USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 807 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 82 THR OG1 : rot 180:sc= 1.07 USER MOD Set 1.2: A 108 LYS NZ :NH3+ -156:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 72 HIS : no HE2:sc= -7.89! C(o=-14!,f=-17!) USER MOD Set 2.2: A 74 HIS : no HD1:sc= -6.11! C(o=-14!,f=-17!) USER MOD Set 3.1: A 55 ASN : amide:sc= -0.903 K(o=-1,f=-4.6!) USER MOD Set 3.2: A 57 TYR OH : rot 30:sc= -0.0966 USER MOD Set 4.1: A 28 SER OG : rot 59:sc= 1.24 USER MOD Set 4.2: A 31 THR OG1 : rot -90:sc= 0.12 USER MOD Set 4.3: A 89 TYR OH : rot 179:sc= -0.159 USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 9 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-8.8!) USER MOD Single : A 3 HIS : no HE2:sc= -7.98! C(o=-8!,f=-8.1!) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= -1.35 (180deg=-2.99!) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00869) USER MOD Single : A 10 ASN : amide:sc= -3.97! C(o=-4!,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.15) USER MOD Single : A 29 ASN : amide:sc= -2.25 K(o=-2.3,f=-1.5) USER MOD Single : A 32 THR OG1 : rot -47:sc= 0.353 USER MOD Single : A 37 TYR OH : rot 52:sc= 0.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -9:sc= -0.616! USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= -0.153 (180deg=-0.153) USER MOD Single : A 52 THR OG1 : rot 84:sc= 0.454 USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0.276 (180deg=-1.34!) USER MOD Single : A 62 SER OG : rot -26:sc= 0.914 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.06) USER MOD Single : A 70 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc=-0.00824 (180deg=-0.111) USER MOD Single : A 83 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-11!) USER MOD Single : A 86 ASN : amide:sc= -5.01! K(o=-5!,f=-0.71) USER MOD Single : A 88 THR OG1 : rot 93:sc= 0.754 USER MOD Single : A 90 MET CE :methyl -165:sc= -1.31 (180deg=-1.98!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 100 SER OG : rot 90:sc= 1.01 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.91! C(o=-2.9!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -5.911 -10.144 5.278 1.00 0.59 N ATOM 2 CA HIS A 3 -4.956 -9.250 5.906 1.00 0.46 C ATOM 3 C HIS A 3 -5.088 -7.868 5.287 1.00 0.43 C ATOM 4 O HIS A 3 -5.315 -7.743 4.085 1.00 0.47 O ATOM 5 CB HIS A 3 -3.523 -9.775 5.728 1.00 0.45 C ATOM 6 CG HIS A 3 -2.465 -8.739 5.948 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.329 -8.036 7.123 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.510 -8.263 5.114 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.345 -7.169 7.006 1.00 0.52 C ATOM 10 NE2 HIS A 3 -0.830 -7.284 5.794 1.00 0.51 N ATOM 0 HA HIS A 3 -5.166 -9.196 6.974 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.360 -10.600 6.422 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.417 -10.180 4.721 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -2.902 -8.166 7.956 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.319 -8.592 4.103 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -1.015 -6.481 7.770 1.00 0.52 H new ATOM 19 N LYS A 4 -4.935 -6.839 6.101 1.00 0.40 N ATOM 20 CA LYS A 4 -5.074 -5.478 5.626 1.00 0.39 C ATOM 21 C LYS A 4 -3.988 -4.583 6.210 1.00 0.35 C ATOM 22 O LYS A 4 -3.654 -4.690 7.390 1.00 0.43 O ATOM 23 CB LYS A 4 -6.462 -4.958 5.997 1.00 0.54 C ATOM 24 CG LYS A 4 -6.753 -4.999 7.496 1.00 0.90 C ATOM 25 CD LYS A 4 -8.144 -4.472 7.836 1.00 1.13 C ATOM 26 CE LYS A 4 -8.192 -2.949 7.904 1.00 1.92 C ATOM 27 NZ LYS A 4 -7.969 -2.310 6.579 1.00 2.36 N ATOM 0 H LYS A 4 -4.715 -6.922 7.093 1.00 0.40 H new ATOM 0 HA LYS A 4 -4.961 -5.464 4.542 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.562 -3.931 5.645 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.214 -5.549 5.474 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -6.659 -6.025 7.853 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.005 -4.408 8.024 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.854 -4.821 7.087 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.461 -4.885 8.793 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -9.160 -2.637 8.295 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.436 -2.596 8.605 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -8.481 -1.406 6.539 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -6.952 -2.138 6.443 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -8.317 -2.939 5.827 1.00 2.36 H new ATOM 41 N VAL A 5 -3.405 -3.732 5.380 1.00 0.31 N ATOM 42 CA VAL A 5 -2.453 -2.746 5.870 1.00 0.33 C ATOM 43 C VAL A 5 -3.013 -1.329 5.737 1.00 0.27 C ATOM 44 O VAL A 5 -3.916 -1.081 4.944 1.00 0.29 O ATOM 45 CB VAL A 5 -1.050 -2.895 5.204 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.324 -1.573 5.084 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.209 -3.858 6.018 1.00 0.49 C ATOM 0 H VAL A 5 -3.571 -3.703 4.374 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.302 -2.938 6.932 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.205 -3.276 4.195 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.647 -1.732 4.614 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.914 -0.888 4.475 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.181 -1.145 6.076 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.772 -3.965 5.556 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.093 -3.473 7.031 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.701 -4.830 6.054 1.00 0.49 H new ATOM 57 N THR A 6 -2.468 -0.430 6.546 1.00 0.41 N ATOM 58 CA THR A 6 -2.953 0.927 6.709 1.00 0.33 C ATOM 59 C THR A 6 -1.769 1.811 7.101 1.00 0.37 C ATOM 60 O THR A 6 -0.689 1.281 7.355 1.00 0.51 O ATOM 61 CB THR A 6 -4.055 0.982 7.778 1.00 0.36 C ATOM 62 OG1 THR A 6 -3.785 -0.009 8.779 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.431 0.740 7.166 1.00 0.36 C ATOM 0 H THR A 6 -1.652 -0.635 7.123 1.00 0.41 H new ATOM 0 HA THR A 6 -3.388 1.284 5.776 1.00 0.33 H new ATOM 0 HB THR A 6 -4.059 1.976 8.226 1.00 0.36 H new ATOM 0 HG1 THR A 6 -4.483 0.021 9.466 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.190 0.785 7.947 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.636 1.505 6.417 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.452 -0.243 6.696 1.00 0.36 H new ATOM 71 N LYS A 7 -1.947 3.131 7.118 1.00 0.30 N ATOM 72 CA LYS A 7 -0.832 4.072 7.308 1.00 0.28 C ATOM 73 C LYS A 7 0.081 3.712 8.491 1.00 0.27 C ATOM 74 O LYS A 7 1.287 3.902 8.403 1.00 0.32 O ATOM 75 CB LYS A 7 -1.355 5.496 7.482 1.00 0.27 C ATOM 76 CG LYS A 7 -0.264 6.559 7.501 1.00 0.28 C ATOM 77 CD LYS A 7 0.666 6.439 6.298 1.00 0.42 C ATOM 78 CE LYS A 7 1.529 7.686 6.123 1.00 0.35 C ATOM 79 NZ LYS A 7 2.409 7.944 7.295 1.00 0.83 N ATOM 0 H LYS A 7 -2.856 3.580 7.002 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.226 4.002 6.405 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.050 5.718 6.672 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -1.920 5.553 8.412 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.721 7.549 7.510 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.316 6.468 8.419 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.308 5.567 6.420 1.00 0.42 H new ATOM 0 HD3 LYS A 7 0.075 6.276 5.397 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.144 7.575 5.230 1.00 0.35 H new ATOM 0 HE3 LYS A 7 0.884 8.550 5.961 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 3.009 8.771 7.103 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.824 8.128 8.135 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 3.010 7.113 7.467 1.00 0.83 H new ATOM 93 N ALA A 8 -0.470 3.206 9.592 1.00 0.25 N ATOM 94 CA ALA A 8 0.356 2.815 10.743 1.00 0.26 C ATOM 95 C ALA A 8 1.355 1.731 10.348 1.00 0.23 C ATOM 96 O ALA A 8 2.518 1.722 10.780 1.00 0.24 O ATOM 97 CB ALA A 8 -0.513 2.324 11.881 1.00 0.33 C ATOM 0 H ALA A 8 -1.471 3.057 9.716 1.00 0.25 H new ATOM 0 HA ALA A 8 0.907 3.695 11.075 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.117 2.039 12.723 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -1.193 3.119 12.189 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -1.090 1.460 11.551 1.00 0.33 H new ATOM 103 N HIS A 9 0.903 0.839 9.483 1.00 0.23 N ATOM 104 CA HIS A 9 1.716 -0.271 9.011 1.00 0.23 C ATOM 105 C HIS A 9 2.904 0.220 8.194 1.00 0.23 C ATOM 106 O HIS A 9 3.736 -0.584 7.768 1.00 0.25 O ATOM 107 CB HIS A 9 0.886 -1.235 8.175 1.00 0.28 C ATOM 108 CG HIS A 9 -0.054 -2.099 8.957 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.421 -1.979 8.882 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.183 -3.169 9.749 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.980 -2.944 9.577 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.032 -3.680 10.122 1.00 2.12 N ATOM 0 H HIS A 9 -0.037 0.863 9.088 1.00 0.23 H new ATOM 0 HA HIS A 9 2.091 -0.794 9.891 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.310 -0.661 7.449 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.561 -1.877 7.610 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.152 -3.551 10.035 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -3.042 -3.107 9.684 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.178 -4.493 10.720 1.00 2.12 H new ATOM 121 N ASN A 10 2.969 1.543 7.978 1.00 0.22 N ATOM 122 CA ASN A 10 4.120 2.196 7.340 1.00 0.24 C ATOM 123 C ASN A 10 5.416 1.753 8.019 1.00 0.24 C ATOM 124 O ASN A 10 6.506 1.874 7.457 1.00 0.26 O ATOM 125 CB ASN A 10 3.976 3.728 7.431 1.00 0.31 C ATOM 126 CG ASN A 10 5.101 4.498 6.759 1.00 0.56 C ATOM 127 OD1 ASN A 10 6.144 4.754 7.357 1.00 1.41 O ATOM 128 ND2 ASN A 10 4.875 4.923 5.529 1.00 0.96 N ATOM 0 H ASN A 10 2.225 2.189 8.241 1.00 0.22 H new ATOM 0 HA ASN A 10 4.153 1.905 6.290 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.029 4.021 6.978 1.00 0.31 H new ATOM 0 HB3 ASN A 10 3.930 4.016 8.481 1.00 0.31 H new ATOM 0 HD21 ASN A 10 5.578 5.482 5.046 1.00 0.96 H new ATOM 0 HD22 ASN A 10 3.998 4.692 5.063 1.00 0.96 H new ATOM 135 N GLY A 11 5.273 1.227 9.232 1.00 0.25 N ATOM 136 CA GLY A 11 6.406 0.692 9.955 1.00 0.26 C ATOM 137 C GLY A 11 6.031 -0.564 10.713 1.00 0.25 C ATOM 138 O GLY A 11 6.196 -0.638 11.930 1.00 0.30 O ATOM 0 H GLY A 11 4.384 1.163 9.728 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.214 0.471 9.257 1.00 0.26 H new ATOM 0 HA3 GLY A 11 6.782 1.441 10.652 1.00 0.26 H new ATOM 142 N ALA A 12 5.499 -1.548 9.996 1.00 0.24 N ATOM 143 CA ALA A 12 5.014 -2.773 10.629 1.00 0.27 C ATOM 144 C ALA A 12 5.828 -4.007 10.245 1.00 0.28 C ATOM 145 O ALA A 12 6.475 -4.051 9.201 1.00 0.31 O ATOM 146 CB ALA A 12 3.563 -2.992 10.254 1.00 0.32 C ATOM 0 H ALA A 12 5.392 -1.524 8.982 1.00 0.24 H new ATOM 0 HA ALA A 12 5.122 -2.641 11.706 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.199 -3.905 10.725 1.00 0.32 H new ATOM 0 HB2 ALA A 12 2.967 -2.145 10.595 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.477 -3.083 9.171 1.00 0.32 H new ATOM 152 N THR A 13 5.777 -5.008 11.121 1.00 0.39 N ATOM 153 CA THR A 13 6.331 -6.331 10.861 1.00 0.44 C ATOM 154 C THR A 13 5.355 -7.375 11.413 1.00 0.56 C ATOM 155 O THR A 13 5.150 -7.462 12.624 1.00 0.95 O ATOM 156 CB THR A 13 7.714 -6.509 11.524 1.00 0.71 C ATOM 157 OG1 THR A 13 8.567 -5.404 11.188 1.00 0.89 O ATOM 158 CG2 THR A 13 8.367 -7.805 11.069 1.00 0.74 C ATOM 0 H THR A 13 5.345 -4.920 12.041 1.00 0.39 H new ATOM 0 HA THR A 13 6.466 -6.454 9.786 1.00 0.44 H new ATOM 0 HB THR A 13 7.571 -6.546 12.604 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.441 -5.524 11.614 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.340 -7.910 11.548 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.734 -8.648 11.345 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.496 -7.787 9.987 1.00 0.74 H new ATOM 166 N LEU A 14 4.733 -8.147 10.530 1.00 0.39 N ATOM 167 CA LEU A 14 3.609 -8.981 10.916 1.00 0.70 C ATOM 168 C LEU A 14 3.505 -10.233 10.041 1.00 0.35 C ATOM 169 O LEU A 14 4.105 -10.309 8.971 1.00 0.88 O ATOM 170 CB LEU A 14 2.333 -8.144 10.786 1.00 1.51 C ATOM 171 CG LEU A 14 1.085 -8.749 11.408 1.00 2.04 C ATOM 172 CD1 LEU A 14 1.321 -9.006 12.884 1.00 2.43 C ATOM 173 CD2 LEU A 14 -0.102 -7.821 11.200 1.00 3.00 C ATOM 0 H LEU A 14 4.990 -8.211 9.545 1.00 0.39 H new ATOM 0 HA LEU A 14 3.750 -9.319 11.943 1.00 0.70 H new ATOM 0 HB2 LEU A 14 2.510 -7.171 11.244 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.141 -7.968 9.727 1.00 1.51 H new ATOM 0 HG LEU A 14 0.863 -9.700 10.924 1.00 2.04 H new ATOM 0 HD11 LEU A 14 0.424 -9.440 13.326 1.00 2.43 H new ATOM 0 HD12 LEU A 14 2.155 -9.697 13.004 1.00 2.43 H new ATOM 0 HD13 LEU A 14 