.323 -7.103 1.00 23.33 C ATOM 940 CD GLU A 61 0.149 -2.656 -7.611 1.00 32.51 C ATOM 941 OE1 GLU A 61 -1.084 -2.859 -7.603 1.00 4.11 O ATOM 942 OE2 GLU A 61 0.979 -3.497 -8.016 1.00 75.01 O ATOM 0 H GLU A 61 1.362 0.620 -9.084 1.00 20.24 H new ATOM 0 HA GLU A 61 -0.424 1.957 -7.213 1.00 74.14 H new ATOM 0 HB2 GLU A 61 -1.101 -0.214 -6.619 1.00 33.32 H new ATOM 0 HB3 GLU A 61 -0.779 -0.336 -8.337 1.00 33.32 H new ATOM 0 HG2 GLU A 61 1.616 -1.100 -7.580 1.00 23.33 H new ATOM 0 HG3 GLU A 61 0.850 -1.395 -6.032 1.00 23.33 H new ATOM 949 N ASP A 62 2.608 1.188 -6.463 1.00 51.43 N ATOM 950 CA ASP A 62 3.637 1.262 -5.433 1.00 44.31 C ATOM 951 C ASP A 62 4.620 2.391 -5.727 1.00 44.30 C ATOM 952 O ASP A 62 4.356 3.259 -6.560 1.00 33.51 O ATOM 953 CB ASP A 62 4.385 -0.068 -5.333 1.00 20.32 C ATOM 954 CG ASP A 62 3.786 -1.138 -6.225 1.00 42.52 C ATOM 955 OD1 ASP A 62 3.895 -1.007 -7.463 1.00 31.33 O ATOM 956 OD2 ASP A 62 3.210 -2.105 -5.686 1.00 75.02 O ATOM 0 H ASP A 62 2.967 1.052 -7.408 1.00 51.43 H new ATOM 0 HA ASP A 62 3.149 1.468 -4.481 1.00 44.31 H new ATOM 0 HB2 ASP A 62 5.429 0.085 -5.605 1.00 20.32 H new ATOM 0 HB3 ASP A 62 4.372 -0.412 -4.299 1.00 20.32 H new ATOM 961 N LYS A 63 5.756 2.375 -5.037 1.00 14.01 N ATOM 962 CA LYS A 63 6.779 3.397 -5.223 1.00 23.51 C ATOM 963 C LYS A 63 8.166 2.839 -4.920 1.00 22.54 C ATOM 964 O LYS A 63 8.316 1.660 -4.594 1.00 14.44 O ATOM 965 CB LYS A 63 6.495 4.602 -4.324 1.00 43.10 C ATOM 966 CG LYS A 63 5.752 4.247 -3.048 1.00 3.54 C ATOM 967 CD LYS A 63 6.043 5.244 -1.938 1.00 24.32 C ATOM 968 CE LYS A 63 5.170 6.483 -2.058 1.00 43.34 C ATOM 969 NZ LYS A 63 5.703 7.441 -3.067 1.00 33.20 N ATOM 0 H LYS A 63 5.991 1.665 -4.344 1.00 14.01 H new ATOM 0 HA LYS A 63 6.754 3.715 -6.265 1.00 23.51 H new ATOM 0 HB2 LYS A 63 7.439 5.081 -4.064 1.00 43.10 H new ATOM 0 HB3 LYS A 63 5.911 5.332 -4.884 1.00 43.10 H new ATOM 0 HG2 LYS A 63 4.680 4.223 -3.245 1.00 3.54 H new ATOM 0 HG3 LYS A 63 6.040 3.247 -2.725 1.00 3.54 H new ATOM 0 HD2 LYS A 63 5.875 4.772 -0.970 1.00 24.32 H new ATOM 0 HD3 LYS A 63 7.093 5.533 -1.973 1.00 24.32 H new ATOM 0 HE2 LYS A 63 4.158 6.189 -2.336 1.00 43.34 H new ATOM 0 HE3 LYS A 63 5.104 6.976 -1.088 1.00 43.34 H new ATOM 0 HZ1 LYS A 63 5.431 8.410 -2.804 1.00 33.20 H new ATOM 0 HZ2 LYS A 63 6.740 7.370 -3.099 1.00 33.20 H new ATOM 0 HZ3 LYS A 63 5.311 7.213 -4.003 1.00 33.20 H new ATOM 983 N THR A 64 9.179 3.692 -5.028 1.00 5.54 N ATOM 984 CA THR A 64 10.554 3.285 -4.765 1.00 32.13 C ATOM 985 C THR A 64 11.139 4.054 -3.586 1.00 24.10 C ATOM 986 O THR A 64 11.300 5.273 -3.645 1.00 63.04 O ATOM 987 CB THR A 64 11.449 3.500 -5.999 1.00 65.13 C ATOM 988 OG1 THR A 64 11.528 2.292 -6.764 1.00 21.21 O ATOM 989 CG2 THR A 64 12.847 3.936 -5.585 1.00 32.42 C ATOM 0 H THR A 64 9.073 4.670 -5.296 1.00 5.54 H new ATOM 0 HA THR A 64 10.529 2.222 -4.525 1.00 32.13 H new ATOM 0 HB THR A 64 11.006 4.287 -6.609 1.00 65.13 H new ATOM 0 HG1 THR A 64 12.098 2.438 -7.548 1.00 21.21 H new ATOM 0 HG21 THR A 64 13.461 4.082 -6.474 1.00 32.42 H new ATOM 0 HG22 THR A 64 12.787 4.871 -5.029 1.00 32.42 H new ATOM 0 HG23 THR A 64 13.296 3.168 -4.956 1.00 32.42 H new ATOM 997 N VAL A 65 11.458 3.334 -2.515 1.00 34.21 N ATOM 998 CA VAL A 65 12.028 3.949 -1.322 1.00 73.31 C ATOM 999 C VAL A 65 13.161 4.903 -1.684 1.00 34.34 C ATOM 1000 O VAL A 65 13.271 5.992 -1.123 1.00 44.21 O ATOM 1001 CB VAL A 65 12.559 2.886 -0.342 1.00 62.12 C ATOM 1002 CG1 VAL A 65 13.101 1.683 -1.100 1.00 55.54 C ATOM 1003 CG2 VAL A 65 13.628 3.482 0.561 1.00 11.05 C ATOM 0 H VAL A 65 11.331 2.324 -2.449 1.00 34.21 H new ATOM 0 HA VAL A 65 11.226 4.508 -0.840 1.00 73.31 H new ATOM 0 HB VAL A 65 11.733 2.549 0.284 1.00 62.12 H new ATOM 0 HG11 VAL A 65 13.472 0.943 -0.391 1.00 55.54 H new ATOM 0 HG12 VAL A 65 12.305 1.243 -1.701 1.00 55.54 H new ATOM 0 HG13 VAL A 65 13.915 2.000 -1.752 1.00 55.54 H new ATOM 0 HG21 VAL A 65 13.992 2.717 1.247 1.00 11.05 H new ATOM 0 HG22 VAL A 65 14.455 3.848 -0.047 1.00 11.05 H new ATOM 0 HG23 VAL A 65 13.203 4.308 1.131 1.00 11.05 H new ATOM 1013 N GLY A 66 14.001 4.485 -2.625 1.00 41.05 N ATOM 1014 CA GLY A 66 15.115 5.314 -3.047 1.00 10.45 C ATOM 1015 C GLY A 66 16.256 4.502 -3.626 1.00 40.22 C ATOM 1016 O GLY A 66 16.098 3.317 -3.918 1.00 61.41 O ATOM 0 H GLY A 66 13.930 3.587 -3.103 1.00 41.05 H new ATOM 0 HA2 GLY A 66 14.769 6.031 -3.792 1.00 10.45 H new ATOM 0 HA3 GLY A 66 15.478 5.890 -2.196 1.00 10.45 H new ATOM 1020 N PHE A 67 17.409 5.141 -3.795 1.00 51.11 N ATOM 1021 CA PHE A 67 18.581 4.471 -4.347 1.00 33.24 C ATOM 1022 C PHE A 67 19.799 4.683 -3.453 1.00 64.02 C ATOM 1023 O PHE A 67 19.945 5.729 -2.821 1.00 2.20 O ATOM 1024 CB PHE A 67 18.873 4.986 -5.757 1.00 54.24 C ATOM 1025 CG PHE A 67 19.356 6.408 -5.788 1.00 60.11 C ATOM 1026 CD1 PHE A 67 18.455 7.459 -5.854 1.00 63.40 C ATOM 1027 CD2 PHE A 67 20.711 6.694 -5.752 1.00 24.44 C ATOM 1028 CE1 PHE A 67 18.897 8.768 -5.882 1.00 52.20 C ATOM 1029 CE2 PHE A 67 21.159 8.001 -5.779 1.00 13.01 C ATOM 1030 CZ PHE A 67 20.250 9.039 -5.845 1.00 44.55 C ATOM 0 H PHE A 67 17.557 6.122 -3.558 1.00 51.11 H new ATOM 0 HA PHE A 67 18.369 3.403 -4.395 1.00 33.24 H new ATOM 0 HB2 PHE A 67 19.623 4.346 -6.221 1.00 54.24 H new ATOM 0 HB3 PHE A 67 17.968 4.905 -6.359 1.00 54.24 H new ATOM 0 HD1 PHE A 67 17.395 7.253 -5.884 1.00 63.40 H new ATOM 0 HD2 PHE A 67 21.426 5.886 -5.702 1.00 24.44 H new ATOM 0 HE1 PHE A 67 18.185 9.578 -5.933 1.00 52.20 H new ATOM 0 HE2 PHE A 67 22.218 8.211 -5.749 1.00 13.01 H new ATOM 0 HZ PHE A 67 20.597 10.061 -5.868 