USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 88 ASN : amide:sc= -0.527 K(o=-1.8,f=-0.64) USER MOD Set 1.2: A 101 GLN : amide:sc= -1.26 K(o=-1.8,f=-0.5) USER MOD Set 2.1: A 20 CYS SG : rot 180:sc= 0.591 USER MOD Set 2.2: A 53 CYS SG : rot -171:sc= 0.189 USER MOD Set 3.1: A 42 ASN : amide:sc= 0.878 K(o=1.8,f=-5.5!) USER MOD Set 3.2: A 45 LYS NZ :NH3+ 148:sc= 0.961 (180deg=0.405) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.825 K(o=2.2,f=-3.7) USER MOD Set 4.2: A 54 LYS NZ :NH3+ 163:sc= 1.37 (180deg=1.02) USER MOD Set 5.1: A 16 ASN : amide:sc= -0.616 K(o=3.6,f=1.3) USER MOD Set 5.2: A 18 ASN : amide:sc= 0.236 X(o=3.6,f=3.6) USER MOD Set 5.3: A 56 SER OG : rot 79:sc= 0.672 USER MOD Set 5.4: A 58 THR OG1 : rot 72:sc= 1.88 USER MOD Set 5.5: A 79 TYR OH : rot 148:sc= 1.47 USER MOD Set 6.1: A 9 SER OG : rot 139:sc= 0.0261 USER MOD Set 6.2: A 30 THR OG1 : rot -170:sc= 0.0247 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1 (180deg=-0.423!) USER MOD Single : A 2 HIS : no HD1:sc= 0.708 K(o=0.71,f=-2.5!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0.0089) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 68:sc= 0.56 USER MOD Single : A 27 TYR OH : rot -69:sc= 0.0732 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 82:sc= 0.34 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 86:sc= 0.121 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= 1.1 (180deg=-0.0858) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 SER OG : rot 180:sc= -0.175 USER MOD Single : A 61 THR OG1 : rot -170:sc= 0.264 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0174) USER MOD Single : A 70 LYS NZ :NH3+ -111:sc= 0.822 (180deg=-0.755) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00182 USER MOD Single : A 97 THR OG1 : rot 76:sc= 1.48 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.631 26.105 -2.397 1.00 43.10 N ATOM 2 CA MET A 1 -15.002 25.806 -1.004 1.00 71.24 C ATOM 3 C MET A 1 -15.581 24.375 -0.913 1.00 35.12 C ATOM 4 O MET A 1 -16.741 24.124 -1.255 1.00 12.14 O ATOM 5 CB MET A 1 -15.976 26.890 -0.436 1.00 43.10 C ATOM 6 CG MET A 1 -17.258 27.156 -1.257 1.00 32.25 C ATOM 7 SD MET A 1 -16.935 27.809 -2.915 1.00 4.13 S ATOM 8 CE MET A 1 -18.601 27.958 -3.570 1.00 71.21 C ATOM 0 H1 MET A 1 -13.855 26.797 -2.409 1.00 43.10 H new ATOM 0 H2 MET A 1 -14.322 25.231 -2.869 1.00 43.10 H new ATOM 0 H3 MET A 1 -15.453 26.498 -2.899 1.00 43.10 H new ATOM 0 HA MET A 1 -14.111 25.841 -0.377 1.00 71.24 H new ATOM 0 HB2 MET A 1 -16.270 26.592 0.570 1.00 43.10 H new ATOM 0 HB3 MET A 1 -15.428 27.828 -0.344 1.00 43.10 H new ATOM 0 HG2 MET A 1 -17.822 26.228 -1.345 1.00 32.25 H new ATOM 0 HG3 MET A 1 -17.887 27.861 -0.714 1.00 32.25 H new ATOM 0 HE1 MET A 1 -18.559 28.349 -4.587 1.00 71.21 H new ATOM 0 HE2 MET A 1 -19.078 26.978 -3.578 1.00 71.21 H new ATOM 0 HE3 MET A 1 -19.179 28.638 -2.944 1.00 71.21 H new ATOM 20 N HIS A 2 -14.723 23.428 -0.499 1.00 31.52 N ATOM 21 CA HIS A 2 -15.100 22.017 -0.324 1.00 51.10 C ATOM 22 C HIS A 2 -15.649 21.808 1.098 1.00 14.41 C ATOM 23 O HIS A 2 -14.922 21.987 2.078 1.00 41.04 O ATOM 24 CB HIS A 2 -13.880 21.103 -0.588 1.00 11.43 C ATOM 25 CG HIS A 2 -14.194 19.628 -0.571 1.00 41.54 C ATOM 26 ND1 HIS A 2 -13.619 18.742 0.312 1.00 63.23 N ATOM 27 CD2 HIS A 2 -15.010 18.886 -1.355 1.00 25.33 C ATOM 28 CE1 HIS A 2 -14.066 17.530 0.066 1.00 55.34 C ATOM 29 NE2 HIS A 2 -14.909 17.590 -0.940 1.00 2.24 N ATOM 0 H HIS A 2 -13.746 23.621 -0.276 1.00 31.52 H new ATOM 0 HA HIS A 2 -15.878 21.754 -1.041 1.00 51.10 H new ATOM 0 HB2 HIS A 2 -13.451 21.360 -1.557 1.00 11.43 H new ATOM 0 HB3 HIS A 2 -13.117 21.309 0.163 1.00 11.43 H new ATOM 0 HD2 HIS A 2 -15.628 19.252 -2.161 1.00 25.33 H new ATOM 0 HE1 HIS A 2 -13.787 16.635 0.602 1.00 55.34 H new ATOM 0 HE2 HIS A 2 -15.407 16.797 -1.345 1.00 2.24 H new ATOM 38 N HIS A 3 -16.940 21.443 1.196 1.00 11.23 N ATOM 39 CA HIS A 3 -17.652 21.287 2.488 1.00 12.15 C ATOM 40 C HIS A 3 -17.642 19.827 2.965 1.00 25.45 C ATOM 41 O HIS A 3 -18.703 19.218 3.182 1.00 65.23 O ATOM 42 CB HIS A 3 -19.099 21.838 2.371 1.00 51.23 C ATOM 43 CG HIS A 3 -19.173 23.336 2.278 1.00 5.25 C ATOM 44 ND1 HIS A 3 -19.666 24.127 3.293 1.00 2.53 N ATOM 45 CD2 HIS A 3 -18.804 24.184 1.291 1.00 54.24 C ATOM 46 CE1 HIS A 3 -19.594 25.391 2.936 1.00 5.01 C ATOM 47 NE2 HIS A 3 -19.075 25.450 1.729 1.00 51.44 N ATOM 0 H HIS A 3 -17.524 21.246 0.383 1.00 11.23 H new ATOM 0 HA HIS A 3 -17.123 21.869 3.243 1.00 12.15 H new ATOM 0 HB2 HIS A 3 -19.572 21.405 1.490 1.00 51.23 H new ATOM 0 HB3 HIS A 3 -19.674 21.508 3.236 1.00 51.23 H new ATOM 0 HD2 HIS A 3 -18.376 23.912 0.337 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -19.907 26.235 3.532 1.00 5.01 H new ATOM 0 HE2 HIS A 3 -18.902 26.306 1.202 1.00 51.44 H new ATOM 56 N HIS A 4 -16.411 19.284 3.120 1.00 60.33 N ATOM 57 CA HIS A 4 -16.156 17.910 3.621 1.00 52.00 C ATOM 58 C HIS A 4 -16.930 16.837 2.824 1.00 24.40 C ATOM 59 O HIS A 4 -17.244 15.770 3.359 1.00 11.52 O ATOM 60 CB HIS A 4 -16.460 17.827 5.150 1.00 63.03 C ATOM 61 CG HIS A 4 -15.575 18.705 6.007 1.00 52.42 C ATOM 62 ND1 HIS A 4 -15.810 20.050 6.202 1.00 14.33 N ATOM 63 CD2 HIS A 4 -14.457 18.421 6.725 1.00 45.34 C ATOM 64 CE1 HIS A 4 -14.885 20.550 6.996 1.00 45.12 C ATOM 65 NE2 HIS A 4 -14.055 19.585 7.329 1.00 41.01 N ATOM 0 H HIS A 4 -15.556 19.793 2.898 1.00 60.33 H new ATOM 0 HA HIS A 4 -15.099 17.694 3.468 1.00 52.00 H new ATOM 0 HB2 HIS A 4 -17.500 18.105 5.318 1.00 63.03 H new ATOM 0 HB3 HIS A 4 -16.350 16.792 5.475 1.00 63.03 H new ATOM 0 HD2 HIS A 4 -13.975 17.458 6.805 1.00 45.34 H new ATOM 0 HE1 HIS A 4 -14.819 21.578 7.319 1.00 45.12 H new ATOM 0 HE2 HIS A 4 -13.243 19.686 7.938 1.00 41.01 H new ATOM 74 N HIS A 5 -17.214 17.126 1.533 1.00 70.54 N ATOM 75 CA HIS A 5 -17.912 16.191 0.629 1.00 60.51 C ATOM 76 C HIS A 5 -16.931 15.070 0.223 1.00 65.31 C ATOM 77 O HIS A 5 -16.264 15.145 -0.810 1.00 75.31 O ATOM 78 CB HIS A 5 -18.478 16.955 -0.603 1.00 72.31 C ATOM 79 CG HIS A 5 -19.304 16.109 -1.548 1.00 65.11 C ATOM 80 ND1 HIS A 5 -18.751 15.375 -2.575 1.00 22.31 N ATOM 81 CD2 HIS A 5 -20.647 15.933 -1.650 1.00 23.22 C ATOM 82 CE1 HIS A 5 -19.706 14.779 -3.256 1.00 3.15 C ATOM 83 NE2 HIS A 5 -20.860 15.102 -2.719 1.00 33.32 N ATOM 0 H HIS A 5 -16.965 18.012 1.093 1.00 70.54 H new ATOM 0 HA HIS A 5 -18.763 15.735 1.135 1.00 60.51 H new ATOM 0 HB2 HIS A 5 -19.091 17.784 -0.249 1.00 72.31 H new ATOM 0 HB3 HIS A 5 -17.646 17.388 -1.158 1.00 72.31 H new ATOM 0 HD2 HIS A 5 -21.403 16.365 -1.011 1.00 23.22 H new ATOM 0 HE1 HIS A 5 -19.565 14.134 -4.111 1.00 3.15 H new ATOM 0 HE2 HIS A 5 -21.772 14.784 -3.046 1.00 33.32 H new ATOM 92 N HIS A 6 -16.823 14.069 1.100 1.00 65.32 N ATOM 93 CA HIS A 6 -15.826 12.990 1.016 1.00 23.03 C ATOM 94 C HIS A 6 -16.553 11.640 0.993 1.00 2.43 C ATOM 95 O HIS A 6 -17.189 11.255 1.984 1.00 63.53 O ATOM 96 CB HIS A 6 -14.876 13.101 2.241 1.00 61.23 C ATOM 97 CG HIS A 6 -13.770 12.068 2.335 1.00 22.20 C ATOM 98 ND1 HIS A 6 -12.473 12.315 1.937 1.00 74.35 N ATOM 99 CD2 HIS A 6 -13.755 10.814 2.865 1.00 5.12 C ATOM 100 CE1 HIS A 6 -11.718 11.274 2.222 1.00 52.22 C ATOM 101 NE2 HIS A 6 -12.468 10.353 2.782 1.00 13.42 N ATOM 0 H HIS A 6 -17.439 13.981 1.908 1.00 65.32 H new ATOM 0 HA HIS A 6 -15.233 13.073 0.105 1.00 23.03 H new ATOM 0 HB2 HIS A 6 -14.419 14.090 2.230 1.00 61.23 H new ATOM 0 HB3 HIS A 6 -15.479 13.039 3.147 1.00 61.23 H new ATOM 0 HD2 HIS A 6 -14.601 10.282 3.275 1.00 5.12 H new ATOM 0 HE1 HIS A 6 -10.659 11.192 2.028 1.00 52.22 H new ATOM 0 HE2 HIS A 6 -12.144 9.441 3.104 1.00 13.42 H new ATOM 110 N HIS A 7 -16.487 10.956 -0.155 1.00 42.53 N ATOM 111 CA HIS A 7 -17.014 9.594 -0.302 1.00 14.41 C ATOM 112 C HIS A 7 -16.041 8.606 0.367 1.00 43.33 C ATOM 113 O HIS A 7 -14.998 8.290 -0.218 1.00 14.15 O ATOM 114 CB HIS A 7 -17.185 9.221 -1.802 1.00 5.23 C ATOM 115 CG HIS A 7 -18.039 10.169 -2.608 1.00 32.41 C ATOM 116 ND1 HIS A 7 -17.594 10.774 -3.764 1.00 12.22 N ATOM 117 CD2 HIS A 7 -19.318 10.581 -2.447 1.00 20.11 C ATOM 118 CE1 HIS A 7 -18.555 11.511 -4.269 1.00 12.21 C ATOM 119 NE2 HIS A 7 -19.607 11.409 -3.492 1.00 53.53 N ATOM 0 H HIS A 7 -16.068 11.330 -1.006 1.00 42.53 H new ATOM 0 HA HIS A 7 -17.993 9.543 0.175 1.00 14.41 H new ATOM 0 HB2 HIS A 7 -16.198 9.167 -2.261 1.00 5.23 H new ATOM 0 HB3 HIS A 7 -17.620 8.224 -1.864 1.00 5.23 H new ATOM 0 HD2 HIS A 7 -19.984 10.306 -1.643 1.00 20.11 H new ATOM 0 HE1 HIS A 7 -18.491 12.101 -5.171 1.00 12.21 H new ATOM 0 HE2 HIS A 7 -20.501 11.876 -3.645 1.00 53.53 H new ATOM 128 N ARG A 8 -16.353 8.175 1.609 1.00 3.41 N ATOM 129 CA ARG A 8 -15.536 7.170 2.319 1.00 55.31 C ATOM 130 C ARG A 8 -15.511 5.865 1.503 1.00 41.21 C ATOM 131 O ARG A 8 -16.538 5.181 1.369 1.00 22.34 O ATOM 132 CB ARG A 8 -16.055 6.882 3.756 1.00 20.41 C ATOM 133 CG ARG A 8 -15.247 5.778 4.490 1.00 13.53 C ATOM 134 CD ARG A 8 -15.826 5.378 5.854 1.00 0.22 C ATOM 135 NE ARG A 8 -15.050 4.269 6.453 1.00 74.15 N ATOM 136 CZ ARG A 8 -15.102 3.868 7.733 1.00 52.12 C ATOM 137 NH1 ARG A 8 -15.911 4.465 8.608 1.00 1.50 N ATOM 138 NH2 ARG A 8 -14.308 2.882 8.145 1.00 72.13 N ATOM 0 H ARG A 8 -17.160 8.506 2.137 1.00 3.41 H new ATOM 0 HA ARG A 8 -14.530 7.577 2.419 1.00 55.31 H new ATOM 0 HB2 ARG A 8 -16.015 7.801 4.340 1.00 20.41 H new ATOM 0 HB3 ARG A 8 -17.102 6.583 3.704 1.00 20.41 H new ATOM 0 HG2 ARG A 8 -15.200 4.894 3.854 1.00 13.53 H new ATOM 0 HG3 ARG A 8 -14.223 6.125 4.630 1.00 13.53 H new ATOM 0 HD2 ARG A 8 -15.816 6.238 6.524 1.00 0.22 H new ATOM 0 HD3 ARG A 8 -16.867 5.077 5.737 1.00 0.22 H new ATOM 0 HE ARG A 8 -14.416 3.762 5.835 1.00 74.15 H new ATOM 0 HH11 ARG A 8 -16.503 5.240 8.309 1.00 1.50 H new ATOM 0 HH12 ARG A 8 -15.938 4.147 9.577 1.00 1.50 H new ATOM 0 HH21 ARG A 8 -13.666 2.437 7.490 1.00 72.13 H new ATOM 0 HH22 ARG A 8 -14.342 2.572 9.116 1.00 72.13 H new ATOM 152 N SER A 9 -14.339 5.558 0.949 1.00 25.30 N ATOM 153 CA SER A 9 -14.144 4.395 0.090 1.00 70.13 C ATOM 154 C SER A 9 -14.107 3.102 0.928 1.00 31.31 C ATOM 155 O SER A 9 -13.100 2.798 1.587 1.00 11.40 O ATOM 156 CB SER A 9 -12.854 4.580 -0.737 1.00 43.31 C ATOM 157 OG SER A 9 -12.903 5.796 -1.474 1.00 62.33 O ATOM 0 H SER A 9 -13.494 6.113 1.085 1.00 25.30 H new ATOM 0 HA SER A 9 -14.983 4.305 -0.600 1.00 70.13 H new ATOM 0 HB2 SER A 9 -11.988 4.584 -0.075 1.00 43.31 H new ATOM 0 HB3 SER A 9 -12.729 3.739 -1.419 1.00 43.31 H new ATOM 0 HG SER A 9 -12.027 6.234 -1.441 1.00 62.33 H new ATOM 163 N GLY A 10 -15.256 2.392 0.952 1.00 41.32 N ATOM 164 CA GLY A 10 -15.320 1.018 1.464 1.00 64.24 C ATOM 165 C GLY A 10 -14.566 0.047 0.559 1.00 63.11 C ATOM 166 O GLY A 10 -14.186 -1.047 0.980 1.00 10.12 O ATOM 0 H GLY A 10 -16.150 2.754 0.621 1.00 41.32 H new ATOM 0 HA2 GLY A 10 -14.898 0.983 2.468 1.00 64.24 H new ATOM 0 HA3 GLY A 10 -16.362 0.707 1.545 1.00 64.24 H new ATOM 170 N ASP A 11 -14.391 0.466 -0.709 1.00 64.41 N ATOM 171 CA ASP A 11 -13.459 -0.147 -1.670 1.00 4.32 C ATOM 172 C ASP A 11 -12.004 0.087 -1.213 1.00 61.50 C ATOM 173 O ASP A 11 -11.744 0.951 -0.359 1.00 73.01 O ATOM 174 CB ASP A 11 -13.669 0.446 -3.093 1.00 44.52 C ATOM 175 CG ASP A 11 -15.112 0.302 -3.601 1.00 44.44 C ATOM 176 OD1 ASP A 11 -15.939 1.193 -3.321 1.00 23.13 O ATOM 177 OD2 ASP A 11 -15.435 -0.697 -4.273 1.00 73.24 O ATOM 0 H ASP A 11 -14.905 1.256 -1.100 1.00 64.41 H new ATOM 0 HA ASP A 11 -13.657 -1.218 -1.709 1.00 4.32 H new ATOM 0 HB2 ASP A 11 -13.397 1.502 -3.084 1.00 44.52 H new ATOM 0 HB3 ASP A 11 -12.994 -0.051 -3.790 1.00 44.52 H new ATOM 182 N ILE A 12 -11.064 -0.663 -1.807 1.00 74.22 N ATOM 183 CA ILE A 12 -9.646 -0.638 -1.409 1.00 11.53 C ATOM 184 C ILE A 12 -9.037 0.749 -1.749 1.00 12.22 C ATOM 185 O ILE A 12 -8.739 1.036 -2.912 1.00 45.54 O ATOM 186 CB ILE A 12 -8.834 -1.759 -2.174 1.00 53.13 C ATOM 187 CG1 ILE A 12 -9.604 -3.116 -2.214 1.00 34.23 C ATOM 188 CG2 ILE A 12 -7.434 -1.955 -1.554 1.00 13.52 C ATOM 189 CD1 ILE A 12 -9.027 -4.141 -3.192 1.00 1.13 C ATOM 0 H ILE A 12 -11.263 -1.303 -2.576 1.00 74.22 H new ATOM 0 HA ILE A 12 -9.583 -0.823 -0.337 1.00 11.53 H new ATOM 0 HB ILE A 12 -8.715 -1.415 -3.201 1.00 53.13 H new ATOM 0 HG12 ILE A 12 -9.607 -3.548 -1.213 1.00 34.23 H new ATOM 0 HG13 ILE A 12 -10.643 -2.923 -2.480 1.00 34.23 H new ATOM 0 HG21 ILE A 12 -6.899 -2.732 -2.101 1.00 13.52 H new ATOM 0 HG22 ILE A 12 -6.876 -1.020 -1.613 1.00 13.52 H new ATOM 0 HG23 ILE A 12 -7.537 -2.251 -0.510 1.00 13.52 H new ATOM 0 HD11 ILE A 12 -9.622 -5.054 -3.156 1.00 1.13 H new ATOM 0 HD12 ILE A 12 -9.050 -3.733 -4.202 1.00 1.13 H new ATOM 0 HD13 ILE A 12 -7.997 -4.368 -2.916 1.00 1.13 H new ATOM 201 N GLN A 13 -8.882 1.617 -0.740 1.00 22.00 N ATOM 202 CA GLN A 13 -8.313 2.965 -0.932 1.00 41.13 C ATOM 203 C GLN A 13 -6.874 3.010 -0.412 1.00 42.51 C ATOM 204 O GLN A 13 -6.604 2.676 0.746 1.00 0.14 O ATOM 205 CB GLN A 13 -9.175 4.047 -0.232 1.00 53.33 C ATOM 206 CG GLN A 13 -8.681 5.496 -0.478 1.00 41.21 C ATOM 207 CD GLN A 13 -9.549 6.588 0.155 1.00 71.43 C ATOM 208 OE1 GLN A 13 -10.186 6.386 1.189 1.00 60.35 O ATOM 209 NE2 GLN A 13 -9.565 7.763 -0.460 1.00 61.12 N ATOM 0 H GLN A 13 -9.143 1.411 0.224 1.00 22.00 H new ATOM 0 HA GLN A 13 -8.311 3.181 -2.000 1.00 41.13 H new ATOM 0 HB2 GLN A 13 -10.204 3.960 -0.580 1.00 53.33 H new ATOM 0 HB3 GLN A 13 -9.184 3.853 0.841 1.00 53.33 H new ATOM 0 HG2 GLN A 13 -7.666 5.589 -0.092 1.00 41.21 H new ATOM 0 HG3 GLN A 13 -8.630 5.670 -1.553 1.00 41.21 H new ATOM 0 HE21 GLN A 13 -9.026 7.898 -1.315 1.00 61.12 H new ATOM 0 HE22 GLN A 13 -10.116 8.531 -0.078 1.00 61.12 H new ATOM 218 N VAL A 14 -5.964 3.417 -1.298 1.00 22.35 N ATOM 219 CA VAL A 14 -4.549 3.603 -1.002 1.00 63.33 C ATOM 220 C VAL A 14 -4.274 5.096 -0.753 1.00 1.52 C ATOM 221 O VAL A 14 -4.371 5.897 -1.679 1.00 4.11 O ATOM 222 CB VAL A 14 -3.675 3.108 -2.213 1.00 63.41 C ATOM 223 CG1 VAL A 14 -2.171 3.301 -1.938 1.00 64.40 C ATOM 224 CG2 VAL A 14 -4.001 1.639 -2.572 1.00 31.44 C ATOM 0 H VAL A 14 -6.201 3.631 -2.267 1.00 22.35 H new ATOM 0 HA VAL A 14 -4.290 3.025 -0.115 1.00 63.33 H new ATOM 0 HB VAL A 14 -3.928 3.723 -3.077 1.00 63.41 H new ATOM 0 HG11 VAL A 14 -1.596 2.949 -2.795 1.00 64.40 H new ATOM 0 HG12 VAL A 14 -1.964 4.358 -1.772 1.00 64.40 H new ATOM 0 HG13 VAL A 14 -1.887 2.733 -1.052 1.00 64.40 H new ATOM 0 HG21 VAL A 14 -3.382 1.324 -3.412 1.00 31.44 H new ATOM 0 HG22 VAL A 14 -3.798 1.001 -1.712 1.00 31.44 H new ATOM 0 HG23 VAL A 14 -5.053 1.556 -2.845 1.00 31.44 H new ATOM 234 N GLN A 15 -3.985 5.469 0.496 1.00 73.30 N ATOM 235 CA GLN A 15 -3.508 6.818 0.837 1.00 51.14 C ATOM 236 C GLN A 15 -1.990 6.759 1.049 1.00 43.41 C ATOM 237 O GLN A 15 -1.530 6.219 2.052 1.00 71.45 O ATOM 238 CB GLN A 15 -4.210 7.341 2.125 1.00 34.14 C ATOM 239 CG GLN A 15 -5.746 7.443 2.033 1.00 24.41 C ATOM 240 CD GLN A 15 -6.383 7.987 3.317 1.00 64.43 C ATOM 241 OE1 GLN A 15 -6.735 7.227 4.221 1.00 33.11 O ATOM 242 NE2 GLN A 15 -6.514 9.304 3.419 1.00 52.34 N ATOM 0 H GLN A 15 -4.074 4.848 1.300 1.00 73.30 H new ATOM 0 HA GLN A 15 -3.746 7.505 0.024 1.00 51.14 H new ATOM 0 HB2 GLN A 15 -3.953 6.681 2.954 1.00 34.14 H new ATOM 0 HB3 GLN A 15 -3.809 8.326 2.365 1.00 34.14 H new ATOM 0 HG2 GLN A 15 -6.013 8.090 1.198 1.00 24.41 H new ATOM 0 HG3 GLN A 15 -6.159 6.458 1.817 1.00 24.41 H new ATOM 0 HE21 GLN A 15 -6.213 9.907 2.653 1.00 52.34 H new ATOM 0 HE22 GLN A 15 -6.915 9.713 4.263 1.00 52.34 H new ATOM 251 N ASN A 16 -1.216 7.306 0.106 1.00 44.54 N ATOM 252 CA ASN A 16 0.253 7.391 0.219 1.00 22.14 C ATOM 253 C ASN A 16 0.609 8.819 0.618 1.00 62.01 C ATOM 254 O ASN A 16 0.140 9.767 -0.007 1.00 54.03 O ATOM 255 CB ASN A 16 0.947 7.012 -1.120 1.00 60.52 C ATOM 256 CG ASN A 16 2.444 7.377 -1.160 1.00 74.32 C ATOM 257 OD1 ASN A 16 2.814 8.467 -1.572 1.00 54.35 O ATOM 258 ND2 ASN A 16 3.307 6.477 -0.737 1.00 64.13 N ATOM 0 H ASN A 16 -1.585 7.703 -0.758 1.00 44.54 H new ATOM 0 HA ASN A 16 0.604 6.684 0.971 1.00 22.14 H new ATOM 0 HB2 ASN A 16 0.838 5.940 -1.286 1.00 60.52 H new ATOM 0 HB3 ASN A 16 0.436 7.516 -1.941 1.00 60.52 H new ATOM 0 HD21 ASN A 16 4.306 6.683 -0.749 1.00 64.13 H new ATOM 0 HD22 ASN A 16 2.977 5.574 -0.397 1.00 64.13 H new ATOM 265 N ASN A 17 1.437 8.953 1.654 1.00 2.31 N ATOM 266 CA ASN A 17 1.840 10.239 2.221 1.00 43.24 C ATOM 267 C ASN A 17 3.356 10.358 2.118 1.00 62.24 C ATOM 268 O ASN A 17 4.069 9.593 2.761 1.00 4.34 O ATOM 269 CB ASN A 17 1.384 10.330 3.704 1.00 14.45 C ATOM 270 CG ASN A 17 1.678 11.685 4.353 1.00 44.35 C ATOM 271 OD1 ASN A 17 0.854 12.599 4.306 1.00 72.31 O ATOM 272 ND2 ASN A 17 2.851 11.826 4.963 1.00 62.11 N ATOM 0 H ASN A 17 1.854 8.154 2.132 1.00 2.31 H new ATOM 0 HA ASN A 17 1.372 11.056 1.672 1.00 43.24 H new ATOM 0 HB2 ASN A 17 