1.554 -8.066 13.384 1.00 2.43 H new ATOM 0 HD21 LEU A 14 -0.992 -8.262 11.649 1.00 3.00 H new ATOM 0 HD22 LEU A 14 0.102 -6.859 11.669 1.00 3.00 H new ATOM 0 HD23 LEU A 14 -0.268 -7.676 10.132 1.00 3.00 H new ATOM 185 N THR A 15 2.747 -11.213 10.515 1.00 0.70 N ATOM 186 CA THR A 15 2.423 -12.393 9.727 1.00 0.74 C ATOM 187 C THR A 15 0.981 -12.290 9.240 1.00 0.82 C ATOM 188 O THR A 15 0.138 -11.696 9.918 1.00 1.21 O ATOM 189 CB THR A 15 2.576 -13.685 10.552 1.00 1.40 C ATOM 190 OG1 THR A 15 3.928 -13.829 11.013 1.00 1.55 O ATOM 191 CG2 THR A 15 2.173 -14.900 9.726 1.00 1.73 C ATOM 0 H THR A 15 2.342 -11.212 11.451 1.00 0.70 H new ATOM 0 HA THR A 15 3.115 -12.437 8.886 1.00 0.74 H new ATOM 0 HB THR A 15 1.916 -13.617 11.417 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.009 -14.653 11.537 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.288 -15.802 10.326 1.00 1.73 H new ATOM 0 HG22 THR A 15 1.133 -14.801 9.416 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.809 -14.968 8.844 1.00 1.73 H new ATOM 199 N VAL A 16 0.690 -12.840 8.065 1.00 0.57 N ATOM 200 CA VAL A 16 -0.655 -12.731 7.523 1.00 0.64 C ATOM 201 C VAL A 16 -1.233 -14.080 7.131 1.00 0.59 C ATOM 202 O VAL A 16 -0.506 -15.050 6.904 1.00 0.59 O ATOM 203 CB VAL A 16 -0.688 -11.799 6.297 1.00 0.64 C ATOM 204 CG1 VAL A 16 0.139 -10.564 6.576 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.208 -12.494 5.040 1.00 0.63 C ATOM 0 H VAL A 16 1.352 -13.354 7.483 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.268 -12.312 8.321 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.724 -11.510 6.121 1.00 0.64 H new ATOM 0 HG11 VAL A 16 0.114 -9.906 5.707 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.270 -10.040 7.440 1.00 0.78 H new ATOM 0 HG13 VAL A 16 1.169 -10.855 6.782 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.249 -11.799 4.202 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.818 -12.833 5.181 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -0.848 -13.352 4.831 1.00 0.63 H new ATOM 215 N ALA A 17 -2.550 -14.128 7.095 1.00 0.63 N ATOM 216 CA ALA A 17 -3.267 -15.223 6.491 1.00 0.60 C ATOM 217 C ALA A 17 -3.807 -14.744 5.159 1.00 0.55 C ATOM 218 O ALA A 17 -4.194 -13.582 5.031 1.00 0.76 O ATOM 219 CB ALA A 17 -4.399 -15.674 7.398 1.00 0.75 C ATOM 0 H ALA A 17 -3.151 -13.403 7.487 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.605 -16.076 6.341 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.932 -16.501 6.930 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.991 -16.000 8.355 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -5.087 -14.845 7.561 1.00 0.75 H new ATOM 225 N VAL A 18 -3.799 -15.605 4.163 1.00 0.54 N ATOM 226 CA VAL A 18 -4.261 -15.224 2.841 1.00 0.50 C ATOM 227 C VAL A 18 -5.438 -16.090 2.411 1.00 0.49 C ATOM 228 O VAL A 18 -5.915 -16.930 3.175 1.00 0.59 O ATOM 229 CB VAL A 18 -3.136 -15.336 1.789 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.884 -14.589 2.237 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.821 -16.791 1.495 1.00 1.12 C ATOM 0 H VAL A 18 -3.479 -16.570 4.241 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.577 -14.183 2.902 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.489 -14.869 0.869 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.110 -14.686 1.476 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.121 -13.535 2.381 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.525 -15.011 3.176 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -2.026 -16.848 0.752 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -2.497 -17.285 2.411 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -3.713 -17.286 1.111 1.00 1.12 H new ATOM 241 N GLY A 19 -5.891 -15.883 1.187 1.00 0.52 N ATOM 242 CA GLY A 19 -6.993 -16.659 0.657 1.00 0.55 C ATOM 243 C GLY A 19 -8.054 -15.768 0.070 1.00 0.59 C ATOM 244 O GLY A 19 -8.370 -15.861 -1.115 1.00 0.71 O ATOM 0 H GLY A 19 -5.513 -15.186 0.545 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.625 -17.343 -0.108 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -7.425 -17.270 1.450 1.00 0.55 H new ATOM 248 N GLU A 20 -8.604 -14.896 0.901 1.00 0.57 N ATOM 249 CA GLU A 20 -9.509 -13.872 0.421 1.00 0.64 C ATOM 250 C GLU A 20 -8.710 -12.811 -0.307 1.00 0.50 C ATOM 251 O GLU A 20 -8.804 -12.655 -1.524 1.00 0.50 O ATOM 252 CB GLU A 20 -10.261 -13.202 1.572 1.00 0.76 C ATOM 253 CG GLU A 20 -11.029 -14.154 2.472 1.00 0.96 C ATOM 254 CD GLU A 20 -11.842 -13.407 3.507 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.978 -13.000 3.194 1.00 1.75 O ATOM 256 OE2 GLU A 20 -11.340 -13.196 4.631 1.00 2.35 O ATOM 0 H GLU A 20 -8.438 -14.879 1.907 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.234 -14.346 -0.241 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.546 -12.647 2.180 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -10.959 -12.475 1.157 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.690 -14.774 1.867 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -10.331 -14.826 2.972 1.00 0.96 H new ATOM 263 N LEU A 21 -7.915 -12.088 0.466 1.00 0.45 N ATOM 264 CA LEU A 21 -7.131 -10.986 -0.046 1.00 0.32 C ATOM 265 C LEU A 21 -6.102 -10.547 0.985 1.00 0.38 C ATOM 266 O LEU A 21 -6.385 -10.531 2.183 1.00 0.64 O ATOM 267 CB LEU A 21 -8.058 -9.817 -0.389 1.00 0.39 C ATOM 268 CG LEU A 21 -7.363 -8.501 -0.725 1.00 0.44 C ATOM 269 CD1 LEU A 21 -6.545 -8.637 -1.996 1.00 0.56 C ATOM 270 CD2 LEU A 21 -8.384 -7.388 -0.865 1.00 0.71 C ATOM 0 H LEU A 21 -7.798 -12.252 1.466 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.606 -11.309 -0.945 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -8.679 -10.106 -1.237 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -8.728 -9.648 0.454 1.00 0.39 H new ATOM 0 HG LEU A 21 -6.685 -8.250 0.091 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.057 -7.688 -2.218 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -5.789 -9.410 -1.861 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.200 -8.911 -2.823 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -7.874 -6.455 -1.105 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.084 -7.635 -1.663 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -8.928 -7.274 0.072 1.00 0.71 H new ATOM 282 N VAL A 22 -4.912 -10.202 0.531 1.00 0.27 N ATOM 283 CA VAL A 22 -3.941 -9.564 1.389 1.00 0.28 C ATOM 284 C VAL A 22 -3.715 -8.139 0.889 1.00 0.30 C ATOM 285 O VAL A 22 -3.081 -7.906 -0.142 1.00 0.37 O ATOM 286 CB VAL A 22 -2.627 -10.393 1.491 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.382 -9.514 1.539 1.00 0.40 C ATOM 288 CG2 VAL A 22 -2.688 -11.270 2.725 1.00 0.38 C ATOM 0 H VAL A 22 -4.598 -10.354 -0.427 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.322 -9.515 2.409 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.549 -11.004 0.592 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.495 -10.143 1.610 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.327 -8.911 0.633 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.433 -8.859 2.409 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -1.771 -11.853 2.802 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -2.796 -10.644 3.611 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.541 -11.944 2.651 1.00 0.38 H new ATOM 298 N GLU A 23 -4.287 -7.178 1.591 1.00 0.29 N ATOM 299 CA GLU A 23 -4.316 -5.827 1.078 1.00 0.36 C ATOM 300 C GLU A 23 -3.395 -4.898 1.839 1.00 0.27 C ATOM 301 O GLU A 23 -3.032 -5.137 2.994 1.00 0.37 O ATOM 302 CB GLU A 23 -5.734 -5.253 1.072 1.00 0.58 C ATOM 303 CG GLU A 23 -6.241 -4.781 2.426 1.00 0.96 C ATOM 304 CD GLU A 23 -7.502 -3.951 2.301 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.407 -2.775 1.886 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.598 -4.473 2.591 1.00 1.09 O ATOM 0 H GLU A 23 -4.729 -7.306 2.501 1.00 0.29 H new ATOM 0 HA GLU A 23 -3.957 -5.892 0.051 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.768 -4.415 0.376 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.416 -6.013 0.690 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.437 -5.645 3.061 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.467 -4.192 2.918 1.00 0.96 H new ATOM 313 N ILE A 24 -3.034 -3.836 1.152 1.00 0.25 N ATOM 314 CA ILE A 24 -2.181 -2.792 1.669 1.00 0.24 C ATOM 315 C ILE A 24 -2.796 -1.446 1.310 1.00 0.29 C ATOM 316 O ILE A 24 -2.709 -1.013 0.172 1.00 0.54 O ATOM 317 CB ILE A 24 -0.783 -2.870 1.024 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.179 -4.274 1.182 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.127 -1.813 1.617 1.00 0.32 C ATOM 320 CD1 ILE A 24 0.136 -4.640 2.614 1.00 0.27 C ATOM 0 H ILE A 24 -3.335 -3.672 0.191 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.087 -2.910 2.749 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.884 -2.676 -0.044 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.874 -5.007 0.773 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.735 -4.336 0.591 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.111 -1.878 1.153 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.295 -0.825 1.434 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.220 -1.974 2.691 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.559 -5.644 2.648 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.855 -3.929 3.021 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.778 -4.611 3.207 1.00 0.27 H new ATOM 332 N GLN A 25 -3.427 -0.782 2.251 1.00 0.21 N ATOM 333 CA GLN A 25 -4.116 0.453 1.931 1.00 0.22 C ATOM 334 C GLN A 25 -3.462 1.655 2.574 1.00 0.20 C ATOM 335 O GLN A 25 -3.040 1.611 3.728 1.00 0.23 O ATOM 336 CB GLN A 25 -5.589 0.365 2.329 1.00 0.27 C ATOM 337 CG GLN A 25 -6.289 1.710 2.373 1.00 0.29 C ATOM 338 CD GLN A 25 -6.637 2.170 3.777 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.718 1.875 4.281 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.733 2.896 4.415 1.00 0.30 N ATOM 0 H GLN A 25 -3.479 -1.067 3.229 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.049 0.589 0.852 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.109 -0.283 1.623 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.664 -0.106 3.309 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.650 2.458 1.903 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.203 1.654 1.781 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.847 3.120 3.962 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.922 3.232 5.359 1.00 0.30 H new ATOM 349 N LEU A 26 -3.382 2.734 1.815 1.00 0.19 N ATOM 350 CA LEU A 26 -2.915 3.989 2.343 1.00 0.18 C ATOM 351 C LEU A 26 -4.058 4.988 2.392 1.00 0.22 C ATOM 352 O LEU A 26 -4.974 4.937 1.576 1.00 0.31 O ATOM 353 CB LEU A 26 -1.762 4.576 1.518 1.00 0.22 C ATOM 354 CG LEU A 26 -0.373 3.980 1.766 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.022 4.095 3.231 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.315 2.540 1.292 1.00 0.85 C ATOM 0 H LEU A 26 -3.637 2.759 0.828 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.540 3.795 3.348 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -2.002 4.455 0.462 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.714 5.647 1.713 1.00 0.22 H new ATOM 0 HG LEU A 26 0.350 4.555 1.187 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.012 3.663 3.376 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.038 5.145 3.522 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.701 3.559 3.846 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.680 2.136 1.477 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -1.054 1.949 1.833 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.530 2.500 0.224 1.00 0.85 H new ATOM 368 N PRO A 27 -4.031 5.894 3.369 1.00 0.21 N ATOM 369 CA PRO A 27 -5.009 6.972 3.488 1.00 0.25 C ATOM 370 C PRO A 27 -4.606 8.196 2.685 1.00 0.26 C ATOM 371 O PRO A 27 -5.174 9.276 2.857 1.00 0.35 O ATOM 372 CB PRO A 27 -4.946 7.295 4.966 1.00 0.27 C ATOM 373 CG PRO A 27 -3.505 7.117 5.279 1.00 0.25 C ATOM 374 CD PRO A 27 -3.059 5.929 4.475 1.00 0.22 C ATOM 0 HA PRO A 27 -5.995 6.688 3.119 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.283 8.311 5.173 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.574 6.625 5.554 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.934 8.006 5.013 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.354 6.948 6.345 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -2.038 6.048 4.112 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -3.083 5.012 5.063 1.00 0.22 H new ATOM 382 N SER A 28 -3.602 8.013 1.835 1.00 0.22 N ATOM 383 CA SER A 28 -3.048 9.085 1.021 1.00 0.25 C ATOM 384 C SER