1.00 44.55 H new ATOM 1040 N VAL A 68 20.673 3.682 -3.406 1.00 35.22 N ATOM 1041 CA VAL A 68 21.879 3.758 -2.591 1.00 22.41 C ATOM 1042 C VAL A 68 23.132 3.690 -3.457 1.00 2.33 C ATOM 1043 O VAL A 68 23.280 2.792 -4.285 1.00 20.40 O ATOM 1044 CB VAL A 68 21.926 2.623 -1.550 1.00 71.03 C ATOM 1045 CG1 VAL A 68 23.155 2.761 -0.664 1.00 54.03 C ATOM 1046 CG2 VAL A 68 20.654 2.614 -0.715 1.00 65.00 C ATOM 0 H VAL A 68 20.568 2.809 -3.923 1.00 35.22 H new ATOM 0 HA VAL A 68 21.850 4.716 -2.072 1.00 22.41 H new ATOM 0 HB VAL A 68 21.994 1.672 -2.078 1.00 71.03 H new ATOM 0 HG11 VAL A 68 23.171 1.951 0.065 1.00 54.03 H new ATOM 0 HG12 VAL A 68 24.054 2.714 -1.279 1.00 54.03 H new ATOM 0 HG13 VAL A 68 23.122 3.718 -0.142 1.00 54.03 H new ATOM 0 HG21 VAL A 68 20.704 1.806 0.015 1.00 65.00 H new ATOM 0 HG22 VAL A 68 20.553 3.567 -0.196 1.00 65.00 H new ATOM 0 HG23 VAL A 68 19.793 2.462 -1.366 1.00 65.00 H new ATOM 1056 N VAL A 69 24.033 4.647 -3.259 1.00 45.12 N ATOM 1057 CA VAL A 69 25.276 4.696 -4.021 1.00 12.13 C ATOM 1058 C VAL A 69 26.461 4.259 -3.167 1.00 41.13 C ATOM 1059 O VAL A 69 26.756 4.866 -2.137 1.00 74.42 O ATOM 1060 CB VAL A 69 25.544 6.111 -4.566 1.00 43.33 C ATOM 1061 CG1 VAL A 69 26.860 6.149 -5.329 1.00 10.24 C ATOM 1062 CG2 VAL A 69 24.393 6.568 -5.450 1.00 4.31 C ATOM 0 H VAL A 69 23.926 5.399 -2.578 1.00 45.12 H new ATOM 0 HA VAL A 69 25.162 4.008 -4.858 1.00 12.13 H new ATOM 0 HB VAL A 69 25.620 6.798 -3.723 1.00 43.33 H new ATOM 0 HG11 VAL A 69 27.033 7.157 -5.707 1.00 10.24 H new ATOM 0 HG12 VAL A 69 27.675 5.867 -4.663 1.00 10.24 H new ATOM 0 HG13 VAL A 69 26.816 5.451 -6.165 1.00 10.24 H new ATOM 0 HG21 VAL A 69 24.599 7.570 -5.827 1.00 4.31 H new ATOM 0 HG22 VAL A 69 24.283 5.881 -6.289 1.00 4.31 H new ATOM 0 HG23 VAL A 69 23.471 6.581 -4.869 1.00 4.31 H new ATOM 1072 N VAL A 70 27.139 3.202 -3.603 1.00 44.21 N ATOM 1073 CA VAL A 70 28.295 2.684 -2.880 1.00 74.12 C ATOM 1074 C VAL A 70 29.521 2.614 -3.783 1.00 23.43 C ATOM 1075 O VAL A 70 29.528 1.898 -4.783 1.00 60.22 O ATOM 1076 CB VAL A 70 28.014 1.283 -2.304 1.00 0.53 C ATOM 1077 CG1 VAL A 70 29.218 0.775 -1.525 1.00 13.41 C ATOM 1078 CG2 VAL A 70 26.772 1.308 -1.425 1.00 42.45 C ATOM 0 H VAL A 70 26.908 2.688 -4.453 1.00 44.21 H new ATOM 0 HA VAL A 70 28.491 3.374 -2.059 1.00 74.12 H new ATOM 0 HB VAL A 70 27.832 0.598 -3.132 1.00 0.53 H new ATOM 0 HG11 VAL A 70 29.001 -0.216 -1.126 1.00 13.41 H new ATOM 0 HG12 VAL A 70 30.082 0.718 -2.187 1.00 13.41 H new ATOM 0 HG13 VAL A 70 29.434 1.458 -0.704 1.00 13.41 H new ATOM 0 HG21 VAL A 70 26.588 0.310 -1.026 1.00 42.45 H new ATOM 0 HG22 VAL A 70 26.923 2.006 -0.601 1.00 42.45 H new ATOM 0 HG23 VAL A 70 25.914 1.626 -2.017 1.00 42.45 H new ATOM 1088 N ASN A 71 30.559 3.362 -3.421 1.00 72.52 N ATOM 1089 CA ASN A 71 31.792 3.384 -4.199 1.00 5.23 C ATOM 1090 C ASN A 71 32.968 2.876 -3.369 1.00 52.20 C ATOM 1091 O ASN A 71 33.419 3.544 -2.439 1.00 52.11 O ATOM 1092 CB ASN A 71 32.080 4.802 -4.696 1.00 42.24 C ATOM 1093 CG ASN A 71 30.895 5.413 -5.419 1.00 31.12 C ATOM 1094 OD1 ASN A 71 30.537 4.988 -6.518 1.00 23.05 O ATOM 1095 ND2 ASN A 71 30.280 6.416 -4.803 1.00 74.21 N ATOM 0 H ASN A 71 30.570 3.960 -2.595 1.00 72.52 H new ATOM 0 HA ASN A 71 31.663 2.724 -5.057 1.00 5.23 H new ATOM 0 HB2 ASN A 71 32.350 5.433 -3.849 1.00 42.24 H new ATOM 0 HB3 ASN A 71 32.940 4.782 -5.366 1.00 42.24 H new ATOM 0 HD21 ASN A 71 29.476 6.867 -5.240 1.00 74.21 H new ATOM 0 HD22 ASN A 71 30.611 6.735 -3.893 1.00 74.21 H new ATOM 1102 N ALA A 72 33.459 1.690 -3.713 1.00 41.31 N ATOM 1103 CA ALA A 72 34.583 1.094 -3.002 1.00 62.24 C ATOM 1104 C ALA A 72 35.873 1.861 -3.273 1.00 21.03 C ATOM 1105 O ALA A 72 36.723 1.995 -2.392 1.00 50.01 O ATOM 1106 CB ALA A 72 34.743 -0.367 -3.398 1.00 53.31 C ATOM 0 H ALA A 72 33.096 1.123 -4.479 1.00 41.31 H new ATOM 0 HA ALA A 72 34.375 1.149 -1.933 1.00 62.24 H new ATOM 0 HB1 ALA A 72 35.586 -0.800 -2.859 1.00 53.31 H new ATOM 0 HB2 ALA A 72 33.834 -0.913 -3.148 1.00 53.31 H new ATOM 0 HB3 ALA A 72 34.924 -0.436 -4.471 1.00 53.31 H new ATOM 1112 N ASP A 73 36.013 2.362 -4.495 1.00 72.21 N ATOM 1113 CA ASP A 73 37.200 3.116 -4.881 1.00 55.23 C ATOM 1114 C ASP A 73 37.380 4.340 -3.989 1.00 14.23 C ATOM 1115 O ASP A 73 38.502 4.709 -3.641 1.00 33.10 O ATOM 1116 CB ASP A 73 37.102 3.547 -6.345 1.00 52.35 C ATOM 1117 CG ASP A 73 36.335 4.844 -6.517 1.00 71.34 C ATOM 1118 OD1 ASP A 73 35.095 4.786 -6.649 1.00 35.22 O ATOM 1119 OD2 ASP A 73 36.975 5.916 -6.521 1.00 40.24 O ATOM 0 H ASP A 73 35.319 2.260 -5.236 1.00 72.21 H new ATOM 0 HA ASP A 73 38.068 2.468 -4.758 1.00 55.23 H new ATOM 0 HB2 ASP A 73 38.105 3.665 -6.754 1.00 52.35 H new ATOM 0 HB3 ASP A 73 36.614 2.760 -6.920 1.00 52.35 H new ATOM 1124 N LYS A 74 36.267 4.967 -3.622 1.00 2.24 N ATOM 1125 CA LYS A 74 36.301 6.150 -2.769 1.00 74.15 C ATOM 1126 C LYS A 74 36.082 5.773 -1.308 1.00 10.54 C ATOM 1127 O LYS A 74 36.332 6.573 -0.406 1.00 12.45 O ATOM 1128 CB LYS A 74 35.234 7.154 -3.214 1.00 5.05 C ATOM 1129 CG LYS A 74 35.576 7.872 -4.508 1.00 23.42 C ATOM 1130 CD LYS A 74 34.889 9.224 -4.594 1.00 71.10 C ATOM 1131 CE LYS A 74 34.858 9.743 -6.023 1.00 50.43 C ATOM 1132 NZ LYS A 74 34.136 11.041 -6.126 1.00 55.51 N ATOM 0 H LYS A 74 35.330 4.676 -3.902 1.00 2.24 H new ATOM 0 HA LYS A 74 37.285 6.609 -2.863 1.00 74.15 H new ATOM 0 HB2 LYS A 74 34.285 6.632 -3.338 1.00 5.05 H new ATOM 0 HB3 LYS A 74 35.091 7.893 -2.425 1.00 5.05 H new ATOM 0 HG2 LYS A 74 36.656 8.006 -4.576 1.00 23.42 H new ATOM 0 HG3 LYS A 74 35.277 7.256 -5.357 