0.313 10.135 3.759 1.00 14.45 H new ATOM 0 HB3 ASN A 17 1.880 9.547 4.277 1.00 14.45 H new ATOM 0 HD21 ASN A 17 3.090 12.711 5.410 1.00 62.11 H new ATOM 0 HD22 ASN A 17 3.512 11.049 4.984 1.00 62.11 H new ATOM 279 N ASN A 18 3.849 11.299 1.313 1.00 50.02 N ATOM 280 CA ASN A 18 5.291 11.602 1.234 1.00 1.53 C ATOM 281 C ASN A 18 5.552 12.842 2.077 1.00 64.54 C ATOM 282 O ASN A 18 4.645 13.660 2.274 1.00 41.22 O ATOM 283 CB ASN A 18 5.753 11.846 -0.229 1.00 70.05 C ATOM 284 CG ASN A 18 5.441 10.665 -1.146 1.00 63.41 C ATOM 285 OD1 ASN A 18 6.206 9.702 -1.239 1.00 14.21 O ATOM 286 ND2 ASN A 18 4.321 10.735 -1.841 1.00 54.41 N ATOM 0 H ASN A 18 3.271 11.873 0.699 1.00 50.02 H new ATOM 0 HA ASN A 18 5.857 10.748 1.606 1.00 1.53 H new ATOM 0 HB2 ASN A 18 5.266 12.741 -0.616 1.00 70.05 H new ATOM 0 HB3 ASN A 18 6.826 12.037 -0.241 1.00 70.05 H new ATOM 0 HD21 ASN A 18 4.067 9.979 -2.477 1.00 54.41 H new ATOM 0 HD22 ASN A 18 3.709 11.545 -1.742 1.00 54.41 H new ATOM 293 N THR A 19 6.774 12.978 2.594 1.00 54.20 N ATOM 294 CA THR A 19 7.165 14.154 3.367 1.00 62.04 C ATOM 295 C THR A 19 8.643 14.494 3.097 1.00 13.20 C ATOM 296 O THR A 19 9.532 13.624 3.190 1.00 11.45 O ATOM 297 CB THR A 19 6.864 13.969 4.898 1.00 54.43 C ATOM 298 OG1 THR A 19 7.203 15.168 5.615 1.00 25.23 O ATOM 299 CG2 THR A 19 7.585 12.753 5.524 1.00 14.54 C ATOM 0 H THR A 19 7.513 12.283 2.489 1.00 54.20 H new ATOM 0 HA THR A 19 6.561 15.001 3.041 1.00 62.04 H new ATOM 0 HB THR A 19 5.795 13.771 4.983 1.00 54.43 H new ATOM 0 HG1 THR A 19 7.011 15.045 6.568 1.00 25.23 H new ATOM 0 HG21 THR A 19 7.332 12.685 6.582 1.00 14.54 H new ATOM 0 HG22 THR A 19 7.269 11.842 5.016 1.00 14.54 H new ATOM 0 HG23 THR A 19 8.663 12.874 5.415 1.00 14.54 H new ATOM 307 N CYS A 20 8.878 15.751 2.688 1.00 52.14 N ATOM 308 CA CYS A 20 10.216 16.307 2.520 1.00 72.30 C ATOM 309 C CYS A 20 10.678 16.827 3.885 1.00 42.13 C ATOM 310 O CYS A 20 11.625 16.306 4.477 1.00 31.22 O ATOM 311 CB CYS A 20 10.203 17.433 1.457 1.00 23.13 C ATOM 312 SG CYS A 20 11.824 18.160 1.120 1.00 64.43 S ATOM 0 H CYS A 20 8.133 16.410 2.464 1.00 52.14 H new ATOM 0 HA CYS A 20 10.910 15.545 2.165 1.00 72.30 H new ATOM 0 HB2 CYS A 20 9.797 17.034 0.528 1.00 23.13 H new ATOM 0 HB3 CYS A 20 9.527 18.221 1.788 1.00 23.13 H new ATOM 0 HG CYS A 20 11.704 19.088 0.217 1.00 64.43 H new ATOM 318 N ASN A 21 9.942 17.834 4.382 1.00 71.15 N ATOM 319 CA ASN A 21 10.104 18.418 5.730 1.00 54.51 C ATOM 320 C ASN A 21 8.705 18.771 6.261 1.00 4.23 C ATOM 321 O ASN A 21 8.334 18.409 7.379 1.00 1.10 O ATOM 322 CB ASN A 21 11.006 19.691 5.693 1.00 13.03 C ATOM 323 CG ASN A 21 12.492 19.403 5.439 1.00 3.44 C ATOM 324 OD1 ASN A 21 13.005 18.361 5.827 1.00 35.31 O ATOM 325 ND2 ASN A 21 13.195 20.333 4.814 1.00 10.10 N ATOM 0 H ASN A 21 9.197 18.279 3.846 1.00 71.15 H new ATOM 0 HA ASN A 21 10.594 17.697 6.385 1.00 54.51 H new ATOM 0 HB2 ASN A 21 10.639 20.360 4.915 1.00 13.03 H new ATOM 0 HB3 ASN A 21 10.907 20.220 6.641 1.00 13.03 H new ATOM 0 HD21 ASN A 21 14.191 20.192 4.644 1.00 10.10 H new ATOM 0 HD22 ASN A 21 12.741 21.192 4.502 1.00 10.10 H new ATOM 332 N GLY A 22 7.956 19.512 5.430 1.00 72.05 N ATOM 333 CA GLY A 22 6.538 19.806 5.663 1.00 30.22 C ATOM 334 C GLY A 22 5.658 19.106 4.626 1.00 11.32 C ATOM 335 O GLY A 22 5.975 17.980 4.209 1.00 24.11 O ATOM 0 H GLY A 22 8.322 19.926 4.572 1.00 72.05 H new ATOM 0 HA2 GLY A 22 6.255 19.482 6.664 1.00 30.22 H new ATOM 0 HA3 GLY A 22 6.374 20.883 5.618 1.00 30.22 H new ATOM 339 N LYS A 23 4.565 19.786 4.198 1.00 64.44 N ATOM 340 CA LYS A 23 3.570 19.233 3.244 1.00 70.20 C ATOM 341 C LYS A 23 4.229 18.860 1.898 1.00 11.00 C ATOM 342 O LYS A 23 5.048 19.622 1.369 1.00 64.44 O ATOM 343 CB LYS A 23 2.422 20.246 2.987 1.00 65.53 C ATOM 344 CG LYS A 23 1.662 20.719 4.246 1.00 3.05 C ATOM 345 CD LYS A 23 0.420 21.583 3.896 1.00 71.51 C ATOM 346 CE LYS A 23 0.767 22.858 3.095 1.00 65.24 C ATOM 347 NZ LYS A 23 -0.455 23.585 2.644 1.00 34.03 N ATOM 0 H LYS A 23 4.348 20.734 4.505 1.00 64.44 H new ATOM 0 HA LYS A 23 3.159 18.331 3.698 1.00 70.20 H new ATOM 0 HB2 LYS A 23 2.837 21.120 2.484 1.00 65.53 H new ATOM 0 HB3 LYS A 23 1.707 19.793 