A 28 -2.300 10.092 1.887 1.00 0.25 C ATOM 385 O SER A 28 -1.076 10.159 1.848 1.00 0.31 O ATOM 386 CB SER A 28 -4.148 9.779 0.203 1.00 0.35 C ATOM 387 OG SER A 28 -3.603 10.695 -0.728 1.00 0.91 O ATOM 0 H SER A 28 -3.148 7.111 1.691 1.00 0.22 H new ATOM 0 HA SER A 28 -2.337 8.644 0.323 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.738 9.030 -0.325 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.827 10.303 0.876 1.00 0.35 H new ATOM 0 HG SER A 28 -2.997 10.222 -1.336 1.00 0.91 H new ATOM 393 N ASN A 29 -3.038 10.799 2.723 1.00 0.29 N ATOM 394 CA ASN A 29 -2.516 11.942 3.476 1.00 0.36 C ATOM 395 C ASN A 29 -2.027 12.991 2.483 1.00 0.42 C ATOM 396 O ASN A 29 -0.835 13.303 2.442 1.00 0.48 O ATOM 397 CB ASN A 29 -1.346 11.563 4.398 1.00 0.42 C ATOM 398 CG ASN A 29 -1.474 10.210 5.073 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.130 10.067 6.104 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.804 9.213 4.509 1.00 0.39 N ATOM 0 H ASN A 29 -4.022 10.602 2.905 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.323 12.319 4.105 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.425 11.576 3.815 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.247 12.328 5.168 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.821 8.284 4.931 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -0.272 9.375 3.654 1.00 0.39 H new ATOM 407 N PRO A 30 -2.953 13.551 1.681 1.00 0.55 N ATOM 408 CA PRO A 30 -2.629 14.376 0.502 1.00 0.66 C ATOM 409 C PRO A 30 -1.575 15.437 0.782 1.00 0.72 C ATOM 410 O PRO A 30 -1.773 16.336 1.601 1.00 0.82 O ATOM 411 CB PRO A 30 -3.980 14.997 0.154 1.00 0.83 C ATOM 412 CG PRO A 30 -4.943 13.943 0.567 1.00 0.82 C ATOM 413 CD PRO A 30 -4.409 13.449 1.872 1.00 0.75 C ATOM 0 HA PRO A 30 -2.188 13.793 -0.307 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -4.147 15.930 0.692 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -4.059 15.223 -0.909 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -5.951 14.345 0.675 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -4.997 13.142 -0.170 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.752 14.059 2.708 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.721 12.425 2.076 1.00 0.75 H new ATOM 421 N THR A 31 -0.454 15.317 0.085 1.00 0.73 N ATOM 422 CA THR A 31 0.721 16.120 0.365 1.00 0.84 C ATOM 423 C THR A 31 0.766 17.413 -0.453 1.00 1.10 C ATOM 424 O THR A 31 0.269 18.452 -0.021 1.00 1.83 O ATOM 425 CB THR A 31 1.995 15.307 0.091 1.00 0.96 C ATOM 426 OG1 THR A 31 1.895 14.695 -1.207 1.00 1.60 O ATOM 427 CG2 THR A 31 2.201 14.229 1.142 1.00 0.81 C ATOM 0 H THR A 31 -0.336 14.661 -0.688 1.00 0.73 H new ATOM 0 HA THR A 31 0.664 16.397 1.418 1.00 0.84 H new ATOM 0 HB THR A 31 2.849 15.984 0.127 1.00 0.96 H new ATOM 0 HG1 THR A 31 1.481 13.811 -1.121 1.00 1.60 H new ATOM 0 HG21 THR A 31 3.111 13.672 0.919 1.00 0.81 H new ATOM 0 HG22 THR A 31 2.291 14.692 2.125 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.349 13.549 1.137 1.00 0.81 H new ATOM 435 N THR A 32 1.360 17.334 -1.636 1.00 1.19 N ATOM 436 CA THR A 32 1.563 18.504 -2.477 1.00 1.43 C ATOM 437 C THR A 32 1.877 18.073 -3.914 1.00 1.47 C ATOM 438 O THR A 32 2.479 18.810 -4.702 1.00 2.05 O ATOM 439 CB THR A 32 2.714 19.376 -1.914 1.00 1.62 C ATOM 440 OG1 THR A 32 2.765 20.641 -2.587 1.00 2.36 O ATOM 441 CG2 THR A 32 4.055 18.668 -2.052 1.00 1.32 C ATOM 0 H THR A 32 1.712 16.464 -2.037 1.00 1.19 H new ATOM 0 HA THR A 32 0.648 19.096 -2.481 1.00 1.43 H new ATOM 0 HB THR A 32 2.515 19.543 -0.855 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.705 20.499 -3.555 1.00 2.36 H new ATOM 0 HG21 THR A 32 4.845 19.302 -1.649 1.00 1.32 H new ATOM 0 HG22 THR A 32 4.028 17.728 -1.501 1.00 1.32 H new ATOM 0 HG23 THR A 32 4.253 18.466 -3.105 1.00 1.32 H new ATOM 449 N GLY A 33 1.465 16.861 -4.247 1.00 1.30 N ATOM 450 CA GLY A 33 1.732 16.319 -5.558 1.00 1.26 C ATOM 451 C GLY A 33 2.022 14.843 -5.493 1.00 1.01 C ATOM 452 O GLY A 33 1.680 14.087 -6.397 1.00 1.27 O ATOM 0 H GLY A 33 0.946 16.240 -3.626 1.00 1.30 H new ATOM 0 HA2 GLY A 33 0.875 16.495 -6.208 1.00 1.26 H new ATOM 0 HA3 GLY A 33 2.581 16.839 -6.003 1.00 1.26 H new ATOM 456 N PHE A 34 2.692 14.453 -4.424 1.00 0.86 N ATOM 457 CA PHE A 34 3.009 13.063 -4.168 1.00 0.88 C ATOM 458 C PHE A 34 1.742 12.231 -3.997 1.00 0.79 C ATOM 459 O PHE A 34 0.747 12.706 -3.448 1.00 1.11 O ATOM 460 CB PHE A 34 3.873 12.952 -2.907 1.00 1.25 C ATOM 461 CG PHE A 34 4.861 14.074 -2.767 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.651 14.448 -3.836 1.00 1.69 C ATOM 463 CD2 PHE A 34 4.978 14.774 -1.578 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.540 15.493 -3.728 1.00 1.94 C ATOM 465 CE2 PHE A 34 5.868 15.822 -1.463 1.00 2.22 C ATOM 466 CZ PHE A 34 6.649 16.182 -2.539 1.00 2.08 C ATOM 0 H PHE A 34 3.032 15.095 -3.708 1.00 0.86 H new ATOM 0 HA PHE A 34 3.559 12.676 -5.026 1.00 0.88 H new ATOM 0 HB2 PHE A 34 3.225 12.935 -2.031 1.00 1.25 H new ATOM 0 HB3 PHE A 34 4.410 12.004 -2.924 1.00 1.25 H new ATOM 0 HD1 PHE A 34 5.570 13.913 -4.770 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.366 14.497 -0.732 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.151 15.773 -4.573 1.00 1.94 H new ATOM 0 HE2 PHE A 34 5.952 16.360 -0.530 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.346 17.003 -2.451 1.00 2.08 H new ATOM 476 N ALA A 35 1.804 11.002 -4.484 1.00 0.44 N ATOM 477 CA ALA A 35 0.746 10.021 -4.299 1.00 0.37 C ATOM 478 C ALA A 35 1.389 8.667 -4.020 1.00 0.30 C ATOM 479 O ALA A 35 2.555 8.452 -4.383 1.00 0.30 O ATOM 480 CB ALA A 35 -0.131 9.949 -5.541 1.00 0.44 C ATOM 0 H ALA A 35 2.597 10.654 -5.023 1.00 0.44 H new ATOM 0 HA ALA A 35 0.113 10.309 -3.460 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.918 9.211 -5.388 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.580 10.925 -5.727 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.476 9.660 -6.399 1.00 0.44 H new ATOM 486 N TRP A 36 0.667 7.766 -3.359 1.00 0.26 N ATOM 487 CA TRP A 36 1.241 6.472 -3.006 1.00 0.21 C ATOM 488 C TRP A 36 1.202 5.504 -4.182 1.00 0.27 C ATOM 489 O TRP A 36 0.138 5.141 -4.681 1.00 0.43 O ATOM 490 CB TRP A 36 0.539 5.805 -1.816 1.00 0.20 C ATOM 491 CG TRP A 36 0.619 6.537 -0.515 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.305 7.384 0.033 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.680 6.432 0.433 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.123 7.803 1.264 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.340 7.234 1.533 1.00 0.17 C ATOM 496 CE3 TRP A 36 2.889 5.735 0.454 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.161 7.353 2.647 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.709 5.855 1.557 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.341 6.657 2.644 1.00 0.14 C ATOM 0 H TRP A 36 -0.299 7.904 -3.062 1.00 0.26 H new ATOM 0 HA TRP A 36 2.272 6.687 -2.726 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.512 5.668 -2.070 1.00 0.20 H new ATOM 0 HB3 TRP A 36 0.965 4.811 -1.678 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.233 7.678 -0.435 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.383 8.437 1.882 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.178 5.112 -0.380 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 1.879 7.972 3.486 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.648 5.323 1.582 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.000 6.728 3.497 1.00 0.14 H new ATOM 510 N TYR A 37 2.378 5.101 -4.619 1.00 0.27 N ATOM 511 CA TYR A 37 2.525 4.012 -5.570 1.00 0.34 C ATOM 512 C TYR A 37 3.507 3.013 -4.996 1.00 0.39 C ATOM 513 O TYR A 37 4.038 3.253 -3.933 1.00 0.78 O ATOM 514 CB TYR A 37 3.026 4.523 -6.919 1.00 0.53 C ATOM 515 CG TYR A 37 1.968 5.200 -7.754 1.00 0.61 C ATOM 516 CD1 TYR A 37 1.129 4.447 -8.559 1.00 1.42 C ATOM 517 CD2 TYR A 37 1.812 6.583 -7.748 1.00 0.90 C ATOM 518 CE1 TYR A 37 0.159 5.047 -9.334 1.00 2.10 C ATOM 519 CE2 TYR A 37 0.843 7.191 -8.522 1.00 1.47 C ATOM 520 CZ TYR A 37 0.020 6.416 -9.312 1.00 2.04 C ATOM 521 OH TYR A 37 -0.946 7.010 -10.087 1.00 2.78 O ATOM 0 H TYR A 37 3.261 5.518 -4.326 1.00 0.27 H new ATOM 0 HA TYR A 37 1.555 3.542 -5.736 1.00 0.34 H new ATOM 0 HB2 TYR A 37 3.843 5.224 -6.749 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.437 3.685 -7.482 1.00 0.53 H new ATOM 0 HD1 TYR A 37 1.236 3.373 -8.580 1.00 1.42 H new ATOM 0 HD2 TYR A 37 2.458 7.189 -7.130 1.00 0.90 H new ATOM 0 HE1 TYR A 37 -0.488 4.446 -9.955 1.00 2.10 H new ATOM 0 HE2 TYR A 37 0.731 8.265 -8.509 1.00 1.47 H new ATOM 0 HH TYR A 37 -1.812 6.585 -9.914 1.00 2.78 H new ATOM 531 N PHE A 38 3.732 1.892 -5.656 1.00 0.26 N ATOM 532 CA PHE A 38 4.805 1.003 -5.234 1.00 0.25 C ATOM 533 C PHE A 38 6.148 1.674 -5.467 1.00 0.32 C ATOM 534 O PHE A 38 6.797 2.123 -4.528 1.00 0.38 O ATOM 535 CB PHE A 38 4.766 -0.313 -5.987 1.00 0.27 C ATOM 536 CG PHE A 38 4.563 -1.513 -5.098 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.595 -2.000 -4.307 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.337 -2.152 -5.052 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.402 -3.101 -3.493 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.139 -3.252 -4.241 1.00 0.41 C ATOM 541 CZ PHE A 38 4.172 -3.728 -3.461 1.00 0.43 C ATOM 0 H PHE A 38 3.201 1.578 -6.468 1.00 0.26 H new ATOM 0 HA PHE A 38 4.668 0.795 -4.173 1.00 0.25 H new ATOM 0 HB2 PHE A 38 3.963 -0.277 -6.723 1.00 0.27 H new ATOM 0 HB3 PHE A 38 5.698 -0.434 -6.539 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.559 -1.514 -4.328 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.523 -1.785 -5.659 1.00 0.33 H new ATOM 0 HE1 PHE A 38 6.213 -3.470 -2.883 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.176 -3.739 -4.218 1.00 0.41 H new ATOM 0 HZ PHE A 38 4.019 -4.589 -2.827 1.00 0.43 H new ATOM 551 N GLU A 39 6.555 1.740 -6.727 1.00 0.40 N ATOM 552 CA GLU A 39 7.753 2.475 -7.099 1.00 0.51 C ATOM 553 C GLU A 39 7.380 3.719 -7.891 1.00 0.51 C ATOM 554 O GLU A 39 8.228 4.559 -8.185 1.00 0.61 O ATOM 555 CB GLU A 39 8.707 1.608 -7.920 1.00 0.61 C ATOM 556 CG GLU A 39 8.111 1.108 -9.225 1.00 1.11 C ATOM 557 CD GLU A 39 9.159 0.535 -10.153 1.00 1.75 C ATOM 558 OE1 GLU A 39 9.551 -0.636 -9.968 1.00 2.19 O ATOM 559 OE2 GLU A 39 9.601 1.256 -11.068 1.00 2.39 O ATOM 0 H GLU A 39 6.073 1.294 -7.507 1.00 0.40 H new ATOM 0 HA GLU A 39 8.263 2.767 -6.181 1.00 0.51 H new ATOM 0 HB2 GLU A 39 9.608 2.182 -8.139 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.013 0.751 -7.319 1.00 0.61 H new ATOM 0 HG2 GLU A 39 7.362 0.345 -9.011 1.00 1.11 H new ATOM 0 HG3 GLU A 39 7.596 1.929 -9.725 1.00 1.11 H new ATOM 566 N GLY A 40 6.106 3.826 -8.242 1.00 0.51 N ATOM 567 CA GLY A 40 5.649 4.973 -9.004 1.00 0.55 C ATOM 568 C GLY A 40 5.209 4.589 -10.399 1.00 0.56 C ATOM 569 O GLY A 40 6.035 4.267 -11.252 1.00 0.73 O ATOM 0 H GLY A 40 5.383 3.143 -8.015 1.00 0.51 H new ATOM 0 HA2 GLY A 40 4.820 5.449 -8.481 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.450 5.709 -9.067 1.00 0.55 H new ATOM 573 N GLY A 41 3.902 4.595 -10.625 1.00 0.55 N ATOM 574 CA GLY A 41 3.368 4.225 -11.925 1.00 0.70 C ATOM 575 C GLY A 41 3.231 2.722 -12.089 1.00 0.61 C ATOM 576 O GLY A 41 2.410 2.249 -12.870 1.00 0.70 O ATOM 0 H GLY A 41 3.199 4.850 -9.931 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.393 4.693 -12.060 1.00 0.70 H new ATOM 0 HA3 GLY A 41 4.020 4.615 -12.707 1.00 0.70 H new ATOM 580 N THR A 42 4.018 1.979 -11.326 1.00 0.53 N ATOM 581 CA THR A 42 4.035 0.531 -11.413 1.00 0.51 C ATOM 582 C THR A 42 3.852 -0.083 -10.040 1.00 0.43 C ATOM 583 O THR A 42 4.343 0.452 -9.040 1.00 0.44 O ATOM 584 CB THR A 42 5.359 0.027 -12.012 1.00 0.67 C ATOM 585 OG1 THR A 42 5.708 0.820 -13.156 1.00 1.13 O ATOM 586 CG2 THR A 42 5.253 -1.432 -12.424 1.00 0.92 C ATOM 0 H THR A 42 4.660 2.363 -10.632 1.00 0.53 H new ATOM 0 HA THR A 42 3.213 0.232 -12.064 1.00 0.51 H new ATOM 0 HB THR A 42 6.132 0.117 -11.249 1.00 0.67 H new ATOM 0 HG1 THR A 42 6.553 0.496 -13.533 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.203 -1.761 -12.844 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.012 -2.040 -11.552 1.00 0.92 H new ATOM 0 HG23 THR A 42 4.468 -1.543 -13.172 1.00 0.92 H new ATOM 594 N LYS A 43 3.106 -1.176 -9.995 1.00 0.49 N ATOM 595 CA LYS A 43 2.860 -1.881 -8.756 1.00 0.46 C ATOM 596 C LYS A 43 2.982 -3.390 -8.978 1.00 0.55 C ATOM 597 O LYS A 43 2.489 -3.924 -9.975 1.00 0.75 O ATOM 598 CB LYS A 43 1.478 -1.494 -8.199 1.00 0.58 C ATOM 599 CG LYS A 43 0.310 -2.376 -8.641 1.00 1.15 C ATOM 600 CD LYS A 43 -0.046 -2.174 -10.107 1.00 1.41 C ATOM 601 CE LYS A 43 -1.243 -3.023 -10.512 1.00 1.96 C ATOM 602 NZ LYS