USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 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 73 CYS SG : rot 180:sc= -0.196 USER MOD Set 1.2: A 90 SER OG : rot 157:sc= 0.0405 USER MOD Set 2.1: A 69 CYS SG : rot -112:sc= 1.13 USER MOD Set 2.2: A 78 GLN : amide:sc= -0.176 K(o=0.96,f=-1.2!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -156:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 ASN : amide:sc= -0.0743 X(o=-0.074,f=0.035) USER MOD Set 4.1: A 32 CYS SG : rot -135:sc= -1.46! USER MOD Set 4.2: A 35 CYS SG : rot 106:sc= 0.802! USER MOD Set 5.1: A 1 MET N :NH3+ -144:sc= -0.0187 (180deg=-0.0787) USER MOD Set 5.2: A 46 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 12 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.15) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -0.429 K(o=-0.43,f=-5.1!) USER MOD Single : A 44 SER OG : rot -130:sc= 1.1 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0749 USER MOD Single : A 63 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1) USER MOD Single : A 67 SER OG : rot 89:sc= 0.639 USER MOD Single : A 72 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.41) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 76 THR OG1 : rot 51:sc= 0.655 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0423) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= 0.62 (180deg=0.61) USER MOD Single : A 93 ASN : amide:sc= -0.888 K(o=-0.89,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.102) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 93:sc= 0.178 USER MOD Single : A 102 ASN : amide:sc= -0.0585 K(o=-0.058,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.146 -0.467 11.268 1.00 2.41 N ATOM 2 CA MET A 1 -6.256 -1.496 10.195 1.00 0.44 C ATOM 3 C MET A 1 -4.935 -1.572 9.425 1.00 0.42 C ATOM 4 O MET A 1 -4.446 -2.645 9.132 1.00 0.57 O ATOM 5 CB MET A 1 -7.385 -1.145 9.226 1.00 1.91 C ATOM 6 CG MET A 1 -8.579 -2.061 9.498 1.00 2.70 C ATOM 7 SD MET A 1 -8.375 -3.823 9.141 1.00 3.79 S ATOM 8 CE MET A 1 -10.134 -4.246 9.072 1.00 5.24 C ATOM 0 H1 MET A 1 -6.676 -0.781 12.106 1.00 2.41 H new ATOM 0 H2 MET A 1 -5.146 -0.335 11.521 1.00 2.41 H new ATOM 0 H3 MET A 1 -6.539 0.434 10.927 1.00 2.41 H new ATOM 0 HA MET A 1 -6.475 -2.459 10.656 1.00 0.44 H new ATOM 0 HB2 MET A 1 -7.676 -0.102 9.349 1.00 1.91 H new ATOM 0 HB3 MET A 1 -7.047 -1.263 8.196 1.00 1.91 H new ATOM 0 HG2 MET A 1 -8.849 -1.959 10.549 1.00 2.70 H new ATOM 0 HG3 MET A 1 -9.424 -1.695 8.915 1.00 2.70 H new ATOM 0 HE1 MET A 1 -10.244 -5.309 8.859 1.00 5.24 H new ATOM 0 HE2 MET A 1 -10.601 -4.018 10.030 1.00 5.24 H new ATOM 0 HE3 MET A 1 -10.617 -3.666 8.286 1.00 5.24 H new ATOM 20 N VAL A 2 -4.383 -0.431 9.115 1.00 0.26 N ATOM 21 CA VAL A 2 -3.094 -0.421 8.367 1.00 0.24 C ATOM 22 C VAL A 2 -2.092 -1.368 9.041 1.00 0.25 C ATOM 23 O VAL A 2 -2.120 -1.549 10.242 1.00 0.29 O ATOM 24 CB VAL A 2 -2.533 0.998 8.366 1.00 0.16 C ATOM 25 CG1 VAL A 2 -1.357 1.074 7.390 1.00 0.12 C ATOM 26 CG2 VAL A 2 -3.625 1.968 7.914 1.00 0.26 C ATOM 0 H VAL A 2 -4.764 0.487 9.345 1.00 0.26 H new ATOM 0 HA VAL A 2 -3.263 -0.754 7.343 1.00 0.24 H new ATOM 0 HB VAL A 2 -2.196 1.262 9.368 1.00 0.16 H new ATOM 0 HG11 VAL A 2 -0.953 2.086 7.386 1.00 0.12 H new ATOM 0 HG12 VAL A 2 -0.581 0.374 7.700 1.00 0.12 H new ATOM 0 HG13 VAL A 2 -1.699 0.816 6.388 1.00 0.12 H new ATOM 0 HG21 VAL A 2 -3.231 2.984 7.911 1.00 0.26 H new ATOM 0 HG22 VAL A 2 -3.954 1.703 6.909 1.00 0.26 H new ATOM 0 HG23 VAL A 2 -4.471 1.909 8.599 1.00 0.26 H new ATOM 36 N LYS A 3 -1.230 -1.951 8.253 1.00 0.27 N ATOM 37 CA LYS A 3 -0.220 -2.887 8.835 1.00 0.34 C ATOM 38 C LYS A 3 1.112 -2.758 8.090 1.00 0.18 C ATOM 39 O LYS A 3 1.147 -2.721 6.877 1.00 0.39 O ATOM 40 CB LYS A 3 -0.738 -4.320 8.713 1.00 0.57 C ATOM 41 CG LYS A 3 0.152 -5.251 9.545 1.00 0.65 C ATOM 42 CD LYS A 3 -0.552 -5.571 10.867 1.00 1.92 C ATOM 43 CE LYS A 3 0.349 -6.474 11.714 1.00 2.38 C ATOM 44 NZ LYS A 3 0.203 -7.897 11.296 1.00 1.76 N ATOM 0 H LYS A 3 -1.179 -1.823 7.242 1.00 0.27 H new ATOM 0 HA LYS A 3 -0.061 -2.638 9.884 1.00 0.34 H new ATOM 0 HB2 LYS A 3 -1.770 -4.377 9.060 1.00 0.57 H new ATOM 0 HB3 LYS A 3 -0.736 -4.633 7.669 1.00 0.57 H new ATOM 0 HG2 LYS A 3 0.353 -6.170 8.994 1.00 0.65 H new ATOM 0 HG3 LYS A 3 1.115 -4.778 9.737 1.00 0.65 H new ATOM 0 HD2 LYS A 3 -0.774 -4.650 11.406 1.00 1.92 H new ATOM 0 HD3 LYS A 3 -1.504 -6.065 10.675 1.00 1.92 H new ATOM 0 HE2 LYS A 3 1.388 -6.163 11.608 1.00 2.38 H new ATOM 0 HE3 LYS A 3 0.091 -6.370 12.768 1.00 2.38 H new ATOM 0 HZ1 LYS A 3 0.821 -8.496 11.880 1.00 1.76 H new ATOM 0 HZ2 LYS A 3 -0.786 -8.195 11.419 1.00 1.76 H new ATOM 0 HZ3 LYS A 3 0.472 -7.994 10.296 1.00 1.76 H new ATOM 58 N GLN A 4 2.182 -2.693 8.836 1.00 0.30 N ATOM 59 CA GLN A 4 3.518 -2.567 8.186 1.00 0.20 C ATOM 60 C GLN A 4 4.110 -3.954 7.920 1.00 0.12 C ATOM 61 O GLN A 4 4.155 -4.793 8.798 1.00 0.35 O ATOM 62 CB GLN A 4 4.453 -1.783 9.106 1.00 0.42 C ATOM 63 CG GLN A 4 5.820 -1.647 8.433 1.00 0.47 C ATOM 64 CD GLN A 4 6.262 -0.183 8.473 1.00 1.21 C ATOM 65 OE1 GLN A 4 5.559 0.701 8.026 1.00 2.28 O ATOM 66 NE2 GLN A 4 7.417 0.116 8.998 1.00 1.35 N ATOM 0 H GLN A 4 2.190 -2.721 9.856 1.00 0.30 H new ATOM 0 HA GLN A 4 3.406 -2.043 7.237 1.00 0.20 H new ATOM 0 HB2 GLN A 4 4.037 -0.797 9.314 1.00 0.42 H new ATOM 0 HB3 GLN A 4 4.554 -2.294 10.063 1.00 0.42 H new ATOM 0 HG2 GLN A 4 6.552 -2.274 8.942 1.00 0.47 H new ATOM 0 HG3 GLN A 4 5.766 -1.994 7.401 1.00 0.47 H new ATOM 0 HE21 GLN A 4 8.012 -0.622 9.375 1.00 1.35 H new ATOM 0 HE22 GLN A 4 7.726 1.088 9.032 1.00 1.35 H new ATOM 75 N ILE A 5 4.551 -4.168 6.709 1.00 0.24 N ATOM 76 CA ILE A 5 5.145 -5.495 6.369 1.00 0.31 C ATOM 77 C ILE A 5 6.482 -5.670 7.103 1.00 0.49 C ATOM 78 O ILE A 5 6.892 -4.809 7.856 1.00 0.66 O ATOM 79 CB ILE A 5 5.379 -5.562 4.851 1.00 0.12 C ATOM 80 CG1 ILE A 5 4.088 -5.145 4.115 1.00 0.29 C ATOM 81 CG2 ILE A 5 5.787 -6.995 4.442 1.00 0.16 C ATOM 82 CD1 ILE A 5 2.902 -5.982 4.612 1.00 0.45 C ATOM 0 H ILE A 5 4.527 -3.490 5.947 1.00 0.24 H new ATOM 0 HA ILE A 5 4.465 -6.290 6.675 1.00 0.31 H new ATOM 0 HB ILE A 5 6.184 -4.880 4.578 1.00 0.12 H new ATOM 0 HG12 ILE A 5 3.891 -4.086 4.282 1.00 0.29 H new ATOM 0 HG13 ILE A 5 4.213 -5.280 3.041 1.00 0.29 H new ATOM 0 HG21 ILE A 5 5.951 -7.033 3.365 1.00 0.16 H new ATOM 0 HG22 ILE A 5 6.705 -7.273 4.959 1.00 0.16 H new ATOM 0 HG23 ILE A 5 4.993 -7.691 4.713 1.00 0.16 H new ATOM 0 HD11 ILE A 5 1.997 -5.679 4.086 1.00 0.45 H new ATOM 0 HD12 ILE A 5 3.096 -7.037 4.421 1.00 0.45 H new ATOM 0 HD13 ILE A 5 2.769 -5.825 5.682 1.00 0.45 H new ATOM 94 N GLU A 6 7.129 -6.783 6.869 1.00 0.53 N ATOM 95 CA GLU A 6 8.440 -7.033 7.542 1.00 0.76 C ATOM 96 C GLU A 6 9.432 -7.653 6.552 1.00 0.56 C ATOM 97 O GLU A 6 10.566 -7.225 6.455 1.00 0.51 O ATOM 98 CB GLU A 6 8.225 -7.992 8.713 1.00 1.08 C ATOM 99 CG GLU A 6 7.044 -7.504 9.554 1.00 1.92 C ATOM 100 CD GLU A 6 7.023 -8.261 10.885 1.00 2.00 C ATOM 101 OE1 GLU A 6 7.035 -9.479 10.815 1.00 2.36 O ATOM 102 OE2 GLU A 6 6.997 -7.578 11.894 1.00 2.39 O ATOM 0 H GLU A 6 6.810 -7.525 6.246 1.00 0.53 H new ATOM 0 HA GLU A 6 8.845 -6.088 7.903 1.00 0.76 H new ATOM 0 HB2 GLU A 6 8.032 -8.999 8.343 1.00 1.08 H new ATOM 0 HB3 GLU A 6 9.125 -8.045 9.325 1.00 1.08 H new ATOM 0 HG2 GLU A 6 7.129 -6.432 9.733 1.00 1.92 H new ATOM 0 HG3 GLU A 6 6.109 -7.664 9.017 1.00 1.92 H new ATOM 109 N SER A 7 8.983 -8.650 5.837 1.00 0.48 N ATOM 110 CA SER A 7 9.887 -9.310 4.849 1.00 0.29 C ATOM 111 C SER A 7 9.067 -9.927 3.710 1.00 0.30 C ATOM 112 O SER A 7 7.886 -9.669 3.581 1.00 0.30 O ATOM 113 CB SER A 7 10.684 -10.405 5.556 1.00 0.20 C ATOM 114 OG SER A 7 9.693 -11.197 6.196 1.00 0.36 O ATOM 0 H SER A 7 8.039 -9.033 5.892 1.00 0.48 H new ATOM 0 HA SER A 7 10.566 -8.567 4.430 1.00 0.29 H new ATOM 0 HB2 SER A 7 11.268 -10.993 4.848 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.385 -9.985 6.277 1.00 0.20 H new ATOM 0 HG SER A 7 10.124 -11.933 6.678 1.00 0.36 H new ATOM 120 N LYS A 8 9.713 -10.730 2.904 1.00 0.37 N ATOM 121 CA LYS A 8 8.987 -11.372 1.767 1.00 0.43 C ATOM 122 C LYS A 8 7.988 -12.401 2.290 1.00 0.36 C ATOM 123 O LYS A 8 6.816 -12.357 1.971 1.00 0.27 O ATOM 124 CB LYS A 8 9.998 -12.063 0.853 1.00 0.63 C ATOM 125 CG LYS A 8 9.270 -12.627 -0.371 1.00 0.67 C ATOM 126 CD LYS A 8 10.297 -13.232 -1.332 1.00 0.78 C ATOM 127 CE LYS A 8 9.787 -14.588 -1.828 1.00 1.04 C ATOM 128 NZ LYS A 8 10.747 -15.184 -2.801 1.00 1.48 N ATOM 0 H LYS A 8 10.702 -10.967 2.982 1.00 0.37 H new ATOM 0 HA LYS A 8 8.445 -10.607 1.212 1.00 0.43 H new ATOM 0 HB2 LYS A 8 10.766 -11.355 0.540 1.00 0.63 H new ATOM 0 HB3 LYS A 8 10.504 -12.865 1.391 1.00 0.63 H new ATOM 0 HG2 LYS A 8 8.550 -13.386 -0.064 1.00 0.67 H new ATOM 0 HG3 LYS A 8 8.707 -11.838 -0.870 1.00 0.67 H new ATOM 0 HD2 LYS A 8 10.462 -12.562 -2.176 1.00 0.78 H new ATOM 0 HD3 LYS A 8 11.256 -13.353 -0.829 1.00 0.78 H new ATOM 0 HE2 LYS A 8 9.651 -15.263 -0.983 1.00 1.04 H new ATOM 0 HE3 LYS A 8 8.812 -14.466 -2.299 1.00 1.04 H new ATOM 0 HZ1 LYS A 8 10.385 -16.103 -3.127 1.00 1.48 H new ATOM 0 HZ2 LYS A 8 10.857 -14.546 -3.615 1.00 1.48 H new ATOM 0 HZ3 LYS A 8 11.670 -15.319 -2.340 1.00 1.48 H new ATOM 142 N THR A 9 8.475 -13.302 3.079 1.00 0.41 N ATOM 143 CA THR A 9 7.580 -14.349 3.641 1.00 0.38 C ATOM 144 C THR A 9 6.331 -13.699 4.223 1.00 0.27 C ATOM 145 O THR A 9 5.254 -14.261 4.191 1.00 0.27 O ATOM 146 CB THR A 9 8.324 -15.104 4.743 1.00 0.45 C ATOM 147 OG1 THR A 9 9.492 -15.614 4.107 1.00 0.47 O ATOM 148 CG2 THR A 9 7.547 -16.332 5.208 1.00 0.46 C ATOM 0 H THR A 9 9.453 -13.364 3.363 1.00 0.41 H new ATOM 0 HA THR A 9 7.288 -15.042 2.852 1.00 0.38 H new ATOM 0 HB THR A 9 8.497 -14.444 5.593 1.00 0.45 H new ATOM 0 HG1 THR A 9 10.027 -16.114 4.758 1.00 0.47 H new ATOM 0 HG21 THR A 9 8.108 -16.842 5.991 1.00 0.46 H new ATOM 0 HG22 THR A 9 6.577 -16.023 5.598 1.00 0.46 H new ATOM 0 HG23 THR A 9 7.400 -17.010 4.367 1.00 0.46 H new ATOM 156 N ALA A 10 6.510 -12.527 4.742 1.00 0.21 N ATOM 157 CA ALA A 10 5.362 -11.799 5.337 1.00 0.11 C ATOM 158 C ALA A 10 4.458 -11.233 4.238 1.00 0.09 C ATOM 159 O ALA A 10 3.274 -11.502 4.207 1.00 0.08 O ATOM 160 CB ALA A 10 5.891 -10.655 6.192 1.00 0.06 C ATOM 0 H ALA A 10 7.404 -12.037 4.782 1.00 0.21 H new ATOM 0 HA ALA A 10 4.780 -12.490 5.948 1.00 0.11 H new ATOM 0 HB1 ALA A 10 5.054 -10.114 6.634 1.00 0.06 H new ATOM 0 HB2 ALA A 10 6.523 -11.055 6.985 1.00 0.06 H new ATOM 0 HB3 ALA A 10 6.475 -9.976 5.570 1.00 0.06 H new ATOM 166 N PHE A 11 5.041 -10.457 3.361 1.00 0.11 N ATOM 167 CA PHE A 11 4.235 -9.859 2.255 1.00 0.12 C ATOM 168 C PHE A 11 3.286 -10.907 1.665 1.00 0.09 C ATOM 169 O PHE A 11 2.231 -10.580 1.158 1.00 0.07 O ATOM 170 CB PHE A 11 5.187 -9.357 1.169 1.00 0.18 C ATOM 171 CG PHE A 11 4.386 -8.699 0.043 1.00 0.22 C ATOM 172 CD1 PHE A 11 3.698 -7.519 0.267 1.00 0.23 C ATOM 173 CD2 PHE A 11 4.338 -9.275 -1.216 1.00 0.25 C ATOM 174 CE1 PHE A 11 2.977 -6.926 -0.751 1.00 0.27 C ATOM 175 CE2 PHE A 11 3.616 -8.680 -2.231 1.00 0.29 C ATOM 176 CZ PHE A 11 2.937 -7.507 -1.998 1.00 0.30 C ATOM 0 H PHE A 11 6.031 -10.213 3.362 1.00 0.11 H new ATOM 0 HA PHE A 11 3.641 -9.032 2.643 1.00 0.12 H new ATOM 0 HB2 PHE A 11 5.892 -8.642 1.593 1.00 0.18 H new ATOM 0 HB3 PHE A 11 5.773 -10.187 0.774 1.00 0.18 H new ATOM 0 HD1 PHE A 11 3.725 -7.059 1.244 1.00 0.23 H new ATOM 0 HD2 PHE A 11 4.869 -10.196 -1.405 1.00 0.25 H new ATOM 0 HE1 PHE A 11 2.444 -6.005 -0.568 1.00 0.27 H new ATOM 