2.301 1.00 65.53 H new ATOM 0 HG2 LYS A 23 1.346 19.851 4.824 1.00 3.05 H new ATOM 0 HG3 LYS A 23 2.336 21.296 4.879 1.00 3.05 H new ATOM 0 HD2 LYS A 23 -0.282 20.980 3.320 1.00 71.51 H new ATOM 0 HD3 LYS A 23 -0.087 21.868 4.818 1.00 71.51 H new ATOM 0 HE2 LYS A 23 1.375 23.519 3.712 1.00 65.24 H new ATOM 0 HE3 LYS A 23 1.369 22.588 2.227 1.00 65.24 H new ATOM 0 HZ1 LYS A 23 -0.177 24.434 2.111 1.00 34.03 H new ATOM 0 HZ2 LYS A 23 -1.023 22.963 2.034 1.00 34.03 H new ATOM 0 HZ3 LYS A 23 -1.018 23.866 3.472 1.00 34.03 H new ATOM 361 N THR A 24 3.870 17.685 1.367 1.00 21.44 N ATOM 362 CA THR A 24 4.442 17.141 0.118 1.00 71.21 C ATOM 363 C THR A 24 3.338 16.399 -0.674 1.00 72.32 C ATOM 364 O THR A 24 2.374 15.904 -0.079 1.00 61.22 O ATOM 365 CB THR A 24 5.642 16.192 0.449 1.00 14.44 C ATOM 366 OG1 THR A 24 6.599 16.887 1.276 1.00 61.21 O ATOM 367 CG2 THR A 24 6.365 15.663 -0.802 1.00 12.33 C ATOM 0 H THR A 24 3.170 17.077 1.791 1.00 21.44 H new ATOM 0 HA THR A 24 4.820 17.955 -0.500 1.00 71.21 H new ATOM 0 HB THR A 24 5.219 15.333 0.970 1.00 14.44 H new ATOM 0 HG1 THR A 24 6.207 17.056 2.158 1.00 61.21 H new ATOM 0 HG21 THR A 24 7.185 15.012 -0.500 1.00 12.33 H new ATOM 0 HG22 THR A 24 5.663 15.100 -1.417 1.00 12.33 H new ATOM 0 HG23 THR A 24 6.760 16.501 -1.376 1.00 12.33 H new ATOM 375 N PHE A 25 3.487 16.359 -2.015 1.00 13.15 N ATOM 376 CA PHE A 25 2.497 15.769 -2.936 1.00 61.20 C ATOM 377 C PHE A 25 2.250 14.273 -2.631 1.00 51.53 C ATOM 378 O PHE A 25 3.169 13.445 -2.698 1.00 40.04 O ATOM 379 CB PHE A 25 2.952 15.973 -4.400 1.00 2.43 C ATOM 380 CG PHE A 25 3.022 17.446 -4.825 1.00 11.05 C ATOM 381 CD1 PHE A 25 4.144 18.227 -4.535 1.00 51.30 C ATOM 382 CD2 PHE A 25 1.964 18.048 -5.509 1.00 32.12 C ATOM 383 CE1 PHE A 25 4.206 19.555 -4.910 1.00 64.33 C ATOM 384 CE2 PHE A 25 2.031 19.379 -5.884 1.00 62.43 C ATOM 385 CZ PHE A 25 3.149 20.130 -5.587 1.00 4.54 C ATOM 0 H PHE A 25 4.305 16.739 -2.491 1.00 13.15 H new ATOM 0 HA PHE A 25 1.547 16.283 -2.788 1.00 61.20 H new ATOM 0 HB2 PHE A 25 3.934 15.519 -4.533 1.00 2.43 H new ATOM 0 HB3 PHE A 25 2.265 15.445 -5.062 1.00 2.43 H new ATOM 0 HD1 PHE A 25 4.977 17.785 -4.009 1.00 51.30 H new ATOM 0 HD2 PHE A 25 1.084 17.469 -5.748 1.00 32.12 H new ATOM 0 HE1 PHE A 25 5.081 20.143 -4.674 1.00 64.33 H new ATOM 0 HE2 PHE A 25 1.204 19.831 -6.411 1.00 62.43 H new ATOM 0 HZ PHE A 25 3.198 21.167 -5.884 1.00 4.54 H new ATOM 395 N ASP A 26 0.993 13.968 -2.274 1.00 2.42 N ATOM 396 CA ASP A 26 0.545 12.619 -1.880 1.00 24.51 C ATOM 397 C ASP A 26 -0.019 11.861 -3.097 1.00 53.23 C ATOM 398 O ASP A 26 -0.423 12.481 -4.090 1.00 55.01 O ATOM 399 CB ASP A 26 -0.543 12.736 -0.774 1.00 1.14 C ATOM 400 CG ASP A 26 -0.098 13.568 0.452 1.00 22.44 C ATOM 401 OD1 ASP A 26 0.905 13.201 1.098 1.00 3.20 O ATOM 402 OD2 ASP A 26 -0.741 14.603 0.761 1.00 54.34 O ATOM 0 H ASP A 26 0.245 14.662 -2.250 1.00 2.42 H new ATOM 0 HA ASP A 26 1.398 12.062 -1.492 1.00 24.51 H new ATOM 0 HB2 ASP A 26 -1.437 13.188 -1.203 1.00 1.14 H new ATOM 0 HB3 ASP A 26 -0.820 11.735 -0.442 1.00 1.14 H new ATOM 407 N TYR A 27 -0.053 10.517 -3.010 1.00 24.43 N ATOM 408 CA TYR A 27 -0.581 9.646 -4.084 1.00 43.55 C ATOM 409 C TYR A 27 -1.748 8.797 -3.531 1.00 25.41 C ATOM 410 O TYR A 27 -1.554 7.682 -3.038 1.00 32.15 O ATOM 411 CB TYR A 27 0.563 8.764 -4.680 1.00 54.42 C ATOM 412 CG TYR A 27 1.748 9.576 -5.236 1.00 34.21 C ATOM 413 CD1 TYR A 27 1.628 10.319 -6.414 1.00 21.41 C ATOM 414 CD2 TYR A 27 2.972 9.628 -4.568 1.00 10.41 C ATOM 415 CE1 TYR A 27 2.684 11.072 -6.897 1.00 60.55 C ATOM 416 CE2 TYR A 27 4.025 10.385 -5.042 1.00 44.44 C ATOM 417 CZ TYR A 27 3.879 11.105 -6.207 1.00 71.03 C ATOM 418 OH TYR A 27 4.929 11.866 -6.686 1.00 60.04 O ATOM 0 H TYR A 27 0.284 10.003 -2.196 1.00 24.43 H new ATOM 0 HA TYR A 27 -0.969 10.256 -4.900 1.00 43.55 H new ATOM 0 HB2 TYR A 27 0.929 8.088 -3.907 1.00 54.42 H new ATOM 0 HB3 TYR A 27 0.153 8.144 -5.477 1.00 54.42 H new ATOM 0 HD1 TYR A 27 0.694 10.305 -6.957 1.00 21.41 H new ATOM 0 HD2 TYR A 27 3.099 9.062 -3.657 1.00 10.41 H new ATOM 0 HE1 TYR A 27 2.573 11.633 -7.813 1.00 60.55 H new ATOM 0 HE2 TYR A 27 4.960 10.412 -4.501 1.00 44.44 