A 43 -1.595 -2.852 -11.949 1.00 2.52 N ATOM 0 H LYS A 43 2.659 -1.593 -10.812 1.00 0.49 H new ATOM 0 HA LYS A 43 3.608 -1.595 -8.017 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.529 -1.510 -7.110 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.264 -0.466 -8.493 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.564 -3.422 -8.472 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.562 -2.156 -8.024 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -0.267 -1.122 -10.287 1.00 1.41 H new ATOM 0 HD3 LYS A 43 0.811 -2.431 -10.729 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -1.024 -4.073 -10.316 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -2.101 -2.755 -9.895 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -2.415 -3.449 -12.179 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -1.830 -1.856 -12.133 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -0.786 -3.132 -12.540 1.00 2.52 H new ATOM 616 N GLU A 44 3.671 -4.071 -8.076 1.00 0.48 N ATOM 617 CA GLU A 44 3.848 -5.512 -8.202 1.00 0.60 C ATOM 618 C GLU A 44 3.462 -6.254 -6.922 1.00 0.49 C ATOM 619 O GLU A 44 3.636 -5.760 -5.811 1.00 0.54 O ATOM 620 CB GLU A 44 5.299 -5.854 -8.581 1.00 0.83 C ATOM 621 CG GLU A 44 6.342 -5.449 -7.543 1.00 0.92 C ATOM 622 CD GLU A 44 6.838 -4.026 -7.706 1.00 1.48 C ATOM 623 OE1 GLU A 44 6.135 -3.088 -7.288 1.00 2.30 O ATOM 624 OE2 GLU A 44 7.954 -3.842 -8.241 1.00 1.80 O ATOM 0 H GLU A 44 4.113 -3.656 -7.256 1.00 0.48 H new ATOM 0 HA GLU A 44 3.179 -5.842 -8.997 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.372 -6.928 -8.750 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.538 -5.366 -9.526 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.915 -5.564 -6.547 1.00 0.92 H new ATOM 0 HG3 GLU A 44 7.190 -6.130 -7.607 1.00 0.92 H new ATOM 631 N SER A 45 2.920 -7.448 -7.102 1.00 0.61 N ATOM 632 CA SER A 45 2.626 -8.351 -6.001 1.00 0.55 C ATOM 633 C SER A 45 3.568 -9.550 -6.090 1.00 0.80 C ATOM 634 O SER A 45 3.830 -10.054 -7.179 1.00 1.15 O ATOM 635 CB SER A 45 1.170 -8.808 -6.077 1.00 0.83 C ATOM 636 OG SER A 45 0.801 -9.159 -7.398 1.00 1.61 O ATOM 0 H SER A 45 2.671 -7.819 -8.019 1.00 0.61 H new ATOM 0 HA SER A 45 2.773 -7.841 -5.049 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.022 -9.664 -5.418 1.00 0.83 H new ATOM 0 HB3 SER A 45 0.519 -8.012 -5.716 1.00 0.83 H new ATOM 0 HG SER A 45 1.514 -8.896 -8.017 1.00 1.61 H new ATOM 642 N PRO A 46 4.115 -10.004 -4.964 1.00 0.85 N ATOM 643 CA PRO A 46 5.050 -11.128 -4.944 1.00 1.17 C ATOM 644 C PRO A 46 4.332 -12.452 -5.156 1.00 1.12 C ATOM 645 O PRO A 46 3.261 -12.675 -4.583 1.00 1.88 O ATOM 646 CB PRO A 46 5.670 -11.060 -3.538 1.00 1.50 C ATOM 647 CG PRO A 46 5.191 -9.770 -2.954 1.00 1.39 C ATOM 648 CD PRO A 46 3.880 -9.483 -3.624 1.00 0.92 C ATOM 0 HA PRO A 46 5.792 -11.068 -5.741 1.00 1.17 H new ATOM 0 HB2 PRO A 46 5.356 -11.908 -2.929 1.00 1.50 H new ATOM 0 HB3 PRO A 46 6.759 -11.089 -3.587 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.069 -9.851 -1.874 1.00 1.39 H new ATOM 0 HG3 PRO A 46 5.907 -8.968 -3.135 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.049 -9.985 -3.129 1.00 0.92 H new ATOM 0 HD3 PRO A 46 3.649 -8.418 -3.633 1.00 0.92 H new ATOM 656 N ASN A 47 4.927 -13.313 -5.981 1.00 1.01 N ATOM 657 CA ASN A 47 4.354 -14.617 -6.316 1.00 1.08 C ATOM 658 C ASN A 47 3.105 -14.459 -7.173 1.00 0.97 C ATOM 659 O ASN A 47 2.162 -15.251 -7.074 1.00 1.25 O ATOM 660 CB ASN A 47 4.034 -15.423 -5.046 1.00 1.23 C ATOM 661 CG ASN A 47 5.275 -15.813 -4.262 1.00 1.53 C ATOM 662 OD1 ASN A 47 6.325 -16.104 -4.839 1.00 2.43 O ATOM 663 ND2 ASN A 47 5.171 -15.799 -2.938 1.00 1.23 N ATOM 0 H ASN A 47 5.820 -13.126 -6.436 1.00 1.01 H new ATOM 0 HA ASN A 47 5.098 -15.168 -6.891 1.00 1.08 H new ATOM 0 HB2 ASN A 47 3.376 -14.835 -4.406 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.488 -16.325 -5.323 1.00 1.23 H new ATOM 0 HD21 ASN A 47 5.978 -16.035 -2.361 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.284 -15.553 -2.499 1.00 1.23 H new ATOM 670 N GLU A 48 3.105 -13.446 -8.031 1.00 0.86 N ATOM 671 CA GLU A 48 1.964 -13.192 -8.883 1.00 0.93 C ATOM 672 C GLU A 48 2.159 -13.818 -10.252 1.00 0.93 C ATOM 673 O GLU A 48 3.242 -13.776 -10.836 1.00 1.53 O ATOM 674 CB GLU A 48 1.674 -11.692 -9.010 1.00 1.24 C ATOM 675 CG GLU A 48 2.630 -10.924 -9.908 1.00 1.89 C ATOM 676 CD GLU A 48 2.076 -9.567 -10.299 1.00 2.65 C ATOM 677 OE1 GLU A 48 1.356 -9.492 -11.321 1.00 2.99 O ATOM 678 OE2 GLU A 48 2.346 -8.570 -9.591 1.00 3.26 O ATOM 0 H GLU A 48 3.880 -12.794 -8.150 1.00 0.86 H new ATOM 0 HA GLU A 48 1.098 -13.657 -8.412 1.00 0.93 H new ATOM 0 HB2 GLU A 48 0.661 -11.565 -9.391 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.699 -11.248 -8.015 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.583 -10.793 -9.395 1.00 1.89 H new ATOM 0 HG3 GLU A 48 2.830 -11.507 -10.807 1.00 1.89 H new ATOM 685 N SER A 49 1.085 -14.409 -10.729 1.00 0.94 N ATOM 686 CA SER A 49 1.027 -15.064 -12.023 1.00 1.13 C ATOM 687 C SER A 49 -0.357 -15.665 -12.165 1.00 1.05 C ATOM 688 O SER A 49 -1.087 -15.375 -13.112 1.00 1.48 O ATOM 689 CB SER A 49 2.098 -16.158 -12.151 1.00 1.39 C ATOM 690 OG SER A 49 2.112 -16.705 -13.461 1.00 2.06 O ATOM 0 H SER A 49 0.204 -14.450 -10.216 1.00 0.94 H new ATOM 0 HA SER A 49 1.222 -14.338 -12.812 1.00 1.13 H new ATOM 0 HB2 SER A 49 3.078 -15.742 -11.916 1.00 1.39 H new ATOM 0 HB3 SER A 49 1.905 -16.948 -11.425 1.00 1.39 H new ATOM 0 HG SER A 49 2.803 -17.398 -13.519 1.00 2.06 H new ATOM 696 N MET A 50 -0.712 -16.491 -11.191 1.00 0.77 N ATOM 697 CA MET A 50 -2.068 -17.013 -11.088 1.00 0.69 C ATOM 698 C MET A 50 -2.905 -16.073 -10.242 1.00 0.60 C ATOM 699 O MET A 50 -4.106 -15.916 -10.445 1.00 0.66 O ATOM 700 CB MET A 50 -2.068 -18.409 -10.478 1.00 0.68 C ATOM 701 CG MET A 50 -1.344 -18.500 -9.143 1.00 0.66 C ATOM 702 SD MET A 50 -1.460 -20.133 -8.390 1.00 1.25 S ATOM 703 CE MET A 50 -0.409 -19.916 -6.953 1.00 1.10 C ATOM 0 H MET A 50 -0.079 -16.815 -10.460 1.00 0.77 H new ATOM 0 HA MET A 50 -2.495 -17.083 -12.088 1.00 0.69 H new ATOM 0 HB2 MET A 50 -3.099 -18.736 -10.344 1.00 0.68 H new ATOM 0 HB3 MET A 50 -1.603 -19.101 -11.180 1.00 0.68 H new ATOM 0 HG2 MET A 50 -0.294 -18.246 -9.287 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.760 -17.760 -8.459 1.00 0.66 H new ATOM 0 HE1 MET A 50 -0.378 -20.844 -6.381 1.00 1.10 H new ATOM 0 HE2 MET A 50 0.599 -19.655 -7.275 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.808 -19.118 -6.327 1.00 1.10 H new ATOM 713 N PHE A 51 -2.237 -15.457 -9.287 1.00 0.52 N ATOM 714 CA PHE A 51 -2.834 -14.470 -8.412 1.00 0.44 C ATOM 715 C PHE A 51 -2.081 -13.158 -8.608 1.00 0.51 C ATOM 716 O PHE A 51 -0.971 -13.183 -9.132 1.00 0.74 O ATOM 717 CB PHE A 51 -2.778 -14.988 -6.968 1.00 0.37 C ATOM 718 CG PHE A 51 -3.975 -15.825 -6.598 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.294 -16.966 -7.318 1.00 0.60 C ATOM 720 CD2 PHE A 51 -4.787 -15.464 -5.534 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.397 -17.728 -6.988 1.00 0.73 C ATOM 722 CE2 PHE A 51 -5.891 -16.225 -5.198 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.195 -17.356 -5.926 1.00 0.61 C ATOM 0 H PHE A 51 -1.250 -15.631 -9.095 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.884 -14.293 -8.644 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.872 -15.580 -6.835 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.709 -14.141 -6.286 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.671 -17.263 -8.149 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.554 -14.578 -4.961 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.634 -18.613 -7.560 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.515 -15.934 -4.366 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.058 -17.951 -5.665 1.00 0.61 H new ATOM 733 N THR A 52 -2.666 -12.025 -8.232 1.00 0.47 N ATOM 734 CA THR A 52 -2.106 -10.730 -8.622 1.00 0.61 C ATOM 735 C THR A 52 -2.708 -9.573 -7.814 1.00 0.49 C ATOM 736 O THR A 52 -3.685 -9.750 -7.077 1.00 0.75 O ATOM 737 CB THR A 52 -2.295 -10.475 -10.138 1.00 1.10 C ATOM 738 OG1 THR A 52 -1.501 -9.355 -10.565 1.00 1.41 O ATOM 739 CG2 THR A 52 -3.759 -10.219 -10.468 1.00 1.46 C ATOM 0 H THR A 52 -3.514 -11.973 -7.667 1.00 0.47 H new ATOM 0 HA THR A 52 -1.039 -10.771 -8.401 1.00 0.61 H new ATOM 0 HB THR A 52 -1.967 -11.369 -10.669 1.00 1.10 H new ATOM 0 HG1 THR A 52 -0.588 -9.655 -10.757 1.00 1.41 H new ATOM 0 HG21 THR A 52 -3.865 -10.043 -11.538 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.353 -11.087 -10.182 1.00 1.46 H new ATOM 0 HG23 THR A 52 -4.108 -9.344 -9.920 1.00 1.46 H new ATOM 747 N VAL A 53 -2.101 -8.396 -7.951 1.00 0.46 N ATOM 748 CA VAL A 53 -2.467 -7.220 -7.169 1.00 0.44 C ATOM 749 C VAL A 53 -3.303 -6.225 -7.986 1.00 0.49 C ATOM 750 O VAL A 53 -3.051 -5.999 -9.172 1.00 0.76 O ATOM 751 CB VAL A 53 -1.194 -6.501 -6.648 1.00 0.67 C ATOM 752 CG1 VAL A 53 -0.288 -6.096 -7.803 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.542 -5.286 -5.799 1.00 1.31 C ATOM 0 H VAL A 53 -1.340 -8.232 -8.610 1.00 0.46 H new ATOM 0 HA VAL A 53 -3.070 -7.569 -6.331 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.659 -7.209 -6.015 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.597 -5.594 -7.412 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.014 -6.985 -8.358 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.826 -5.419 -8.467 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.625 -4.809 -5.453 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -2.116 -4.577 -6.396 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -2.134 -5.600 -4.940 1.00 1.31 H new ATOM 763 N GLU A 54 -4.310 -5.653 -7.341 1.00 0.45 N ATOM 764 CA GLU A 54 -5.080 -4.557 -7.906 1.00 0.52 C ATOM 765 C GLU A 54 -4.711 -3.269 -7.180 1.00 0.46 C ATOM 766 O GLU A 54 -4.466 -3.275 -5.971 1.00 0.59 O ATOM 767 CB GLU A 54 -6.588 -4.810 -7.773 1.00 0.71 C ATOM 768 CG GLU A 54 -7.035 -5.001 -6.332 1.00 1.35 C ATOM 769 CD GLU A 54 -8.367 -4.347 -6.017 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.593 -3.201 -6.458 1.00 2.45 O ATOM 771 OE2 GLU A 54 -9.173 -4.957 -5.288 1.00 2.18 O ATOM 0 H GLU A 54 -4.615 -5.937 -6.410 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.845 -4.475 -8.967 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -7.131 -3.971 -8.208 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.854 -5.695 -8.350 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -7.105 -6.068 -6.121 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -6.273 -4.593 -5.667 1.00 1.35 H new ATOM 778 N ASN A 55 -4.654 -2.173 -7.904 1.00 0.49 N ATOM 779 CA ASN A 55 -4.319 -0.893 -7.296 1.00 0.46 C ATOM 780 C ASN A 55 -5.415 0.128 -7.529 1.00 0.46 C ATOM 781 O ASN A 55 -5.916 0.288 -8.642 1.00 0.65 O ATOM 782 CB ASN A 55 -2.982 -0.356 -7.810 1.00 0.62 C ATOM 783 CG ASN A 55 -2.951 -0.140 -9.317 1.00 1.21 C ATOM 784 OD1 ASN A 55 -3.626 -0.831 -10.078 1.00 1.84 O ATOM 785 ND2 ASN A 55 -2.151 0.814 -9.760 1.00 1.93 N ATOM 0 H ASN A 55 -4.833 -2.136 -8.908 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.226 -1.065 -6.224 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -2.763 0.588 -7.311 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.190 -1.053 -7.535 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -2.080 0.996 -10.761 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -1.605 1.369 -9.101 1.00 1.93 H new ATOM 792 N LYS A 56 -5.778 0.820 -6.462 1.00 0.42 N ATOM 793 CA LYS A 56 -6.870 1.775 -6.497 1.00 0.43 C ATOM 794 C LYS A 56 -6.633 2.889 -5.497 1.00 0.46 C ATOM 795 O LYS A 56 -6.685 2.674 -4.285 1.00 0.53 O ATOM 796 CB LYS A 56 -8.195 1.080 -6.204 1.00 0.55 C ATOM 797 CG LYS A 56 -8.055 -0.264 -5.519 1.00 1.03 C ATOM 798 CD LYS A 56 -8.447 -0.179 -4.065 1.00 0.62 C ATOM 799 CE LYS A 56 -9.208 -1.413 -3.643 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.207 -1.834 -4.666 1.00 1.42 N ATOM 0 H LYS A 56 -5.326 0.736 -5.552 1.00 0.42 H new ATOM 0 HA LYS A 56 -6.915 2.207 -7.497 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -8.804 1.732 -5.578 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.735 0.943 -7.141 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.681 -1.000 -6.025 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -7.025 -0.611 -5.601 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -7.555 -0.068 -3.449 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -9.061 0.707 -3.900 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -8.506 -2.228 -3.466 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.717 -1.219 -2.699 