0 HE2 PHE A 11 3.584 -9.136 -3.209 1.00 0.29 H new ATOM 0 HZ PHE A 11 2.373 -7.042 -2.793 1.00 0.30 H new ATOM 186 N GLN A 12 3.684 -12.147 1.745 1.00 0.11 N ATOM 187 CA GLN A 12 2.819 -13.235 1.193 1.00 0.10 C ATOM 188 C GLN A 12 1.648 -13.519 2.132 1.00 0.09 C ATOM 189 O GLN A 12 0.504 -13.536 1.723 1.00 0.11 O ATOM 190 CB GLN A 12 3.656 -14.503 1.026 1.00 0.18 C ATOM 191 CG GLN A 12 4.016 -14.678 -0.450 1.00 0.38 C ATOM 192 CD GLN A 12 2.771 -15.108 -1.229 1.00 1.03 C ATOM 193 OE1 GLN A 12 2.169 -16.126 -0.948 1.00 1.99 O ATOM 194 NE2 GLN A 12 2.351 -14.361 -2.213 1.00 1.27 N ATOM 0 H GLN A 12 4.562 -12.455 2.164 1.00 0.11 H new ATOM 0 HA GLN A 12 2.423 -12.917 0.229 1.00 0.10 H new ATOM 0 HB2 GLN A 12 4.562 -14.437 1.628 1.00 0.18 H new ATOM 0 HB3 GLN A 12 3.099 -15.370 1.382 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.407 -13.744 -0.854 1.00 0.38 H new ATOM 0 HG3 GLN A 12 4.802 -15.425 -0.558 1.00 0.38 H new ATOM 0 HE21 GLN A 12 2.852 -13.506 -2.454 1.00 1.27 H new ATOM 0 HE22 GLN A 12 1.522 -14.632 -2.741 1.00 1.27 H new ATOM 203 N GLU A 13 1.964 -13.737 3.368 1.00 0.11 N ATOM 204 CA GLU A 13 0.896 -14.040 4.369 1.00 0.15 C ATOM 205 C GLU A 13 -0.171 -12.939 4.379 1.00 0.20 C ATOM 206 O GLU A 13 -1.354 -13.220 4.390 1.00 0.37 O ATOM 207 CB GLU A 13 1.528 -14.148 5.755 1.00 0.29 C ATOM 208 CG GLU A 13 2.485 -15.342 5.780 1.00 0.35 C ATOM 209 CD GLU A 13 1.766 -16.555 6.377 1.00 1.18 C ATOM 210 OE1 GLU A 13 1.783 -16.649 7.593 1.00 0.93 O ATOM 211 OE2 GLU A 13 1.242 -17.318 5.583 1.00 2.42 O ATOM 0 H GLU A 13 2.914 -13.721 3.738 1.00 0.11 H new ATOM 0 HA GLU A 13 0.417 -14.981 4.098 1.00 0.15 H new ATOM 0 HB2 GLU A 13 2.066 -13.231 5.995 1.00 0.29 H new ATOM 0 HB3 GLU A 13 0.754 -14.271 6.512 1.00 0.29 H new ATOM 0 HG2 GLU A 13 2.828 -15.569 4.771 1.00 0.35 H new ATOM 0 HG3 GLU A 13 3.369 -15.102 6.371 1.00 0.35 H new ATOM 218 N ALA A 14 0.264 -11.710 4.374 1.00 0.18 N ATOM 219 CA ALA A 14 -0.721 -10.587 4.394 1.00 0.24 C ATOM 220 C ALA A 14 -1.750 -10.763 3.274 1.00 0.22 C ATOM 221 O ALA A 14 -2.939 -10.654 3.498 1.00 0.31 O ATOM 222 CB ALA A 14 0.024 -9.266 4.202 1.00 0.29 C ATOM 0 H ALA A 14 1.246 -11.434 4.357 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.243 -10.584 5.351 1.00 0.24 H new ATOM 0 HB1 ALA A 14 -0.688 -8.441 4.215 1.00 0.29 H new ATOM 0 HB2 ALA A 14 0.746 -9.135 5.008 1.00 0.29 H new ATOM 0 HB3 ALA A 14 0.546 -9.279 3.245 1.00 0.29 H new ATOM 228 N LEU A 15 -1.269 -11.031 2.095 1.00 0.17 N ATOM 229 CA LEU A 15 -2.203 -11.218 0.947 1.00 0.20 C ATOM 230 C LEU A 15 -3.006 -12.509 1.129 1.00 0.19 C ATOM 231 O LEU A 15 -3.969 -12.750 0.428 1.00 0.27 O ATOM 232 CB LEU A 15 -1.389 -11.296 -0.341 1.00 0.18 C ATOM 233 CG LEU A 15 -0.527 -10.035 -0.465 1.00 0.18 C ATOM 234 CD1 LEU A 15 0.364 -10.151 -1.703 1.00 0.22 C ATOM 235 CD2 LEU A 15 -1.432 -8.804 -0.607 1.00 0.22 C ATOM 0 H LEU A 15 -0.278 -11.129 1.874 1.00 0.17 H new ATOM 0 HA LEU A 15 -2.897 -10.379 0.899 1.00 0.20 H new ATOM 0 HB2 LEU A 15 -0.757 -12.184 -0.334 1.00 0.18 H new ATOM 0 HB3 LEU A 15 -2.053 -11.384 -1.201 1.00 0.18 H new ATOM 0 HG LEU A 15 0.092 -9.930 0.426 1.00 0.18 H new ATOM 0 HD11 LEU A 15 0.979 -9.255 -1.794 1.00 0.22 H new ATOM 0 HD12 LEU A 15 1.008 -11.025 -1.607 1.00 0.22 H new ATOM 0 HD13 LEU A 15 -0.259 -10.255 -2.591 1.00 0.22 H new ATOM 0 HD21 LEU A 15 -0.817 -7.908 -0.695 1.00 0.22 H new ATOM 0 HD22 LEU A 15 -2.051 -8.908 -1.498 1.00 0.22 H new ATOM 0 HD23 LEU A 15 -2.072 -8.720 0.271 1.00 0.22 H new ATOM 247 N ASP A 16 -2.590 -13.310 2.069 1.00 0.11 N ATOM 248 CA ASP A 16 -3.314 -14.592 2.315 1.00 0.10 C ATOM 249 C ASP A 16 -4.334 -14.419 3.441 1.00 0.16 C ATOM 250 O ASP A 16 -5.263 -15.194 3.565 1.00 0.18 O ATOM 251 CB ASP A 16 -2.304 -15.671 2.701 1.00 0.04 C ATOM 252 CG ASP A 16 -2.894 -17.050 2.397 1.00 0.13 C ATOM 253 OD1 ASP A 16 -2.729 -17.471 1.263 1.00 0.95 O ATOM 254 OD2 ASP A 16 -3.476 -17.604 3.315 1.00 0.75 O ATOM 0 H ASP A 16 -1.787 -13.137 2.674 1.00 0.11 H new ATOM 0 HA ASP A 16 -3.842 -14.885 1.407 1.00 0.10 H new ATOM 0 HB2 ASP A 16 -1.375 -15.530 2.148 1.00 0.04 H new ATOM 0 HB3 ASP A 16 -2.059 -15.593 3.760 1.00 0.04 H new ATOM 259 N ALA A 17 -4.138 -13.404 4.235 1.00 0.25 N ATOM 260 CA ALA A 17 -5.082 -13.156 5.369 1.00 0.34 C ATOM 261 C ALA A 17 -6.035 -12.006 5.026 1.00 0.39 C ATOM 262 O ALA A 17 -6.894 -11.653 5.810 1.00 0.43 O ATOM 263 CB ALA A 17 -4.277 -12.791 6.615 1.00 0.37 C ATOM 0 H ALA A 17 -3.371 -12.737 4.152 1.00 0.25 H new ATOM 0 HA ALA A 17 -5.668 -14.057 5.551 1.00 0.34 H new ATOM 0 HB1 ALA A 17 -4.957 -12.608 7.447 1.00 0.37 H new ATOM 0 HB2 ALA A 17 -3.606 -13.612 6.868 1.00 0.37 H new ATOM 0 HB3 ALA A 17 -3.693 -11.892 6.420 1.00 0.37 H new ATOM 269 N ALA A 18 -5.862 -11.446 3.861 1.00 0.41 N ATOM 270 CA ALA A 18 -6.746 -10.315 3.451 1.00 0.46 C ATOM 271 C ALA A 18 -7.923 -10.832 2.618 1.00 0.57 C ATOM 272 O ALA A 18 -8.625 -10.063 1.991 1.00 0.78 O ATOM 273 CB ALA A 18 -5.930 -9.328 2.621 1.00 0.33 C ATOM 0 H ALA A 18 -5.154 -11.718 3.179 1.00 0.41 H new ATOM 0 HA ALA A 18 -7.139 -9.824 4.341 1.00 0.46 H new ATOM 0 HB1 ALA A 18 -6.566 -8.497 2.315 1.00 0.33 H new ATOM 0 HB2 ALA A 18 -5.100 -8.950 3.218 1.00 0.33 H new ATOM 0 HB3 ALA A 18 -5.541 -9.831 1.736 1.00 0.33 H new ATOM 279 N GLY A 19 -8.115 -12.121 2.629 1.00 0.47 N ATOM 280 CA GLY A 19 -9.241 -12.696 1.841 1.00 0.57 C ATOM 281 C GLY A 19 -9.162 -12.225 0.388 1.00 0.51 C ATOM 282 O GLY A 19 -8.260 -12.595 -0.338 1.00 0.57 O ATOM 0 H GLY A 19 -7.548 -12.795 3.143 1.00 0.47 H new ATOM 0 HA2 GLY A 19 -9.204 -13.785 1.881 1.00 0.57 H new ATOM 0 HA3 GLY A 19 -10.193 -12.393 2.278 1.00 0.57 H new ATOM 286 N ASP A 20 -10.114 -11.418 -0.005 1.00 0.48 N ATOM 287 CA ASP A 20 -10.113 -10.904 -1.410 1.00 0.48 C ATOM 288 C ASP A 20 -10.480 -9.415 -1.439 1.00 0.37 C ATOM 289 O ASP A 20 -10.461 -8.791 -2.481 1.00 0.52 O ATOM 290 CB ASP A 20 -11.131 -11.693 -2.232 1.00 0.64 C ATOM 291 CG ASP A 20 -11.855 -12.687 -1.322 1.00 0.52 C ATOM 292 OD1 ASP A 20 -12.836 -12.266 -0.732 1.00 1.47 O ATOM 293 OD2 ASP A 20 -11.386 -13.812 -1.268 1.00 1.09 O ATOM 0 H ASP A 20 -10.885 -11.095 0.579 1.00 0.48 H new ATOM 0 HA ASP A 20 -9.115 -11.026 -1.831 1.00 0.48 H new ATOM 0 HB2 ASP A 20 -11.849 -11.014 -2.692 1.00 0.64 H new ATOM 0 HB3 ASP A 20 -10.629 -12.223 -3.042 1.00 0.64 H new ATOM 298 N LYS A 21 -10.803 -8.876 -0.295 1.00 0.19 N ATOM 299 CA LYS A 21 -11.167 -7.430 -0.247 1.00 0.20 C ATOM 300 C LYS A 21 -10.028 -6.593 -0.834 1.00 0.26 C ATOM 301 O LYS A 21 -8.893 -7.017 -0.837 1.00 0.30 O ATOM 302 CB LYS A 21 -11.405 -7.020 1.206 1.00 0.20 C ATOM 303 CG LYS A 21 -12.401 -7.991 1.847 1.00 0.32 C ATOM 304 CD LYS A 21 -12.586 -7.623 3.320 1.00 0.57 C ATOM 305 CE LYS A 21 -13.207 -8.809 4.059 1.00 0.40 C ATOM 306 NZ LYS A 21 -14.137 -8.333 5.120 1.00 1.06 N ATOM 0 H LYS A 21 -10.831 -9.367 0.599 1.00 0.19 H new ATOM 0 HA LYS A 21 -12.073 -7.262 -0.829 1.00 0.20 H new ATOM 0 HB2 LYS A 21 -10.465 -7.028 1.757 1.00 0.20 H new ATOM 0 HB3 LYS A 21 -11.792 -6.002 1.250 1.00 0.20 H new ATOM 0 HG2 LYS A 21 -13.357 -7.946 1.326 1.00 0.32 H new ATOM 0 HG3 LYS A 21 -12.037 -9.015 1.759 1.00 0.32 H new ATOM 0 HD2 LYS A 21 -11.626 -7.363 3.766 1.00 0.57 H new ATOM 0 HD3 LYS A 21 -13.227 -6.746 3.411 1.00 0.57 H new ATOM 0 HE2 LYS A 21 -13.744 -9.443 3.354 1.00 0.40 H new ATOM 0 HE3 LYS A 21 -12.421 -9.420 4.503 1.00 0.40 H new ATOM 0 HZ1 LYS A 21 -14.232 -9.065 5.852 1.00 1.06 H new ATOM 0 HZ2 LYS A 21 -13.760 -7.463 5.547 1.00 1.06 H new ATOM 0 HZ3 LYS A 21 -15.069 -8.138 4.702 1.00 1.06 H new ATOM 320 N LEU A 22 -10.354 -5.424 -1.320 1.00 0.27 N ATOM 321 CA LEU A 22 -9.292 -4.552 -1.910 1.00 0.34 C ATOM 322 C LEU A 22 -8.045 -4.553 -1.018 1.00 0.21 C ATOM 323 O LEU A 22 -8.150 -4.427 0.187 1.00 0.18 O ATOM 324 CB LEU A 22 -9.825 -3.126 -2.008 1.00 0.48 C ATOM 325 CG LEU A 22 -9.894 -2.698 -3.472 1.00 0.41 C ATOM 326 CD1 LEU A 22 -10.547 -1.315 -3.547 1.00 1.77 C ATOM 327 CD2 LEU A 22 -8.476 -2.618 -4.041 1.00 1.22 C ATOM 0 H LEU A 22 -11.298 -5.037 -1.335 1.00 0.27 H new ATOM 0 HA LEU A 22 -9.026 -4.932 -2.896 1.00 0.34 H new ATOM 0 HB2 LEU A 22 -10.815 -3.066 -1.555 1.00 0.48 H new ATOM 0 HB3 LEU A 22 -9.178 -2.447 -1.452 1.00 0.48 H new ATOM 0 HG LEU A 22 -10.476 -3.419 -4.046 1.00 0.41 H new ATOM 0 HD11 LEU A 22 -10.603 -0.995 -4.588 1.00 1.77 H new ATOM 0 HD12 LEU A 22 -11.552 -1.364 -3.127 1.00 1.77 H new ATOM 0 HD13 LEU A 22 -9.951 -0.600 -2.980 1.00 1.77 H new ATOM 0 HD21 LEU A 22 -8.520 -2.313 -5.086 1.00 1.22 H new ATOM 0 HD22 LEU A 22 -7.897 -1.889 -3.474 1.00 1.22 H new ATOM 0 HD23 LEU A 22 -7.999 -3.595 -3.968 1.00 1.22 H new ATOM 339 N VAL A 23 -6.891 -4.702 -1.628 1.00 0.17 N ATOM 340 CA VAL A 23 -5.626 -4.689 -0.831 1.00 0.09 C ATOM 341 C VAL A 23 -4.682 -3.644 -1.438 1.00 0.11 C ATOM 342 O VAL A 23 -3.948 -3.931 -2.362 1.00 0.15 O ATOM 343 CB VAL A 23 -4.976 -6.091 -0.895 1.00 0.17 C ATOM 344 CG1 VAL A 23 -3.970 -6.285 0.260 1.00 0.25 C ATOM 345 CG2 VAL A 23 -6.066 -7.164 -0.804 1.00 0.18 C ATOM 0 H VAL A 23 -6.773 -4.831 -2.633 1.00 0.17 H new ATOM 0 HA VAL A 23 -5.830 -4.438 0.210 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.441 -6.181 -1.841 1.00 0.17 H new ATOM 0 HG11 VAL A 23 -3.526 -7.278 0.193 1.00 0.25 H new ATOM 0 HG12 VAL A 23 -3.185 -5.532 0.189 1.00 0.25 H new ATOM 0 HG13 VAL A 23 -4.487 -6.182 1.214 1.00 0.25 H new ATOM 0 HG21 VAL A 23 -5.608 -8.152 -0.849 1.00 0.18 H new ATOM 0 HG22 VAL A 23 -6.605 -7.056 0.137 1.00 0.18 H new ATOM 0 HG23 VAL A 23 -6.761 -7.048 -1.635 1.00 0.18 H new ATOM 355 N VAL A 24 -4.721 -2.452 -0.898 1.00 0.10 N ATOM 356 CA VAL A 24 -3.860 -1.363 -1.459 1.00 0.14 C ATOM 357 C VAL A 24 -2.584 -1.173 -0.632 1.00 0.17 C ATOM 358 O VAL A 24 -2.643 -0.892 0.549 1.00 0.39 O ATOM 359 CB VAL A 24 -4.659 -0.064 -1.459 1.00 0.14 C ATOM 360 CG1 VAL A 24 -3.794 1.056 -2.027 1.00 0.20 C ATOM 361 CG2 VAL A 24 -5.900 -0.238 -2.339 1.00 0.12 C ATOM 0 H VAL A 24 -5.303 -2.186 -0.104 1.00 0.10 H new ATOM 0 HA VAL A 24 -3.565 -1.638 -2.472 1.00 0.14 H new ATOM 0 HB VAL A 24 -4.961 0.184 -0.441 1.00 0.14 H new ATOM 0 HG11 VAL A 24 -4.360 1.987 -2.029 1.00 0.20 H new ATOM 0 HG12 VAL A 24 -2.902 1.175 -1.411 1.00 0.20 H new ATOM 0 HG13 VAL A 24 -3.500 0.807 -3.047 1.00 0.20 H new ATOM 0 HG21 VAL A 24 -6.476 0.688 -2.343 1.00 0.12 H new ATOM 0 HG22 VAL A 24 -5.593 -0.479 -3.357 1.00 0.12 H new ATOM 0 HG23 VAL A 24 -6.516 -1.046 -1.944 1.00 0.12 H new ATOM 371 N VAL A 25 -1.456 -1.313 -1.284 1.00 0.07 N ATOM 372 CA VAL A 25 -0.156 -1.145 -0.563 1.00 0.05 C ATOM 373 C VAL A 25 0.398 0.266 -0.777 1.00 0.05 C ATOM 374 O VAL A 25 0.147 0.886 -1.793 1.00 0.11 O ATOM 375 CB VAL A 25 0.855 -2.160 -1.097 1.00 0.05 C ATOM 376 CG1 VAL A 25 2.174 -1.997 -0.341 1.00 0.07 C ATOM 377 CG2 VAL A 25 0.325 -3.575 -0.878 1.00 0.15 C ATOM 0 H VAL A 25 -1.379 -1.535 -2.277 1.00 0.07 H new ATOM 0 HA VAL A 25 -0.325 -1.305 0.502 1.00 0.05 H new ATOM 0 HB VAL A 25 1.012 -1.991 -2.162 1.00 0.05 H new ATOM 0 HG11 VAL A 25 2.900 -2.718 -0.717 1.00 0.07 H new ATOM 0 HG12 VAL A 25 2.556 -0.987 -0.489 1.00 0.07 H new ATOM 0 HG13 VAL A 25 2.008 -2.170 0.722 1.00 0.07 H new ATOM 0 HG21 VAL A 25 1.047 -4.297 -1.259 1.00 0.15 H new ATOM 0 HG22 VAL A 25 0.170 -3.745 0.188 1.00 0.15 H new ATOM 0 HG23 VAL A 25 -0.621 -3.695 -1.406 1.00 0.15 H new ATOM 387 N ASP A 26 1.142 0.736 0.192 1.00 0.04 N ATOM 388 CA ASP A 26 1.746 2.099 0.081 1.00 0.03 C ATOM 389 C ASP A 26 3.270 1.991 