1.00 23.42 H new ATOM 0 HD2 LYS A 74 33.871 9.141 -4.214 1.00 71.10 H new ATOM 0 HD3 LYS A 74 35.410 9.939 -3.957 1.00 71.10 H new ATOM 0 HE2 LYS A 74 35.878 9.865 -6.387 1.00 50.43 H new ATOM 0 HE3 LYS A 74 34.376 9.007 -6.666 1.00 50.43 H new ATOM 0 HZ1 LYS A 74 34.137 11.361 -7.115 1.00 55.51 H new ATOM 0 HZ2 LYS A 74 33.155 10.919 -5.802 1.00 55.51 H new ATOM 0 HZ3 LYS A 74 34.611 11.750 -5.532 1.00 55.51 H new ATOM 1146 N LYS A 75 35.615 4.550 -1.080 1.00 5.43 N ATOM 1147 CA LYS A 75 35.366 4.066 0.273 1.00 73.13 C ATOM 1148 C LYS A 75 34.242 4.857 0.935 1.00 4.02 C ATOM 1149 O LYS A 75 34.281 5.121 2.138 1.00 75.32 O ATOM 1150 CB LYS A 75 36.639 4.165 1.115 1.00 23.13 C ATOM 1151 CG LYS A 75 37.874 3.622 0.417 1.00 2.22 C ATOM 1152 CD LYS A 75 38.898 3.108 1.415 1.00 3.12 C ATOM 1153 CE LYS A 75 40.038 2.380 0.719 1.00 31.22 C ATOM 1154 NZ LYS A 75 39.614 1.048 0.206 1.00 55.15 N ATOM 0 H LYS A 75 35.401 3.876 -1.815 1.00 5.43 H new ATOM 0 HA LYS A 75 35.062 3.021 0.208 1.00 73.13 H new ATOM 0 HB2 LYS A 75 36.810 5.209 1.378 1.00 23.13 H new ATOM 0 HB3 LYS A 75 36.491 3.621 2.048 1.00 23.13 H new ATOM 0 HG2 LYS A 75 37.587 2.816 -0.258 1.00 2.22 H new ATOM 0 HG3 LYS A 75 38.322 4.406 -0.194 1.00 2.22 H new ATOM 0 HD2 LYS A 75 39.296 3.943 1.992 1.00 3.12 H new ATOM 0 HD3 LYS A 75 38.413 2.435 2.122 1.00 3.12 H new ATOM 0 HE2 LYS A 75 40.406 2.987 -0.108 1.00 31.22 H new ATOM 0 HE3 LYS A 75 40.867 2.254 1.415 1.00 31.22 H new ATOM 0 HZ1 LYS A 75 40.448 0.521 -0.124 1.00 55.15 H new ATOM 0 HZ2 LYS A 75 39.147 0.515 0.967 1.00 55.15 H new ATOM 0 HZ3 LYS A 75 38.950 1.176 -0.585 1.00 55.15 H new ATOM 1168 N LEU A 76 33.243 5.232 0.144 1.00 30.14 N ATOM 1169 CA LEU A 76 32.107 5.992 0.655 1.00 61.21 C ATOM 1170 C LEU A 76 30.804 5.515 0.022 1.00 60.22 C ATOM 1171 O LEU A 76 30.786 5.073 -1.127 1.00 11.32 O ATOM 1172 CB LEU A 76 32.303 7.484 0.383 1.00 42.31 C ATOM 1173 CG LEU A 76 33.077 7.839 -0.888 1.00 13.15 C ATOM 1174 CD1 LEU A 76 32.268 7.476 -2.123 1.00 42.55 C ATOM 1175 CD2 LEU A 76 33.436 9.318 -0.898 1.00 31.22 C ATOM 0 H LEU A 76 33.196 5.023 -0.853 1.00 30.14 H new ATOM 0 HA LEU A 76 32.047 5.830 1.731 1.00 61.21 H new ATOM 0 HB2 LEU A 76 31.322 7.955 0.330 1.00 42.31 H new ATOM 0 HB3 LEU A 76 32.822 7.923 1.235 1.00 42.31 H new ATOM 0 HG LEU A 76 34.001 7.262 -0.902 1.00 13.15 H new ATOM 0 HD11 LEU A 76 32.834 7.735 -3.018 1.00 42.55 H new ATOM 0 HD12 LEU A 76 32.062 6.406 -2.121 1.00 42.55 H new ATOM 0 HD13 LEU A 76 31.327 8.026 -2.116 1.00 42.55 H new ATOM 0 HD21 LEU A 76 33.986 9.553 -1.809 1.00 31.22 H new ATOM 0 HD22 LEU A 76 32.524 9.914 -0.861 1.00 31.22 H new ATOM 0 HD23 LEU A 76 34.055 9.548 -0.031 1.00 31.22 H new ATOM 1187 N MET A 77 29.715 5.609 0.778 1.00 24.12 N ATOM 1188 CA MET A 77 28.407 5.190 0.289 1.00 11.03 C ATOM 1189 C MET A 77 27.305 6.080 0.855 1.00 33.33 C ATOM 1190 O MET A 77 27.249 6.324 2.060 1.00 11.14 O ATOM 1191 CB MET A 77 28.142 3.730 0.663 1.00 45.20 C ATOM 1192 CG MET A 77 27.903 3.517 2.149 1.00 44.11 C ATOM 1193 SD MET A 77 28.152 1.804 2.654 1.00 74.14 S ATOM 1194 CE MET A 77 29.907 1.613 2.352 1.00 73.13 C ATOM 0 H MET A 77 29.713 5.972 1.731 1.00 24.12 H new ATOM 0 HA MET A 77 28.405 5.285 -0.797 1.00 11.03 H new ATOM 0 HB2 MET A 77 27.274 3.373 0.109 1.00 45.20 H new ATOM 0 HB3 MET A 77 28.991 3.123 0.349 1.00 45.20 H new ATOM 0 HG2 MET A 77 28.575 4.160 2.717 1.00 44.11 H new ATOM 0 HG3 MET A 77 26.886 3.821 2.397 1.00 44.11 H new ATOM 0 HE1 MET A 77 30.086 0.674 1.828 1.00 73.13 H new ATOM 0 HE2 MET A 77 30.264 2.443 1.742 1.00 73.13 H new ATOM 0 HE3 MET A 77 30.441 1.605 3.302 1.00 73.13 H new ATOM 1204 N SER A 78 26.430 6.561 -0.022 1.00 51.20 N ATOM 1205 CA SER A 78 25.332 7.427 0.390 1.00 14.23 C ATOM 1206 C SER A 78 23.986 6.810 0.022 1.00 14.24 C ATOM 1207 O SER A 78 23.826 6.237 -1.055 1.00 62.33 O ATOM 1208 CB SER A 78 25.469 8.805 -0.260 1.00 54.14 C ATOM 1209 OG SER A 78 24.235 9.234 -0.810 1.00 41.50 O ATOM 0 H SER A 78 26.460 6.366 -1.023 1.00 51.20 H new ATOM 0 HA SER A 78 25.377 7.538 1.473 1.00 14.23 H new ATOM 0 HB2 SER A 78 25.812 9.528 0.481 1.00 54.14 H new ATOM 0 HB3 SER A 78 26.226 8.768 -1.043 1.00 54.14 H new ATOM 0 HG SER A 78 24.348 10.118 -1.218 1.00 41.50 H new ATOM 1215 N VAL A 79 23.019 6.932 0.927 1.00 52.25 N ATOM 1216 CA VAL A 79 21.686 6.388 0.698 1.00 14.03 C ATOM 1217 C VAL A 79 20.644 7.499 0.622 1.00 23.10 C ATOM 1218 O VAL A 79 20.464 8.261 1.572 1.00 41.24 O ATOM 1219 CB VAL A 79 21.285 5.399 1.809 1.00 1.45 C ATOM 1220 CG1 VAL A 79 19.928 4.780 1.510 1.00 3.30 C ATOM 1221 CG2 VAL A 79 22.347 4.323 1.972 1.00 23.24 C ATOM 0 H VAL A 79 23.134 7.402 1.825 1.00 52.25 H new ATOM 0 HA VAL A 79 21.720 5.859 -0.255 1.00 14.03 H new ATOM 0 HB VAL A 79 21.208 5.947 2.748 1.00 1.45 H new ATOM 0 HG11 VAL A 79 19.662 4.084 2.306 1.00 3.30 H new ATOM 0 HG12 VAL A 79 19.175 5.566 1.448 1.00 3.30 H new ATOM 0 HG13 VAL A 79 19.973 4.246 0.561 1.00 3.30 H new ATOM 0 HG21 VAL A 79 22.048 3.633 2.761 1.00 23.24 H new ATOM 0 HG22 VAL A 79 22.459 3.777 1.035 1.00 23.24 H new ATOM 0 HG23 VAL A 79 23.297 4.787 2.237 1.00 23.24 H new ATOM 1231 N SER A 80 19.960 7.585 -0.515 1.00 25.54 N ATOM 1232 CA SER A 80 18.938 8.605 -0.717 1.00 24.22 C ATOM 1233 C SER A 80 17.561 7.969 -0.880 1.00 41.10 C ATOM 1234 O SER A 80 17.336 7.174 -1.793 1.00 12.13 O ATOM 1235 CB SER A 80 19.270 9.453 -1.946 1.00 63.43 C ATOM 1236 OG SER A 80 20.670 9.619 -2.088 1.00 4.30 O ATOM 0 H SER A 80 20.095 6.960 -1.310 1.00 25.54 H new ATOM 0 HA SER A 80 18.920 9.247 0.164 