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -10.949 -2.404 -4.212 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.635 -0.992 -5.101 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -9.735 -2.401 -5.399 1.00 1.42 H new ATOM 814 N TYR A 57 -6.376 4.072 -6.012 1.00 0.48 N ATOM 815 CA TYR A 57 -6.009 5.199 -5.178 1.00 0.56 C ATOM 816 C TYR A 57 -6.945 6.376 -5.399 1.00 0.57 C ATOM 817 O TYR A 57 -7.176 6.802 -6.532 1.00 0.71 O ATOM 818 CB TYR A 57 -4.555 5.589 -5.443 1.00 0.69 C ATOM 819 CG TYR A 57 -4.023 5.090 -6.763 1.00 0.54 C ATOM 820 CD1 TYR A 57 -4.279 5.771 -7.944 1.00 0.91 C ATOM 821 CD2 TYR A 57 -3.275 3.921 -6.825 1.00 0.61 C ATOM 822 CE1 TYR A 57 -3.808 5.301 -9.153 1.00 1.19 C ATOM 823 CE2 TYR A 57 -2.797 3.448 -8.027 1.00 0.98 C ATOM 824 CZ TYR A 57 -3.068 4.140 -9.190 1.00 1.19 C ATOM 825 OH TYR A 57 -2.600 3.664 -10.395 1.00 1.66 O ATOM 0 H TYR A 57 -6.414 4.280 -7.010 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.105 4.905 -4.133 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -4.469 6.675 -5.414 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -3.931 5.198 -4.639 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -4.856 6.684 -7.917 1.00 0.91 H new ATOM 0 HD2 TYR A 57 -3.065 3.375 -5.917 1.00 0.61 H new ATOM 0 HE1 TYR A 57 -4.018 5.840 -10.065 1.00 1.19 H new ATOM 0 HE2 TYR A 57 -2.213 2.540 -8.059 1.00 0.98 H new ATOM 0 HH TYR A 57 -2.442 4.415 -11.004 1.00 1.66 H new ATOM 835 N PHE A 58 -7.497 6.872 -4.305 1.00 0.52 N ATOM 836 CA PHE A 58 -8.452 7.960 -4.342 1.00 0.60 C ATOM 837 C PHE A 58 -8.015 9.102 -3.431 1.00 0.73 C ATOM 838 O PHE A 58 -8.119 9.011 -2.204 1.00 0.80 O ATOM 839 CB PHE A 58 -9.835 7.452 -3.924 1.00 0.67 C ATOM 840 CG PHE A 58 -10.399 6.425 -4.867 1.00 0.96 C ATOM 841 CD1 PHE A 58 -10.941 6.810 -6.083 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.373 5.076 -4.545 1.00 1.56 C ATOM 843 CE1 PHE A 58 -11.451 5.871 -6.958 1.00 1.65 C ATOM 844 CE2 PHE A 58 -10.879 4.133 -5.418 1.00 2.14 C ATOM 845 CZ PHE A 58 -11.418 4.531 -6.626 1.00 2.08 C ATOM 0 H PHE A 58 -7.294 6.529 -3.366 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.501 8.340 -5.362 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.770 7.021 -2.925 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.522 8.296 -3.863 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -10.965 7.856 -6.349 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -9.953 4.760 -3.602 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -11.875 6.184 -7.901 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -10.853 3.085 -5.156 1.00 2.14 H new ATOM 0 HZ PHE A 58 -11.813 3.795 -7.310 1.00 2.08 H new ATOM 855 N PRO A 59 -7.491 10.182 -4.024 1.00 0.90 N ATOM 856 CA PRO A 59 -7.135 11.402 -3.316 1.00 1.17 C ATOM 857 C PRO A 59 -8.291 12.404 -3.296 1.00 1.32 C ATOM 858 O PRO A 59 -8.585 13.060 -4.295 1.00 1.92 O ATOM 859 CB PRO A 59 -5.953 11.951 -4.130 1.00 1.46 C ATOM 860 CG PRO A 59 -5.889 11.129 -5.387 1.00 1.30 C ATOM 861 CD PRO A 59 -7.145 10.298 -5.437 1.00 1.01 C ATOM 0 HA PRO A 59 -6.894 11.221 -2.269 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -6.097 13.006 -4.362 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -5.023 11.873 -3.567 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -5.817 11.772 -6.264 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.005 10.491 -5.386 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -7.933 10.785 -6.011 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -6.972 9.324 -5.896 1.00 1.01 H new ATOM 869 N PRO A 60 -8.956 12.525 -2.141 1.00 1.14 N ATOM 870 CA PRO A 60 -10.126 13.397 -1.950 1.00 1.27 C ATOM 871 C PRO A 60 -9.763 14.869 -1.913 1.00 1.97 C ATOM 872 O PRO A 60 -10.588 15.740 -2.197 1.00 2.64 O ATOM 873 CB PRO A 60 -10.638 12.987 -0.574 1.00 1.41 C ATOM 874 CG PRO A 60 -9.972 11.698 -0.270 1.00 1.85 C ATOM 875 CD PRO A 60 -8.630 11.804 -0.912 1.00 1.56 C ATOM 0 HA PRO A 60 -10.840 13.285 -2.766 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -10.395 13.740 0.175 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -11.722 12.877 -0.576 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -9.885 11.541 0.805 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -10.537 10.856 -0.670 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -7.919 12.350 -0.291 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -8.192 10.826 -1.113 1.00 1.56 H new ATOM 883 N ASP A 61 -8.525 15.135 -1.561 1.00 2.53 N ATOM 884 CA ASP A 61 -8.078 16.485 -1.300 1.00 3.55 C ATOM 885 C ASP A 61 -6.624 16.605 -1.713 1.00 4.33 C ATOM 886 O ASP A 61 -6.059 15.657 -2.259 1.00 4.81 O ATOM 887 CB ASP A 61 -8.242 16.791 0.189 1.00 4.18 C ATOM 888 CG ASP A 61 -8.248 18.261 0.499 1.00 5.17 C ATOM 889 OD1 ASP A 61 -9.330 18.878 0.472 1.00 5.51 O ATOM 890 OD2 ASP A 61 -7.164 18.797 0.783 1.00 5.80 O ATOM 0 H ASP A 61 -7.802 14.424 -1.448 1.00 2.53 H new ATOM 0 HA ASP A 61 -8.671 17.200 -1.870 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -9.173 16.349 0.543 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -7.433 16.314 0.742 1.00 4.18 H new ATOM 895 N SER A 62 -6.021 17.744 -1.441 1.00 4.84 N ATOM 896 CA SER A 62 -4.628 17.963 -1.811 1.00 5.85 C ATOM 897 C SER A 62 -3.929 18.991 -0.913 1.00 6.45 C ATOM 898 O SER A 62 -2.776 19.341 -1.159 1.00 6.95 O ATOM 899 CB SER A 62 -4.538 18.398 -3.282 1.00 6.81 C ATOM 900 OG SER A 62 -3.190 18.562 -3.694 1.00 7.43 O ATOM 0 H SER A 62 -6.466 18.531 -0.968 1.00 4.84 H new ATOM 0 HA SER A 62 -4.108 17.015 -1.672 1.00 5.85 H new ATOM 0 HB2 SER A 62 -5.025 17.654 -3.913 1.00 6.81 H new ATOM 0 HB3 SER A 62 -5.078 19.335 -3.419 1.00 6.81 H new ATOM 0 HG SER A 62 -2.633 18.772 -2.915 1.00 7.43 H new ATOM 906 N LYS A 63 -4.605 19.472 0.123 1.00 6.69 N ATOM 907 CA LYS A 63 -3.984 20.423 1.037 1.00 7.56 C ATOM 908 C LYS A 63 -4.293 20.063 2.488 1.00 7.34 C ATOM 909 O LYS A 63 -3.681 20.593 3.418 1.00 8.03 O ATOM 910 CB LYS A 63 -4.427 21.866 0.733 1.00 8.44 C ATOM 911 CG LYS A 63 -5.861 22.208 1.127 1.00 8.39 C ATOM 912 CD LYS A 63 -6.894 21.570 0.212 1.00 7.90 C ATOM 913 CE LYS A 63 -8.287 22.112 0.500 1.00 8.47 C ATOM 914 NZ LYS A 63 -9.340 21.389 -0.264 1.00 8.71 N ATOM 0 H LYS A 63 -5.568 19.224 0.350 1.00 6.69 H new ATOM 0 HA LYS A 63 -2.906 20.365 0.889 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -3.754 22.551 1.248 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -4.309 22.047 -0.335 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -6.039 21.881 2.151 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -5.988 23.290 1.112 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -6.633 21.764 -0.828 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -6.886 20.488 0.347 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -8.494 22.030 1.567 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -8.322 23.172 0.249 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -10.203 21.968 -0.299 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -9.005 21.209 -1.232 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -9.549 20.484 0.204 1.00 8.71 H new ATOM 928 N LEU A 64 -5.246 19.161 2.674 1.00 6.59 N ATOM 929 CA LEU A 64 -5.621 18.714 4.001 1.00 6.64 C ATOM 930 C LEU A 64 -5.946 17.222 3.993 1.00 5.83 C ATOM 931 O LEU A 64 -5.102 16.389 4.326 1.00 6.33 O ATOM 932 CB LEU A 64 -6.829 19.511 4.499 1.00 6.54 C ATOM 933 CG LEU A 64 -7.269 19.223 5.935 1.00 7.43 C ATOM 934 CD1 LEU A 64 -6.183 19.633 6.920 1.00 7.88 C ATOM 935 CD2 LEU A 64 -8.575 19.945 6.241 1.00 8.10 C ATOM 0 H LEU A 64 -5.773 18.725 1.918 1.00 6.59 H new ATOM 0 HA LEU A 64 -4.780 18.881 4.674 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -6.599 20.573 4.415 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -7.670 19.313 3.835 1.00 6.54 H new ATOM 0 HG LEU A 64 -7.434 18.151 6.040 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -6.515 19.420 7.936 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -5.272 19.073 6.711 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -5.984 20.700 6.819 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -8.877 19.732 7.266 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -8.434 21.019 6.120 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -9.350 19.602 5.556 1.00 8.10 H new ATOM 947 N LEU A 65 -7.160 16.906 3.561 1.00 4.74 N ATOM 948 CA LEU A 65 -7.677 15.541 3.556 1.00 4.07 C ATOM 949 C LEU A 65 -9.161 15.573 3.242 1.00 3.22 C ATOM 950 O LEU A 65 -9.925 16.259 3.918 1.00 3.56 O ATOM 951 CB LEU A 65 -7.474 14.849 4.911 1.00 4.05 C ATOM 952 CG LEU A 65 -7.746 13.340 4.923 1.00 4.01 C ATOM 953 CD1 LEU A 65 -6.616 12.584 4.249 1.00 4.35 C ATOM 954 CD2 LEU A 65 -7.942 12.851 6.350 1.00 4.56 C ATOM 0 H LEU A 65 -7.820 17.595 3.201 1.00 4.74 H new ATOM 0 HA LEU A 65 -7.130 14.978 2.800 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -6.448 15.019 5.237 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -8.125 15.325 5.645 1.00 4.05 H new ATOM 0 HG LEU A 65 -8.661 13.150 4.362 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -6.830 11.515 4.269 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -6.522 12.916 3.215 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -5.683 12.777 4.778 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -8.134 11.778 6.344 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -7.043 13.055 6.931 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -8.790 13.369 6.799 1.00 4.56 H new ATOM 966 N GLY A 66 -9.559 14.841 2.219 1.00 2.53 N ATOM 967 CA GLY A 66 -10.961 14.768 1.850 1.00 2.28 C ATOM 968 C GLY A 66 -11.717 13.778 2.710 1.00 2.48 C ATOM 969 O GLY A 66 -12.367 12.877 2.183 1.00 3.02 O ATOM 0 H GLY A 66 -8.934 14.290 1.630 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -11.414 15.754 1.947 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -11.047 14.479 0.802 1.00 2.28 H new ATOM 973 N ALA A 67 -11.600 13.942 4.030 1.00 2.66 N ATOM 974 CA ALA A 67 -12.189 13.021 5.007 1.00 3.24 C ATOM 975 C ALA A 67 -11.491 11.667 4.974 1.00 3.13 C ATOM 976 O ALA A 67 -10.744 11.319 5.887 1.00 3.73 O ATOM 977 CB ALA A 67 -13.686 12.841 4.785 1.00 4.02 C ATOM 0 H ALA A 67 -11.093 14.719 4.453 1.00 2.66 H new ATOM 0 HA ALA A 67 -12.045 13.468 5.991 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -14.084 12.151 5.529 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -14.186 13.805 4.879 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -13.860 12.438 3.787 1.00 4.02 H new ATOM 983 N GLY A 68 -11.724 10.918 3.911 1.00 2.74 N ATOM 984 CA GLY A 68 -11.152 9.600 3.800 1.00 2.84 C ATOM 985 C GLY A 68 -10.254 9.457 2.593 1.00 2.21 C ATOM 986 O GLY A 68 -10.638 8.837 1.597 1.00 2.79 O ATOM 0 H GLY A 68 -12.302 11.203 3.120 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -10.581 9.379 4.702 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -11.954 8.864 3.741 1.00 2.84 H new ATOM 990 N GLY A 69 -9.068 10.059 2.665 1.00 1.49 N ATOM 991 CA GLY A 69 -8.056 9.808 1.662 1.00 1.05 C ATOM 992 C GLY A 69 -7.769 8.332 1.585 1.00 0.84 C ATOM 993 O GLY A 69 -7.638 7.683 2.619 1.00 1.12 O ATOM 0 H GLY A 69 -8.795 10.713 3.399 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.394 10.173 0.692 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.144 10.353 1.908 1.00 1.05 H new ATOM 997 N THR A 70 -7.698 7.778 0.389 1.00 0.52 N ATOM 998 CA THR A 70 -7.671 6.339 0.268 1.00 0.46 C ATOM 999 C THR A 70 -6.986 5.841 -0.996 1.00 0.39 C ATOM 1000 O THR A 70 -7.620 5.614 -2.017 1.00 0.44 O ATOM 1001 CB THR A 70 -9.102 5.792 0.336 1.00 0.58 C ATOM 1002 OG1 THR A 70 -10.031 6.792 -0.109 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.432 5.371 1.761 1.00 0.59 C ATOM 0 H THR A 70 -7.659 8.291 -0.492 1.00 0.52 H new ATOM 0 HA THR A 70 -7.075 5.968 1.102 1.00 0.46 H new ATOM 0 HB THR A 70 -9.180 4.922 -0.316 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.194 7.433 0.615 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.450 4.984 1.799 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.737 4.595 2.082 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.346 6.232 2.424 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.692 5.623 -0.892 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.908 5.054 -1.976 1.00 0.34 C ATOM 1013 C GLU A 71 -4.475 3.643 -1.591 1.00 0.31 C ATOM 1014 O GLU A 71 -3.580 3.472 -0.773 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.686 5.934 -2.252 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.040 7.384 -2.554 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.835 8.208 -2.960 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.532 