0.159 1.00 0.02 C ATOM 390 O ASP A 26 3.851 2.089 1.222 1.00 0.06 O ATOM 391 CB ASP A 26 1.241 2.964 1.232 1.00 0.03 C ATOM 392 CG ASP A 26 1.896 4.345 1.154 1.00 0.05 C ATOM 393 OD1 ASP A 26 2.017 4.824 0.038 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.237 4.841 2.214 1.00 0.96 O ATOM 0 H ASP A 26 1.357 0.236 1.054 1.00 0.04 H new ATOM 0 HA ASP A 26 1.463 2.549 -0.871 1.00 0.03 H new ATOM 0 HB2 ASP A 26 0.156 3.060 1.181 1.00 0.03 H new ATOM 0 HB3 ASP A 26 1.474 2.492 2.186 1.00 0.03 H new ATOM 399 N PHE A 27 3.884 1.786 -0.970 1.00 0.04 N ATOM 400 CA PHE A 27 5.367 1.660 -0.987 1.00 0.02 C ATOM 401 C PHE A 27 6.023 3.036 -0.861 1.00 0.05 C ATOM 402 O PHE A 27 6.125 3.772 -1.822 1.00 0.08 O ATOM 403 CB PHE A 27 5.785 1.003 -2.295 1.00 0.07 C ATOM 404 CG PHE A 27 5.443 -0.486 -2.238 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.305 -1.378 -1.623 1.00 0.13 C ATOM 406 CD2 PHE A 27 4.267 -0.965 -2.800 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.003 -2.722 -1.573 1.00 0.18 C ATOM 408 CE2 PHE A 27 3.970 -2.314 -2.744 1.00 0.15 C ATOM 409 CZ PHE A 27 4.838 -3.188 -2.132 1.00 0.19 C ATOM 0 H PHE A 27 3.427 1.700 -1.878 1.00 0.04 H new ATOM 0 HA PHE A 27 5.690 1.051 -0.143 1.00 0.02 H new ATOM 0 HB2 PHE A 27 5.273 1.475 -3.133 1.00 0.07 H new ATOM 0 HB3 PHE A 27 6.854 1.137 -2.459 1.00 0.07 H new ATOM 0 HD1 PHE A 27 7.221 -1.018 -1.179 1.00 0.13 H new ATOM 0 HD2 PHE A 27 3.583 -0.282 -3.282 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.684 -3.410 -1.093 1.00 0.18 H new ATOM 0 HE2 PHE A 27 3.054 -2.683 -3.182 1.00 0.15 H new ATOM 0 HZ PHE A 27 4.603 -4.241 -2.091 1.00 0.19 H new ATOM 419 N SER A 28 6.454 3.350 0.329 1.00 0.08 N ATOM 420 CA SER A 28 7.110 4.670 0.552 1.00 0.12 C ATOM 421 C SER A 28 8.168 4.545 1.652 1.00 0.10 C ATOM 422 O SER A 28 8.314 3.503 2.258 1.00 0.11 O ATOM 423 CB SER A 28 6.053 5.688 0.974 1.00 0.16 C ATOM 424 OG SER A 28 6.056 5.625 2.393 1.00 0.67 O ATOM 0 H SER A 28 6.381 2.754 1.153 1.00 0.08 H new ATOM 0 HA SER A 28 7.591 4.998 -0.370 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.300 6.689 0.619 1.00 0.16 H new ATOM 0 HB3 SER A 28 5.074 5.438 0.566 1.00 0.16 H new ATOM 0 HG SER A 28 5.398 6.257 2.750 1.00 0.67 H new ATOM 430 N ALA A 29 8.883 5.608 1.885 1.00 0.30 N ATOM 431 CA ALA A 29 9.936 5.561 2.942 1.00 0.29 C ATOM 432 C ALA A 29 9.377 6.069 4.277 1.00 0.29 C ATOM 433 O ALA A 29 8.682 7.065 4.322 1.00 0.29 O ATOM 434 CB ALA A 29 11.108 6.439 2.516 1.00 0.31 C ATOM 0 H ALA A 29 8.788 6.499 1.397 1.00 0.30 H new ATOM 0 HA ALA A 29 10.267 4.530 3.071 1.00 0.29 H new ATOM 0 HB1 ALA A 29 11.882 6.410 3.283 1.00 0.31 H new ATOM 0 HB2 ALA A 29 11.516 6.070 1.575 1.00 0.31 H new ATOM 0 HB3 ALA A 29 10.765 7.465 2.385 1.00 0.31 H new ATOM 440 N THR A 30 9.691 5.371 5.337 1.00 0.30 N ATOM 441 CA THR A 30 9.187 5.806 6.674 1.00 0.30 C ATOM 442 C THR A 30 10.148 6.826 7.290 1.00 0.35 C ATOM 443 O THR A 30 9.740 7.707 8.021 1.00 0.34 O ATOM 444 CB THR A 30 9.076 4.586 7.597 1.00 0.34 C ATOM 445 OG1 THR A 30 8.220 5.010 8.654 1.00 0.26 O ATOM 446 CG2 THR A 30 10.409 4.263 8.265 1.00 0.42 C ATOM 0 H THR A 30 10.267 4.529 5.337 1.00 0.30 H new ATOM 0 HA THR A 30 8.207 6.267 6.554 1.00 0.30 H new ATOM 0 HB THR A 30 8.737 3.720 7.029 1.00 0.34 H new ATOM 0 HG1 THR A 30 8.098 4.275 9.291 1.00 0.26 H new ATOM 0 HG21 THR A 30 10.291 3.393 8.911 1.00 0.42 H new ATOM 0 HG22 THR A 30 11.156 4.049 7.501 1.00 0.42 H new ATOM 0 HG23 THR A 30 10.734 5.116 8.861 1.00 0.42 H new ATOM 454 N TRP A 31 11.402 6.682 6.977 1.00 0.40 N ATOM 455 CA TRP A 31 12.413 7.630 7.525 1.00 0.47 C ATOM 456 C TRP A 31 12.259 9.003 6.861 1.00 0.49 C ATOM 457 O TRP A 31 12.229 10.018 7.528 1.00 0.53 O ATOM 458 CB TRP A 31 13.801 7.076 7.226 1.00 0.51 C ATOM 459 CG TRP A 31 13.908 6.826 5.721 1.00 0.49 C ATOM 460 CD1 TRP A 31 13.507 5.706 5.126 1.00 0.46 C ATOM 461 CD2 TRP A 31 14.377 7.691 4.835 1.00 0.50 C ATOM 462 NE1 TRP A 31 13.755 5.930 3.829 1.00 0.45 N ATOM 463 CE2 TRP A 31 14.302 7.161 3.559 1.00 0.47 C ATOM 464 CE3 TRP A 31 14.885 8.972 5.009 1.00 0.54 C ATOM 465 CZ2 TRP A 31 14.727 7.895 2.477 1.00 0.48 C ATOM 466 CZ3 TRP A 31 15.310 9.702 3.918 1.00 0.55 C ATOM 467 CH2 TRP A 31 15.231 9.164 2.654 1.00 0.52 C ATOM 0 H TRP A 31 11.772 5.953 6.368 1.00 0.40 H new ATOM 0 HA TRP A 31 12.271 7.742 8.600 1.00 0.47 H new ATOM 0 HB2 TRP A 31 14.568 7.780 7.549 1.00 0.51 H new ATOM 0 HB3 TRP A 31 13.966 6.150 7.777 1.00 0.51 H new ATOM 0 HD1 TRP A 31 13.082 4.824 5.581 1.00 0.46 H new ATOM 0 HE1 TRP A 31 13.554 5.243 3.102 1.00 0.45 H new ATOM 0 HE3 TRP A 31 14.947 9.397 6.000 1.00 0.54 H new ATOM 0 HZ2 TRP A 31 14.665 7.474 1.484 1.00 0.48 H new ATOM 0 HZ3 TRP A 31 15.705 10.697 4.056 1.00 0.55 H new ATOM 0 HH2 TRP A 31 15.564 9.737 1.801 1.00 0.52 H new ATOM 478 N CYS A 32 12.164 9.003 5.557 1.00 0.47 N ATOM 479 CA CYS A 32 12.014 10.298 4.833 1.00 0.51 C ATOM 480 C CYS A 32 10.845 11.101 5.423 1.00 0.54 C ATOM 481 O CYS A 32 10.000 10.557 6.107 1.00 0.56 O ATOM 482 CB CYS A 32 11.750 10.022 3.356 1.00 0.50 C ATOM 483 SG CYS A 32 10.939 11.327 2.399 1.00 0.76 S ATOM 0 H CYS A 32 12.184 8.171 4.968 1.00 0.47 H new ATOM 0 HA CYS A 32 12.931 10.877 4.941 1.00 0.51 H new ATOM 0 HB2 CYS A 32 12.704 9.798 2.879 1.00 0.50 H new ATOM 0 HB3 CYS A 32 11.139 9.122 3.285 1.00 0.50 H new ATOM 0 HG CYS A 32 10.007 10.806 1.657 1.00 0.76 H new ATOM 489 N GLY A 33 10.825 12.375 5.143 1.00 0.55 N ATOM 490 CA GLY A 33 9.724 13.232 5.679 1.00 0.59 C ATOM 491 C GLY A 33 8.568 13.347 4.669 1.00 0.62 C ATOM 492 O GLY A 33 7.485 12.851 4.905 1.00 0.60 O ATOM 0 H GLY A 33 11.517 12.859 4.571 1.00 0.55 H new ATOM 0 HA2 GLY A 33 9.354 12.811 6.614 1.00 0.59 H new ATOM 0 HA3 GLY A 33 10.111 14.225 5.908 1.00 0.59 H new ATOM 496 N PRO A 34 8.827 14.011 3.557 1.00 0.67 N ATOM 497 CA PRO A 34 7.808 14.198 2.515 1.00 0.73 C ATOM 498 C PRO A 34 7.129 12.870 2.161 1.00 0.66 C ATOM 499 O PRO A 34 6.022 12.854 1.659 1.00 0.78 O ATOM 500 CB PRO A 34 8.566 14.767 1.312 1.00 0.79 C ATOM 501 CG PRO A 34 10.005 15.118 1.800 1.00 0.77 C ATOM 502 CD PRO A 34 10.140 14.603 3.249 1.00 0.70 C ATOM 0 HA PRO A 34 7.010 14.864 2.844 1.00 0.73 H new ATOM 0 HB2 PRO A 34 8.601 14.040 0.500 1.00 0.79 H new ATOM 0 HB3 PRO A 34 8.064 15.653 0.925 1.00 0.79 H new ATOM 0 HG2 PRO A 34 10.752 14.654 1.157 1.00 0.77 H new ATOM 0 HG3 PRO A 34 10.173 16.194 1.758 1.00 0.77 H new ATOM 0 HD2 PRO A 34 10.937 13.865 3.335 1.00 0.70 H new ATOM 0 HD3 PRO A 34 10.381 15.414 3.937 1.00 0.70 H new ATOM 510 N CYS A 35 7.802 11.786 2.426 1.00 0.49 N ATOM 511 CA CYS A 35 7.190 10.461 2.123 1.00 0.46 C ATOM 512 C CYS A 35 6.118 10.143 3.166 1.00 0.42 C ATOM 513 O CYS A 35 4.974 9.911 2.830 1.00 0.33 O ATOM 514 CB CYS A 35 8.268 9.383 2.152 1.00 0.35 C ATOM 515 SG CYS A 35 9.401 9.300 0.742 1.00 0.73 S ATOM 0 H CYS A 35 8.737 11.758 2.834 1.00 0.49 H new ATOM 0 HA CYS A 35 6.734 10.490 1.133 1.00 0.46 H new ATOM 0 HB2 CYS A 35 8.863 9.526 3.054 1.00 0.35 H new ATOM 0 HB3 CYS A 35 7.775 8.416 2.245 1.00 0.35 H new ATOM 0 HG CYS A 35 10.565 9.759 1.093 1.00 0.73 H new ATOM 521 N LYS A 36 6.510 10.136 4.414 1.00 0.59 N ATOM 522 CA LYS A 36 5.516 9.847 5.480 1.00 0.55 C ATOM 523 C LYS A 36 4.682 11.101 5.750 1.00 0.48 C ATOM 524 O LYS A 36 3.947 11.167 6.707 1.00 0.36 O ATOM 525 CB LYS A 36 6.243 9.424 6.758 1.00 0.63 C ATOM 526 CG LYS A 36 5.244 8.756 7.711 1.00 0.80 C ATOM 527 CD LYS A 36 5.405 9.346 9.112 1.00 0.48 C ATOM 528 CE LYS A 36 6.836 9.103 9.603 1.00 0.52 C ATOM 529 NZ LYS A 36 6.838 8.765 11.054 1.00 1.03 N ATOM 0 H LYS A 36 7.462 10.315 4.734 1.00 0.59 H new ATOM 0 HA LYS A 36 4.860 9.039 5.157 1.00 0.55 H new ATOM 0 HB2 LYS A 36 7.052 8.734 6.519 1.00 0.63 H new ATOM 0 HB3 LYS A 36 6.696 10.292 7.237 1.00 0.63 H new ATOM 0 HG2 LYS A 36 4.226 8.910 7.354 1.00 0.80 H new ATOM 0 HG3 LYS A 36 5.413 7.679 7.736 1.00 0.80 H new ATOM 0 HD2 LYS A 36 5.190 10.415 9.096 1.00 0.48 H new ATOM 0 HD3 LYS A 36 4.691 8.888 9.796 1.00 0.48 H new ATOM 0 HE2 LYS A 36 7.290 8.292 9.034 1.00 0.52 H new ATOM 0 HE3 LYS A 36 7.442 9.992 9.430 1.00 0.52 H new ATOM 0 HZ1 LYS A 36 7.815 8.603 11.371 1.00 1.03 H new ATOM 0 HZ2 LYS A 36 6.424 9.551 11.594 1.00 1.03 H new ATOM 0 HZ3 LYS A 36 6.276 7.904 11.211 1.00 1.03 H new ATOM 543 N MET A 37 4.835 12.082 4.903 1.00 0.66 N ATOM 544 CA MET A 37 4.035 13.327 5.081 1.00 0.62 C ATOM 545 C MET A 37 2.633 13.079 4.537 1.00 0.53 C ATOM 546 O MET A 37 1.693 13.777 4.861 1.00 0.48 O ATOM 547 CB MET A 37 4.699 14.466 4.309 1.00 0.74 C ATOM 548 CG MET A 37 3.857 15.734 4.456 1.00 1.10 C ATOM 549 SD MET A 37 4.648 17.307 4.031 1.00 1.38 S ATOM 550 CE MET A 37 3.406 17.869 2.840 1.00 2.82 C ATOM 0 H MET A 37 5.471 12.077 4.105 1.00 0.66 H new ATOM 0 HA MET A 37 3.980 13.598 6.135 1.00 0.62 H new ATOM 0 HB2 MET A 37 5.706 14.639 4.688 1.00 0.74 H new ATOM 0 HB3 MET A 37 4.795 14.200 3.256 1.00 0.74 H new ATOM 0 HG2 MET A 37 2.969 15.624 3.834 1.00 1.10 H new ATOM 0 HG3 MET A 37 3.517 15.795 5.490 1.00 1.10 H new ATOM 0 HE1 MET A 37 3.697 18.841 2.442 1.00 2.82 H new ATOM 0 HE2 MET A 37 3.333 17.150 2.024 1.00 2.82 H new ATOM 0 HE3 MET A 37 2.439 17.954 3.336 1.00 2.82 H new ATOM 560 N ILE A 38 2.537 12.075 3.714 1.00 0.56 N ATOM 561 CA ILE A 38 1.222 11.710 3.123 1.00 0.54 C ATOM 562 C ILE A 38 0.591 10.586 3.954 1.00 0.43 C ATOM 563 O ILE A 38 -0.133 9.754 3.444 1.00 0.66 O ATOM 564 CB ILE A 38 1.457 11.224 1.693 1.00 0.70 C ATOM 565 CG1 ILE A 38 2.121 12.349 0.884 1.00 0.79 C ATOM 566 CG2 ILE A 38 0.123 10.858 1.054 1.00 0.59 C ATOM 567 CD1 ILE A 38 2.655 11.788 -0.439 1.00 2.32 C ATOM 0 H ILE A 38 3.318 11.487 3.423 1.00 0.56 H new ATOM 0 HA ILE A 38 0.553 12.570 3.119 1.00 0.54 H new ATOM 0 HB ILE A 38 2.104 10.347 1.704 1.00 0.70 H new ATOM 0 HG12 ILE A 38 1.401 13.144 0.689 1.00 0.79 H new ATOM 0 HG13 ILE A 38 2.936 12.791 1.458 1.00 0.79 H new ATOM 0 HG21 ILE A 38 0.291 10.512 0.034 1.00 0.59 H new ATOM 0 HG22 ILE A 38 -0.353 10.066 1.633 1.00 0.59 H new ATOM 0 HG23 ILE A 38 -0.525 11.734 1.037 1.00 0.59 H new ATOM 0 HD11 ILE A 38 3.125 12.588 -1.010 1.00 2.32 H new ATOM 0 HD12 ILE A 38 3.389 11.009 -0.234 1.00 2.32 H new ATOM 0 HD13 ILE A 38 1.831 11.367 -1.015 1.00 2.32 H new ATOM 579 N LYS A 39 0.887 10.596 5.223 1.00 0.35 N ATOM 580 CA LYS A 39 0.346 9.538 6.123 1.00 0.44 C ATOM 581 C LYS A 39 -1.086 9.872 6.627 1.00 0.44 C ATOM 582 O LYS A 39 -1.938 9.012 6.635 1.00 0.48 O ATOM 583 CB LYS A 39 1.323 9.336 7.311 1.00 0.54 C ATOM 584 CG LYS A 39 0.555 9.153 8.629 1.00 2.19 C ATOM 585 CD LYS A 39 1.536 8.756 9.734 1.00 2.14 C ATOM 586 CE LYS A 39 0.835 8.880 11.090 1.00 3.88 C ATOM 587 NZ LYS A 39 1.762 8.508 12.197 1.00 3.98 N ATOM 0 H LYS A 39 1.480 11.291 5.677 1.00 0.35 H new ATOM 0 HA LYS A 39 0.263 8.611 5.556 1.00 0.44 H new ATOM 0 HB2 LYS A 39 1.950 8.464 7.127 1.00 0.54 H new ATOM 0 HB3 LYS A 39 1.988 10.196 7.390 1.00 0.54 H new ATOM 0 HG2 LYS A 39 0.043 10.077 8.896 1.00 2.19 H new ATOM 0 HG3 LYS A 39 -0.211 8.386 8.514 1.00 2.19 H new ATOM 0 HD2 LYS A 39 1.882 7.734 9.581 1.00 2.14 H new ATOM 0 HD3 LYS A 39 2.416 9.398 9.705 1.00 2.14 H new ATOM 0 HE2 LYS A 39 0.483 9.902 11.231 1.00 3.88 H new ATOM 0 HE3 LYS A 39 -0.043 8.235 11.112 1.00 3.88 H new ATOM 0 HZ1 LYS A 39 1.269 8.598 13.108 1.00 3.98 H new ATOM 0 HZ2 LYS A 39 2.078 7.525 12.070 1.00 3.98 H new ATOM 0 HZ3 LYS A 39 2.587 9.141 12.186 1.00 3.98 H new ATOM 601 N PRO A 40 -1.336 11.112 7.040 1.00 0.47 N ATOM 