1.00 24.22 H new ATOM 0 HB2 SER A 80 18.864 8.978 -2.840 1.00 63.43 H new ATOM 0 HB3 SER A 80 18.792 10.429 -1.858 1.00 63.43 H new ATOM 0 HG SER A 80 20.856 10.163 -2.882 1.00 4.30 H new ATOM 1242 N PHE A 81 16.643 8.326 0.012 1.00 74.53 N ATOM 1243 CA PHE A 81 15.287 7.790 -0.031 1.00 51.05 C ATOM 1244 C PHE A 81 14.260 8.889 0.226 1.00 33.44 C ATOM 1245 O PHE A 81 14.518 9.831 0.975 1.00 14.01 O ATOM 1246 CB PHE A 81 15.124 6.672 1.000 1.00 23.12 C ATOM 1247 CG PHE A 81 15.798 6.963 2.311 1.00 65.44 C ATOM 1248 CD1 PHE A 81 15.322 7.962 3.143 1.00 12.03 C ATOM 1249 CD2 PHE A 81 16.909 6.237 2.709 1.00 24.32 C ATOM 1250 CE1 PHE A 81 15.940 8.232 4.350 1.00 34.10 C ATOM 1251 CE2 PHE A 81 17.531 6.502 3.915 1.00 70.22 C ATOM 1252 CZ PHE A 81 17.046 7.501 4.736 1.00 43.44 C ATOM 0 H PHE A 81 16.813 8.984 0.773 1.00 74.53 H new ATOM 0 HA PHE A 81 15.116 7.382 -1.027 1.00 51.05 H new ATOM 0 HB2 PHE A 81 14.062 6.503 1.176 1.00 23.12 H new ATOM 0 HB3 PHE A 81 15.530 5.748 0.589 1.00 23.12 H new ATOM 0 HD1 PHE A 81 14.458 8.537 2.846 1.00 12.03 H new ATOM 0 HD2 PHE A 81 17.293 5.456 2.070 1.00 24.32 H new ATOM 0 HE1 PHE A 81 15.558 9.014 4.990 1.00 34.10 H new ATOM 0 HE2 PHE A 81 18.395 5.928 4.215 1.00 70.22 H new ATOM 0 HZ PHE A 81 17.531 7.710 5.678 1.00 43.44 H new ATOM 1262 N SER A 82 13.094 8.760 -0.400 1.00 25.21 N ATOM 1263 CA SER A 82 12.029 9.743 -0.242 1.00 42.15 C ATOM 1264 C SER A 82 10.815 9.123 0.442 1.00 13.41 C ATOM 1265 O SER A 82 10.592 7.915 0.361 1.00 1.34 O ATOM 1266 CB SER A 82 11.626 10.312 -1.604 1.00 42.12 C ATOM 1267 OG SER A 82 12.431 11.426 -1.950 1.00 62.10 O ATOM 0 H SER A 82 12.863 7.984 -1.021 1.00 25.21 H new ATOM 0 HA SER A 82 12.404 10.552 0.385 1.00 42.15 H new ATOM 0 HB2 SER A 82 11.721 9.539 -2.367 1.00 42.12 H new ATOM 0 HB3 SER A 82 10.578 10.610 -1.581 1.00 42.12 H new ATOM 0 HG SER A 82 12.155 11.770 -2.825 1.00 62.10 H new ATOM 1273 N ASP A 83 10.033 9.960 1.116 1.00 74.34 N ATOM 1274 CA ASP A 83 8.839 9.496 1.814 1.00 25.21 C ATOM 1275 C ASP A 83 8.930 8.002 2.112 1.00 5.53 C ATOM 1276 O ASP A 83 8.425 7.176 1.352 1.00 44.01 O ATOM 1277 CB ASP A 83 7.590 9.787 0.982 1.00 53.11 C ATOM 1278 CG ASP A 83 7.340 11.273 0.813 1.00 33.14 C ATOM 1279 OD1 ASP A 83 7.299 11.987 1.837 1.00 71.02 O ATOM 1280 OD2 ASP A 83 7.184 11.721 -0.342 1.00 11.41 O ATOM 0 H ASP A 83 10.204 10.962 1.194 1.00 74.34 H new ATOM 0 HA ASP A 83 8.769 10.034 2.760 1.00 25.21 H new ATOM 0 HB2 ASP A 83 7.695 9.325 0.000 1.00 53.11 H new ATOM 0 HB3 ASP A 83 6.724 9.328 1.459 1.00 53.11 H new ATOM 1285 N ILE A 84 9.578 7.664 3.222 1.00 11.42 N ATOM 1286 CA ILE A 84 9.735 6.271 3.620 1.00 32.01 C ATOM 1287 C ILE A 84 9.182 6.034 5.021 1.00 22.15 C ATOM 1288 O ILE A 84 8.621 6.939 5.640 1.00 24.30 O ATOM 1289 CB ILE A 84 11.212 5.838 3.583 1.00 23.11 C ATOM 1290 CG1 ILE A 84 12.027 6.641 4.599 1.00 45.13 C ATOM 1291 CG2 ILE A 84 11.781 6.012 2.183 1.00 55.53 C ATOM 1292 CD1 ILE A 84 13.081 5.822 5.311 1.00 12.23 C ATOM 0 H ILE A 84 10.003 8.336 3.861 1.00 11.42 H new ATOM 0 HA ILE A 84 9.172 5.673 2.904 1.00 32.01 H new ATOM 0 HB ILE A 84 11.272 4.783 3.849 1.00 23.11 H new ATOM 0 HG12 ILE A 84 12.510 7.474 4.088 1.00 45.13 H new ATOM 0 HG13 ILE A 84 11.350 7.069 5.338 1.00 45.13 H new ATOM 0 HG21 ILE A 84 12.826 5.702 2.174 1.00 55.53 H new ATOM 0 HG22 ILE A 84 11.214 5.400 1.481 1.00 55.53 H new ATOM 0 HG23 ILE A 84 11.711 7.059 1.889 1.00 55.53 H new ATOM 0 HD11 ILE A 84 13.620 6.456 6.016 1.00 12.23 H new ATOM 0 HD12 ILE A 84 12.603 5.004 5.850 1.00 12.23 H new ATOM 0 HD13 ILE A 84 13.781 5.415 4.581 1.00 12.23 H new ATOM 1304 N ASP A 85 9.346 4.812 5.517 1.00 52.30 N ATOM 1305 CA ASP A 85 8.866 4.456 6.847 1.00 10.23 C ATOM 1306 C ASP A 85 10.031 4.115 7.772 1.00 55.03 C ATOM 1307 O ASP A 85 11.069 3.630 7.324 1.00 72.03 O ATOM 1308 CB ASP A 85 7.901 3.273 6.765 1.00 74.24 C ATOM 1309 CG ASP A 85 6.915 3.248 7.916 1.00 12.31 C ATOM 1310 OD1 ASP A 85 6.960 4.172 8.755 1.00 25.44 O ATOM 1311 OD2 ASP A 85 6.098 2.305 7.979 1.00 41.34 O ATOM 0 H ASP A 85 9.808 4.052 5.018 1.00 52.30 H new ATOM 0 HA ASP A 85 8.339 5.317 7.258 1.00 10.23 H new ATOM 0 HB2 ASP A 85 7.354 3.319 5.823 1.00 74.24 H new ATOM 0 HB3 ASP A 85 8.470 2.344 6.758 1.00 74.24 H new ATOM 1316 N GLU A 86 9.850 4.373 9.063 1.00 13.22 N ATOM 1317 CA GLU A 86 10.887 4.095 10.050 1.00 72.13 C ATOM 1318 C GLU A 86 11.187 2.600 10.116 1.00 5.31 C ATOM 1319 O GLU A 86 12.287 2.194 10.488 1.00 65.23 O ATOM 1320 CB GLU A 86 10.459 4.602 11.429 1.00 45.14 C ATOM 1321 CG GLU A 86 9.309 3.817 12.036 1.00 25.25 C ATOM 1322 CD GLU A 86 8.790 4.441 13.317 1.00 75.30 C ATOM 1323 OE1 GLU A 86 9.360 5.461 13.755 1.00 44.11 O ATOM 1324 OE2 GLU A 86 7.811 3.908 13.881 1.00 72.21 O ATOM 0 H GLU A 86 8.996 4.774 9.450 1.00 13.22 H new ATOM 0 HA GLU A 86 11.794 4.617 9.745 1.00 72.13 H new ATOM 0 HB2 GLU A 86 11.314 4.559 12.104 1.00 45.14 H new ATOM 0 HB3 GLU A 86 10.170 5.650 11.348 1.00 45.14 H new ATOM 0 HG2 GLU A 86 8.496 3.752 11.313 1.00 25.25 H new ATOM 0 HG3 GLU A 86 9.637 2.798 12.239 1.00 25.25 H new ATOM 1331 N ASN A 87 10.200 1.787 9.753 1.00 5.54 N ATOM 1332 CA ASN A 87 10.358 0.338 9.773 1.00 61.34 C ATOM 1333 C ASN A 87 11.487 -0.099 8.843 1.00 34.15 C ATOM 1334 O ASN A 87 12.346 -0.893 9.225 1.00 1.01 O ATOM 1335 CB ASN A 87 9.051 -0.344 9.362 1.00 44.34 C ATOM 1336 CG ASN A 87 8.956 -1.768 9.874 1.00 41.04 C ATOM 1337 OD1 ASN A 87 9.129 -2.724 9.118 1.00 72.14 O ATOM 1338 ND2 ASN A 87 8.680 -1.915 11.164 1.00 34.31 N ATOM 0 H ASN A 87 9.283 2.107 9.442 1.00 