8.257 -4.167 1.00 0.81 O ATOM 1019 OE2 GLU A 71 -2.196 8.808 -2.072 1.00 0.53 O ATOM 0 H GLU A 71 -5.150 5.834 -0.054 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.510 5.008 -2.883 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.022 5.902 -1.388 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.132 5.520 -3.095 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.781 7.414 -3.353 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.501 7.832 -1.674 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.113 2.623 -2.152 1.00 0.31 N ATOM 1027 CA HIS A 72 -4.867 1.268 -1.677 1.00 0.32 C ATOM 1028 C HIS A 72 -4.181 0.402 -2.722 1.00 0.29 C ATOM 1029 O HIS A 72 -4.239 0.667 -3.924 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.133 0.511 -1.244 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.280 1.292 -0.674 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.276 0.688 0.058 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.611 2.599 -0.731 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.160 1.586 0.420 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.789 2.758 -0.048 1.00 0.53 N ATOM 0 H HIS A 72 -5.786 2.703 -2.915 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.225 1.424 -0.810 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.504 -0.036 -2.111 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.837 -0.231 -0.502 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.320 -0.306 0.284 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.050 3.378 -1.225 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.047 1.395 1.006 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.563 -0.656 -2.221 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.901 -1.673 -3.018 1.00 0.25 C ATOM 1046 C PHE A 73 -3.333 -3.056 -2.536 1.00 0.25 C ATOM 1047 O PHE A 73 -2.968 -3.482 -1.448 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.389 -1.513 -2.869 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.839 -0.385 -3.688 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -0.958 0.924 -3.252 1.00 0.75 C ATOM 1051 CD2 PHE A 73 -0.218 -0.630 -4.900 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.465 1.966 -4.008 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.277 0.409 -5.661 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.154 1.708 -5.214 1.00 1.13 C ATOM 0 H PHE A 73 -3.507 -0.835 -1.218 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.175 -1.563 -4.067 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.148 -1.344 -1.819 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.900 -2.441 -3.163 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.442 1.131 -2.309 1.00 0.75 H new ATOM 0 HD2 PHE A 73 -0.120 -1.646 -5.254 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.563 2.983 -3.657 1.00 1.10 H new ATOM 0 HE2 PHE A 73 0.760 0.205 -6.605 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.542 2.523 -5.807 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.126 -3.746 -3.330 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.709 -5.014 -2.903 1.00 0.30 C ATOM 1066 C HIS A 74 -4.074 -6.191 -3.635 1.00 0.31 C ATOM 1067 O HIS A 74 -4.355 -6.405 -4.806 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.215 -5.010 -3.170 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.019 -4.178 -2.226 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.381 -4.289 -2.126 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -6.653 -3.241 -1.318 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -8.817 -3.472 -1.198 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -7.791 -2.820 -0.680 1.00 0.45 N ATOM 0 H HIS A 74 -4.385 -3.456 -4.273 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.519 -5.126 -1.836 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.388 -4.652 -4.185 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.579 -6.036 -3.128 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -5.649 -2.890 -1.131 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -9.849 -3.351 -0.904 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -7.838 -2.125 0.065 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.251 -6.977 -2.952 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.614 -8.110 -3.600 1.00 0.26 C ATOM 1084 C VAL A 75 -3.293 -9.409 -3.187 1.00 0.25 C ATOM 1085 O VAL A 75 -3.350 -9.772 -2.010 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.069 -8.172 -3.363 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.653 -7.439 -2.103 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -0.577 -9.612 -3.308 1.00 0.87 C ATOM 0 H VAL A 75 -3.014 -6.853 -1.968 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.741 -7.971 -4.674 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.606 -7.670 -4.213 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.428 -7.510 -1.981 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.942 -6.391 -2.180 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.146 -7.889 -1.241 1.00 0.71 H new ATOM 0 HG21 VAL A 75 0.500 -9.622 -3.142 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.075 -10.136 -2.492 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -0.804 -10.110 -4.251 1.00 0.87 H new ATOM 1098 N THR A 76 -3.827 -10.096 -4.170 1.00 0.28 N ATOM 1099 CA THR A 76 -4.472 -11.361 -3.936 1.00 0.32 C ATOM 1100 C THR A 76 -3.526 -12.455 -4.374 1.00 0.34 C ATOM 1101 O THR A 76 -3.301 -12.632 -5.564 1.00 0.39 O ATOM 1102 CB THR A 76 -5.786 -11.480 -4.729 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.533 -10.261 -4.632 1.00 0.46 O ATOM 1104 CG2 THR A 76 -6.630 -12.633 -4.205 1.00 0.45 C ATOM 0 H THR A 76 -3.826 -9.795 -5.145 1.00 0.28 H new ATOM 0 HA THR A 76 -4.714 -11.446 -2.877 1.00 0.32 H new ATOM 0 HB THR A 76 -5.536 -11.672 -5.772 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.366 -10.346 -5.141 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.554 -12.698 -4.780 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.074 -13.565 -4.304 1.00 0.45 H new ATOM 0 HG23 THR A 76 -6.868 -12.462 -3.155 1.00 0.45 H new ATOM 1112 N VAL A 77 -2.930 -13.134 -3.406 1.00 0.36 N ATOM 1113 CA VAL A 77 -1.978 -14.204 -3.679 1.00 0.41 C ATOM 1114 C VAL A 77 -2.062 -15.275 -2.600 1.00 0.45 C ATOM 1115 O VAL A 77 -2.398 -14.974 -1.455 1.00 0.60 O ATOM 1116 CB VAL A 77 -0.526 -13.658 -3.741 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.166 -12.924 -2.456 1.00 0.90 C ATOM 1118 CG2 VAL A 77 0.478 -14.774 -3.998 1.00 1.04 C ATOM 0 H VAL A 77 -3.090 -12.962 -2.414 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.235 -14.636 -4.646 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.480 -12.956 -4.574 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.856 -12.551 -2.524 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -0.849 -12.087 -2.312 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.247 -13.608 -1.611 1.00 0.90 H new ATOM 0 HG21 VAL A 77 1.484 -14.357 -4.035 1.00 1.04 H new ATOM 0 HG22 VAL A 77 0.419 -15.508 -3.195 1.00 1.04 H new ATOM 0 HG23 VAL A 77 0.250 -15.257 -4.948 1.00 1.04 H new ATOM 1128 N LYS A 78 -1.788 -16.523 -2.966 1.00 0.39 N ATOM 1129 CA LYS A 78 -1.581 -17.555 -1.970 1.00 0.41 C ATOM 1130 C LYS A 78 -0.334 -18.379 -2.323 1.00 0.40 C ATOM 1131 O LYS A 78 -0.336 -19.209 -3.238 1.00 0.42 O ATOM 1132 CB LYS A 78 -2.833 -18.438 -1.773 1.00 0.48 C ATOM 1133 CG LYS A 78 -3.063 -19.536 -2.809 1.00 0.77 C ATOM 1134 CD LYS A 78 -3.487 -18.992 -4.164 1.00 0.61 C ATOM 1135 CE LYS A 78 -3.547 -20.099 -5.204 1.00 1.29 C ATOM 1136 NZ LYS A 78 -4.486 -21.186 -4.825 1.00 1.54 N ATOM 0 H LYS A 78 -1.706 -16.837 -3.933 1.00 0.39 H new ATOM 0 HA LYS A 78 -1.409 -17.073 -1.008 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -2.770 -18.905 -0.790 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -3.709 -17.790 -1.763 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -2.147 -20.115 -2.926 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -3.828 -20.220 -2.442 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.464 -18.516 -4.079 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -2.785 -18.223 -4.487 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -3.852 -19.677 -6.162 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -2.550 -20.517 -5.343 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -4.594 -21.845 -5.622 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -4.111 -21.697 -4.001 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -5.412 -20.777 -4.586 1.00 1.54 H new ATOM 1150 N ALA A 79 0.752 -18.092 -1.622 1.00 0.39 N ATOM 1151 CA ALA A 79 2.010 -18.798 -1.802 1.00 0.40 C ATOM 1152 C ALA A 79 2.966 -18.446 -0.675 1.00 0.43 C ATOM 1153 O ALA A 79 3.198 -17.272 -0.420 1.00 0.67 O ATOM 1154 CB ALA A 79 2.633 -18.467 -3.151 1.00 0.46 C ATOM 0 H ALA A 79 0.785 -17.361 -0.911 1.00 0.39 H new ATOM 0 HA ALA A 79 1.811 -19.870 -1.779 1.00 0.40 H new ATOM 0 HB1 ALA A 79 3.573 -19.008 -3.260 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.951 -18.760 -3.949 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.822 -17.395 -3.211 1.00 0.46 H new ATOM 1160 N ALA A 80 3.511 -19.466 -0.015 1.00 0.34 N ATOM 1161 CA ALA A 80 4.415 -19.272 1.118 1.00 0.33 C ATOM 1162 C ALA A 80 5.590 -18.362 0.761 1.00 0.34 C ATOM 1163 O ALA A 80 6.549 -18.786 0.112 1.00 0.44 O ATOM 1164 CB ALA A 80 4.922 -20.615 1.620 1.00 0.37 C ATOM 0 H ALA A 80 3.340 -20.444 -0.248 1.00 0.34 H new ATOM 0 HA ALA A 80 3.850 -18.781 1.910 1.00 0.33 H new ATOM 0 HB1 ALA A 80 5.594 -20.458 2.464 1.00 0.37 H new ATOM 0 HB2 ALA A 80 4.078 -21.227 1.938 1.00 0.37 H new ATOM 0 HB3 ALA A 80 5.458 -21.124 0.819 1.00 0.37 H new ATOM 1170 N GLY A 81 5.496 -17.108 1.182 1.00 0.28 N ATOM 1171 CA GLY A 81 6.536 -16.138 0.918 1.00 0.29 C ATOM 1172 C GLY A 81 6.425 -14.948 1.841 1.00 0.25 C ATOM 1173 O GLY A 81 5.431 -14.790 2.542 1.00 0.26 O ATOM 0 H GLY A 81 4.704 -16.743 1.710 1.00 0.28 H new ATOM 0 HA2 GLY A 81 7.513 -16.606 1.041 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.471 -15.805 -0.118 1.00 0.29 H new ATOM 1177 N THR A 82 7.441 -14.118 1.881 1.00 0.26 N ATOM 1178 CA THR A 82 7.378 -12.932 2.704 1.00 0.25 C ATOM 1179 C THR A 82 7.122 -11.712 1.834 1.00 0.25 C ATOM 1180 O THR A 82 7.819 -11.479 0.846 1.00 0.30 O ATOM 1181 CB THR A 82 8.669 -12.729 3.507 1.00 0.32 C ATOM 1182 OG1 THR A 82 9.287 -14.000 3.759 1.00 0.40 O ATOM 1183 CG2 THR A 82 8.353 -12.038 4.826 1.00 0.36 C ATOM 0 H THR A 82 8.310 -14.239 1.361 1.00 0.26 H new ATOM 0 HA THR A 82 6.559 -13.062 3.411 1.00 0.25 H new ATOM 0 HB THR A 82 9.354 -12.105 2.933 1.00 0.32 H new ATOM 0 HG1 THR A 82 10.112 -13.867 4.271 1.00 0.40 H new ATOM 0 HG21 THR A 82 9.274 -11.896 5.392 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.896 -11.068 4.628 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.663 -12.654 5.403 1.00 0.36 H new ATOM 1191 N HIS A 83 6.123 -10.936 2.206 1.00 0.24 N ATOM 1192 CA HIS A 83 5.712 -9.791 1.424 1.00 0.25 C ATOM 1193 C HIS A 83 6.221 -8.515 2.083 1.00 0.24 C ATOM 1194 O HIS A 83 5.681 -8.071 3.096 1.00 0.24 O ATOM 1195 CB HIS A 83 4.181 -9.730 1.319 1.00 0.27 C ATOM 1196 CG HIS A 83 3.675 -8.803 0.244 1.00 0.31 C ATOM 1197 ND1 HIS A 83 4.375 -7.693 -0.199 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.518 -8.812 -0.462 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.665 -7.060 -1.117 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.536 -7.719 -1.297 1.00 0.39 N ATOM 0 H HIS A 83 5.577 -11.082 3.055 1.00 0.24 H new ATOM 0 HA HIS A 83 6.131 -9.886 0.422 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.800 -10.733 1.128 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.774 -9.412 2.279 1.00 0.27 H new ATOM 0 HD1 HIS A 83 5.297 -7.408 0.132 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.727 -9.543 -0.383 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.959 -6.157 -1.632 1.00 0.40 H new ATOM 1209 N ALA A 84 7.233 -7.912 1.492 1.00 0.25 N ATOM 1210 CA ALA A 84 7.747 -6.650 1.983 1.00 0.25 C ATOM 1211 C ALA A 84 7.213 -5.541 1.106 1.00 0.25 C ATOM 1212 O ALA A 84 7.584 -5.414 -0.057 1.00 0.35 O ATOM 1213 CB ALA A 84 9.268 -6.650 1.992 1.00 0.31 C ATOM 0 H ALA A 84 7.716 -8.276 0.671 1.00 0.25 H new ATOM 0 HA ALA A 84 7.419 -6.495 3.011 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.630 -5.692 2.365 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.628 -7.450 2.639 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.638 -6.808 0.979 1.00 0.31 H new ATOM 1219 N VAL A 85 6.315 -4.753 1.655 1.00 0.22 N ATOM 1220 CA VAL A 85 5.572 -3.803 0.853 1.00 