602 CA PRO A 40 -2.668 11.478 7.545 1.00 0.54 C ATOM 603 C PRO A 40 -3.725 11.312 6.448 1.00 0.46 C ATOM 604 O PRO A 40 -4.898 11.533 6.674 1.00 0.53 O ATOM 605 CB PRO A 40 -2.554 12.945 7.971 1.00 0.64 C ATOM 606 CG PRO A 40 -1.077 13.382 7.734 1.00 0.69 C ATOM 607 CD PRO A 40 -0.359 12.216 7.029 1.00 0.54 C ATOM 0 HA PRO A 40 -2.976 10.841 8.374 1.00 0.54 H new ATOM 0 HB2 PRO A 40 -3.237 13.567 7.392 1.00 0.64 H new ATOM 0 HB3 PRO A 40 -2.826 13.063 9.020 1.00 0.64 H new ATOM 0 HG2 PRO A 40 -1.037 14.283 7.122 1.00 0.69 H new ATOM 0 HG3 PRO A 40 -0.590 13.617 8.680 1.00 0.69 H new ATOM 0 HD2 PRO A 40 -0.075 12.483 6.011 1.00 0.54 H new ATOM 0 HD3 PRO A 40 0.556 11.940 7.553 1.00 0.54 H new ATOM 615 N PHE A 41 -3.277 10.929 5.281 1.00 0.36 N ATOM 616 CA PHE A 41 -4.227 10.737 4.145 1.00 0.35 C ATOM 617 C PHE A 41 -4.447 9.239 3.868 1.00 0.28 C ATOM 618 O PHE A 41 -5.568 8.787 3.769 1.00 0.30 O ATOM 619 CB PHE A 41 -3.647 11.406 2.904 1.00 0.34 C ATOM 620 CG PHE A 41 -3.810 12.926 3.016 1.00 0.50 C ATOM 621 CD1 PHE A 41 -4.984 13.539 2.606 1.00 0.62 C ATOM 622 CD2 PHE A 41 -2.788 13.709 3.526 1.00 0.59 C ATOM 623 CE1 PHE A 41 -5.129 14.908 2.707 1.00 0.75 C ATOM 624 CE2 PHE A 41 -2.937 15.077 3.625 1.00 0.75 C ATOM 625 CZ PHE A 41 -4.107 15.676 3.215 1.00 0.80 C ATOM 0 H PHE A 41 -2.298 10.741 5.066 1.00 0.36 H new ATOM 0 HA PHE A 41 -5.188 11.183 4.402 1.00 0.35 H new ATOM 0 HB2 PHE A 41 -2.593 11.150 2.800 1.00 0.34 H new ATOM 0 HB3 PHE A 41 -4.154 11.041 2.011 1.00 0.34 H new ATOM 0 HD1 PHE A 41 -5.790 12.942 2.205 1.00 0.62 H new ATOM 0 HD2 PHE A 41 -1.867 13.245 3.849 1.00 0.59 H new ATOM 0 HE1 PHE A 41 -6.047 15.377 2.386 1.00 0.75 H new ATOM 0 HE2 PHE A 41 -2.134 15.679 4.025 1.00 0.75 H new ATOM 0 HZ PHE A 41 -4.222 16.747 3.292 1.00 0.80 H new ATOM 635 N PHE A 42 -3.368 8.504 3.750 1.00 0.22 N ATOM 636 CA PHE A 42 -3.501 7.033 3.475 1.00 0.20 C ATOM 637 C PHE A 42 -3.696 6.256 4.781 1.00 0.20 C ATOM 638 O PHE A 42 -4.297 5.199 4.796 1.00 0.20 O ATOM 639 CB PHE A 42 -2.227 6.537 2.782 1.00 0.18 C ATOM 640 CG PHE A 42 -2.344 5.031 2.515 1.00 0.16 C ATOM 641 CD1 PHE A 42 -3.236 4.557 1.570 1.00 0.17 C ATOM 642 CD2 PHE A 42 -1.562 4.121 3.216 1.00 0.15 C ATOM 643 CE1 PHE A 42 -3.346 3.203 1.327 1.00 0.16 C ATOM 644 CE2 PHE A 42 -1.678 2.767 2.970 1.00 0.14 C ATOM 645 CZ PHE A 42 -2.569 2.310 2.027 1.00 0.14 C ATOM 0 H PHE A 42 -2.412 8.850 3.830 1.00 0.22 H new ATOM 0 HA PHE A 42 -4.369 6.870 2.836 1.00 0.20 H new ATOM 0 HB2 PHE A 42 -2.078 7.073 1.845 1.00 0.18 H new ATOM 0 HB3 PHE A 42 -1.357 6.740 3.407 1.00 0.18 H new ATOM 0 HD1 PHE A 42 -3.851 5.252 1.018 1.00 0.17 H new ATOM 0 HD2 PHE A 42 -0.860 4.474 3.957 1.00 0.15 H new ATOM 0 HE1 PHE A 42 -4.044 2.844 0.585 1.00 0.16 H new ATOM 0 HE2 PHE A 42 -1.068 2.065 3.519 1.00 0.14 H new ATOM 0 HZ PHE A 42 -2.658 1.251 1.836 1.00 0.14 H new ATOM 655 N HIS A 43 -3.183 6.797 5.844 1.00 0.23 N ATOM 656 CA HIS A 43 -3.306 6.105 7.161 1.00 0.26 C ATOM 657 C HIS A 43 -4.642 6.455 7.833 1.00 0.25 C ATOM 658 O HIS A 43 -5.142 5.706 8.649 1.00 0.36 O ATOM 659 CB HIS A 43 -2.154 6.560 8.051 1.00 0.27 C ATOM 660 CG HIS A 43 -2.002 5.607 9.234 1.00 0.30 C ATOM 661 ND1 HIS A 43 -2.844 4.743 9.571 1.00 0.31 N ATOM 662 CD2 HIS A 43 -0.965 5.487 10.142 1.00 0.35 C ATOM 663 CE1 HIS A 43 -2.454 4.093 10.591 1.00 0.34 C ATOM 664 NE2 HIS A 43 -1.260 4.499 11.026 1.00 0.38 N ATOM 0 H HIS A 43 -2.684 7.686 5.864 1.00 0.23 H new ATOM 0 HA HIS A 43 -3.271 5.026 7.010 1.00 0.26 H new ATOM 0 HB2 HIS A 43 -1.229 6.590 7.476 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -2.339 7.572 8.410 1.00 0.27 H new ATOM 0 HD1 HIS A 43 -3.728 4.582 9.089 1.00 0.31 H new ATOM 0 HD2 HIS A 43 -0.065 6.084 10.147 1.00 0.35 H new ATOM 0 HE1 HIS A 43 -3.025 3.301 11.053 1.00 0.34 H new ATOM 672 N SER A 44 -5.191 7.586 7.475 1.00 0.23 N ATOM 673 CA SER A 44 -6.486 8.003 8.097 1.00 0.24 C ATOM 674 C SER A 44 -7.657 7.211 7.503 1.00 0.28 C ATOM 675 O SER A 44 -8.788 7.375 7.916 1.00 0.44 O ATOM 676 CB SER A 44 -6.702 9.494 7.845 1.00 0.27 C ATOM 677 OG SER A 44 -6.746 9.605 6.431 1.00 1.17 O ATOM 0 H SER A 44 -4.806 8.233 6.787 1.00 0.23 H new ATOM 0 HA SER A 44 -6.442 7.803 9.168 1.00 0.24 H new ATOM 0 HB2 SER A 44 -7.628 9.845 8.301 1.00 0.27 H new ATOM 0 HB3 SER A 44 -5.893 10.091 8.266 1.00 0.27 H new ATOM 0 HG SER A 44 -6.133 10.311 6.139 1.00 1.17 H new ATOM 683 N LEU A 45 -7.367 6.372 6.549 1.00 0.29 N ATOM 684 CA LEU A 45 -8.463 5.567 5.929 1.00 0.32 C ATOM 685 C LEU A 45 -8.735 4.309 6.760 1.00 0.36 C ATOM 686 O LEU A 45 -9.733 3.642 6.571 1.00 0.47 O ATOM 687 CB LEU A 45 -8.054 5.163 4.513 1.00 0.32 C ATOM 688 CG LEU A 45 -7.821 6.424 3.670 1.00 0.40 C ATOM 689 CD1 LEU A 45 -7.319 6.014 2.285 1.00 0.37 C ATOM 690 CD2 LEU A 45 -9.136 7.200 3.516 1.00 0.54 C ATOM 0 H LEU A 45 -6.433 6.208 6.174 1.00 0.29 H new ATOM 0 HA LEU A 45 -9.371 6.170 5.895 1.00 0.32 H new ATOM 0 HB2 LEU A 45 -7.147 4.560 4.543 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -8.831 4.548 4.060 1.00 0.32 H new ATOM 0 HG LEU A 45 -7.084 7.057 4.165 1.00 0.40 H new ATOM 0 HD11 LEU A 45 -7.151 6.905 1.680 1.00 0.37 H new ATOM 0 HD12 LEU A 45 -6.384 5.462 2.385 1.00 0.37 H new ATOM 0 HD13 LEU A 45 -8.063 5.382 1.801 1.00 0.37 H new ATOM 0 HD21 LEU A 45 -8.963 8.094 2.917 1.00 0.54 H new ATOM 0 HD22 LEU A 45 -9.875 6.569 3.022 1.00 0.54 H new ATOM 0 HD23 LEU A 45 -9.505 7.489 4.500 1.00 0.54 H new ATOM 702 N SER A 46 -7.844 4.012 7.666 1.00 0.31 N ATOM 703 CA SER A 46 -8.041 2.800 8.515 1.00 0.37 C ATOM 704 C SER A 46 -9.394 2.874 9.234 1.00 0.38 C ATOM 705 O SER A 46 -9.970 1.864 9.585 1.00 0.47 O ATOM 706 CB SER A 46 -6.920 2.722 9.550 1.00 0.39 C ATOM 707 OG SER A 46 -7.596 2.474 10.774 1.00 1.23 O ATOM 0 H SER A 46 -6.997 4.548 7.855 1.00 0.31 H new ATOM 0 HA SER A 46 -8.023 1.913 7.882 1.00 0.37 H new ATOM 0 HB2 SER A 46 -6.215 1.924 9.315 1.00 0.39 H new ATOM 0 HB3 SER A 46 -6.349 3.650 9.591 1.00 0.39 H new ATOM 0 HG SER A 46 -6.942 2.407 11.501 1.00 1.23 H new ATOM 713 N GLU A 47 -9.871 4.074 9.438 1.00 0.31 N ATOM 714 CA GLU A 47 -11.183 4.235 10.135 1.00 0.36 C ATOM 715 C GLU A 47 -12.319 4.354 9.111 1.00 0.31 C ATOM 716 O GLU A 47 -13.332 3.695 9.227 1.00 0.27 O ATOM 717 CB GLU A 47 -11.143 5.498 10.996 1.00 0.42 C ATOM 718 CG GLU A 47 -10.087 5.332 12.091 1.00 0.56 C ATOM 719 CD GLU A 47 -10.306 6.397 13.168 1.00 1.43 C ATOM 720 OE1 GLU A 47 -10.668 7.495 12.778 1.00 2.39 O ATOM 721 OE2 GLU A 47 -10.099 6.053 14.320 1.00 1.47 O ATOM 0 H GLU A 47 -9.415 4.942 9.156 1.00 0.31 H new ATOM 0 HA GLU A 47 -11.363 3.361 10.762 1.00 0.36 H new ATOM 0 HB2 GLU A 47 -10.910 6.365 10.379 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -12.121 5.678 11.442 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -10.154 4.336 12.529 1.00 0.56 H new ATOM 0 HG3 GLU A 47 -9.088 5.427 11.666 1.00 0.56 H new ATOM 728 N LYS A 48 -12.124 5.196 8.133 1.00 0.34 N ATOM 729 CA LYS A 48 -13.185 5.371 7.099 1.00 0.34 C ATOM 730 C LYS A 48 -13.524 4.019 6.460 1.00 0.32 C ATOM 731 O LYS A 48 -14.588 3.475 6.681 1.00 0.39 O ATOM 732 CB LYS A 48 -12.685 6.338 6.025 1.00 0.38 C ATOM 733 CG LYS A 48 -13.886 6.908 5.265 1.00 0.68 C ATOM 734 CD LYS A 48 -13.388 7.905 4.217 1.00 1.62 C ATOM 735 CE LYS A 48 -14.577 8.394 3.388 1.00 1.99 C ATOM 736 NZ LYS A 48 -14.107 9.208 2.232 1.00 2.93 N ATOM 0 H LYS A 48 -11.287 5.764 8.005 1.00 0.34 H new ATOM 0 HA LYS A 48 -14.083 5.774 7.567 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -12.112 7.145 6.483 1.00 0.38 H new ATOM 0 HB3 LYS A 48 -12.015 5.822 5.337 1.00 0.38 H new ATOM 0 HG2 LYS A 48 -14.443 6.104 4.784 1.00 0.68 H new ATOM 0 HG3 LYS A 48 -14.570 7.400 5.957 1.00 0.68 H new ATOM 0 HD2 LYS A 48 -12.896 8.748 4.703 1.00 1.62 H new ATOM 0 HD3 LYS A 48 -12.648 7.433 3.571 1.00 1.62 H new ATOM 0 HE2 LYS A 48 -15.153 7.541 3.029 1.00 1.99 H new ATOM 0 HE3 LYS A 48 -15.243 8.989 4.013 1.00 1.99 H new ATOM 0 HZ1 LYS A 48 -14.926 9.532 1.680 1.00 2.93 H new ATOM 0 HZ2 LYS A 48 -13.577 10.032 2.580 1.00 2.93 H new ATOM 0 HZ3 LYS A 48 -13.489 8.629 1.628 1.00 2.93 H new ATOM 750 N TYR A 49 -12.611 3.506 5.681 1.00 0.28 N ATOM 751 CA TYR A 49 -12.863 2.188 5.029 1.00 0.31 C ATOM 752 C TYR A 49 -12.485 1.051 5.986 1.00 0.33 C ATOM 753 O TYR A 49 -11.324 0.733 6.145 1.00 0.42 O ATOM 754 CB TYR A 49 -12.015 2.084 3.764 1.00 0.34 C ATOM 755 CG TYR A 49 -12.584 3.009 2.686 1.00 0.28 C ATOM 756 CD1 TYR A 49 -13.691 2.633 1.955 1.00 0.28 C ATOM 757 CD2 TYR A 49 -11.996 4.232 2.430 1.00 0.27 C ATOM 758 CE1 TYR A 49 -14.204 3.467 0.981 1.00 0.23 C ATOM 759 CE2 TYR A 49 -12.509 5.065 1.457 1.00 0.25 C ATOM 760 CZ TYR A 49 -13.617 4.689 0.725 1.00 0.20 C ATOM 761 OH TYR A 49 -14.130 5.522 -0.248 1.00 0.19 O ATOM 0 H TYR A 49 -11.711 3.936 5.469 1.00 0.28 H new ATOM 0 HA TYR A 49 -13.920 2.108 4.776 1.00 0.31 H new ATOM 0 HB2 TYR A 49 -10.983 2.356 3.983 1.00 0.34 H new ATOM 0 HB3 TYR A 49 -12.004 1.055 3.405 1.00 0.34 H new ATOM 0 HD1 TYR A 49 -14.160 1.679 2.146 1.00 0.28 H new ATOM 0 HD2 TYR A 49 -11.128 4.539 2.995 1.00 0.27 H new ATOM 0 HE1 TYR A 49 -15.071 3.160 0.415 1.00 0.23 H new ATOM 0 HE2 TYR A 49 -12.040 6.019 1.267 1.00 0.25 H new ATOM 0 HH TYR A 49 -13.594 6.341 -0.293 1.00 0.19 H new ATOM 771 N SER A 50 -13.474 0.464 6.604 1.00 0.33 N ATOM 772 CA SER A 50 -13.182 -0.648 7.557 1.00 0.37 C ATOM 773 C SER A 50 -13.306 -2.004 6.854 1.00 0.50 C ATOM 774 O SER A 50 -13.037 -3.034 7.439 1.00 0.61 O ATOM 775 CB SER A 50 -14.174 -0.584 8.717 1.00 0.37 C ATOM 776 OG SER A 50 -15.419 -0.935 8.131 1.00 0.48 O ATOM 0 H SER A 50 -14.460 0.701 6.493 1.00 0.33 H new ATOM 0 HA SER A 50 -12.163 -0.540 7.929 1.00 0.37 H new ATOM 0 HB2 SER A 50 -13.900 -1.275 9.514 1.00 0.37 H new ATOM 0 HB3 SER A 50 -14.208 0.413 9.157 1.00 0.37 H new ATOM 0 HG SER A 50 -16.119 -0.920 8.817 1.00 0.48 H new ATOM 782 N ASN A 51 -13.711 -1.973 5.612 1.00 0.53 N ATOM 783 CA ASN A 51 -13.859 -3.252 4.853 1.00 0.69 C ATOM 784 C ASN A 51 -12.646 -3.473 3.940 1.00 0.70 C ATOM 785 O ASN A 51 -12.378 -4.579 3.518 1.00 1.26 O ATOM 786 CB ASN A 51 -15.127 -3.183 4.004 1.00 0.77 C ATOM 787 CG ASN A 51 -15.509 -4.594 3.551 1.00 0.99 C ATOM 788 OD1 ASN A 51 -15.588 -4.878 2.372 1.00 0.49 O ATOM 789 ND2 ASN A 51 -15.752 -5.505 4.453 1.00 2.24 N ATOM 0 H ASN A 51 -13.944 -1.126 5.093 1.00 0.53 H new ATOM 0 HA ASN A 51 -13.924 -4.081 5.557 1.00 0.69 H new ATOM 0 HB2 ASN A 51 -15.940 -2.741 4.579 1.00 0.77 H new ATOM 0 HB3 ASN A 51 -14.964 -2.542 3.138 1.00 0.77 H new ATOM 0 HD21 ASN A 51 -16.007 -6.450 4.167 1.00 2.24 H new ATOM 0 HD22 ASN A 51 -15.687 -5.272 5.444 1.00 2.24 H new ATOM 796 N VAL A 52 -11.938 -2.414 3.659 1.00 0.14 N ATOM 797 CA VAL A 52 -10.743 -2.547 2.773 1.00 0.13 C ATOM 798 C VAL A 52 -9.490 -2.822 3.607 1.00 0.15 C ATOM 799 O VAL A 52 -9.436 -2.486 4.774 1.00 0.34 O ATOM 800 CB VAL A 52 -10.553 -1.247 1.995 1.00 0.20 C ATOM 801 CG1 VAL A 52 -9.330 -1.374 1.088 1.00 0.34 C ATOM 802 CG2 VAL A 52 -11.792 -0.987 1.137 1.00 0.08 C ATOM 0 H VAL A 52 -12.130 -1.472 3.999 1.00 0.14 H new ATOM 0 HA VAL A 52 -10.900 -3.378 2.086 1.00 0.13 H new ATOM 0 HB VAL A 52 -10.408 -0.421 2.692 1.00 0.20 H new ATOM 0 HG11 VAL A 52 -9.192 -0.447 0.531 1.00 0.34 H new ATOM 0 HG12 VAL A 52 -8.446 -1.568 1.695 1.00 0.34 H new ATOM 0 HG13 VAL A 52 -9.479 -2.198 0.390 1.00 0.34 H new ATOM 0 HG21 VAL A 52 -11.661 -0.060 0.580 1.00 0.08 H new ATOM 0 HG22 VAL A 52 -11.931 -1.813 0.439 1.00 0.08 H