5.54 H new ATOM 0 HA ASN A 87 10.612 0.039 10.790 1.00 61.34 H new ATOM 0 HB2 ASN A 87 8.208 0.233 9.742 1.00 44.34 H new ATOM 0 HB3 ASN A 87 8.971 -0.346 8.275 1.00 44.34 H new ATOM 0 HD21 ASN A 87 8.604 -2.849 11.566 1.00 34.31 H new ATOM 0 HD22 ASN A 87 8.544 -1.094 11.753 1.00 34.31 H new ATOM 1345 N MET A 88 11.477 0.426 7.623 1.00 61.35 N ATOM 1346 CA MET A 88 12.501 0.091 6.639 1.00 0.24 C ATOM 1347 C MET A 88 13.785 0.870 6.906 1.00 43.14 C ATOM 1348 O MET A 88 14.885 0.383 6.643 1.00 20.44 O ATOM 1349 CB MET A 88 11.996 0.385 5.225 1.00 2.35 C ATOM 1350 CG MET A 88 11.766 1.864 4.957 1.00 25.24 C ATOM 1351 SD MET A 88 11.588 2.232 3.201 1.00 23.23 S ATOM 1352 CE MET A 88 11.140 0.620 2.561 1.00 13.25 C ATOM 0 H MET A 88 10.772 1.085 7.291 1.00 61.35 H new ATOM 0 HA MET A 88 12.718 -0.974 6.724 1.00 0.24 H new ATOM 0 HB2 MET A 88 12.717 0.001 4.503 1.00 2.35 H new ATOM 0 HB3 MET A 88 11.063 -0.155 5.062 1.00 2.35 H new ATOM 0 HG2 MET A 88 10.870 2.190 5.485 1.00 25.24 H new ATOM 0 HG3 MET A 88 12.601 2.437 5.362 1.00 25.24 H new ATOM 0 HE1 MET A 88 11.013 0.680 1.480 1.00 13.25 H new ATOM 0 HE2 MET A 88 11.928 -0.096 2.794 1.00 13.25 H new ATOM 0 HE3 MET A 88 10.206 0.293 3.019 1.00 13.25 H new ATOM 1362 N LYS A 89 13.639 2.083 7.428 1.00 52.24 N ATOM 1363 CA LYS A 89 14.787 2.930 7.730 1.00 35.05 C ATOM 1364 C LYS A 89 15.821 2.170 8.555 1.00 52.12 C ATOM 1365 O LYS A 89 17.025 2.317 8.347 1.00 64.12 O ATOM 1366 CB LYS A 89 14.337 4.183 8.486 1.00 71.40 C ATOM 1367 CG LYS A 89 15.476 5.126 8.832 1.00 20.33 C ATOM 1368 CD LYS A 89 15.509 6.326 7.901 1.00 62.31 C ATOM 1369 CE LYS A 89 14.606 7.444 8.400 1.00 64.43 C ATOM 1370 NZ LYS A 89 15.294 8.308 9.398 1.00 2.13 N ATOM 0 H LYS A 89 12.736 2.502 7.651 1.00 52.24 H new ATOM 0 HA LYS A 89 15.247 3.227 6.787 1.00 35.05 H new ATOM 0 HB2 LYS A 89 13.604 4.718 7.882 1.00 71.40 H new ATOM 0 HB3 LYS A 89 13.834 3.882 9.405 1.00 71.40 H new ATOM 0 HG2 LYS A 89 15.368 5.466 9.862 1.00 20.33 H new ATOM 0 HG3 LYS A 89 16.424 4.591 8.771 1.00 20.33 H new ATOM 0 HD2 LYS A 89 16.532 6.694 7.816 1.00 62.31 H new ATOM 0 HD3 LYS A 89 15.195 6.022 6.902 1.00 62.31 H new ATOM 0 HE2 LYS A 89 14.281 8.052 7.556 1.00 64.43 H new ATOM 0 HE3 LYS A 89 13.710 7.015 8.848 1.00 64.43 H new ATOM 0 HZ1 LYS A 89 14.646 9.058 9.714 1.00 2.13 H new ATOM 0 HZ2 LYS A 89 15.582 7.733 10.215 1.00 2.13 H new ATOM 0 HZ3 LYS A 89 16.135 8.738 8.963 1.00 2.13 H new ATOM 1384 N LYS A 90 15.343 1.357 9.490 1.00 22.54 N ATOM 1385 CA LYS A 90 16.226 0.571 10.345 1.00 74.22 C ATOM 1386 C LYS A 90 17.118 -0.343 9.511 1.00 30.22 C ATOM 1387 O LYS A 90 18.290 -0.543 9.831 1.00 71.31 O ATOM 1388 CB LYS A 90 15.405 -0.262 11.332 1.00 73.21 C ATOM 1389 CG LYS A 90 14.711 -1.453 10.693 1.00 11.22 C ATOM 1390 CD LYS A 90 15.542 -2.718 10.824 1.00 71.34 C ATOM 1391 CE LYS A 90 15.621 -3.186 12.269 1.00 63.54 C ATOM 1392 NZ LYS A 90 16.115 -4.588 12.371 1.00 3.43 N ATOM 0 H LYS A 90 14.349 1.225 9.676 1.00 22.54 H new ATOM 0 HA LYS A 90 16.861 1.261 10.901 1.00 74.22 H new ATOM 0 HB2 LYS A 90 16.060 -0.618 12.127 1.00 73.21 H new ATOM 0 HB3 LYS A 90 14.655 0.377 11.798 1.00 73.21 H new ATOM 0 HG2 LYS A 90 13.739 -1.604 11.163 1.00 11.22 H new ATOM 0 HG3 LYS A 90 14.526 -1.245 9.639 1.00 11.22 H new ATOM 0 HD2 LYS A 90 15.107 -3.506 10.209 1.00 71.34 H new ATOM 0 HD3 LYS A 90 16.547 -2.535 10.444 1.00 71.34 H new ATOM 0 HE2 LYS A 90 16.283 -2.526 12.829 1.00 63.54 H new ATOM 0 HE3 LYS A 90 14.635 -3.114 12.729 1.00 63.54 H new ATOM 0 HZ1 LYS A 90 16.155 -4.870 13.371 1.00 3.43 H new ATOM 0 HZ2 LYS A 90 15.469 -5.222 11.858 1.00 3.43 H new ATOM 0 HZ3 LYS A 90 17.066 -4.652 11.955 1.00 3.43 H new ATOM 1406 N VAL A 91 16.556 -0.895 8.440 1.00 44.30 N ATOM 1407 CA VAL A 91 17.302 -1.785 7.559 1.00 61.32 C ATOM 1408 C VAL A 91 18.305 -1.009 6.713 1.00 3.45 C ATOM 1409 O VAL A 91 19.409 -1.486 6.447 1.00 11.34 O ATOM 1410 CB VAL A 91 16.360 -2.570 6.626 1.00 23.13 C ATOM 1411 CG1 VAL A 91 14.983 -2.714 7.256 1.00 23.21 C ATOM 1412 CG2 VAL A 91 16.266 -1.890 5.269 1.00 4.51 C ATOM 0 H VAL A 91 15.587 -0.741 8.162 1.00 44.30 H new ATOM 0 HA VAL A 91 17.837 -2.487 8.199 1.00 61.32 H new ATOM 0 HB VAL A 91 16.772 -3.568 6.478 1.00 23.13 H new ATOM 0 HG11 VAL A 91 14.331 -3.271 6.583 1.00 23.21 H new ATOM 0 HG12 VAL A 91 15.070 -3.249 8.202 1.00 23.21 H new ATOM 0 HG13 VAL A 91 14.560 -1.726 7.435 1.00 23.21 H new ATOM 0 HG21 VAL A 91 15.597 -2.458 4.623 1.00 4.51 H new ATOM 0 HG22 VAL A 91 15.878 -0.879 5.395 1.00 4.51 H new ATOM 0 HG23 VAL A 91 17.256 -1.845 4.815 1.00 4.51 H new ATOM 1422 N ILE A 92 17.915 0.190 6.295 1.00 53.35 N ATOM 1423 CA ILE A 92 18.781 1.034 5.480 1.00 32.05 C ATOM 1424 C ILE A 92 19.981 1.525 6.282 1.00 24.12 C ATOM 1425 O ILE A 92 21.120 1.462 5.818 1.00 50.11 O ATOM 1426 CB ILE A 92 18.019 2.250 4.922 1.00 14.21 C ATOM 1427 CG1 ILE A 92 16.614 1.839 4.477 1.00 72.33 C ATOM 1428 CG2 ILE A 92 18.787 2.871 3.765 1.00 74.12 C ATOM 1429 CD1 ILE A 92 15.936 2.862 3.593 1.00 41.32 C ATOM 0 H ILE A 92 17.005 0.599 6.507 1.00 53.35 H new ATOM 0 HA ILE A 92 19.128 0.421 4.649 1.00 32.05 H new ATOM 0 HB ILE A 92 17.926 2.995 5.712 1.00 14.21 H new ATOM 0 HG12 ILE A 92 16.674 0.891 3.942 1.00 72.33 H new ATOM 0 HG13 ILE A 92 15.998 1.668 5.360 1.00 72.33 H new ATOM 0 HG21 ILE A 92 18.236 3.729 3.381 1.00 74.12 H new ATOM 0 HG22 ILE A 92 19.768 3.196 4.112 1.00 74.12 H new ATOM 0 HG23 ILE A 92 18.908 2.134 2.972 1.00 74.12 H new ATOM 0 HD11 ILE A 92 14.944 2.504 3.316 1.00 41.32 H new ATOM 0 HD12 ILE A 92 