0.23 C ATOM 1221 C VAL A 85 6.115 -2.411 1.056 1.00 0.22 C ATOM 1222 O VAL A 85 5.869 -1.786 2.085 1.00 0.25 O ATOM 1223 CB VAL A 85 4.080 -3.807 1.212 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.244 -3.287 0.050 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.637 -5.193 1.648 1.00 0.59 C ATOM 0 H VAL A 85 6.082 -4.750 2.648 1.00 0.22 H new ATOM 0 HA VAL A 85 5.684 -4.102 -0.189 1.00 0.23 H new ATOM 0 HB VAL A 85 3.924 -3.133 2.054 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.190 -3.299 0.326 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.546 -2.267 -0.187 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.397 -3.923 -0.822 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.576 -5.174 1.898 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.806 -5.901 0.837 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.211 -5.500 2.523 1.00 0.59 H new ATOM 1235 N ASN A 86 6.867 -1.944 0.073 1.00 0.22 N ATOM 1236 CA ASN A 86 7.421 -0.604 0.105 1.00 0.22 C ATOM 1237 C ASN A 86 6.717 0.249 -0.931 1.00 0.20 C ATOM 1238 O ASN A 86 6.987 0.147 -2.126 1.00 0.24 O ATOM 1239 CB ASN A 86 8.929 -0.615 -0.178 1.00 0.28 C ATOM 1240 CG ASN A 86 9.770 -1.258 0.917 1.00 0.85 C ATOM 1241 OD1 ASN A 86 10.893 -0.831 1.179 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.256 -2.305 1.542 1.00 0.94 N ATOM 0 H ASN A 86 7.108 -2.479 -0.762 1.00 0.22 H new ATOM 0 HA ASN A 86 7.268 -0.191 1.102 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.107 -1.145 -1.114 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.267 0.411 -0.323 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.795 -2.783 2.265 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.321 -2.634 1.301 1.00 0.94 H new ATOM 1249 N LEU A 87 5.820 1.093 -0.464 1.00 0.18 N ATOM 1250 CA LEU A 87 5.045 1.947 -1.343 1.00 0.19 C ATOM 1251 C LEU A 87 5.573 3.365 -1.268 1.00 0.18 C ATOM 1252 O LEU A 87 5.634 3.950 -0.200 1.00 0.18 O ATOM 1253 CB LEU A 87 3.568 1.900 -0.961 1.00 0.20 C ATOM 1254 CG LEU A 87 2.912 0.529 -1.128 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.491 0.539 -0.603 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.927 0.108 -2.575 1.00 0.22 C ATOM 0 H LEU A 87 5.608 1.207 0.527 1.00 0.18 H new ATOM 0 HA LEU A 87 5.141 1.589 -2.368 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.464 2.214 0.078 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.026 2.624 -1.569 1.00 0.20 H new ATOM 0 HG LEU A 87 3.488 -0.191 -0.546 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.048 -0.448 -0.734 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.496 0.797 0.456 1.00 0.24 H new ATOM 0 HD13 LEU A 87 0.905 1.276 -1.153 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.456 -0.870 -2.674 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.379 0.837 -3.172 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.957 0.052 -2.927 1.00 0.22 H new ATOM 1268 N THR A 88 5.909 3.923 -2.406 1.00 0.21 N ATOM 1269 CA THR A 88 6.635 5.167 -2.456 1.00 0.21 C ATOM 1270 C THR A 88 5.694 6.331 -2.755 1.00 0.21 C ATOM 1271 O THR A 88 4.988 6.349 -3.765 1.00 0.29 O ATOM 1272 CB THR A 88 7.742 5.088 -3.522 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.378 3.809 -3.453 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.788 6.165 -3.300 1.00 0.29 C ATOM 0 H THR A 88 5.687 3.528 -3.320 1.00 0.21 H new ATOM 0 HA THR A 88 7.092 5.340 -1.482 1.00 0.21 H new ATOM 0 HB THR A 88 7.285 5.235 -4.500 1.00 0.25 H new ATOM 0 HG1 THR A 88 7.943 3.193 -4.079 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.559 6.087 -4.067 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.317 7.147 -3.357 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.240 6.036 -2.317 1.00 0.29 H new ATOM 1282 N TYR A 89 5.697 7.292 -1.845 1.00 0.24 N ATOM 1283 CA TYR A 89 4.788 8.426 -1.876 1.00 0.27 C ATOM 1284 C TYR A 89 5.440 9.594 -2.611 1.00 0.27 C ATOM 1285 O TYR A 89 6.068 10.456 -1.987 1.00 0.30 O ATOM 1286 CB TYR A 89 4.461 8.820 -0.428 1.00 0.37 C ATOM 1287 CG TYR A 89 3.251 9.707 -0.262 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.431 10.001 -1.331 1.00 0.68 C ATOM 1289 CD2 TYR A 89 2.932 10.241 0.976 1.00 1.00 C ATOM 1290 CE1 TYR A 89 1.323 10.805 -1.178 1.00 0.69 C ATOM 1291 CE2 TYR A 89 1.823 11.046 1.138 1.00 1.11 C ATOM 1292 CZ TYR A 89 1.022 11.326 0.050 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.084 12.133 0.189 1.00 0.80 O ATOM 0 H TYR A 89 6.340 7.306 -1.053 1.00 0.24 H new ATOM 0 HA TYR A 89 3.871 8.162 -2.403 1.00 0.27 H new ATOM 0 HB2 TYR A 89 4.308 7.911 0.153 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.326 9.329 -0.002 1.00 0.37 H new ATOM 0 HD1 TYR A 89 2.661 9.594 -2.305 1.00 0.68 H new ATOM 0 HD2 TYR A 89 3.561 10.024 1.827 1.00 1.00 H new ATOM 0 HE1 TYR A 89 0.693 11.024 -2.027 1.00 0.69 H new ATOM 0 HE2 TYR A 89 1.584 11.454 2.109 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.171 12.410 1.125 1.00 0.80 H new ATOM 1303 N MET A 90 5.289 9.627 -3.935 1.00 0.29 N ATOM 1304 CA MET A 90 5.987 10.618 -4.759 1.00 0.34 C ATOM 1305 C MET A 90 5.053 11.241 -5.759 1.00 0.38 C ATOM 1306 O MET A 90 3.969 10.732 -6.018 1.00 0.47 O ATOM 1307 CB MET A 90 7.115 10.006 -5.579 1.00 0.37 C ATOM 1308 CG MET A 90 7.664 8.711 -5.043 1.00 0.36 C ATOM 1309 SD MET A 90 8.721 7.888 -6.250 1.00 0.65 S ATOM 1310 CE MET A 90 7.581 7.722 -7.627 1.00 0.54 C ATOM 0 H MET A 90 4.694 8.985 -4.458 1.00 0.29 H new ATOM 0 HA MET A 90 6.380 11.349 -4.052 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.755 9.838 -6.594 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.929 10.728 -5.645 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.232 8.905 -4.133 1.00 0.36 H new ATOM 0 HG3 MET A 90 6.840 8.051 -4.770 1.00 0.36 H new ATOM 0 HE1 MET A 90 7.981 7.008 -8.347 1.00 0.54 H new ATOM 0 HE2 MET A 90 6.618 7.367 -7.261 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.451 8.690 -8.110 1.00 0.54 H new ATOM 1320 N ARG A 91 5.508 12.335 -6.340 1.00 0.40 N ATOM 1321 CA ARG A 91 4.834 12.941 -7.467 1.00 0.49 C ATOM 1322 C ARG A 91 4.882 11.987 -8.654 1.00 0.58 C ATOM 1323 O ARG A 91 5.946 11.742 -9.201 1.00 0.65 O ATOM 1324 CB ARG A 91 5.504 14.278 -7.805 1.00 0.55 C ATOM 1325 CG ARG A 91 4.902 15.445 -7.041 1.00 0.67 C ATOM 1326 CD ARG A 91 5.618 16.753 -7.320 1.00 0.79 C ATOM 1327 NE ARG A 91 5.021 17.862 -6.573 1.00 1.37 N ATOM 1328 CZ ARG A 91 5.625 19.029 -6.349 1.00 1.71 C ATOM 1329 NH1 ARG A 91 6.817 19.283 -6.880 1.00 1.74 N ATOM 1330 NH2 ARG A 91 5.015 19.952 -5.614 1.00 2.59 N ATOM 0 H ARG A 91 6.352 12.825 -6.044 1.00 0.40 H new ATOM 0 HA ARG A 91 3.790 13.134 -7.221 1.00 0.49 H new ATOM 0 HB2 ARG A 91 6.569 14.213 -7.581 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.414 14.465 -8.875 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.850 15.546 -7.308 1.00 0.67 H new ATOM 0 HG3 ARG A 91 4.941 15.234 -5.972 1.00 0.67 H new ATOM 0 HD2 ARG A 91 6.670 16.657 -7.052 1.00 0.79 H new ATOM 0 HD3 ARG A 91 5.579 16.970 -8.388 1.00 0.79 H new ATOM 0 HE ARG A 91 4.081 17.733 -6.199 1.00 1.37 H new ATOM 0 HH11 ARG A 91 7.275 18.583 -7.463 1.00 1.74 H new ATOM 0 HH12 ARG A 91 7.273 20.178 -6.704 1.00 1.74 H new ATOM 0 HH21 ARG A 91 4.091 19.765 -5.225 1.00 2.59 H new ATOM 0 HH22 ARG A 91 5.471 20.847 -5.438 1.00 2.59 H new ATOM 1344 N PRO A 92 3.729 11.429 -9.050 1.00 0.67 N ATOM 1345 CA PRO A 92 3.654 10.354 -10.055 1.00 0.81 C ATOM 1346 C PRO A 92 4.388 10.660 -11.366 1.00 0.91 C ATOM 1347 O PRO A 92 4.827 9.745 -12.060 1.00 1.04 O ATOM 1348 CB PRO A 92 2.148 10.195 -10.314 1.00 0.92 C ATOM 1349 CG PRO A 92 1.493 11.368 -9.662 1.00 0.88 C ATOM 1350 CD PRO A 92 2.399 11.784 -8.542 1.00 0.72 C ATOM 0 HA PRO A 92 4.145 9.455 -9.683 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.936 10.174 -11.383 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.777 9.259 -9.897 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.355 12.182 -10.374 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.505 11.103 -9.285 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.318 12.850 -8.331 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.166 11.258 -7.616 1.00 0.72 H new ATOM 1358 N TRP A 93 4.532 11.937 -11.697 1.00 0.90 N ATOM 1359 CA TRP A 93 5.190 12.322 -12.941 1.00 1.03 C ATOM 1360 C TRP A 93 6.698 12.509 -12.758 1.00 1.03 C ATOM 1361 O TRP A 93 7.416 12.770 -13.726 1.00 1.17 O ATOM 1362 CB TRP A 93 4.558 13.598 -13.511 1.00 1.08 C ATOM 1363 CG TRP A 93 4.566 14.760 -12.559 1.00 0.98 C ATOM 1364 CD1 TRP A 93 5.494 15.759 -12.492 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.594 15.049 -11.546 1.00 0.93 C ATOM 1366 NE1 TRP A 93 5.163 16.642 -11.492 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.998 16.231 -10.902 1.00 0.94 C ATOM 1368 CE3 TRP A 93 2.422 14.421 -11.125 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 3.272 16.795 -9.854 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.700 14.981 -10.087 1.00 0.96 C ATOM 1371 CH2 TRP A 93 2.125 16.159 -9.464 1.00 0.99 C ATOM 0 H TRP A 93 4.206 12.718 -11.128 1.00 0.90 H new ATOM 0 HA TRP A 93 5.046 11.507 -13.650 1.00 1.03 H new ATOM 0 HB2 TRP A 93 5.091 13.881 -14.419 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.529 13.384 -13.799 1.00 1.08 H new ATOM 0 HD1 TRP A 93 6.361 15.843 -13.131 1.00 1.01 H new ATOM 0 HE1 TRP A 93 5.699 17.470 -11.232 1.00 0.98 H new ATOM 0 HE3 TRP A 93 2.084 13.513 -11.602 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 3.603 17.701 -9.368 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.793 14.501 -9.752 1.00 0.96 H new ATOM 0 HH2 TRP A 93 1.536 16.575 -8.660 1.00 0.99 H new ATOM 1382 N THR A 94 7.183 12.369 -11.525 1.00 0.91 N ATOM 1383 CA THR A 94 8.610 12.490 -11.242 1.00 0.95 C ATOM 1384 C THR A 94 8.939 12.028 -9.812 1.00 0.86 C ATOM 1385 O THR A 94 9.630 11.025 -9.627 1.00 1.07 O ATOM 1386 CB THR A 94 9.131 13.935 -11.493 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.525 14.024 -11.166 1.00 1.09 O ATOM 1388 CG2 THR A 94 8.351 14.979 -10.702 1.00 0.85 C ATOM 0 H THR A 94 6.607 12.172 -10.707 1.00 0.91 H new ATOM 0 HA THR A 94 9.129 11.830 -11.937 1.00 0.95 H new ATOM 0 HB THR A 94 8.985 14.147 -12.552 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.842 14.937 -11.330 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.753 15.970 -10.912 1.00 0.85 H new ATOM 0 HG22 THR A 94 7.301 14.945 -10.992 1.00 0.85 H new ATOM 0 HG23 THR A 94 8.440 14.770 -9.636 1.00 0.85 H new ATOM 1396 N GLY A 95 8.423 12.734 -8.807 1.00 0.64 N ATOM 1397 CA GLY A 95 8.694 12.373 -7.430 1.00 0.60 C ATOM 1398 C GLY A 95 10.072 12.807 -6.997 1.00 0.70 C ATOM 1399 O GLY A 95 11.062 12.134 -7.290 1.00 1.16 O ATOM 0 H GLY A 95 7.822 13.550 -8.925 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.948 12.831 -6.781 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.599 11.294 -7.312 1.00 0.60 H new ATOM 1403 N PRO A 96 10.156 13.953 -6.312 1.00 0.64 N ATOM 1404 CA PRO A 96 11.416 14.474 -5.788 1.00 0.90 C ATOM 1405 C PRO A 96 12.180 13.404 -5.014 1.00 0.98 C ATOM 1406 O PRO A 96 11.639 12.788 -4.092 1.00 1.17 O ATOM 1407 CB PRO A 96 10.970 15.610 -4.873 1.00 1.02 C ATOM 1408 CG PRO A 96 9.661 16.054 -5.421 1.00 1.20 C ATOM 1409 CD PRO A 96 9.015 14.830 -5.995 1.00 0.97 C ATOM 0 HA PRO A 96 12.100 14.802 -6.571 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.872 15.271 -3.842 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.695 16.424 -4.873 1.00 1.02 H new ATOM 0 HG2 PRO A 96 9.040 16.493 -4.640 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.798 16.818 -6.186 1.00 1.20 H new ATOM 0 HD2 PRO A 96 8.336 14.363 -5.282 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.430 15.065 -6.884 1.00 0.97 H new ATOM 1417 N SER A 97 13.438 13.202 -5.394 1.00 1.20 N ATOM 1418 CA SER A 97 14.238 12.068 -4.934 1.00 1.48 C ATOM 1419 C SER A 97 14.303 11.945 -3.408 1.00 1.31 C ATOM 1420 O SER A 97 14.435 10.840 -2.886 1.00 1.86 O ATOM 1421 CB SER A 97 15.646 12.170 -5.512 1.00 2.04 C ATOM 1422 OG SER A 97 15.600 12.316 -6.925 1.00 2.64 O ATOM 0 H SER A 97 13.935 13.823 -6.033 1.00 1.20 H new ATOM 0 HA SER A 97 13.743 11.165 -5.292 1.00 1.48 H new ATOM 0 HB2 SER A 97 16.165 13.021 -5.070 1.00 2.04 H new ATOM 0 HB3 SER A 97 16.217 11.278 -5.252 1.00 2.04 H new ATOM 0 HG SER A 97 16.512 12.381 -7.277 1.00 2.64 H new ATOM 1428 N HIS A 98 14.215 13.056 -2.689 1.00 1.20 N ATOM 1429 CA HIS A 98 14.285 12.994 -1.233 1.00 1.22 C ATOM 1430 C HIS A 98 13.128 13.749 -0.582 1.00 0.98 C ATOM 1431 O HIS A 98 13.157 14.021 0.616 1.00 1.07 O ATOM 1432 CB HIS A 98 15.638 13.520 -0.715 1.00 1.58 C ATOM 1433 CG HIS A 