H new ATOM 0 HH TYR A 27 5.278 11.462 -7.508 1.00 60.04 H new ATOM 428 N THR A 28 -2.961 9.378 -3.573 1.00 4.22 N ATOM 429 CA THR A 28 -4.197 8.755 -3.051 1.00 70.44 C ATOM 430 C THR A 28 -5.095 8.271 -4.214 1.00 23.14 C ATOM 431 O THR A 28 -5.408 9.042 -5.131 1.00 32.44 O ATOM 432 CB THR A 28 -4.970 9.769 -2.146 1.00 1.14 C ATOM 433 OG1 THR A 28 -4.075 10.272 -1.135 1.00 62.23 O ATOM 434 CG2 THR A 28 -6.205 9.141 -1.460 1.00 21.45 C ATOM 0 H THR A 28 -3.115 10.303 -3.974 1.00 4.22 H new ATOM 0 HA THR A 28 -3.923 7.889 -2.449 1.00 70.44 H new ATOM 0 HB THR A 28 -5.330 10.571 -2.790 1.00 1.14 H new ATOM 0 HG1 THR A 28 -4.552 10.910 -0.564 1.00 62.23 H new ATOM 0 HG21 THR A 28 -6.701 9.892 -0.845 1.00 21.45 H new ATOM 0 HG22 THR A 28 -6.898 8.778 -2.219 1.00 21.45 H new ATOM 0 HG23 THR A 28 -5.888 8.309 -0.831 1.00 21.45 H new ATOM 442 N TYR A 29 -5.483 6.978 -4.173 1.00 64.13 N ATOM 443 CA TYR A 29 -6.275 6.313 -5.233 1.00 71.41 C ATOM 444 C TYR A 29 -7.376 5.455 -4.593 1.00 21.21 C ATOM 445 O TYR A 29 -7.169 4.875 -3.527 1.00 44.15 O ATOM 446 CB TYR A 29 -5.371 5.394 -6.112 1.00 61.15 C ATOM 447 CG TYR A 29 -4.151 6.091 -6.732 1.00 35.40 C ATOM 448 CD1 TYR A 29 -2.944 6.169 -6.037 1.00 33.04 C ATOM 449 CD2 TYR A 29 -4.203 6.672 -8.005 1.00 5.35 C ATOM 450 CE1 TYR A 29 -1.842 6.789 -6.577 1.00 25.32 C ATOM 451 CE2 TYR A 29 -3.093 7.297 -8.547 1.00 22.44 C ATOM 452 CZ TYR A 29 -1.915 7.349 -7.827 1.00 63.23 C ATOM 453 OH TYR A 29 -0.803 7.969 -8.357 1.00 14.22 O ATOM 0 H TYR A 29 -5.253 6.359 -3.395 1.00 64.13 H new ATOM 0 HA TYR A 29 -6.715 7.086 -5.863 1.00 71.41 H new ATOM 0 HB2 TYR A 29 -5.024 4.560 -5.502 1.00 61.15 H new ATOM 0 HB3 TYR A 29 -5.977 4.972 -6.914 1.00 61.15 H new ATOM 0 HD1 TYR A 29 -2.874 5.732 -5.052 1.00 33.04 H new ATOM 0 HD2 TYR A 29 -5.122 6.632 -8.572 1.00 5.35 H new ATOM 0 HE1 TYR A 29 -0.919 6.835 -6.017 1.00 25.32 H new ATOM 0 HE2 TYR A 29 -3.148 7.742 -9.529 1.00 22.44 H new ATOM 0 HH TYR A 29 -1.015 8.314 -9.249 1.00 14.22 H new ATOM 463 N THR A 30 -8.545 5.392 -5.248 1.00 35.10 N ATOM 464 CA THR A 30 -9.619 4.452 -4.888 1.00 31.34 C ATOM 465 C THR A 30 -9.717 3.374 -5.978 1.00 40.21 C ATOM 466 O THR A 30 -10.107 3.661 -7.122 1.00 65.21 O ATOM 467 CB THR A 30 -10.997 5.178 -4.716 1.00 42.01 C ATOM 468 OG1 THR A 30 -10.921 6.106 -3.618 1.00 55.43 O ATOM 469 CG2 THR A 30 -12.156 4.190 -4.470 1.00 40.31 C ATOM 0 H THR A 30 -8.773 5.991 -6.042 1.00 35.10 H new ATOM 0 HA THR A 30 -9.376 3.997 -3.928 1.00 31.34 H new ATOM 0 HB THR A 30 -11.204 5.704 -5.648 1.00 42.01 H new ATOM 0 HG1 THR A 30 -11.818 6.441 -3.410 1.00 55.43 H new ATOM 0 HG21 THR A 30 -13.088 4.743 -4.358 1.00 40.31 H new ATOM 0 HG22 THR A 30 -12.239 3.508 -5.316 1.00 40.31 H new ATOM 0 HG23 THR A 30 -11.961 3.619 -3.562 1.00 40.31 H new ATOM 477 N VAL A 31 -9.329 2.143 -5.622 1.00 63.41 N ATOM 478 CA VAL A 31 -9.431 0.974 -6.515 1.00 23.15 C ATOM 479 C VAL A 31 -10.449 -0.027 -5.926 1.00 1.02 C ATOM 480 O VAL A 31 -10.617 -0.109 -4.707 1.00 13.33 O ATOM 481 CB VAL A 31 -8.025 0.292 -6.755 1.00 42.11 C ATOM 482 CG1 VAL A 31 -6.967 1.331 -7.213 1.00 61.31 C ATOM 483 CG2 VAL A 31 -7.520 -0.504 -5.529 1.00 11.42 C ATOM 0 H VAL A 31 -8.935 1.926 -4.707 1.00 63.41 H new ATOM 0 HA VAL A 31 -9.781 1.309 -7.491 1.00 23.15 H new ATOM 0 HB VAL A 31 -8.172 -0.432 -7.557 1.00 42.11 H new ATOM 0 HG11 VAL A 31 -6.011 0.832 -7.370 1.00 61.31 H new ATOM 0 HG12 VAL A 31 -7.292 1.794 -8.145 1.00 61.31 H new ATOM 0 HG13 VAL A 31 -6.854 2.098 -6.447 1.00 61.31 H new ATOM 0 HG21 VAL A 31 -6.551 -0.948 -5.757 1.00 11.42 H new ATOM 0 HG22 VAL A 31 -7.420 0.167 -4.676 1.00 11.42 H new ATOM 0 HG23 VAL A 31 -8.233 -1.293 -5.289 1.00 11.42 H new ATOM 493 N THR A 32 -11.159 -0.756 -6.792 1.00 42.44 N ATOM 494 CA THR A 32 -12.173 -1.748 -6.364 1.00 53.04 C ATOM 495 C THR A 32 -11.646 -3.193 -6.523 1.00 4.44 C ATOM 496 O THR A 32 -12.260 -4.145 -6.030 1.00 13.13 O ATOM 497 CB THR A 32 -13.516 -1.541 -7.153 1.00 44.50 C ATOM 498 OG1 THR A 32 -14.556 -2.390 -6.634 1.00 33.55 O ATOM 499 CG2 THR A 32 -13.369 -1.803 -8.659 1.00 74.21 C ATOM 0 H THR A 32 -11.055 -0.683 -7.804 1.00 42.44 H new ATOM 0 HA THR A 