15.844 3.805 4.132 1.00 41.32 H new ATOM 0 HD13 ILE A 92 16.531 3.016 2.692 1.00 41.32 H new ATOM 1441 N LYS A 93 19.720 2.012 7.490 1.00 12.42 N ATOM 1442 CA LYS A 93 20.778 2.512 8.360 1.00 22.30 C ATOM 1443 C LYS A 93 21.710 1.382 8.787 1.00 71.11 C ATOM 1444 O LYS A 93 22.930 1.542 8.798 1.00 30.04 O ATOM 1445 CB LYS A 93 20.176 3.185 9.596 1.00 61.25 C ATOM 1446 CG LYS A 93 21.205 3.877 10.473 1.00 33.53 C ATOM 1447 CD LYS A 93 21.573 5.246 9.928 1.00 71.04 C ATOM 1448 CE LYS A 93 22.266 6.098 10.980 1.00 31.42 C ATOM 1449 NZ LYS A 93 21.330 6.514 12.061 1.00 31.31 N ATOM 0 H LYS A 93 18.783 2.071 7.889 1.00 12.42 H new ATOM 0 HA LYS A 93 21.357 3.246 7.800 1.00 22.30 H new ATOM 0 HB2 LYS A 93 19.433 3.916 9.276 1.00 61.25 H new ATOM 0 HB3 LYS A 93 19.651 2.435 10.188 1.00 61.25 H new ATOM 0 HG2 LYS A 93 20.811 3.981 11.484 1.00 33.53 H new ATOM 0 HG3 LYS A 93 22.100 3.259 10.541 1.00 33.53 H new ATOM 0 HD2 LYS A 93 22.227 5.131 9.064 1.00 71.04 H new ATOM 0 HD3 LYS A 93 20.673 5.755 9.582 1.00 71.04 H new ATOM 0 HE2 LYS A 93 23.095 5.538 11.413 1.00 31.42 H new ATOM 0 HE3 LYS A 93 22.692 6.983 10.508 1.00 31.42 H new ATOM 0 HZ1 LYS A 93 21.727 7.330 12.569 1.00 31.31 H new ATOM 0 HZ2 LYS A 93 20.414 6.778 11.645 1.00 31.31 H new ATOM 0 HZ3 LYS A 93 21.194 5.725 12.725 1.00 31.31 H new ATOM 1463 N ALA A 94 21.127 0.240 9.136 1.00 74.24 N ATOM 1464 CA ALA A 94 21.905 -0.917 9.559 1.00 21.34 C ATOM 1465 C ALA A 94 22.803 -1.417 8.433 1.00 61.31 C ATOM 1466 O ALA A 94 23.944 -1.819 8.665 1.00 0.52 O ATOM 1467 CB ALA A 94 20.982 -2.030 10.034 1.00 12.52 C ATOM 0 H ALA A 94 20.118 0.092 9.134 1.00 74.24 H new ATOM 0 HA ALA A 94 22.543 -0.610 10.388 1.00 21.34 H new ATOM 0 HB1 ALA A 94 21.577 -2.888 10.347 1.00 12.52 H new ATOM 0 HB2 ALA A 94 20.387 -1.675 10.875 1.00 12.52 H new ATOM 0 HB3 ALA A 94 20.320 -2.325 9.220 1.00 12.52 H new ATOM 1473 N THR A 95 22.281 -1.392 7.210 1.00 1.44 N ATOM 1474 CA THR A 95 23.035 -1.844 6.048 1.00 73.01 C ATOM 1475 C THR A 95 24.202 -0.910 5.752 1.00 3.20 C ATOM 1476 O THR A 95 25.321 -1.358 5.505 1.00 62.54 O ATOM 1477 CB THR A 95 22.138 -1.938 4.799 1.00 60.10 C ATOM 1478 OG1 THR A 95 21.072 -2.866 5.030 1.00 63.22 O ATOM 1479 CG2 THR A 95 22.944 -2.376 3.586 1.00 45.34 C ATOM 0 H THR A 95 21.339 -1.063 6.999 1.00 1.44 H new ATOM 0 HA THR A 95 23.419 -2.836 6.287 1.00 73.01 H new ATOM 0 HB THR A 95 21.723 -0.950 4.602 1.00 60.10 H new ATOM 0 HG1 THR A 95 20.283 -2.384 5.354 1.00 63.22 H new ATOM 0 HG21 THR A 95 22.290 -2.435 2.716 1.00 45.34 H new ATOM 0 HG22 THR A 95 23.736 -1.652 3.395 1.00 45.34 H new ATOM 0 HG23 THR A 95 23.385 -3.355 3.776 1.00 45.34 H new ATOM 1487 N ALA A 96 23.935 0.392 5.780 1.00 74.31 N ATOM 1488 CA ALA A 96 24.964 1.389 5.517 1.00 4.22 C ATOM 1489 C ALA A 96 26.041 1.365 6.597 1.00 33.42 C ATOM 1490 O ALA A 96 27.234 1.351 6.296 1.00 13.13 O ATOM 1491 CB ALA A 96 24.344 2.775 5.419 1.00 11.12 C ATOM 0 H ALA A 96 23.014 0.780 5.982 1.00 74.31 H new ATOM 0 HA ALA A 96 25.435 1.145 4.565 1.00 4.22 H new ATOM 0 HB1 ALA A 96 25.125 3.510 5.222 1.00 11.12 H new ATOM 0 HB2 ALA A 96 23.617 2.792 4.607 1.00 11.12 H new ATOM 0 HB3 ALA A 96 23.845 3.018 6.357 1.00 11.12 H new ATOM 1497 N GLU A 97 25.611 1.360 7.855 1.00 35.30 N ATOM 1498 CA GLU A 97 26.539 1.338 8.979 1.00 1.41 C ATOM 1499 C GLU A 97 27.313 0.024 9.021 1.00 73.31 C ATOM 1500 O GLU A 97 28.469 -0.017 9.441 1.00 44.52 O ATOM 1501 CB GLU A 97 25.786 1.542 10.295 1.00 31.44 C ATOM 1502 CG GLU A 97 25.167 0.268 10.846 1.00 64.42 C ATOM 1503 CD GLU A 97 26.133 -0.526 11.704 1.00 62.31 C ATOM 1504 OE1 GLU A 97 26.839 0.092 12.528 1.00 23.31 O ATOM 1505 OE2 GLU A 97 26.183 -1.765 11.551 1.00 3.45 O ATOM 0 H GLU A 97 24.626 1.371 8.121 1.00 35.30 H new ATOM 0 HA GLU A 97 27.250 2.153 8.846 1.00 1.41 H new ATOM 0 HB2 GLU A 97 26.472 1.953 11.036 1.00 31.44 H new ATOM 0 HB3 GLU A 97 25.000 2.282 10.143 1.00 31.44 H new ATOM 0 HG2 GLU A 97 24.287 0.522 11.437 1.00 64.42 H new ATOM 0 HG3 GLU A 97 24.827 -0.354 10.018 1.00 64.42 H new ATOM 1512 N LYS A 98 26.666 -1.051 8.583 1.00 55.11 N ATOM 1513 CA LYS A 98 27.291 -2.368 8.569 1.00 75.24 C ATOM 1514 C LYS A 98 28.573 -2.353 7.742 1.00 33.15 C ATOM 1515 O LYS A 98 29.558 -3.000 8.096 1.00 24.51 O ATOM 1516 CB LYS A 98 26.321 -3.409 8.006 1.00 74.44 C ATOM 1517 CG LYS A 98 25.563 -4.176 9.076 1.00 54.14 C ATOM 1518 CD LYS A 98 26.250 -5.488 9.415 1.00 42.23 C ATOM 1519 CE LYS A 98 26.973 -5.409 10.751 1.00 73.32 C ATOM 1520 NZ LYS A 98 28.452 -5.411 10.582 1.00 3.53 N ATOM 0 H LYS A 98 25.708 -1.036 8.233 1.00 55.11 H new ATOM 0 HA LYS A 98 27.544 -2.634 9.595 1.00 75.24 H new ATOM 0 HB2 LYS A 98 25.605 -2.910 7.353 1.00 74.44 H new ATOM 0 HB3 LYS A 98 26.877 -4.115 7.390 1.00 74.44 H new ATOM 0 HG2 LYS A 98 25.482 -3.564 9.974 1.00 54.14 H new ATOM 0 HG3 LYS A 98 24.548 -4.374 8.732 1.00 54.14 H new ATOM 0 HD2 LYS A 98 25.512 -6.289 9.446 1.00 42.23 H new ATOM 0 HD3 LYS A 98 26.962 -5.741 8.629 1.00 42.23 H new ATOM 0 HE2 LYS A 98 26.669 -4.503 11.276 1.00 73.32 H new ATOM 0 HE3 LYS A 98 26.678 -6.253 11.374 1.00 73.32 H new ATOM 0 HZ1 LYS A 98 28.908 -5.493 11.513 1.00 3.53 H new ATOM 0 HZ2 LYS A 98 28.732 -6.217 9.987 1.00 3.53 H new ATOM 0 HZ3 LYS A 98 28.751 -4.525 10.127 1.00 3.53 H new ATOM 1534 N PHE A 99 28.553 -1.609 6.641 1.00 30.34 N ATOM 1535 CA PHE A 99 29.714 -1.510 5.765 1.00 5.43 C ATOM 1536 C PHE A 99 30.902 -0.899 6.504 1.00 52.54 C ATOM 1537 O PHE A 99 32.055 -1.238 6.238 1.00 40.05 O ATOM 1538 CB PHE A 99 29.379 -0.669 4.532 1.00 52.31 C