new ATOM 0 HG23 VAL A 52 -12.668 -0.903 1.780 1.00 0.08 H new ATOM 812 N ILE A 53 -8.507 -3.427 2.985 1.00 0.05 N ATOM 813 CA ILE A 53 -7.243 -3.725 3.720 1.00 0.12 C ATOM 814 C ILE A 53 -6.156 -2.742 3.285 1.00 0.05 C ATOM 815 O ILE A 53 -6.060 -2.395 2.120 1.00 0.11 O ATOM 816 CB ILE A 53 -6.801 -5.159 3.401 1.00 0.26 C ATOM 817 CG1 ILE A 53 -7.972 -6.130 3.669 1.00 0.58 C ATOM 818 CG2 ILE A 53 -5.587 -5.537 4.270 1.00 0.28 C ATOM 819 CD1 ILE A 53 -8.502 -5.941 5.098 1.00 1.18 C ATOM 0 H ILE A 53 -8.526 -3.724 2.009 1.00 0.05 H new ATOM 0 HA ILE A 53 -7.409 -3.625 4.793 1.00 0.12 H new ATOM 0 HB ILE A 53 -6.515 -5.226 2.351 1.00 0.26 H new ATOM 0 HG12 ILE A 53 -8.772 -5.953 2.950 1.00 0.58 H new ATOM 0 HG13 ILE A 53 -7.640 -7.159 3.530 1.00 0.58 H new ATOM 0 HG21 ILE A 53 -5.278 -6.556 4.039 1.00 0.28 H new ATOM 0 HG22 ILE A 53 -4.764 -4.852 4.063 1.00 0.28 H new ATOM 0 HG23 ILE A 53 -5.859 -5.470 5.323 1.00 0.28 H new ATOM 0 HD11 ILE A 53 -9.327 -6.631 5.274 1.00 1.18 H new ATOM 0 HD12 ILE A 53 -7.703 -6.141 5.812 1.00 1.18 H new ATOM 0 HD13 ILE A 53 -8.853 -4.917 5.223 1.00 1.18 H new ATOM 831 N PHE A 54 -5.361 -2.318 4.231 1.00 0.13 N ATOM 832 CA PHE A 54 -4.281 -1.339 3.911 1.00 0.15 C ATOM 833 C PHE A 54 -2.937 -1.819 4.465 1.00 0.15 C ATOM 834 O PHE A 54 -2.850 -2.247 5.598 1.00 0.18 O ATOM 835 CB PHE A 54 -4.639 0.000 4.550 1.00 0.26 C ATOM 836 CG PHE A 54 -5.954 0.511 3.955 1.00 0.26 C ATOM 837 CD1 PHE A 54 -5.957 1.239 2.777 1.00 0.27 C ATOM 838 CD2 PHE A 54 -7.160 0.252 4.588 1.00 0.26 C ATOM 839 CE1 PHE A 54 -7.144 1.700 2.242 1.00 0.28 C ATOM 840 CE2 PHE A 54 -8.345 0.715 4.050 1.00 0.26 C ATOM 841 CZ PHE A 54 -8.336 1.439 2.880 1.00 0.27 C ATOM 0 H PHE A 54 -5.412 -2.606 5.208 1.00 0.13 H new ATOM 0 HA PHE A 54 -4.194 -1.239 2.829 1.00 0.15 H new ATOM 0 HB2 PHE A 54 -4.735 -0.114 5.630 1.00 0.26 H new ATOM 0 HB3 PHE A 54 -3.843 0.723 4.376 1.00 0.26 H new ATOM 0 HD1 PHE A 54 -5.025 1.448 2.273 1.00 0.27 H new ATOM 0 HD2 PHE A 54 -7.173 -0.315 5.507 1.00 0.26 H new ATOM 0 HE1 PHE A 54 -7.137 2.266 1.322 1.00 0.28 H new ATOM 0 HE2 PHE A 54 -9.280 0.508 4.549 1.00 0.26 H new ATOM 0 HZ PHE A 54 -9.263 1.802 2.462 1.00 0.27 H new ATOM 851 N LEU A 55 -1.922 -1.738 3.644 1.00 0.11 N ATOM 852 CA LEU A 55 -0.563 -2.167 4.093 1.00 0.11 C ATOM 853 C LEU A 55 0.443 -1.040 3.841 1.00 0.11 C ATOM 854 O LEU A 55 0.218 -0.175 3.017 1.00 0.18 O ATOM 855 CB LEU A 55 -0.126 -3.413 3.314 1.00 0.18 C ATOM 856 CG LEU A 55 -1.353 -4.297 3.018 1.00 0.34 C ATOM 857 CD1 LEU A 55 -2.124 -3.747 1.812 1.00 0.53 C ATOM 858 CD2 LEU A 55 -0.881 -5.714 2.689 1.00 0.39 C ATOM 0 H LEU A 55 -1.975 -1.395 2.685 1.00 0.11 H new ATOM 0 HA LEU A 55 -0.598 -2.397 5.158 1.00 0.11 H new ATOM 0 HB2 LEU A 55 0.357 -3.120 2.382 1.00 0.18 H new ATOM 0 HB3 LEU A 55 0.609 -3.975 3.890 1.00 0.18 H new ATOM 0 HG LEU A 55 -2.003 -4.303 3.893 1.00 0.34 H new ATOM 0 HD11 LEU A 55 -2.988 -4.380 1.613 1.00 0.53 H new ATOM 0 HD12 LEU A 55 -2.459 -2.732 2.026 1.00 0.53 H new ATOM 0 HD13 LEU A 55 -1.473 -3.737 0.938 1.00 0.53 H new ATOM 0 HD21 LEU A 55 -1.744 -6.345 2.478 1.00 0.39 H new ATOM 0 HD22 LEU A 55 -0.230 -5.687 1.816 1.00 0.39 H new ATOM 0 HD23 LEU A 55 -0.332 -6.121 3.538 1.00 0.39 H new ATOM 870 N GLU A 56 1.529 -1.081 4.559 1.00 0.10 N ATOM 871 CA GLU A 56 2.576 -0.026 4.393 1.00 0.10 C ATOM 872 C GLU A 56 3.958 -0.688 4.311 1.00 0.13 C ATOM 873 O GLU A 56 4.294 -1.513 5.137 1.00 0.44 O ATOM 874 CB GLU A 56 2.533 0.913 5.598 1.00 0.06 C ATOM 875 CG GLU A 56 2.594 2.361 5.106 1.00 0.68 C ATOM 876 CD GLU A 56 2.841 3.289 6.297 1.00 0.80 C ATOM 877 OE1 GLU A 56 3.998 3.394 6.671 1.00 0.59 O ATOM 878 OE2 GLU A 56 1.859 3.841 6.766 1.00 1.84 O ATOM 0 H GLU A 56 1.741 -1.797 5.254 1.00 0.10 H new ATOM 0 HA GLU A 56 2.390 0.538 3.479 1.00 0.10 H new ATOM 0 HB2 GLU A 56 1.620 0.748 6.171 1.00 0.06 H new ATOM 0 HB3 GLU A 56 3.370 0.707 6.266 1.00 0.06 H new ATOM 0 HG2 GLU A 56 3.391 2.474 4.371 1.00 0.68 H new ATOM 0 HG3 GLU A 56 1.661 2.628 4.609 1.00 0.68 H new ATOM 885 N VAL A 57 4.726 -0.312 3.316 1.00 0.22 N ATOM 886 CA VAL A 57 6.091 -0.921 3.163 1.00 0.22 C ATOM 887 C VAL A 57 7.174 0.156 3.242 1.00 0.20 C ATOM 888 O VAL A 57 7.064 1.202 2.633 1.00 0.15 O ATOM 889 CB VAL A 57 6.177 -1.621 1.808 1.00 0.19 C ATOM 890 CG1 VAL A 57 7.624 -2.059 1.560 1.00 0.23 C ATOM 891 CG2 VAL A 57 5.273 -2.854 1.819 1.00 0.28 C ATOM 0 H VAL A 57 4.474 0.380 2.611 1.00 0.22 H new ATOM 0 HA VAL A 57 6.249 -1.637 3.969 1.00 0.22 H new ATOM 0 HB VAL A 57 5.858 -0.939 1.020 1.00 0.19 H new ATOM 0 HG11 VAL A 57 7.692 -2.560 0.594 1.00 0.23 H new ATOM 0 HG12 VAL A 57 8.274 -1.184 1.562 1.00 0.23 H new ATOM 0 HG13 VAL A 57 7.936 -2.745 2.347 1.00 0.23 H new ATOM 0 HG21 VAL A 57 5.331 -3.357 0.854 1.00 0.28 H new ATOM 0 HG22 VAL A 57 5.598 -3.537 2.604 1.00 0.28 H new ATOM 0 HG23 VAL A 57 4.244 -2.549 2.007 1.00 0.28 H new ATOM 901 N ASP A 58 8.202 -0.126 3.997 1.00 0.26 N ATOM 902 CA ASP A 58 9.313 0.858 4.124 1.00 0.25 C ATOM 903 C ASP A 58 10.438 0.493 3.152 1.00 0.23 C ATOM 904 O ASP A 58 11.035 -0.560 3.257 1.00 0.20 O ATOM 905 CB ASP A 58 9.845 0.829 5.556 1.00 0.32 C ATOM 906 CG ASP A 58 10.817 1.994 5.762 1.00 0.34 C ATOM 907 OD1 ASP A 58 10.811 2.864 4.907 1.00 1.18 O ATOM 908 OD2 ASP A 58 11.514 1.945 6.763 1.00 0.92 O ATOM 0 H ASP A 58 8.319 -0.989 4.527 1.00 0.26 H new ATOM 0 HA ASP A 58 8.946 1.857 3.888 1.00 0.25 H new ATOM 0 HB2 ASP A 58 9.019 0.901 6.264 1.00 0.32 H new ATOM 0 HB3 ASP A 58 10.349 -0.118 5.749 1.00 0.32 H new ATOM 913 N VAL A 59 10.701 1.370 2.223 1.00 0.25 N ATOM 914 CA VAL A 59 11.780 1.083 1.232 1.00 0.24 C ATOM 915 C VAL A 59 13.162 1.235 1.885 1.00 0.25 C ATOM 916 O VAL A 59 14.103 1.672 1.251 1.00 0.45 O ATOM 917 CB VAL A 59 11.650 2.058 0.058 1.00 0.20 C ATOM 918 CG1 VAL A 59 10.365 1.745 -0.711 1.00 0.14 C ATOM 919 CG2 VAL A 59 11.576 3.494 0.585 1.00 0.20 C ATOM 0 H VAL A 59 10.223 2.263 2.106 1.00 0.25 H new ATOM 0 HA VAL A 59 11.678 0.058 0.876 1.00 0.24 H new ATOM 0 HB VAL A 59 12.515 1.954 -0.597 1.00 0.20 H new ATOM 0 HG11 VAL A 59 10.265 2.435 -1.549 1.00 0.14 H new ATOM 0 HG12 VAL A 59 10.405 0.722 -1.086 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.508 1.854 -0.047 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.484 4.185 -0.253 1.00 0.20 H new ATOM 0 HG22 VAL A 59 10.709 3.598 1.238 1.00 0.20 H new ATOM 0 HG23 VAL A 59 12.482 3.723 1.146 1.00 0.20 H new ATOM 929 N ASP A 60 13.248 0.868 3.139 1.00 0.14 N ATOM 930 CA ASP A 60 14.553 0.981 3.861 1.00 0.14 C ATOM 931 C ASP A 60 14.850 -0.319 4.618 1.00 0.22 C ATOM 932 O ASP A 60 15.951 -0.831 4.568 1.00 0.35 O ATOM 933 CB ASP A 60 14.472 2.140 4.853 1.00 0.26 C ATOM 934 CG ASP A 60 15.862 2.411 5.433 1.00 0.27 C ATOM 935 OD1 ASP A 60 16.609 3.089 4.749 1.00 1.03 O ATOM 936 OD2 ASP A 60 16.096 1.924 6.527 1.00 0.65 O ATOM 0 H ASP A 60 12.476 0.497 3.692 1.00 0.14 H new ATOM 0 HA ASP A 60 15.351 1.161 3.141 1.00 0.14 H new ATOM 0 HB2 ASP A 60 14.093 3.033 4.356 1.00 0.26 H new ATOM 0 HB3 ASP A 60 13.772 1.900 5.654 1.00 0.26 H new ATOM 941 N ASP A 61 13.855 -0.821 5.303 1.00 0.27 N ATOM 942 CA ASP A 61 14.050 -2.087 6.075 1.00 0.46 C ATOM 943 C ASP A 61 13.401 -3.263 5.333 1.00 0.50 C ATOM 944 O ASP A 61 13.475 -4.393 5.774 1.00 0.81 O ATOM 945 CB ASP A 61 13.407 -1.932 7.453 1.00 0.58 C ATOM 946 CG ASP A 61 13.353 -3.295 8.147 1.00 0.76 C ATOM 947 OD1 ASP A 61 14.420 -3.755 8.520 1.00 0.79 O ATOM 948 OD2 ASP A 61 12.248 -3.800 8.266 1.00 1.45 O ATOM 0 H ASP A 61 12.922 -0.413 5.362 1.00 0.27 H new ATOM 0 HA ASP A 61 15.116 -2.286 6.183 1.00 0.46 H new ATOM 0 HB2 ASP A 61 13.980 -1.227 8.056 1.00 0.58 H new ATOM 0 HB3 ASP A 61 12.402 -1.523 7.353 1.00 0.58 H new ATOM 953 N CYS A 62 12.782 -2.965 4.220 1.00 0.27 N ATOM 954 CA CYS A 62 12.118 -4.048 3.428 1.00 0.30 C ATOM 955 C CYS A 62 12.426 -3.873 1.939 1.00 0.27 C ATOM 956 O CYS A 62 11.626 -4.216 1.091 1.00 0.31 O ATOM 957 CB CYS A 62 10.608 -3.975 3.648 1.00 0.31 C ATOM 958 SG CYS A 62 10.028 -3.578 5.316 1.00 0.36 S ATOM 0 H CYS A 62 12.707 -2.027 3.826 1.00 0.27 H new ATOM 0 HA CYS A 62 12.494 -5.017 3.756 1.00 0.30 H new ATOM 0 HB2 CYS A 62 10.204 -3.229 2.964 1.00 0.31 H new ATOM 0 HB3 CYS A 62 10.179 -4.935 3.362 1.00 0.31 H new ATOM 0 HG CYS A 62 8.728 -3.554 5.329 1.00 0.36 H new ATOM 964 N GLN A 63 13.584 -3.342 1.652 1.00 0.29 N ATOM 965 CA GLN A 63 13.961 -3.135 0.229 1.00 0.26 C ATOM 966 C GLN A 63 13.820 -4.446 -0.548 1.00 0.31 C ATOM 967 O GLN A 63 13.847 -4.458 -1.763 1.00 0.30 O ATOM 968 CB GLN A 63 15.408 -2.652 0.158 1.00 0.32 C ATOM 969 CG GLN A 63 15.506 -1.268 0.804 1.00 1.12 C ATOM 970 CD GLN A 63 16.960 -0.989 1.187 1.00 1.38 C ATOM 971 OE1 GLN A 63 17.667 -1.857 1.662 1.00 1.35 O ATOM 972 NE2 GLN A 63 17.447 0.206 0.998 1.00 2.28 N ATOM 0 H GLN A 63 14.279 -3.045 2.337 1.00 0.29 H new ATOM 0 HA GLN A 63 13.301 -2.389 -0.213 1.00 0.26 H new ATOM 0 HB2 GLN A 63 16.064 -3.354 0.672 1.00 0.32 H new ATOM 0 HB3 GLN A 63 15.739 -2.607 -0.880 1.00 0.32 H new ATOM 0 HG2 GLN A 63 15.148 -0.505 0.113 1.00 1.12 H new ATOM 0 HG3 GLN A 63 14.870 -1.221 1.688 1.00 1.12 H new ATOM 0 HE21 GLN A 63 16.860 0.939 0.600 1.00 2.28 H new ATOM 0 HE22 GLN A 63 18.415 0.408 1.248 1.00 2.28 H new ATOM 981 N ASP A 64 13.672 -5.522 0.172 1.00 0.37 N ATOM 982 CA ASP A 64 13.529 -6.840 -0.499 1.00 0.45 C ATOM 983 C ASP A 64 12.179 -6.921 -1.207 1.00 0.43 C ATOM 984 O ASP A 64 12.048 -7.535 -2.246 1.00 0.60 O ATOM 985 CB ASP A 64 13.628 -7.951 0.545 1.00 0.53 C ATOM 986 CG ASP A 64 12.514 -7.773 1.580 1.00 0.29 C ATOM 987 OD1 ASP A 64 12.342 -6.641 1.999 1.00 1.15 O ATOM 988 OD2 ASP A 64 11.899 -8.779 1.892 1.00 1.46 O ATOM 0 H ASP A 64 13.644 -5.545 1.191 1.00 0.37 H new ATOM 0 HA ASP A 64 14.323 -6.957 -1.236 1.00 0.45 H new ATOM 0 HB2 ASP A 64 13.542 -8.926 0.065 1.00 0.53 H new ATOM 0 HB3 ASP A 64 14.602 -7.921 1.033 1.00 0.53 H new ATOM 993 N VAL A 65 11.209 -6.294 -0.620 1.00 0.35 N ATOM 994 CA VAL A 65 9.855 -6.305 -1.221 1.00 0.31 C ATOM 995 C VAL A 65 9.713 -5.161 -2.218 1.00 0.32 C ATOM 996 O VAL A 65 9.002 -5.265 -3.195 1.00 0.34 O ATOM 997 CB VAL A 65 8.830 -6.145 -0.120 1.00 0.24 C ATOM 998 CG1 VAL A 65 7.435 -6.432 -0.678 1.00 0.22 C ATOM 999 CG2 VAL A 65 9.143 -7.135 1.005 1.00 0.22 C ATOM 0 H VAL A 65 11.294 -5.773 0.252 1.00 0.35 H new ATOM 0 HA VAL A 65 9.699 -7.248 -1.744 1.00 0.31 H new ATOM 0 HB VAL A 65 8.862 -5.127 0.268 1.00 0.24 H new ATOM 0 HG11 VAL A 65 6.695 -6.317 0.114 1.00 0.22 H new ATOM 0 HG12 VAL A 65 7.215 -5.732 -1.484 1.00 0.22 H new ATOM 0 HG13 VAL A 65 7.399 -7.451 -1.062 1.00 0.22 H new ATOM 0 HG21 VAL A 65 8.408 -7.025 1.802 1.00 0.22 H new ATOM 0 HG22 VAL A 65 9.106 -8.152 0.615 1.00 0.22 H new ATOM 0 HG23 VAL A 65 10.139 -6.934 1.400 1.00 0.22 H new ATOM 1009 N ALA A 66 10.388 -4.091 -1.944 1.00 0.33 N ATOM 1010 CA ALA A 66 10.318 -2.933 -2.864 1.00 0.35 C ATOM 1011 C ALA A 66 11.037 -3.269 -4.164 1.00 0.43 C ATOM 1012 O ALA A 66 10.554 -2.989 -5.242 1.00 0.46 O ATOM 1013 CB ALA A 66 10.982 -1.726 -2.209 1.00 0.37 C ATOM 0 H ALA A 66 10.984 -3.966 -1.126 1.00 0.33 H new ATOM 0 HA ALA A 66 9.275 -2.702 -3.080 1.00 0.35 H new ATOM 0 HB1 ALA A 66 10.932 -0.872 -2.884 1.00 0.37 H new ATOM 0 HB2 ALA A 66 10.464 -1.485 -1.281 1.00 0.37 H new ATOM 0 HB3 ALA A 66 12.025 -1.957 -1.993 1.00 0.37 H new ATOM 1019 N SER A 67 12.176 -3.869 -4.027 1.00 0.46 N ATOM 1020 CA SER A 67 12.958 -4.244 -5.232 1.00 0.55 C ATOM 1021 C SER A 67 