98 15.850 14.995 -0.884 1.00 2.34 C ATOM 1434 ND1 HIS A 98 15.561 15.914 0.103 1.00 3.02 N ATOM 1435 CD2 HIS A 98 16.336 15.711 -1.924 1.00 3.23 C ATOM 1436 CE1 HIS A 98 15.853 17.125 -0.323 1.00 3.95 C ATOM 1437 NE2 HIS A 98 16.326 17.031 -1.551 1.00 4.09 N ATOM 0 H HIS A 98 14.098 13.992 -3.078 1.00 1.20 H new ATOM 0 HA HIS A 98 14.199 11.945 -0.951 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.725 13.274 0.343 1.00 1.58 H new ATOM 0 HB3 HIS A 98 16.439 12.991 -1.232 1.00 1.58 H new ATOM 0 HD2 HIS A 98 16.670 15.316 -2.872 1.00 3.23 H new ATOM 0 HE1 HIS A 98 15.727 18.040 0.237 1.00 3.95 H new ATOM 0 HE2 HIS A 98 16.634 17.813 -2.129 1.00 4.09 H new ATOM 1446 N ASP A 99 12.101 14.074 -1.356 1.00 0.79 N ATOM 1447 CA ASP A 99 10.956 14.789 -0.801 1.00 0.79 C ATOM 1448 C ASP A 99 9.739 13.882 -0.809 1.00 0.77 C ATOM 1449 O ASP A 99 8.659 14.240 -0.340 1.00 1.35 O ATOM 1450 CB ASP A 99 10.684 16.067 -1.590 1.00 0.96 C ATOM 1451 CG ASP A 99 9.860 17.068 -0.805 1.00 1.18 C ATOM 1452 OD1 ASP A 99 10.163 17.282 0.385 1.00 1.35 O ATOM 1453 OD2 ASP A 99 8.947 17.688 -1.386 1.00 1.67 O ATOM 0 H ASP A 99 12.035 13.860 -2.351 1.00 0.79 H new ATOM 0 HA ASP A 99 11.179 15.074 0.227 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.632 16.524 -1.873 1.00 0.96 H new ATOM 0 HB3 ASP A 99 10.162 15.816 -2.514 1.00 0.96 H new ATOM 1458 N SER A 100 9.943 12.688 -1.332 1.00 0.51 N ATOM 1459 CA SER A 100 8.900 11.690 -1.415 1.00 0.45 C ATOM 1460 C SER A 100 8.976 10.749 -0.214 1.00 0.46 C ATOM 1461 O SER A 100 10.065 10.324 0.184 1.00 0.69 O ATOM 1462 CB SER A 100 9.065 10.911 -2.716 1.00 0.55 C ATOM 1463 OG SER A 100 9.110 11.793 -3.829 1.00 1.39 O ATOM 0 H SER A 100 10.840 12.384 -1.712 1.00 0.51 H new ATOM 0 HA SER A 100 7.924 12.175 -1.405 1.00 0.45 H new ATOM 0 HB2 SER A 100 9.980 10.319 -2.678 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.238 10.211 -2.834 1.00 0.55 H new ATOM 0 HG SER A 100 10.039 12.053 -4.003 1.00 1.39 H new ATOM 1469 N GLU A 101 7.825 10.429 0.361 1.00 0.35 N ATOM 1470 CA GLU A 101 7.771 9.527 1.507 1.00 0.40 C ATOM 1471 C GLU A 101 7.699 8.093 0.998 1.00 0.40 C ATOM 1472 O GLU A 101 7.694 7.866 -0.211 1.00 0.68 O ATOM 1473 CB GLU A 101 6.552 9.838 2.396 1.00 0.46 C ATOM 1474 CG GLU A 101 6.642 9.234 3.795 1.00 0.62 C ATOM 1475 CD GLU A 101 5.350 9.337 4.589 1.00 1.06 C ATOM 1476 OE1 GLU A 101 4.897 10.464 4.865 1.00 1.19 O ATOM 1477 OE2 GLU A 101 4.792 8.280 4.961 1.00 1.91 O ATOM 0 H GLU A 101 6.917 10.779 0.055 1.00 0.35 H new ATOM 0 HA GLU A 101 8.667 9.663 2.113 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.443 10.919 2.483 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.652 9.466 1.906 1.00 0.46 H new ATOM 0 HG2 GLU A 101 6.924 8.184 3.711 1.00 0.62 H new ATOM 0 HG3 GLU A 101 7.438 9.734 4.347 1.00 0.62 H new ATOM 1484 N ARG A 102 7.663 7.127 1.897 1.00 0.22 N ATOM 1485 CA ARG A 102 7.480 5.744 1.506 1.00 0.18 C ATOM 1486 C ARG A 102 6.948 4.941 2.672 1.00 0.17 C ATOM 1487 O ARG A 102 7.266 5.193 3.835 1.00 0.20 O ATOM 1488 CB ARG A 102 8.788 5.129 0.978 1.00 0.23 C ATOM 1489 CG ARG A 102 8.558 3.886 0.134 1.00 0.26 C ATOM 1490 CD ARG A 102 9.849 3.276 -0.394 1.00 0.36 C ATOM 1491 NE ARG A 102 9.588 2.353 -1.509 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.499 1.550 -2.063 1.00 0.44 C ATOM 1493 NH1 ARG A 102 11.733 1.485 -1.582 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.161 0.796 -3.102 1.00 0.52 N ATOM 0 H ARG A 102 7.758 7.275 2.902 1.00 0.22 H new ATOM 0 HA ARG A 102 6.753 5.716 0.694 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.319 5.872 0.384 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.431 4.876 1.821 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.029 3.142 0.730 1.00 0.26 H new ATOM 0 HG3 ARG A 102 7.912 4.139 -0.707 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.519 4.069 -0.725 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.357 2.744 0.410 1.00 0.36 H new ATOM 0 HE ARG A 102 8.641 2.324 -1.887 1.00 0.37 H new ATOM 0 HH11 ARG A 102 11.997 2.054 -0.778 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.418 0.866 -2.016 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.211 0.833 -3.471 1.00 0.52 H new ATOM 0 HH22 ARG A 102 10.851 0.180 -3.531 1.00 0.52 H new ATOM 1508 N PHE A 103 6.114 3.993 2.329 1.00 0.15 N ATOM 1509 CA PHE A 103 5.484 3.106 3.271 1.00 0.17 C ATOM 1510 C PHE A 103 6.174 1.757 3.221 1.00 0.18 C ATOM 1511 O PHE A 103 6.690 1.373 2.175 1.00 0.21 O ATOM 1512 CB PHE A 103 3.998 2.978 2.910 1.00 0.18 C ATOM 1513 CG PHE A 103 3.416 1.650 3.249 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.474 0.613 2.338 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.846 1.431 4.482 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.971 -0.621 2.652 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.344 0.197 4.806 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.407 -0.829 3.888 1.00 0.86 C ATOM 0 H PHE A 103 5.848 3.813 1.361 1.00 0.15 H new ATOM 0 HA PHE A 103 5.567 3.498 4.285 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.438 3.755 3.430 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.875 3.158 1.842 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.921 0.777 1.368 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.794 2.237 5.199 1.00 0.55 H new ATOM 0 HE1 PHE A 103 3.017 -1.426 1.933 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.901 0.030 5.777 1.00 0.78 H new ATOM 0 HZ PHE A 103 2.011 -1.801 4.141 1.00 0.86 H new ATOM 1528 N THR A 104 6.177 1.038 4.334 1.00 0.17 N ATOM 1529 CA THR A 104 6.821 -0.251 4.380 1.00 0.19 C ATOM 1530 C THR A 104 6.183 -1.138 5.439 1.00 0.17 C ATOM 1531 O THR A 104 6.430 -0.966 6.634 1.00 0.18 O ATOM 1532 CB THR A 104 8.326 -0.107 4.697 1.00 0.24 C ATOM 1533 OG1 THR A 104 8.976 0.709 3.713 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.999 -1.467 4.761 1.00 0.26 C ATOM 0 H THR A 104 5.741 1.330 5.209 1.00 0.17 H new ATOM 0 HA THR A 104 6.699 -0.708 3.398 1.00 0.19 H new ATOM 0 HB THR A 104 8.415 0.374 5.671 1.00 0.24 H new ATOM 0 HG1 THR A 104 9.928 0.790 3.932 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.058 -1.339 4.985 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.533 -2.067 5.542 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.890 -1.972 3.801 1.00 0.26 H new ATOM 1542 N VAL A 105 5.355 -2.079 5.019 1.00 0.17 N ATOM 1543 CA VAL A 105 4.940 -3.122 5.926 1.00 0.17 C ATOM 1544 C VAL A 105 5.669 -4.409 5.582 1.00 0.21 C ATOM 1545 O VAL A 105 5.827 -4.765 4.410 1.00 0.25 O ATOM 1546 CB VAL A 105 3.413 -3.361 5.930 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.941 -3.895 4.596 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.021 -4.311 7.052 1.00 0.88 C ATOM 0 H VAL A 105 4.967 -2.139 4.078 1.00 0.17 H new ATOM 0 HA VAL A 105 5.200 -2.792 6.932 1.00 0.17 H new ATOM 0 HB VAL A 105 2.925 -2.401 6.102 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.863 -4.054 4.628 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.179 -3.176 3.812 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.441 -4.841 4.385 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.942 -4.466 7.037 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.527 -5.267 6.913 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.313 -3.882 8.011 1.00 0.88 H new ATOM 1558 N TYR A 106 6.141 -5.075 6.606 1.00 0.24 N ATOM 1559 CA TYR A 106 6.776 -6.362 6.449 1.00 0.28 C ATOM 1560 C TYR A 106 5.816 -7.435 6.907 1.00 0.27 C ATOM 1561 O TYR A 106 5.615 -7.629 8.101 1.00 0.36 O ATOM 1562 CB TYR A 106 8.056 -6.445 7.275 1.00 0.38 C ATOM 1563 CG TYR A 106 9.184 -5.558 6.798 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.885 -5.857 5.637 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.563 -4.434 7.521 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.931 -5.062 5.210 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.607 -3.633 7.099 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.289 -3.951 5.945 1.00 0.58 C ATOM 1569 OH TYR A 106 12.332 -3.156 5.525 1.00 0.70 O ATOM 0 H TYR A 106 6.097 -4.743 7.569 1.00 0.24 H new ATOM 0 HA TYR A 106 7.036 -6.502 5.400 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.822 -6.185 8.307 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.403 -7.478 7.277 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.608 -6.726 5.058 1.00 0.48 H new ATOM 0 HD2 TYR A 106 9.033 -4.182 8.428 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.466 -5.309 4.305 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.887 -2.761 7.672 1.00 0.57 H new ATOM 0 HH TYR A 106 12.453 -2.415 6.155 1.00 0.70 H new ATOM 1579 N LEU A 107 5.215 -8.116 5.962 1.00 0.26 N ATOM 1580 CA LEU A 107 4.224 -9.118 6.278 1.00 0.29 C ATOM 1581 C LEU A 107 4.583 -10.432 5.606 1.00 0.31 C ATOM 1582 O LEU A 107 5.244 -10.443 4.579 1.00 0.45 O ATOM 1583 CB LEU A 107 2.844 -8.624 5.836 1.00 0.39 C ATOM 1584 CG LEU A 107 2.627 -8.535 4.321 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.945 -9.788 3.793 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.817 -7.305 3.972 1.00 2.02 C ATOM 0 H LEU A 107 5.395 -7.995 4.965 1.00 0.26 H new ATOM 0 HA LEU A 107 4.200 -9.289 7.354 1.00 0.29 H new ATOM 0 HB2 LEU A 107 2.088 -9.289 6.255 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.675 -7.638 6.268 1.00 0.39 H new ATOM 0 HG LEU A 107 3.604 -8.455 3.845 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.803 -9.699 2.716 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.566 -10.658 4.006 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.976 -9.907 4.278 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.673 -7.258 2.893 1.00 2.02 H new ATOM 0 HD22 LEU A 107 0.847 -7.356 4.466 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.347 -6.413 4.306 1.00 2.02 H new ATOM 1598 N LYS A 108 4.164 -11.536 6.183 1.00 0.25 N ATOM 1599 CA LYS A 108 4.443 -12.833 5.592 1.00 0.26 C ATOM 1600 C LYS A 108 3.190 -13.390 4.941 1.00 0.24 C ATOM 1601 O LYS A 108 2.261 -13.780 5.645 1.00 0.29 O ATOM 1602 CB LYS A 108 4.931 -13.812 6.649 1.00 0.32 C ATOM 1603 CG LYS A 108 5.420 -15.118 6.059 1.00 0.45 C ATOM 1604 CD LYS A 108 6.912 -15.095 5.804 1.00 0.76 C ATOM 1605 CE LYS A 108 7.391 -16.407 5.204 1.00 1.34 C ATOM 1606 NZ LYS A 108 8.859 -16.411 4.978 1.00 1.89 N ATOM 0 H LYS A 108 3.633 -11.566 7.053 1.00 0.25 H new ATOM 0 HA LYS A 108 5.221 -12.702 4.840 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.738 -13.352 7.219 1.00 0.32 H new ATOM 0 HB3 LYS A 108 4.122 -14.016 7.350 1.00 0.32 H new ATOM 0 HG2 LYS A 108 5.180 -15.936 6.738 1.00 0.45 H new ATOM 0 HG3 LYS A 108 4.894 -15.314 5.125 1.00 0.45 H new ATOM 0 HD2 LYS A 108 7.155 -14.274 5.129 1.00 0.76 H new ATOM 0 HD3 LYS A 108 7.440 -14.906 6.739 1.00 0.76 H new ATOM 0 HE2 LYS A 108 7.124 -17.229 5.869 1.00 1.34 H new ATOM 0 HE3 LYS A 108 6.878 -16.582 4.258 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 9.094 -17.097 4.233 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 9.168 -15.462 4.685 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 9.345 -16.676 5.858 1.00 1.89 H new ATOM 1620 N ALA A 109 3.186 -13.469 3.614 1.00 0.24 N ATOM 1621 CA ALA A 109 1.997 -13.879 2.876 1.00 0.28 C ATOM 1622 C ALA A 109 2.144 -15.312 2.404 1.00 0.34 C ATOM 1623 O ALA A 109 3.086 -15.636 1.694 1.00 0.53 O ATOM 1624 CB ALA A 109 1.749 -12.946 1.693 1.00 0.37 C ATOM 0 H ALA A 109 3.993 -13.254 3.028 1.00 0.24 H new ATOM 0 HA ALA A 109 1.136 -13.818 3.542 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.858 -13.269 1.155 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.605 -11.928 2.056 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.607 -12.974 1.022 1.00 0.37 H new ATOM 1630 N ASN A 110 1.210 -16.168 2.790 1.00 0.41 N ATOM 1631 CA ASN A 110 1.364 -17.603 2.553 1.00 0.54 C ATOM 1632 C ASN A 110 0.043 -18.223 2.146 1.00 0.95 C ATOM 1633 O ASN A 110 -0.741 -18.591 3.050 1.00 1.35 O ATOM 1634 CB ASN A 110 1.875 -18.331 3.807 1.00 0.56 C ATOM 1635 CG ASN A 110 3.061 -17.657 4.465 1.00 0.80 C ATOM 1636 OD1 ASN A 110 4.212 -17.928 4.131 1.00 1.58 O ATOM 1637 ND2 ASN A 110 2.783 -16.781 5.419 1.00 0.56 N ATOM 1638 OXT ASN A 110 -0.206 -18.354 0.933 1.00 1.78 O ATOM 0 H ASN A 110 0.346 -15.903 3.263 1.00 0.41 H new ATOM 0 HA ASN A 110 2.094 -17.714 1.751 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.063 -18.403 4.530 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.152 -19.350 3.537 1.00 0.56 H new ATOM 0 HD21 ASN A 110 3.539 -16.302 5.908 1.00 0.56 H new ATOM 0 HD22 ASN A 110 1.813 -16.586 5.665 1.00 0.56 H new TER 1645 ASN A 110