ATOM 1539 CG PHE A 99 28.871 -1.479 3.374 1.00 61.33 C ATOM 1540 CD1 PHE A 99 29.741 -2.240 2.609 1.00 41.51 C ATOM 1541 CD2 PHE A 99 27.524 -1.481 3.050 1.00 50.44 C ATOM 1542 CE1 PHE A 99 29.277 -2.987 1.543 1.00 42.13 C ATOM 1543 CE2 PHE A 99 27.054 -2.226 1.985 1.00 63.20 C ATOM 1544 CZ PHE A 99 27.932 -2.979 1.230 1.00 61.32 C ATOM 0 H PHE A 99 27.746 -1.066 6.335 1.00 30.34 H new ATOM 0 HA PHE A 99 29.985 -2.517 5.447 1.00 5.43 H new ATOM 0 HB2 PHE A 99 28.629 0.074 4.802 1.00 52.31 H new ATOM 0 HB3 PHE A 99 30.270 -0.124 4.221 1.00 52.31 H new ATOM 0 HD1 PHE A 99 30.794 -2.249 2.849 1.00 41.51 H new ATOM 0 HD2 PHE A 99 26.833 -0.894 3.637 1.00 50.44 H new ATOM 0 HE1 PHE A 99 29.965 -3.576 0.955 1.00 42.13 H new ATOM 0 HE2 PHE A 99 26.001 -2.219 1.743 1.00 63.20 H new ATOM 0 HZ PHE A 99 27.567 -3.561 0.396 1.00 61.32 H new ATOM 1554 N LYS A 100 30.611 0.006 7.433 1.00 62.24 N ATOM 1555 CA LYS A 100 31.653 0.665 8.211 1.00 14.43 C ATOM 1556 C LYS A 100 32.453 -0.350 9.020 1.00 61.50 C ATOM 1557 O LYS A 100 33.633 -0.144 9.300 1.00 40.51 O ATOM 1558 CB LYS A 100 31.036 1.706 9.148 1.00 13.50 C ATOM 1559 CG LYS A 100 32.004 2.800 9.564 1.00 22.03 C ATOM 1560 CD LYS A 100 31.311 4.148 9.669 1.00 4.32 C ATOM 1561 CE LYS A 100 31.883 5.147 8.675 1.00 51.41 C ATOM 1562 NZ LYS A 100 32.042 6.500 9.277 1.00 24.12 N ATOM 0 H LYS A 100 29.662 0.299 7.665 1.00 62.24 H new ATOM 0 HA LYS A 100 32.329 1.164 7.517 1.00 14.43 H new ATOM 0 HB2 LYS A 100 30.176 2.161 8.656 1.00 13.50 H new ATOM 0 HB3 LYS A 100 30.663 1.204 10.041 1.00 13.50 H new ATOM 0 HG2 LYS A 100 32.452 2.545 10.524 1.00 22.03 H new ATOM 0 HG3 LYS A 100 32.816 2.863 8.840 1.00 22.03 H new ATOM 0 HD2 LYS A 100 30.243 4.024 9.489 1.00 4.32 H new ATOM 0 HD3 LYS A 100 31.421 4.537 10.681 1.00 4.32 H new ATOM 0 HE2 LYS A 100 32.850 4.792 8.319 1.00 51.41 H new ATOM 0 HE3 LYS A 100 31.228 5.211 7.806 1.00 51.41 H new ATOM 0 HZ1 LYS A 100 32.891 6.956 8.886 1.00 24.12 H new ATOM 0 HZ2 LYS A 100 31.206 7.078 9.058 1.00 24.12 H new ATOM 0 HZ3 LYS A 100 32.141 6.412 10.309 1.00 24.12 H new ATOM 1576 N ASN A 101 31.803 -1.449 9.391 1.00 44.01 N ATOM 1577 CA ASN A 101 32.456 -2.498 10.167 1.00 53.43 C ATOM 1578 C ASN A 101 33.613 -3.113 9.385 1.00 13.41 C ATOM 1579 O ASN A 101 34.477 -3.779 9.955 1.00 3.40 O ATOM 1580 CB ASN A 101 31.447 -3.584 10.545 1.00 54.22 C ATOM 1581 CG ASN A 101 30.305 -3.045 11.385 1.00 53.12 C ATOM 1582 OD1 ASN A 101 29.676 -2.047 11.031 1.00 60.42 O ATOM 1583 ND2 ASN A 101 30.032 -3.704 12.505 1.00 73.34 N ATOM 0 H ASN A 101 30.826 -1.636 9.167 1.00 44.01 H new ATOM 0 HA ASN A 101 32.854 -2.048 11.077 1.00 53.43 H new ATOM 0 HB2 ASN A 101 31.046 -4.035 9.637 1.00 54.22 H new ATOM 0 HB3 ASN A 101 31.957 -4.375 11.095 1.00 54.22 H new ATOM 0 HD21 ASN A 101 29.275 -3.388 13.111 1.00 73.34 H new ATOM 0 HD22 ASN A 101 30.579 -4.526 12.759 1.00 73.34 H new ATOM 1590 N LYS A 102 33.623 -2.884 8.076 1.00 32.32 N ATOM 1591 CA LYS A 102 34.674 -3.413 7.215 1.00 74.32 C ATOM 1592 C LYS A 102 35.665 -2.319 6.831 1.00 30.35 C ATOM 1593 O LYS A 102 36.697 -2.590 6.220 1.00 64.32 O ATOM 1594 CB LYS A 102 34.065 -4.030 5.953 1.00 2.12 C ATOM 1595 CG LYS A 102 34.924 -5.118 5.333 1.00 63.01 C ATOM 1596 CD LYS A 102 34.915 -6.383 6.174 1.00 22.32 C ATOM 1597 CE LYS A 102 36.230 -7.139 6.059 1.00 42.20 C ATOM 1598 NZ LYS A 102 36.555 -7.474 4.645 1.00 61.30 N ATOM 0 H LYS A 102 32.915 -2.335 7.588 1.00 32.32 H new ATOM 0 HA LYS A 102 35.209 -4.185 7.769 1.00 74.32 H new ATOM 0 HB2 LYS A 102 33.087 -4.446 6.197 1.00 2.12 H new ATOM 0 HB3 LYS A 102 33.902 -3.243 5.216 1.00 2.12 H new ATOM 0 HG2 LYS A 102 34.559 -5.344 4.331 1.00 63.01 H new ATOM 0 HG3 LYS A 102 35.947 -4.758 5.226 1.00 63.01 H new ATOM 0 HD2 LYS A 102 34.732 -6.126 7.217 1.00 22.32 H new ATOM 0 HD3 LYS A 102 34.095 -7.027 5.856 1.00 22.32 H new ATOM 0 HE2 LYS A 102 37.033 -6.537 6.483 1.00 42.20 H new ATOM 0 HE3 LYS A 102 36.174 -8.056 6.646 1.00 42.20 H new ATOM 0 HZ1 LYS A 102 37.191 -8.296 4.620 1.00 61.30 H new ATOM 0 HZ2 LYS A 102 35.679 -7.698 4.131 1.00 61.30 H new ATOM 0 HZ3 LYS A 102 37.022 -6.662 4.194 1.00 61.30 H new ATOM 1612 N GLY A 103 35.344 -1.082 7.197 1.00 44.43 N ATOM 1613 CA GLY A 103 36.218 0.034 6.883 1.00 0.15 C ATOM 1614 C GLY A 103 35.724 0.843 5.700 1.00 22.33 C ATOM 1615 O GLY A 103 36.365 0.873 4.649 1.00 12.53 O ATOM 0 H GLY A 103 34.495 -0.833 7.705 1.00 44.43 H new ATOM 0 HA2 GLY A 103 36.300 0.684 7.754 1.00 0.15 H new ATOM 0 HA3 GLY A 103 37.219 -0.341 6.670 1.00 0.15 H new ATOM 1619 N PHE A 104 34.581 1.498 5.870 1.00 53.34 N ATOM 1620 CA PHE A 104 34.000 2.309 4.806 1.00 54.11 C ATOM 1621 C PHE A 104 33.146 3.434 5.384 1.00 40.00 C ATOM 1622 O PHE A 104 32.656 3.342 6.510 1.00 74.45 O ATOM 1623 CB PHE A 104 33.153 1.437 3.876 1.00 11.41 C ATOM 1624 CG PHE A 104 33.948 0.398 3.140 1.00 65.05 C ATOM 1625 CD1 PHE A 104 34.519 0.686 1.910 1.00 73.40 C ATOM 1626 CD2 PHE A 104 34.126 -0.867 3.677 1.00 54.05 C ATOM 1627 CE1 PHE A 104 35.252 -0.269 1.230 1.00 52.43 C ATOM 1628 CE2 PHE A 104 34.858 -1.825 3.001 1.00 11.11 C ATOM 1629 CZ PHE A 104 35.421 -1.526 1.776 1.00 54.23 C ATOM 0 H PHE A 104 34.039 1.483 6.734 1.00 53.34 H new ATOM 0 HA PHE A 104 34.816 2.752 4.235 1.00 54.11 H new ATOM 0 HB2 PHE A 104 32.378 0.943 4.461 1.00 11.41 H new ATOM 0 HB3 PHE A 104 32.647 2.076 3.152 1.00 11.41 H new ATOM 0 HD1 PHE A 104 34.390 1.667 1.478 1.00 73.40 H new ATOM 0 HD2 PHE A 104 33.688 -1.107 4.634 1.00 54.05 H new ATOM 0 HE1 PHE A 104 35.692 -0.032 0.273 1.00 52.43 H new