12.250 -5.376 -5.978 1.00 0.58 C ATOM 1022 O SER A 67 12.647 -5.758 -7.061 1.00 0.70 O ATOM 1023 CB SER A 67 14.351 -4.704 -4.808 1.00 0.68 C ATOM 1024 OG SER A 67 14.928 -3.552 -4.212 1.00 2.02 O ATOM 0 H SER A 67 12.602 -4.118 -3.134 1.00 0.46 H new ATOM 0 HA SER A 67 13.043 -3.380 -5.891 1.00 0.55 H new ATOM 0 HB2 SER A 67 14.300 -5.534 -4.104 1.00 0.68 H new ATOM 0 HB3 SER A 67 14.935 -5.046 -5.662 1.00 0.68 H new ATOM 0 HG SER A 67 14.712 -3.535 -3.256 1.00 2.02 H new ATOM 1030 N GLU A 68 11.212 -5.887 -5.377 1.00 0.51 N ATOM 1031 CA GLU A 68 10.460 -6.981 -6.020 1.00 0.57 C ATOM 1032 C GLU A 68 9.413 -6.391 -6.959 1.00 0.50 C ATOM 1033 O GLU A 68 9.052 -6.986 -7.955 1.00 0.50 O ATOM 1034 CB GLU A 68 9.781 -7.815 -4.932 1.00 0.62 C ATOM 1035 CG GLU A 68 9.164 -9.058 -5.557 1.00 0.49 C ATOM 1036 CD GLU A 68 10.274 -9.992 -6.045 1.00 2.05 C ATOM 1037 OE1 GLU A 68 11.215 -10.156 -5.285 1.00 3.06 O ATOM 1038 OE2 GLU A 68 10.118 -10.487 -7.148 1.00 2.43 O ATOM 0 H GLU A 68 10.858 -5.589 -4.468 1.00 0.51 H new ATOM 0 HA GLU A 68 11.134 -7.614 -6.597 1.00 0.57 H new ATOM 0 HB2 GLU A 68 10.507 -8.100 -4.171 1.00 0.62 H new ATOM 0 HB3 GLU A 68 9.012 -7.225 -4.434 1.00 0.62 H new ATOM 0 HG2 GLU A 68 8.537 -9.571 -4.828 1.00 0.49 H new ATOM 0 HG3 GLU A 68 8.519 -8.777 -6.390 1.00 0.49 H new ATOM 1045 N CYS A 69 8.952 -5.228 -6.613 1.00 0.44 N ATOM 1046 CA CYS A 69 7.938 -4.550 -7.467 1.00 0.38 C ATOM 1047 C CYS A 69 8.647 -3.647 -8.476 1.00 0.31 C ATOM 1048 O CYS A 69 8.020 -3.003 -9.294 1.00 0.25 O ATOM 1049 CB CYS A 69 7.018 -3.709 -6.583 1.00 0.34 C ATOM 1050 SG CYS A 69 5.759 -4.582 -5.623 1.00 0.38 S ATOM 0 H CYS A 69 9.231 -4.715 -5.777 1.00 0.44 H new ATOM 0 HA CYS A 69 7.348 -5.295 -8.001 1.00 0.38 H new ATOM 0 HB2 CYS A 69 7.641 -3.146 -5.888 1.00 0.34 H new ATOM 0 HB3 CYS A 69 6.513 -2.982 -7.219 1.00 0.34 H new ATOM 0 HG CYS A 69 4.579 -4.279 -6.077 1.00 0.38 H new ATOM 1056 N GLU A 70 9.950 -3.622 -8.389 1.00 0.34 N ATOM 1057 CA GLU A 70 10.741 -2.775 -9.327 1.00 0.31 C ATOM 1058 C GLU A 70 10.236 -1.330 -9.308 1.00 0.17 C ATOM 1059 O GLU A 70 10.045 -0.725 -10.344 1.00 0.10 O ATOM 1060 CB GLU A 70 10.618 -3.343 -10.740 1.00 0.34 C ATOM 1061 CG GLU A 70 11.268 -4.726 -10.782 1.00 1.05 C ATOM 1062 CD GLU A 70 11.182 -5.283 -12.203 1.00 1.12 C ATOM 1063 OE1 GLU A 70 10.233 -4.912 -12.873 1.00 1.16 O ATOM 1064 OE2 GLU A 70 12.070 -6.050 -12.539 1.00 1.73 O ATOM 0 H GLU A 70 10.499 -4.150 -7.711 1.00 0.34 H new ATOM 0 HA GLU A 70 11.785 -2.780 -9.013 1.00 0.31 H new ATOM 0 HB2 GLU A 70 9.569 -3.412 -11.027 1.00 0.34 H new ATOM 0 HB3 GLU A 70 11.102 -2.678 -11.456 1.00 0.34 H new ATOM 0 HG2 GLU A 70 12.310 -4.660 -10.467 1.00 1.05 H new ATOM 0 HG3 GLU A 70 10.766 -5.397 -10.085 1.00 1.05 H new ATOM 1071 N VAL A 71 10.030 -0.805 -8.131 1.00 0.19 N ATOM 1072 CA VAL A 71 9.546 0.609 -8.044 1.00 0.24 C ATOM 1073 C VAL A 71 10.530 1.538 -8.765 1.00 0.79 C ATOM 1074 O VAL A 71 11.637 1.146 -9.075 1.00 1.23 O ATOM 1075 CB VAL A 71 9.439 1.024 -6.576 1.00 0.43 C ATOM 1076 CG1 VAL A 71 8.175 1.864 -6.381 1.00 0.44 C ATOM 1077 CG2 VAL A 71 9.351 -0.227 -5.701 1.00 0.97 C ATOM 0 H VAL A 71 10.171 -1.280 -7.240 1.00 0.19 H new ATOM 0 HA VAL A 71 8.566 0.683 -8.516 1.00 0.24 H new ATOM 0 HB VAL A 71 10.316 1.607 -6.295 1.00 0.43 H new ATOM 0 HG11 VAL A 71 8.094 2.162 -5.336 1.00 0.44 H new ATOM 0 HG12 VAL A 71 8.229 2.753 -7.009 1.00 0.44 H new ATOM 0 HG13 VAL A 71 7.301 1.276 -6.659 1.00 0.44 H new ATOM 0 HG21 VAL A 71 9.275 0.066 -4.654 1.00 0.97 H new ATOM 0 HG22 VAL A 71 8.471 -0.806 -5.981 1.00 0.97 H new ATOM 0 HG23 VAL A 71 10.245 -0.834 -5.844 1.00 0.97 H new ATOM 1087 N LYS A 72 10.107 2.748 -9.018 1.00 0.90 N ATOM 1088 CA LYS A 72 11.014 3.709 -9.719 1.00 1.45 C ATOM 1089 C LYS A 72 10.829 5.126 -9.165 1.00 1.31 C ATOM 1090 O LYS A 72 11.426 6.066 -9.650 1.00 1.49 O ATOM 1091 CB LYS A 72 10.686 3.705 -11.212 1.00 2.02 C ATOM 1092 CG LYS A 72 11.950 4.042 -12.006 1.00 2.50 C ATOM 1093 CD LYS A 72 12.726 2.753 -12.283 1.00 1.80 C ATOM 1094 CE LYS A 72 14.203 3.090 -12.490 1.00 1.41 C ATOM 1095 NZ LYS A 72 14.351 4.210 -13.463 1.00 2.17 N ATOM 0 H LYS A 72 9.186 3.111 -8.774 1.00 0.90 H new ATOM 0 HA LYS A 72 12.047 3.402 -9.558 1.00 1.45 H new ATOM 0 HB2 LYS A 72 10.305 2.728 -11.510 1.00 2.02 H new ATOM 0 HB3 LYS A 72 9.903 4.432 -11.426 1.00 2.02 H new ATOM 0 HG2 LYS A 72 11.686 4.531 -12.944 1.00 2.50 H new ATOM 0 HG3 LYS A 72 12.571 4.741 -11.446 1.00 2.50 H new ATOM 0 HD2 LYS A 72 12.612 2.060 -11.450 1.00 1.80 H new ATOM 0 HD3 LYS A 72 12.326 2.257 -13.167 1.00 1.80 H new ATOM 0 HE2 LYS A 72 14.656 3.365 -11.538 1.00 1.41 H new ATOM 0 HE3 LYS A 72 14.735 2.211 -12.854 1.00 1.41 H new ATOM 0 HZ1 LYS A 72 15.321 4.219 -13.837 1.00 2.17 H new ATOM 0 HZ2 LYS A 72 13.679 4.081 -14.246 1.00 2.17 H new ATOM 0 HZ3 LYS A 72 14.156 5.113 -12.985 1.00 2.17 H new ATOM 1109 N CYS A 73 10.008 5.251 -8.161 1.00 0.99 N ATOM 1110 CA CYS A 73 9.779 6.602 -7.570 1.00 0.83 C ATOM 1111 C CYS A 73 8.778 6.509 -6.418 1.00 0.67 C ATOM 1112 O CYS A 73 7.678 6.022 -6.586 1.00 0.81 O ATOM 1113 CB CYS A 73 9.231 7.536 -8.648 1.00 0.88 C ATOM 1114 SG CYS A 73 8.099 6.825 -9.869 1.00 0.99 S ATOM 0 H CYS A 73 9.490 4.487 -7.727 1.00 0.99 H new ATOM 0 HA CYS A 73 10.723 6.991 -7.188 1.00 0.83 H new ATOM 0 HB2 CYS A 73 8.717 8.359 -8.151 1.00 0.88 H new ATOM 0 HB3 CYS A 73 10.078 7.966 -9.184 1.00 0.88 H new ATOM 0 HG CYS A 73 7.728 7.748 -10.706 1.00 0.99 H new ATOM 1120 N THR A 74 9.183 6.980 -5.270 1.00 0.44 N ATOM 1121 CA THR A 74 8.268 6.928 -4.096 1.00 0.31 C ATOM 1122 C THR A 74 7.550 8.293 -3.934 1.00 0.25 C ATOM 1123 O THR A 74 8.093 9.313 -4.309 1.00 0.31 O ATOM 1124 CB THR A 74 9.100 6.637 -2.840 1.00 0.40 C ATOM 1125 OG1 THR A 74 10.183 7.560 -2.905 1.00 0.50 O ATOM 1126 CG2 THR A 74 9.747 5.256 -2.905 1.00 0.60 C ATOM 0 H THR A 74 10.099 7.394 -5.095 1.00 0.44 H new ATOM 0 HA THR A 74 7.521 6.147 -4.241 1.00 0.31 H new ATOM 0 HB THR A 74 8.471 6.703 -1.952 1.00 0.40 H new ATOM 0 HG1 THR A 74 10.765 7.436 -2.127 1.00 0.50 H new ATOM 0 HG21 THR A 74 10.328 5.084 -1.999 1.00 0.60 H new ATOM 0 HG22 THR A 74 8.972 4.495 -2.989 1.00 0.60 H new ATOM 0 HG23 THR A 74 10.404 5.202 -3.773 1.00 0.60 H new ATOM 1134 N PRO A 75 6.338 8.293 -3.379 1.00 0.17 N ATOM 1135 CA PRO A 75 5.621 7.079 -2.924 1.00 0.15 C ATOM 1136 C PRO A 75 5.026 6.322 -4.125 1.00 0.15 C ATOM 1137 O PRO A 75 4.771 6.911 -5.159 1.00 0.18 O ATOM 1138 CB PRO A 75 4.486 7.605 -2.038 1.00 0.16 C ATOM 1139 CG PRO A 75 4.442 9.155 -2.217 1.00 0.15 C ATOM 1140 CD PRO A 75 5.621 9.547 -3.126 1.00 0.17 C ATOM 0 HA PRO A 75 6.282 6.389 -2.400 1.00 0.15 H new ATOM 0 HB2 PRO A 75 3.535 7.157 -2.325 1.00 0.16 H new ATOM 0 HB3 PRO A 75 4.659 7.343 -0.994 1.00 0.16 H new ATOM 0 HG2 PRO A 75 3.496 9.463 -2.661 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.519 9.655 -1.252 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.271 9.996 -4.055 1.00 0.17 H new ATOM 0 HD3 PRO A 75 6.266 10.280 -2.642 1.00 0.17 H new ATOM 1148 N THR A 76 4.822 5.036 -3.961 1.00 0.14 N ATOM 1149 CA THR A 76 4.244 4.230 -5.081 1.00 0.15 C ATOM 1150 C THR A 76 3.070 3.392 -4.568 1.00 0.15 C ATOM 1151 O THR A 76 3.246 2.493 -3.770 1.00 0.30 O ATOM 1152 CB THR A 76 5.329 3.308 -5.651 1.00 0.15 C ATOM 1153 OG1 THR A 76 6.131 4.156 -6.467 1.00 0.18 O ATOM 1154 CG2 THR A 76 4.741 2.271 -6.606 1.00 0.19 C ATOM 0 H THR A 76 5.029 4.515 -3.109 1.00 0.14 H new ATOM 0 HA THR A 76 3.885 4.899 -5.863 1.00 0.15 H new ATOM 0 HB THR A 76 5.849 2.799 -4.839 1.00 0.15 H new ATOM 0 HG1 THR A 76 6.400 4.946 -5.953 1.00 0.18 H new ATOM 0 HG21 THR A 76 5.539 1.636 -6.990 1.00 0.19 H new ATOM 0 HG22 THR A 76 4.013 1.658 -6.074 1.00 0.19 H new ATOM 0 HG23 THR A 76 4.250 2.778 -7.436 1.00 0.19 H new ATOM 1162 N PHE A 77 1.894 3.704 -5.039 1.00 0.02 N ATOM 1163 CA PHE A 77 0.698 2.939 -4.583 1.00 0.02 C ATOM 1164 C PHE A 77 0.460 1.727 -5.477 1.00 0.02 C ATOM 1165 O PHE A 77 0.471 1.836 -6.688 1.00 0.03 O ATOM 1166 CB PHE A 77 -0.524 3.846 -4.636 1.00 0.02 C ATOM 1167 CG PHE A 77 -0.483 4.810 -3.458 1.00 0.03 C ATOM 1168 CD1 PHE A 77 -0.634 4.335 -2.170 1.00 0.03 C ATOM 1169 CD2 PHE A 77 -0.293 6.165 -3.660 1.00 0.09 C ATOM 1170 CE1 PHE A 77 -0.600 5.204 -1.097 1.00 0.02 C ATOM 1171 CE2 PHE A 77 -0.257 7.032 -2.587 1.00 0.10 C ATOM 1172 CZ PHE A 77 -0.411 6.552 -1.307 1.00 0.06 C ATOM 0 H PHE A 77 1.710 4.447 -5.713 1.00 0.02 H new ATOM 0 HA PHE A 77 0.870 2.594 -3.564 1.00 0.02 H new ATOM 0 HB2 PHE A 77 -0.540 4.400 -5.574 1.00 0.02 H new ATOM 0 HB3 PHE A 77 -1.436 3.250 -4.602 1.00 0.02 H new ATOM 0 HD1 PHE A 77 -0.779 3.278 -2.001 1.00 0.03 H new ATOM 0 HD2 PHE A 77 -0.172 6.547 -4.663 1.00 0.09 H new ATOM 0 HE1 PHE A 77 -0.722 4.826 -0.093 1.00 0.02 H new ATOM 0 HE2 PHE A 77 -0.108 8.089 -2.752 1.00 0.10 H new ATOM 0 HZ PHE A 77 -0.384 7.231 -0.468 1.00 0.06 H new ATOM 1182 N GLN A 78 0.253 0.595 -4.855 1.00 0.05 N ATOM 1183 CA GLN A 78 -0.004 -0.651 -5.647 1.00 0.07 C ATOM 1184 C GLN A 78 -1.318 -1.298 -5.204 1.00 0.09 C ATOM 1185 O GLN A 78 -1.697 -1.220 -4.052 1.00 0.15 O ATOM 1186 CB GLN A 78 1.148 -1.624 -5.438 1.00 0.09 C ATOM 1187 CG GLN A 78 2.168 -1.434 -6.564 1.00 0.20 C ATOM 1188 CD GLN A 78 3.401 -2.295 -6.287 1.00 0.72 C ATOM 1189 OE1 GLN A 78 3.362 -3.505 -6.389 1.00 1.54 O ATOM 1190 NE2 GLN A 78 4.514 -1.712 -5.934 1.00 0.82 N ATOM 0 H GLN A 78 0.250 0.477 -3.842 1.00 0.05 H new ATOM 0 HA GLN A 78 -0.081 -0.396 -6.704 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.618 -1.449 -4.470 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.779 -2.650 -5.433 1.00 0.09 H new ATOM 0 HG2 GLN A 78 1.725 -1.711 -7.521 1.00 0.20 H new ATOM 0 HG3 GLN A 78 2.453 -0.385 -6.637 1.00 0.20 H new ATOM 0 HE21 GLN A 78 4.552 -0.696 -5.847 1.00 0.82 H new ATOM 0 HE22 GLN A 78 5.345 -2.272 -5.745 1.00 0.82 H new ATOM 1199 N PHE A 79 -1.979 -1.928 -6.141 1.00 0.06 N ATOM 1200 CA PHE A 79 -3.285 -2.584 -5.828 1.00 0.07 C ATOM 1201 C PHE A 79 -3.158 -4.103 -5.984 1.00 0.08 C ATOM 1202 O PHE A 79 -2.756 -4.584 -7.026 1.00 0.10 O ATOM 1203 CB PHE A 79 -4.342 -2.059 -6.808 1.00 0.08 C ATOM 1204 CG PHE A 79 -4.727 -0.617 -6.436 1.00 0.11 C ATOM 1205 CD1 PHE A 79 -3.785 0.404 -6.474 1.00 0.13 C ATOM 1206 CD2 PHE A 79 -6.025 -0.315 -6.058 1.00 0.11 C ATOM 1207 CE1 PHE A 79 -4.139 1.694 -6.136 1.00 0.17 C ATOM 1208 CE2 PHE A 79 -6.373 0.979 -5.721 1.00 0.14 C ATOM 1209 CZ PHE A 79 -5.431 1.981 -5.759 1.00 0.17 C ATOM 0 H PHE A 79 -1.671 -2.017 -7.109 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.574 -2.357 -4.802 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -3.954 -2.090 -7.826 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.224 -2.699 -6.783 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.769 0.186 -6.770 1.00 0.13 H new ATOM 0 HD2 PHE A 79 -6.770 -1.096 -6.026 1.00 0.11 H new ATOM 0 HE1 PHE A 79 -3.400 2.481 -6.167 1.00 0.17 H new ATOM 0 HE2 PHE A 79 -7.387 1.205 -5.427 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.705 2.991 -5.493 1.00 0.17 H new ATOM 1219 N PHE A 80 -3.505 -4.827 -4.943 1.00 0.06 N ATOM 1220 CA PHE A 80 -3.413 -6.320 -5.014 1.00 0.07 C ATOM 1221 C PHE A 80 -4.776 -6.948 -4.696 1.00 0.07 C ATOM 1222 O PHE A 80 -5.546 -6.417 -3.911 1.00 0.07 O ATOM 1223 CB PHE A 80 -2.370 -6.809 -4.005 1.00 0.09 C ATOM 1224 CG PHE A 80 -0.968 -6.478 -4.519 1.00 0.07 C ATOM 1225 CD1 PHE A 80 -0.395 -7.223 -5.535 1.00 0.06 C ATOM 1226 CD2 PHE A 