ATOM 0 HE2 PHE A 104 34.990 -2.807 3.431 1.00 11.11 H new ATOM 0 HZ PHE A 104 35.992 -2.274 1.246 1.00 54.23 H new ATOM 1639 N LYS A 105 32.973 4.497 4.606 1.00 41.02 N ATOM 1640 CA LYS A 105 32.179 5.641 5.038 1.00 71.03 C ATOM 1641 C LYS A 105 30.742 5.526 4.538 1.00 23.31 C ATOM 1642 O LYS A 105 30.503 5.190 3.378 1.00 11.11 O ATOM 1643 CB LYS A 105 32.804 6.943 4.530 1.00 33.51 C ATOM 1644 CG LYS A 105 32.018 8.185 4.914 1.00 24.45 C ATOM 1645 CD LYS A 105 32.135 8.480 6.400 1.00 12.24 C ATOM 1646 CE LYS A 105 33.340 9.358 6.701 1.00 13.32 C ATOM 1647 NZ LYS A 105 33.175 10.733 6.152 1.00 23.14 N ATOM 0 H LYS A 105 33.372 4.590 3.672 1.00 41.02 H new ATOM 0 HA LYS A 105 32.166 5.652 6.128 1.00 71.03 H new ATOM 0 HB2 LYS A 105 33.817 7.028 4.924 1.00 33.51 H new ATOM 0 HB3 LYS A 105 32.887 6.897 3.444 1.00 33.51 H new ATOM 0 HG2 LYS A 105 32.382 9.039 4.343 1.00 24.45 H new ATOM 0 HG3 LYS A 105 30.969 8.049 4.650 1.00 24.45 H new ATOM 0 HD2 LYS A 105 31.228 8.975 6.746 1.00 12.24 H new ATOM 0 HD3 LYS A 105 32.218 7.544 6.952 1.00 12.24 H new ATOM 0 HE2 LYS A 105 33.489 9.413 7.779 1.00 13.32 H new ATOM 0 HE3 LYS A 105 34.236 8.903 6.278 1.00 13.32 H new ATOM 0 HZ1 LYS A 105 33.771 11.395 6.689 1.00 23.14 H new ATOM 0 HZ2 LYS A 105 33.460 10.744 5.152 1.00 23.14 H new ATOM 0 HZ3 LYS A 105 32.179 11.021 6.231 1.00 23.14 H new ATOM 1661 N VAL A 106 29.789 5.807 5.421 1.00 41.42 N ATOM 1662 CA VAL A 106 28.376 5.738 5.068 1.00 21.24 C ATOM 1663 C VAL A 106 27.658 7.037 5.416 1.00 3.13 C ATOM 1664 O VAL A 106 27.829 7.578 6.508 1.00 34.03 O ATOM 1665 CB VAL A 106 27.675 4.569 5.786 1.00 25.03 C ATOM 1666 CG1 VAL A 106 28.615 3.920 6.791 1.00 34.53 C ATOM 1667 CG2 VAL A 106 26.402 5.049 6.467 1.00 62.54 C ATOM 0 H VAL A 106 29.970 6.084 6.386 1.00 41.42 H new ATOM 0 HA VAL A 106 28.326 5.576 3.991 1.00 21.24 H new ATOM 0 HB VAL A 106 27.402 3.820 5.043 1.00 25.03 H new ATOM 0 HG11 VAL A 106 28.103 3.096 7.289 1.00 34.53 H new ATOM 0 HG12 VAL A 106 29.495 3.540 6.273 1.00 34.53 H new ATOM 0 HG13 VAL A 106 28.921 4.658 7.532 1.00 34.53 H new ATOM 0 HG21 VAL A 106 25.920 4.210 6.969 1.00 62.54 H new ATOM 0 HG22 VAL A 106 26.649 5.817 7.200 1.00 62.54 H new ATOM 0 HG23 VAL A 106 25.724 5.464 5.721 1.00 62.54 H new ATOM 1677 N GLU A 107 26.855 7.532 4.480 1.00 72.00 N ATOM 1678 CA GLU A 107 26.111 8.769 4.688 1.00 20.24 C ATOM 1679 C GLU A 107 24.636 8.581 4.345 1.00 30.04 C ATOM 1680 O GLU A 107 24.287 7.808 3.452 1.00 22.04 O ATOM 1681 CB GLU A 107 26.704 9.896 3.840 1.00 72.42 C ATOM 1682 CG GLU A 107 25.844 11.148 3.804 1.00 31.24 C ATOM 1683 CD GLU A 107 26.654 12.405 3.554 1.00 71.14 C ATOM 1684 OE1 GLU A 107 27.697 12.312 2.873 1.00 21.32 O ATOM 1685 OE2 GLU A 107 26.245 13.481 4.037 1.00 3.14 O ATOM 0 H GLU A 107 26.703 7.096 3.571 1.00 72.00 H new ATOM 0 HA GLU A 107 26.190 9.037 5.742 1.00 20.24 H new ATOM 0 HB2 GLU A 107 27.689 10.153 4.230 1.00 72.42 H new ATOM 0 HB3 GLU A 107 26.849 9.535 2.822 1.00 72.42 H new ATOM 0 HG2 GLU A 107 25.091 11.044 3.023 1.00 31.24 H new ATOM 0 HG3 GLU A 107 25.311 11.246 4.750 1.00 31.24 H new ATOM 1692 N THR A 108 23.772 9.294 5.062 1.00 23.43 N ATOM 1693 CA THR A 108 22.335 9.205 4.836 1.00 3.23 C ATOM 1694 C THR A 108 21.757 10.559 4.441 1.00 75.22 C ATOM 1695 O THR A 108 22.046 11.576 5.070 1.00 3.44 O ATOM 1696 CB THR A 108 21.600 8.691 6.089 1.00 42.53 C ATOM 1697 OG1 THR A 108 21.800 9.597 7.180 1.00 51.12 O ATOM 1698 CG2 THR A 108 22.095 7.306 6.476 1.00 35.11 C ATOM 0 H THR A 108 24.043 9.939 5.804 1.00 23.43 H new ATOM 0 HA THR A 108 22.186 8.497 4.021 1.00 3.23 H new ATOM 0 HB THR A 108 20.536 8.628 5.860 1.00 42.53 H new ATOM 0 HG1 THR A 108 21.328 9.264 7.972 1.00 51.12 H new ATOM 0 HG21 THR A 108 21.562 6.964 7.363 1.00 35.11 H new ATOM 0 HG22 THR A 108 21.915 6.613 5.654 1.00 35.11 H new ATOM 0 HG23 THR A 108 23.163 7.348 6.688 1.00 35.11 H new ATOM 1706 N ASP A 109 20.937 10.564 3.395 1.00 21.13 N ATOM 1707 CA ASP A 109 20.316 11.793 2.917 1.00 53.33 C ATOM 1708 C ASP A 109 18.838 11.571 2.609 1.00 1.43 C ATOM 1709 O ASP A 109 18.454 10.527 2.084 1.00 54.23 O ATOM 1710 CB ASP A 109 21.038 12.303 1.669 1.00 61.24 C ATOM 1711 CG ASP A 109 21.302 13.795 1.721 1.00 71.21 C ATOM 1712 OD1 ASP A 109 21.948 14.250 2.688 1.00 30.02 O ATOM 1713 OD2 ASP A 109 20.863 14.507 0.794 1.00 1.32 O ATOM 0 H ASP A 109 20.687 9.731 2.863 1.00 21.13 H new ATOM 0 HA ASP A 109 20.396 12.542 3.705 1.00 53.33 H new ATOM 0 HB2 ASP A 109 21.984 11.773 1.559 1.00 61.24 H new ATOM 0 HB3 ASP A 109 20.439 12.074 0.787 1.00 61.24 H new ATOM 1718 N MET A 110 18.015 12.560 2.942 1.00 53.21 N ATOM 1719 CA MET A 110 16.579 12.472 2.701 1.00 1.40 C ATOM 1720 C MET A 110 16.128 13.541 1.710 1.00 32.31 C ATOM 1721 O MET A 110 15.082 13.409 1.072 1.00 24.24 O ATOM 1722 CB MET A 110 15.810 12.621 4.015 1.00 12.40 C ATOM 1723 CG MET A 110 16.080 13.934 4.732 1.00 41.31 C ATOM 1724 SD MET A 110 14.706 14.450 5.779 1.00 75.13 S ATOM 1725 CE MET A 110 13.420 14.690 4.555 1.00 13.01 C ATOM 0 H MET A 110 18.317 13.431 3.379 1.00 53.21 H new ATOM 0 HA MET A 110 16.367 11.492 2.273 1.00 1.40 H new ATOM 0 HB2 MET A 110 14.742 12.540 3.813 1.00 12.40 H new ATOM 0 HB3 MET A 110 16.073 11.795 4.676 1.00 12.40 H new ATOM 0 HG2 MET A 110 16.978 13.832 5.342 1.00 41.31 H new ATOM 0 HG3 MET A 110 16.282 14.711 3.995 1.00 41.31 H new ATOM 0 HE1 MET A 110 12.956 15.666 4.701 1.00 13.01 H new ATOM 0 HE2 MET A 110 13.854 14.640 3.556 1.00 13.01 H new ATOM 0 HE3 MET A 110 12.666 13.910 4.662 1.00 13.01 H new TER 1735 MET A 110