80 -0.252 -5.426 -3.974 1.00 0.11 C ATOM 1227 CE1 PHE A 80 0.871 -6.921 -5.996 1.00 0.08 C ATOM 1228 CE2 PHE A 80 1.014 -5.127 -4.435 1.00 0.12 C ATOM 1229 CZ PHE A 80 1.573 -5.875 -5.445 1.00 0.10 C ATOM 0 H PHE A 80 -3.844 -4.452 -4.057 1.00 0.06 H new ATOM 0 HA PHE A 80 -3.117 -6.616 -6.020 1.00 0.07 H new ATOM 0 HB2 PHE A 80 -2.535 -6.336 -3.037 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.470 -7.884 -3.855 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -0.942 -8.046 -5.970 1.00 0.06 H new ATOM 0 HD2 PHE A 80 -0.687 -4.835 -3.182 1.00 0.11 H new ATOM 0 HE1 PHE A 80 1.310 -7.507 -6.790 1.00 0.08 H new ATOM 0 HE2 PHE A 80 1.566 -4.306 -4.003 1.00 0.12 H new ATOM 0 HZ PHE A 80 2.564 -5.641 -5.805 1.00 0.10 H new ATOM 1239 N LYS A 81 -5.046 -8.060 -5.326 1.00 0.15 N ATOM 1240 CA LYS A 81 -6.349 -8.750 -5.087 1.00 0.16 C ATOM 1241 C LYS A 81 -6.165 -10.264 -5.235 1.00 0.14 C ATOM 1242 O LYS A 81 -5.632 -10.731 -6.222 1.00 0.15 O ATOM 1243 CB LYS A 81 -7.369 -8.258 -6.113 1.00 0.19 C ATOM 1244 CG LYS A 81 -8.779 -8.441 -5.547 1.00 0.42 C ATOM 1245 CD LYS A 81 -9.799 -8.290 -6.680 1.00 0.23 C ATOM 1246 CE LYS A 81 -10.953 -7.403 -6.205 1.00 0.59 C ATOM 1247 NZ LYS A 81 -10.524 -5.977 -6.147 1.00 2.43 N ATOM 0 H LYS A 81 -4.425 -8.519 -5.992 1.00 0.15 H new ATOM 0 HA LYS A 81 -6.702 -8.528 -4.080 1.00 0.16 H new ATOM 0 HB2 LYS A 81 -7.191 -7.208 -6.346 1.00 0.19 H new ATOM 0 HB3 LYS A 81 -7.263 -8.814 -7.045 1.00 0.19 H new ATOM 0 HG2 LYS A 81 -8.874 -9.424 -5.085 1.00 0.42 H new ATOM 0 HG3 LYS A 81 -8.970 -7.703 -4.768 1.00 0.42 H new ATOM 0 HD2 LYS A 81 -9.324 -7.850 -7.557 1.00 0.23 H new ATOM 0 HD3 LYS A 81 -10.176 -9.268 -6.979 1.00 0.23 H new ATOM 0 HE2 LYS A 81 -11.802 -7.507 -6.881 1.00 0.59 H new ATOM 0 HE3 LYS A 81 -11.289 -7.729 -5.220 1.00 0.59 H new ATOM 0 HZ1 LYS A 81 -11.362 -5.365 -6.074 1.00 2.43 H new ATOM 0 HZ2 LYS A 81 -9.915 -5.831 -5.316 1.00 2.43 H new ATOM 0 HZ3 LYS A 81 -9.995 -5.738 -7.010 1.00 2.43 H new ATOM 1261 N LYS A 82 -6.610 -10.997 -4.254 1.00 0.23 N ATOM 1262 CA LYS A 82 -6.459 -12.478 -4.327 1.00 0.32 C ATOM 1263 C LYS A 82 -4.981 -12.846 -4.480 1.00 0.33 C ATOM 1264 O LYS A 82 -4.643 -13.992 -4.705 1.00 0.42 O ATOM 1265 CB LYS A 82 -7.242 -13.002 -5.523 1.00 0.35 C ATOM 1266 CG LYS A 82 -7.719 -14.425 -5.221 1.00 1.13 C ATOM 1267 CD LYS A 82 -9.085 -14.367 -4.532 1.00 0.98 C ATOM 1268 CE LYS A 82 -9.557 -15.792 -4.232 1.00 1.71 C ATOM 1269 NZ LYS A 82 -10.973 -15.973 -4.657 1.00 1.44 N ATOM 0 H LYS A 82 -7.067 -10.642 -3.414 1.00 0.23 H new ATOM 0 HA LYS A 82 -6.842 -12.926 -3.410 1.00 0.32 H new ATOM 0 HB2 LYS A 82 -8.095 -12.355 -5.728 1.00 0.35 H new ATOM 0 HB3 LYS A 82 -6.616 -12.996 -6.415 1.00 0.35 H new ATOM 0 HG2 LYS A 82 -7.789 -15.001 -6.144 1.00 1.13 H new ATOM 0 HG3 LYS A 82 -6.998 -14.934 -4.582 1.00 1.13 H new ATOM 0 HD2 LYS A 82 -9.016 -13.792 -3.609 1.00 0.98 H new ATOM 0 HD3 LYS A 82 -9.807 -13.859 -5.171 1.00 0.98 H new ATOM 0 HE2 LYS A 82 -8.921 -16.509 -4.751 1.00 1.71 H new ATOM 0 HE3 LYS A 82 -9.462 -15.996 -3.165 1.00 1.71 H new ATOM 0 HZ1 LYS A 82 -11.277 -16.945 -4.446 1.00 1.44 H new ATOM 0 HZ2 LYS A 82 -11.578 -15.302 -4.143 1.00 1.44 H new ATOM 0 HZ3 LYS A 82 -11.054 -15.799 -5.679 1.00 1.44 H new ATOM 1283 N GLY A 83 -4.132 -11.863 -4.356 1.00 0.26 N ATOM 1284 CA GLY A 83 -2.672 -12.132 -4.491 1.00 0.26 C ATOM 1285 C GLY A 83 -2.207 -11.848 -5.922 1.00 0.26 C ATOM 1286 O GLY A 83 -1.271 -12.455 -6.404 1.00 0.45 O ATOM 0 H GLY A 83 -4.383 -10.892 -4.168 1.00 0.26 H new ATOM 0 HA2 GLY A 83 -2.115 -11.510 -3.791 1.00 0.26 H new ATOM 0 HA3 GLY A 83 -2.462 -13.170 -4.233 1.00 0.26 H new ATOM 1290 N GLN A 84 -2.873 -10.929 -6.572 1.00 0.23 N ATOM 1291 CA GLN A 84 -2.484 -10.590 -7.975 1.00 0.23 C ATOM 1292 C GLN A 84 -2.591 -9.080 -8.206 1.00 0.20 C ATOM 1293 O GLN A 84 -3.572 -8.461 -7.847 1.00 0.18 O ATOM 1294 CB GLN A 84 -3.412 -11.322 -8.947 1.00 0.21 C ATOM 1295 CG GLN A 84 -3.477 -12.802 -8.565 1.00 0.96 C ATOM 1296 CD GLN A 84 -4.344 -13.548 -9.580 1.00 0.89 C ATOM 1297 OE1 GLN A 84 -3.850 -14.266 -10.427 1.00 1.21 O ATOM 1298 NE2 GLN A 84 -5.641 -13.405 -9.530 1.00 1.53 N ATOM 0 H GLN A 84 -3.662 -10.403 -6.197 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.452 -10.899 -8.143 1.00 0.23 H new ATOM 0 HB2 GLN A 84 -4.409 -10.883 -8.917 1.00 0.21 H new ATOM 0 HB3 GLN A 84 -3.047 -11.214 -9.968 1.00 0.21 H new ATOM 0 HG2 GLN A 84 -2.474 -13.228 -8.543 1.00 0.96 H new ATOM 0 HG3 GLN A 84 -3.892 -12.913 -7.563 1.00 0.96 H new ATOM 0 HE21 GLN A 84 -6.061 -12.804 -8.821 1.00 1.53 H new ATOM 0 HE22 GLN A 84 -6.234 -13.895 -10.200 1.00 1.53 H new ATOM 1307 N LYS A 85 -1.573 -8.522 -8.803 1.00 0.22 N ATOM 1308 CA LYS A 85 -1.589 -7.057 -9.065 1.00 0.20 C ATOM 1309 C LYS A 85 -2.641 -6.721 -10.125 1.00 0.18 C ATOM 1310 O LYS A 85 -2.677 -7.325 -11.179 1.00 0.30 O ATOM 1311 CB LYS A 85 -0.200 -6.633 -9.558 1.00 0.22 C ATOM 1312 CG LYS A 85 -0.036 -5.109 -9.422 1.00 0.21 C ATOM 1313 CD LYS A 85 1.455 -4.750 -9.479 1.00 0.22 C ATOM 1314 CE LYS A 85 1.995 -5.035 -10.883 1.00 0.32 C ATOM 1315 NZ LYS A 85 3.346 -4.429 -11.052 1.00 0.96 N ATOM 0 H LYS A 85 -0.737 -9.014 -9.118 1.00 0.22 H new ATOM 0 HA LYS A 85 -1.840 -6.523 -8.149 1.00 0.20 H new ATOM 0 HB2 LYS A 85 0.571 -7.143 -8.981 1.00 0.22 H new ATOM 0 HB3 LYS A 85 -0.068 -6.930 -10.598 1.00 0.22 H new ATOM 0 HG2 LYS A 85 -0.574 -4.601 -10.222 1.00 0.21 H new ATOM 0 HG3 LYS A 85 -0.468 -4.768 -8.481 1.00 0.21 H new ATOM 0 HD2 LYS A 85 1.597 -3.698 -9.230 1.00 0.22 H new ATOM 0 HD3 LYS A 85 2.008 -5.330 -8.740 1.00 0.22 H new ATOM 0 HE2 LYS A 85 2.049 -6.111 -11.047 1.00 0.32 H new ATOM 0 HE3 LYS A 85 1.312 -4.632 -11.631 1.00 0.32 H new ATOM 0 HZ1 LYS A 85 3.728 -4.687 -11.984 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 3.273 -3.394 -10.982 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 3.981 -4.782 -10.308 1.00 0.96 H new ATOM 1329 N VAL A 86 -3.475 -5.761 -9.813 1.00 0.06 N ATOM 1330 CA VAL A 86 -4.545 -5.358 -10.778 1.00 0.09 C ATOM 1331 C VAL A 86 -4.464 -3.856 -11.063 1.00 0.14 C ATOM 1332 O VAL A 86 -4.991 -3.381 -12.048 1.00 0.25 O ATOM 1333 CB VAL A 86 -5.908 -5.687 -10.169 1.00 0.09 C ATOM 1334 CG1 VAL A 86 -6.161 -7.192 -10.286 1.00 0.12 C ATOM 1335 CG2 VAL A 86 -5.908 -5.292 -8.691 1.00 0.10 C ATOM 0 H VAL A 86 -3.462 -5.240 -8.936 1.00 0.06 H new ATOM 0 HA VAL A 86 -4.410 -5.900 -11.714 1.00 0.09 H new ATOM 0 HB VAL A 86 -6.689 -5.139 -10.697 1.00 0.09 H new ATOM 0 HG11 VAL A 86 -7.132 -7.432 -9.853 1.00 0.12 H new ATOM 0 HG12 VAL A 86 -6.150 -7.482 -11.337 1.00 0.12 H new ATOM 0 HG13 VAL A 86 -5.381 -7.735 -9.752 1.00 0.12 H new ATOM 0 HG21 VAL A 86 -6.878 -5.525 -8.252 1.00 0.10 H new ATOM 0 HG22 VAL A 86 -5.130 -5.846 -8.166 1.00 0.10 H new ATOM 0 HG23 VAL A 86 -5.716 -4.223 -8.600 1.00 0.10 H new ATOM 1345 N GLY A 87 -3.805 -3.138 -10.194 1.00 0.09 N ATOM 1346 CA GLY A 87 -3.687 -1.668 -10.404 1.00 0.14 C ATOM 1347 C GLY A 87 -2.389 -1.141 -9.796 1.00 0.08 C ATOM 1348 O GLY A 87 -1.872 -1.697 -8.848 1.00 0.06 O ATOM 0 H GLY A 87 -3.348 -3.501 -9.357 1.00 0.09 H new ATOM 0 HA2 GLY A 87 -3.713 -1.444 -11.470 1.00 0.14 H new ATOM 0 HA3 GLY A 87 -4.539 -1.161 -9.951 1.00 0.14 H new ATOM 1352 N GLU A 88 -1.883 -0.077 -10.358 1.00 0.09 N ATOM 1353 CA GLU A 88 -0.623 0.499 -9.814 1.00 0.05 C ATOM 1354 C GLU A 88 -0.401 1.915 -10.354 1.00 0.12 C ATOM 1355 O GLU A 88 -0.356 2.130 -11.549 1.00 0.19 O ATOM 1356 CB GLU A 88 0.547 -0.391 -10.226 1.00 0.12 C ATOM 1357 CG GLU A 88 1.852 0.395 -10.081 1.00 1.21 C ATOM 1358 CD GLU A 88 3.024 -0.582 -9.981 1.00 1.56 C ATOM 1359 OE1 GLU A 88 3.093 -1.436 -10.850 1.00 0.80 O ATOM 1360 OE2 GLU A 88 3.785 -0.420 -9.040 1.00 2.87 O ATOM 0 H GLU A 88 -2.282 0.412 -11.159 1.00 0.09 H new ATOM 0 HA GLU A 88 -0.694 0.549 -8.727 1.00 0.05 H new ATOM 0 HB2 GLU A 88 0.576 -1.285 -9.604 1.00 0.12 H new ATOM 0 HB3 GLU A 88 0.421 -0.724 -11.256 1.00 0.12 H new ATOM 0 HG2 GLU A 88 1.988 1.057 -10.936 1.00 1.21 H new ATOM 0 HG3 GLU A 88 1.813 1.026 -9.193 1.00 1.21 H new ATOM 1367 N PHE A 89 -0.269 2.846 -9.452 1.00 0.10 N ATOM 1368 CA PHE A 89 -0.036 4.250 -9.869 1.00 0.16 C ATOM 1369 C PHE A 89 0.838 4.958 -8.830 1.00 0.08 C ATOM 1370 O PHE A 89 0.580 4.878 -7.643 1.00 0.08 O ATOM 1371 CB PHE A 89 -1.388 4.943 -9.997 1.00 0.27 C ATOM 1372 CG PHE A 89 -1.794 5.591 -8.667 1.00 0.28 C ATOM 1373 CD1 PHE A 89 -1.263 6.812 -8.282 1.00 0.26 C ATOM 1374 CD2 PHE A 89 -2.703 4.962 -7.833 1.00 0.33 C ATOM 1375 CE1 PHE A 89 -1.638 7.391 -7.085 1.00 0.32 C ATOM 1376 CE2 PHE A 89 -3.077 5.544 -6.638 1.00 0.39 C ATOM 1377 CZ PHE A 89 -2.544 6.757 -6.265 1.00 0.39 C ATOM 0 H PHE A 89 -0.313 2.693 -8.445 1.00 0.10 H new ATOM 0 HA PHE A 89 0.482 4.283 -10.828 1.00 0.16 H new ATOM 0 HB2 PHE A 89 -1.340 5.702 -10.778 1.00 0.27 H new ATOM 0 HB3 PHE A 89 -2.145 4.220 -10.301 1.00 0.27 H new ATOM 0 HD1 PHE A 89 -0.552 7.314 -8.922 1.00 0.26 H new ATOM 0 HD2 PHE A 89 -3.123 4.009 -8.119 1.00 0.33 H new ATOM 0 HE1 PHE A 89 -1.220 8.343 -6.792 1.00 0.32 H new ATOM 0 HE2 PHE A 89 -3.789 5.047 -5.995 1.00 0.39 H new ATOM 0 HZ PHE A 89 -2.836 7.211 -5.330 1.00 0.39 H new ATOM 1387 N SER A 90 1.856 5.634 -9.301 1.00 0.05 N ATOM 1388 CA SER A 90 2.773 6.345 -8.357 1.00 0.05 C ATOM 1389 C SER A 90 2.594 7.859 -8.466 1.00 0.10 C ATOM 1390 O SER A 90 1.986 8.351 -9.395 1.00 0.13 O ATOM 1391 CB SER A 90 4.215 5.980 -8.697 1.00 0.12 C ATOM 1392 OG SER A 90 4.447 6.608 -9.949 1.00 0.17 O ATOM 0 H SER A 90 2.091 5.724 -10.289 1.00 0.05 H new ATOM 0 HA SER A 90 2.536 6.041 -7.337 1.00 0.05 H new ATOM 0 HB2 SER A 90 4.907 6.341 -7.936 1.00 0.12 H new ATOM 0 HB3 SER A 90 4.348 4.900 -8.762 1.00 0.12 H new ATOM 0 HG SER A 90 5.410 6.739 -10.076 1.00 0.17 H new ATOM 1398 N GLY A 91 3.137 8.559 -7.502 1.00 0.11 N ATOM 1399 CA GLY A 91 3.021 10.048 -7.506 1.00 0.17 C ATOM 1400 C GLY A 91 2.520 10.540 -6.148 1.00 0.29 C ATOM 1401 O GLY A 91 1.798 9.844 -5.462 1.00 0.46 O ATOM 0 H GLY A 91 3.654 8.165 -6.716 1.00 0.11 H new ATOM 0 HA2 GLY A 91 3.990 10.495 -7.729 1.00 0.17 H new ATOM 0 HA3 GLY A 91 2.335 10.365 -8.292 1.00 0.17 H new ATOM 1405 N ALA A 92 2.916 11.728 -5.784 1.00 0.33 N ATOM 1406 CA ALA A 92 2.467 12.279 -4.473 1.00 0.44 C ATOM 1407 C ALA A 92 0.988 12.682 -4.539 1.00 0.34 C ATOM 1408 O ALA A 92 0.577 13.646 -3.921 1.00 0.51 O ATOM 1409 CB ALA A 92 3.314 13.504 -4.131 1.00 0.55 C ATOM 0 H ALA A 92 3.525 12.337 -6.331 1.00 0.33 H new ATOM 0 HA ALA A 92 2.586 11.515 -3.705 1.00 0.44 H new ATOM 0 HB1 ALA A 92 2.992 13.913 -3.173 1.00 0.55 H new ATOM 0 HB2 ALA A 92 4.363 13.215 -4.068 1.00 0.55 H new ATOM 0 HB3 ALA A 92 3.192 14.259 -4.908 1.00 0.55 H new ATOM 1415 N ASN A 93 0.221 11.936 -5.287 1.00 0.56 N ATOM 1416 CA ASN A 93 -1.233 12.257 -5.401 1.00 0.45 C ATOM 1417 C ASN A 93 -2.037 11.386 -4.433 1.00 0.53 C ATOM 1418 O ASN A 93 -2.143 10.190 -4.615 1.00 0.58 O ATOM 1419 CB ASN A 93 -1.692 11.983 -6.831 1.00 0.38 C ATOM 1420 CG ASN A 93 -2.759 13.005 -7.226 1.00 0.38 C ATOM 1421 OD1 ASN A 93 -2.808 13.466 -8.349 1.00 0.45 O ATOM 1422 ND2 ASN A 93 -3.633 13.386 -6.333 1.00 0.33 N ATOM 0 H ASN A 93 0.533 11.125 -5.820 1.00 0.56 H new ATOM 0 HA ASN A 93 -1.394 13.306 -5.153 1.00 0.45 H new ATOM 0 HB2 ASN A 93 -0.845 12.042 -7.514 1.00 0.38 H new ATOM 0 HB3 ASN A 93 -2.094 10.973 -6.909 1.00 0.38 H new ATOM 0 HD21 ASN A 93 -4.351 14.067 -6.580 1.00 0.33 H new ATOM 0 HD22 ASN A 93 -3.597 13.003 -5.388 1.00 0.33 H new ATOM 1429 N LYS A 94 -2.589 12.004 -3.423 1.00 0.68 N ATOM 1430 CA LYS A 94 -3.385 11.220 -2.436 1.00 0.83 C ATOM 1431 C LYS A 94 -4.873 11.276 -2.795 1.00 0.79 C ATOM 1432 O LYS A 94 -5.591 10.309 -2.624 1.00 0.79 O ATOM 1433 CB LYS A 94 -3.172 11.797 -1.033 1.00 1.07 C ATOM 1434 CG LYS A 94 -3.246 13.326 -1.085 1.00 0.40 C ATOM 1435 CD LYS A 94 -1.840 13.905 -0.918 1.00 1.13 C ATOM 1436 CE LYS A 94 -1.919 15.431 -0.959 1.00 0.97 C ATOM 1437 NZ LYS A 94 -2.182 15.903 -2.347 1.00 1.84 N ATOM 0 H LYS A 94 -2.524 13.005 -3.240 1.00 0.68 H new ATOM 0 HA LYS A 94 -3.055 10.181 -2.457 1.00 0.83 H new ATOM 0 HB2 LYS A 94 -3.930 11.410 -0.352 1.00 1.07 H new ATOM 0 HB3 LYS A 94 -2.203 11.484 -0.644 1.00 1.07 H new ATOM 0 HG2 LYS A 94 -3.675 13.649 -2.034 1.00 0.40 H new ATOM 0 HG3 LYS A 94 -3.901 13.697 -0.297 1.00 0.40 H new ATOM 0 HD2 LYS A 94 -1.408 13.576 0.027 1.00 1.13 H new ATOM 0 HD3 LYS A 94 -1.187 13.541 -1.711 1.00 1.13 H new ATOM 0 HE2 LYS A 94 -2.710 15.778 -0.295 1.00 0.97 H new ATOM 0 HE3 LYS A 94 -0.986 15.859 -0.594 1.00 0.97 H new ATOM 0 HZ1 LYS A 94 -2.032 16.931 -2.398 1.00 1.84 H new ATOM 0 HZ2 LYS A 94 -1.534 15.425 -3.005 1.00 1.84 H new ATOM 0 HZ3 LYS A 94 -3.164 15.683 -2.608 1.00 1.84 H new ATOM 1451 N GLU A 95 -5.305 12.405 -3.284 1.00 0.79 N ATOM 1452 CA GLU A 95 -6.735 12.535 -3.662 1.00 0.79 C ATOM 1453 C GLU A 95 -7.072 11.528 -4.763 1.00 0.65 C ATOM 1454 O GLU A 95 -8.224 11.305 -5.075 1.00 0.64 O ATOM 1455 CB GLU A 95 -6.993 13.954 -4.164 1.00 0.82 C ATOM 1456 CG GLU A 95 -6.608 14.950 -3.067 1.00 1.90 C ATOM 1457 CD GLU A 95 -7.827 15.799 -2.703 1.00 1.92 C ATOM 1458 OE1 GLU A 95 -8.144 16.661 -3.505 1.00 1.38 O ATOM 1459 OE2 GLU A 95 -8.372 15.540 -1.642 1.00 2.93 O ATOM 0 H GLU A 95 -4.733 13.236 -3.436 1.00 0.79 H new ATOM 0 HA GLU A 95 -7.363 12.334 -2.794 1.00 0.79 H new ATOM 0 HB2 GLU A 95 -6.412 14.145 -5.066 1.00 0.82 H new ATOM 0 HB3 GLU A 95 -8.043 14.074 -4.429 1.00 0.82 H new ATOM 0 HG2 GLU A 95 -6.246 14.418 -2.188 1.00 1.90 H new ATOM 0 HG3 GLU A 95 -5.795 15.589 -3.410 1.00 1.90 H new ATOM 1466 N LYS A 96 -6.052 10.942 -5.327 1.00 0.55 N ATOM 1467 CA LYS A 96 -6.285 9.942 -6.406 1.00 0.40 C ATOM 1468 C LYS A 96 -6.625 8.584 -5.775 1.00 0.37 C ATOM 1469 O LYS A 96 -7.378 7.810 -6.331 1.00 0.41 O ATOM 1470 CB LYS A 96 -5.011 9.828 -7.259 1.00 0.33 C ATOM 1471 CG LYS A 96 -5.269 8.916 -8.475 1.00 0.18 C ATOM 1472 CD LYS A 96 -5.934 9.723 -9.602 1.00 0.95 C ATOM 1473 CE LYS A 96 -4.882 10.067 -10.659 1.00 0.43 C ATOM 1474 NZ LYS A 96 -5.486 10.878 -11.753 1.00 1.62 N ATOM 0 H LYS A 96 -5.074 11.111 -5.090 1.00 0.55 H new ATOM 0 HA LYS A 96 -7.116 10.255 -7.038 1.00 0.40 H new ATOM 0 HB2 LYS A 96 -4.699 10.817 -7.596 1.00 0.33 H new ATOM 0 HB3 LYS A 96 -4.196 9.424 -6.658 1.00 0.33 H new ATOM 0 HG2 LYS A 96 -4.330 8.490 -8.827 1.00 0.18 H new ATOM 0 HG3 LYS A 96 -5.909 8.082 -8.186 1.00 0.18 H new ATOM 0 HD2 LYS A 96 -6.743 9.147 -10.050 1.00 0.95 H new ATOM 0 HD3 LYS A 96 -6.376 10.635 -9.201 1.00 0.95 H new ATOM 0 HE2 LYS A 96 -4.063 10.619 -10.199 1.00 0.43 H new ATOM 0 HE3 LYS A 96 -4.458 9.151 -11.070 1.00 0.43 H new ATOM 0 HZ1 LYS A 96 -4.758 11.102 -12.461 1.00 1.62 H new ATOM 0 HZ2 LYS A 96 -6.252 10.338 -12.203 1.00 1.62 H new ATOM 0 HZ3 LYS A 96 -5.870 11.761 -11.359 1.00 1.62 H new ATOM 1488 N LEU A 97 -6.063 8.330 -4.624 1.00 0.32 N ATOM 1489 CA LEU A 97 -6.344 7.032 -3.937 1.00 0.29 C ATOM 1490 C LEU A 97 -7.853 6.773 -3.885 1.00 0.23 C ATOM 1491 O LEU A 97 -8.332 5.783 -4.394 1.00 0.19 O ATOM 1492 CB LEU A 97 -5.807 7.095 -2.505 1.00 0.29 C ATOM 1493 CG LEU A 97 -4.274 7.157 -2.528 1.00 0.38 C ATOM 1494 CD1 LEU A 97 -3.781 7.741 -1.199 1.00 0.41 C ATOM 1495 CD2 LEU A 97 -3.692 5.744 -2.704 1.00 0.48 C ATOM 0 H LEU A 97 -5.427 8.957 -4.132 1.00 0.32 H new ATOM 0 HA LEU A 97 -5.859 6.228 -4.491 1.00 0.29 H new ATOM 0 HB2 LEU A 97 -6.208 7.971 -1.994 1.00 0.29 H new ATOM 0 HB3 LEU A 97 -6.137 6.220 -1.944 1.00 0.29 H new ATOM 0 HG LEU A 97 -3.950 7.783 -3.359 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -2.692 7.790 -1.205 1.00 0.41 H new ATOM 0 HD12 LEU A 97 -4.188 8.744 -1.069 1.00 0.41 H new ATOM 0 HD13 LEU A 97 -4.112 7.106 -0.377 1.00 0.41 H new ATOM 0 HD21 LEU A 97 -2.603 5.798 -2.719 1.00 0.48 H new ATOM 0 HD22 LEU A 97 -4.012 5.113 -1.875 1.00 0.48 H new ATOM 0 HD23 LEU A 97 -4.047 5.319 -3.643 1.00 0.48 H new ATOM 1507 N GLU A 98 -8.567 7.674 -3.266 1.00 0.27 N ATOM 1508 CA GLU A 98 -10.047 7.497 -3.153 1.00 0.22 C ATOM 1509 C GLU A 98 -10.642 7.016 -4.477 1.00 0.23 C ATOM 1510 O GLU A 98 -11.021 5.872 -4.614 1.00 0.24 O ATOM 1511 CB GLU A 98 -10.683 8.834 -2.759 1.00 0.24 C ATOM 1512 CG GLU A 98 -12.102 8.581 -2.241 1.00 0.50 C ATOM 1513 CD GLU A 98 -12.708 9.902 -1.761 1.00 0.71 C ATOM 1514 OE1 GLU A 98 -12.428 10.243 -0.624 1.00 1.68 O ATOM 1515 OE2 GLU A 98 -13.416 10.493 -2.559 1.00 1.04 O ATOM 0 H GLU A 98 -8.194 8.520 -2.836 1.00 0.27 H new ATOM 0 HA GLU A 98 -10.254 6.745 -2.392 1.00 0.22 H new ATOM 0 HB2 GLU A 98 -10.084 9.323 -1.991 1.00 0.24 H new ATOM 0 HB3 GLU A 98 -10.710 9.505 -3.618 1.00 0.24 H new ATOM 0 HG2 GLU A 98 -12.718 8.150 -3.030 1.00 0.50 H new ATOM 0 HG3 GLU A 98 -12.080 7.860 -1.424 1.00 0.50 H new ATOM 1522 N ALA A 99 -10.709 7.900 -5.418 1.00 0.26 N ATOM 1523 CA ALA A 99 -11.285 7.524 -6.743 1.00 0.29 C ATOM 1524 C ALA A 99 -10.721 6.178 -7.214 1.00 0.24 C ATOM 1525 O ALA A 99 -11.454 5.325 -7.675 1.00 0.23 O ATOM 1526 CB ALA A 99 -10.940 8.607 -7.763 1.00 0.40 C ATOM 0 H ALA A 99 -10.393 8.866 -5.337 1.00 0.26 H new ATOM 0 HA ALA A 99 -12.367 7.432 -6.646 1.00 0.29 H new ATOM 0 HB1 ALA A 99 -11.358 8.339 -8.734 1.00 0.40 H new ATOM 0 HB2 ALA A 99 -11.359 9.559 -7.438 1.00 0.40 H new ATOM 0 HB3 ALA A 99 -9.857 8.697 -7.846 1.00 0.40 H new ATOM 1532 N THR A 100 -9.433 6.015 -7.089 1.00 0.22 N ATOM 1533 CA THR A 100 -8.816 4.730 -7.530 1.00 0.17 C ATOM 1534 C THR A 100 -9.467 3.552 -6.801 1.00 0.15 C ATOM 1535 O THR A 100 -9.772 2.542 -7.403 1.00 0.14 O ATOM 1536 CB THR A 100 -7.319 4.763 -7.228 1.00 0.17 C ATOM 1537 OG1 THR A 100 -6.872 6.001 -7.763 1.00 0.20 O ATOM 1538 CG2 THR A 100 -6.564 3.693 -8.011 1.00 0.18 C ATOM 0 H THR A 100 -8.787 6.705 -6.706 1.00 0.22 H new ATOM 0 HA THR A 100 -8.972 4.605 -8.601 1.00 0.17 H new ATOM 0 HB THR A 100 -7.152 4.617 -6.161 1.00 0.17 H new ATOM 0 HG1 THR A 100 -6.894 6.687 -7.063 1.00 0.20 H new ATOM 0 HG21 THR A 100 -5.502 3.747 -7.770 1.00 0.18 H new ATOM 0 HG22 THR A 100 -6.947 2.708 -7.743 1.00 0.18 H new ATOM 0 HG23 THR A 100 -6.703 3.858 -9.079 1.00 0.18 H new ATOM 1546 N ILE A 101 -9.664 3.698 -5.516 1.00 0.15 N ATOM 1547 CA ILE A 101 -10.313 2.593 -4.756 1.00 0.14 C ATOM 1548 C ILE A 101 -11.692 2.342 -5.340 1.00 0.16 C ATOM 1549 O ILE A 101 -12.154 1.221 -5.408 1.00 0.22 O ATOM 1550 CB ILE A 101 -10.433 2.985 -3.280 1.00 0.14 C ATOM 1551 CG1 ILE A 101 -9.098 2.717 -2.578 1.00 0.13 C ATOM 1552 CG2 ILE A 101 -11.530 2.146 -2.619 1.00 0.13 C ATOM 1553 CD1 ILE A 101 -8.859 3.801 -1.525 1.00 0.69 C ATOM 0 H ILE A 101 -9.408 4.520 -4.969 1.00 0.15 H new ATOM 0 HA ILE A 101 -9.713 1.686 -4.831 1.00 0.14 H new ATOM 0 HB ILE A 101 -10.685 4.042 -3.201 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -9.111 1.733 -2.109 1.00 0.13 H new ATOM 0 HG13 ILE A 101 -8.285 2.713 -3.304 1.00 0.13 H new ATOM 0 HG21 ILE A 101 -11.617 2.423 -1.568 1.00 0.13 H new ATOM 0 HG22 ILE A 101 -12.480 2.327 -3.122 1.00 0.13 H new ATOM 0 HG23 ILE A 101 -11.275 1.089 -2.695 1.00 0.13 H new ATOM 0 HD11 ILE A 101 -7.910 3.616 -1.021 1.00 0.69 H new ATOM 0 HD12 ILE A 101 -8.829 4.778 -2.008 1.00 0.69 H new ATOM 0 HD13 ILE A 101 -9.667 3.783 -0.794 1.00 0.69 H new ATOM 1565 N ASN A 102 -12.319 3.400 -5.752 1.00 0.16 N ATOM 1566 CA ASN A 102 -13.664 3.264 -6.365 1.00 0.20 C ATOM 1567 C ASN A 102 -13.530 2.481 -7.667 1.00 0.15 C ATOM 1568 O ASN A 102 -14.504 2.019 -8.229 1.00 0.16 O ATOM 1569 CB ASN A 102 -14.221 4.656 -6.660 1.00 0.26 C ATOM 1570 CG ASN A 102 -15.711 4.695 -6.322 1.00 0.45 C ATOM 1571 OD1 ASN A 102 -16.394 3.691 -6.351 1.00 0.39 O ATOM 1572 ND2 ASN A 102 -16.253 5.837 -5.998 1.00 1.00 N ATOM 0 H ASN A 102 -11.960 4.353 -5.692 1.00 0.16 H new ATOM 0 HA ASN A 102 -14.338 2.740 -5.687 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -13.686 5.404 -6.075 1.00 0.26 H new ATOM 0 HB3 ASN A 102 -14.070 4.904 -7.711 1.00 0.26 H new ATOM 0 HD21 ASN A 102 -17.246 5.884 -5.770 1.00 1.00 H new ATOM 0 HD22 ASN A 102 -15.683 6.683 -5.972 1.00 1.00 H new ATOM 1579 N GLU A 103 -12.311 2.352 -8.118 1.00 0.13 N ATOM 1580 CA GLU A 103 -12.065 1.605 -9.381 1.00 0.14 C ATOM 1581 C GLU A 103 -12.204 0.095 -9.150 1.00 0.13 C ATOM 1582 O GLU A 103 -12.893 -0.581 -9.886 1.00 0.15 O ATOM 1583 CB GLU A 103 -10.652 1.918 -9.871 1.00 0.20 C ATOM 1584 CG GLU A 103 -10.587 1.702 -11.384 1.00 0.30 C ATOM 1585 CD GLU A 103 -9.156 1.344 -11.784 1.00 1.79 C ATOM 1586 OE1 GLU A 103 -8.285 2.125 -11.438 1.00 2.33 O ATOM 1587 OE2 GLU A 103 -9.011 0.308 -12.412 1.00 2.81 O ATOM 0 H GLU A 103 -11.479 2.731 -7.667 1.00 0.13 H new ATOM 0 HA GLU A 103 -12.800 1.910 -10.126 1.00 0.14 H new ATOM 0 HB2 GLU A 103 -10.389 2.947 -9.627 1.00 0.20 H new ATOM 0 HB3 GLU A 103 -9.929 1.276 -9.368 1.00 0.20 H new ATOM 0 HG2 GLU A 103 -11.269 0.904 -11.678 1.00 0.30 H new ATOM 0 HG3 GLU A 103 -10.907 2.604 -11.905 1.00 0.30 H new ATOM 1594 N LEU A 104 -11.546 -0.402 -8.128 1.00 0.15 N ATOM 1595 CA LEU A 104 -11.622 -1.874 -7.850 1.00 0.21 C ATOM 1596 C LEU A 104 -12.566 -2.166 -6.674 1.00 0.26 C ATOM 1597 O LEU A 104 -12.687 -3.298 -6.247 1.00 0.39 O ATOM 1598 CB LEU A 104 -10.223 -2.396 -7.514 1.00 0.21 C ATOM 1599 CG LEU A 104 -9.213 -1.841 -8.522 1.00 0.19 C ATOM 1600 CD1 LEU A 104 -7.856 -2.503 -8.285 1.00 0.23 C ATOM 1601 CD2 LEU A 104 -9.685 -2.164 -9.942 1.00 0.26 C ATOM 0 H LEU A 104 -10.968 0.137 -7.483 1.00 0.15 H new ATOM 0 HA LEU A 104 -12.011 -2.374 -8.737 1.00 0.21 H new ATOM 0 HB2 LEU A 104 -9.945 -2.097 -6.503 1.00 0.21 H new ATOM 0 HB3 LEU A 104 -10.215 -3.486 -7.538 1.00 0.21 H new ATOM 0 HG LEU A 104 -9.127 -0.761 -8.400 1.00 0.19 H new ATOM 0 HD11 LEU A 104 -7.131 -2.113 -8.999 1.00 0.23 H new ATOM 0 HD12 LEU A 104 -7.518 -2.288 -7.271 1.00 0.23 H new ATOM 0 HD13 LEU A 104 -7.949 -3.581 -8.415 1.00 0.23 H new ATOM 0 HD21 LEU A 104 -8.968 -1.770 -10.662 1.00 0.26 H new ATOM 0 HD22 LEU A 104 -9.764 -3.244 -10.062 1.00 0.26 H new ATOM 0 HD23 LEU A 104 -10.660 -1.708 -10.114 1.00 0.26 H new ATOM 1613 N VAL A 105 -13.216 -1.149 -6.173 1.00 0.22 N ATOM 1614 CA VAL A 105 -14.151 -1.378 -5.027 1.00 0.31 C ATOM 1615 C VAL A 105 -15.118 -2.521 -5.357 1.00 0.31 C ATOM 1616 O VAL A 105 -15.406 -3.270 -4.438 1.00 1.41 O ATOM 1617 CB VAL A 105 -14.946 -0.100 -4.758 1.00 0.32 C ATOM 1618 CG1 VAL A 105 -15.778 0.244 -5.995 1.00 0.37 C ATOM 1619 CG2 VAL A 105 -15.883 -0.327 -3.567 1.00 0.50 C ATOM 1620 OXT VAL A 105 -15.514 -2.579 -6.510 1.00 1.03 O ATOM 0 H VAL A 105 -13.144 -0.185 -6.499 1.00 0.22 H new ATOM 0 HA VAL A 105 -13.573 -1.645 -4.142 1.00 0.31 H new ATOM 0 HB VAL A 105 -14.261 0.718 -4.535 1.00 0.32 H new ATOM 0 HG11 VAL A 105 -16.347 1.155 -5.809 1.00 0.37 H new ATOM 0 HG12 VAL A 105 -15.116 0.397 -6.847 1.00 0.37 H new ATOM 0 HG13 VAL A 105 -16.464 -0.575 -6.211 1.00 0.37 H new ATOM 0 HG21 VAL A 105 -16.451 0.583 -3.373 1.00 0.50 H new ATOM 0 HG22 VAL A 105 -16.570 -1.142 -3.795 1.00 0.50 H new ATOM 0 HG23 VAL A 105 -15.295 -0.583 -2.685 1.00 0.50 H new TER 1630 VAL A 105