32 -12.375 -1.590 -5.305 1.00 53.04 H new ATOM 0 HB THR A 32 -13.784 -0.493 -7.014 1.00 44.50 H new ATOM 0 HG1 THR A 32 -14.954 -1.973 -5.841 1.00 33.55 H new ATOM 0 HG21 THR A 32 -14.328 -1.644 -9.151 1.00 74.21 H new ATOM 0 HG22 THR A 32 -12.630 -1.120 -9.077 1.00 74.21 H new ATOM 0 HG23 THR A 32 -13.044 -2.831 -8.819 1.00 74.21 H new ATOM 507 N THR A 33 -10.473 -3.341 -7.168 1.00 13.12 N ATOM 508 CA THR A 33 -9.891 -4.657 -7.503 1.00 55.41 C ATOM 509 C THR A 33 -8.377 -4.691 -7.163 1.00 72.33 C ATOM 510 O THR A 33 -7.697 -3.659 -7.219 1.00 70.02 O ATOM 511 CB THR A 33 -10.128 -4.986 -9.022 1.00 74.43 C ATOM 512 OG1 THR A 33 -11.523 -4.824 -9.341 1.00 43.22 O ATOM 513 CG2 THR A 33 -9.701 -6.421 -9.388 1.00 44.23 C ATOM 0 H THR A 33 -9.902 -2.553 -7.472 1.00 13.12 H new ATOM 0 HA THR A 33 -10.388 -5.418 -6.902 1.00 55.41 H new ATOM 0 HB THR A 33 -9.514 -4.294 -9.598 1.00 74.43 H new ATOM 0 HG1 THR A 33 -11.668 -5.028 -10.289 1.00 43.22 H new ATOM 0 HG21 THR A 33 -9.886 -6.596 -10.448 1.00 44.23 H new ATOM 0 HG22 THR A 33 -8.639 -6.549 -9.179 1.00 44.23 H new ATOM 0 HG23 THR A 33 -10.276 -7.134 -8.797 1.00 44.23 H new ATOM 521 N GLU A 34 -7.877 -5.903 -6.826 1.00 44.32 N ATOM 522 CA GLU A 34 -6.472 -6.149 -6.429 1.00 41.13 C ATOM 523 C GLU A 34 -5.498 -6.056 -7.614 1.00 4.25 C ATOM 524 O GLU A 34 -4.298 -5.829 -7.415 1.00 21.35 O ATOM 525 CB GLU A 34 -6.341 -7.539 -5.777 1.00 42.05 C ATOM 526 CG GLU A 34 -7.263 -7.761 -4.569 1.00 62.31 C ATOM 527 CD GLU A 34 -7.012 -9.108 -3.883 1.00 62.14 C ATOM 528 OE1 GLU A 34 -5.904 -9.290 -3.317 1.00 21.55 O ATOM 529 OE2 GLU A 34 -7.902 -9.991 -3.905 1.00 13.14 O ATOM 0 H GLU A 34 -8.447 -6.749 -6.822 1.00 44.32 H new ATOM 0 HA GLU A 34 -6.206 -5.368 -5.717 1.00 41.13 H new ATOM 0 HB2 GLU A 34 -6.555 -8.301 -6.527 1.00 42.05 H new ATOM 0 HB3 GLU A 34 -5.308 -7.683 -5.462 1.00 42.05 H new ATOM 0 HG2 GLU A 34 -7.114 -6.956 -3.849 1.00 62.31 H new ATOM 0 HG3 GLU A 34 -8.302 -7.710 -4.894 1.00 62.31 H new ATOM 536 N SER A 35 -6.013 -6.262 -8.839 1.00 13.41 N ATOM 537 CA SER A 35 -5.239 -6.072 -10.077 1.00 53.11 C ATOM 538 C SER A 35 -4.726 -4.630 -10.149 1.00 54.22 C ATOM 539 O SER A 35 -3.557 -4.380 -10.446 1.00 52.43 O ATOM 540 CB SER A 35 -6.120 -6.391 -11.303 1.00 25.42 C ATOM 541 OG SER A 35 -7.252 -5.530 -11.367 1.00 2.30 O ATOM 0 H SER A 35 -6.974 -6.564 -8.998 1.00 13.41 H new ATOM 0 HA SER A 35 -4.386 -6.750 -10.076 1.00 53.11 H new ATOM 0 HB2 SER A 35 -5.530 -6.287 -12.214 1.00 25.42 H new ATOM 0 HB3 SER A 35 -6.452 -7.428 -11.255 1.00 25.42 H new ATOM 0 HG SER A 35 -7.006 -4.699 -11.825 1.00 2.30 H new ATOM 547 N GLU A 36 -5.630 -3.709 -9.776 1.00 15.43 N ATOM 548 CA GLU A 36 -5.392 -2.270 -9.785 1.00 30.24 C ATOM 549 C GLU A 36 -4.386 -1.857 -8.691 1.00 54.15 C ATOM 550 O GLU A 36 -3.717 -0.844 -8.833 1.00 70.40 O ATOM 551 CB GLU A 36 -6.739 -1.532 -9.609 1.00 1.13 C ATOM 552 CG GLU A 36 -7.855 -1.962 -10.587 1.00 32.25 C ATOM 553 CD GLU A 36 -7.491 -1.740 -12.071 1.00 23.51 C ATOM 554 OE1 GLU A 36 -7.650 -0.601 -12.565 1.00 31.14 O ATOM 555 OE2 GLU A 36 -7.050 -2.705 -12.743 1.00 21.50 O ATOM 0 H GLU A 36 -6.565 -3.958 -9.454 1.00 15.43 H new ATOM 0 HA GLU A 36 -4.951 -1.991 -10.742 1.00 30.24 H new ATOM 0 HB2 GLU A 36 -7.091 -1.689 -8.589 1.00 1.13 H new ATOM 0 HB3 GLU A 36 -6.567 -0.462 -9.726 1.00 1.13 H new ATOM 0 HG2 GLU A 36 -8.079 -3.017 -10.430 1.00 32.25 H new ATOM 0 HG3 GLU A 36 -8.764 -1.406 -10.357 1.00 32.25 H new ATOM 562 N LEU A 37 -4.292 -2.658 -7.602 1.00 22.54 N ATOM 563 CA LEU A 37 -3.231 -2.489 -6.580 1.00 21.25 C ATOM 564 C LEU A 37 -1.849 -2.707 -7.210 1.00 34.42 C ATOM 565 O LEU A 37 -0.956 -1.895 -7.029 1.00 11.41 O ATOM 566 CB LEU A 37 -3.423 -3.455 -5.372 1.00 41.21 C ATOM 567 CG LEU A 37 -4.599 -3.118 -4.411 1.00 54.21 C ATOM 568 CD1 LEU A 37 -4.790 -4.220 -3.350 1.00 34.12 C ATOM 569 CD2 LEU A 37 -4.383 -1.745 -3.745 1.00 54.24 C ATOM 0 H LEU A 37 -4.936 -3.425 -7.409 1.00 22.54 H new ATOM 0 HA LEU A 37 -3.303 -1.469 -6.202 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -3.573 -4.463 -5.758 1.00 41.21 H new ATOM 0 HB3 LEU A 37 -2.499 -3.470 -4.793 1.00 41.21 H new ATOM 0 HG LEU A 37 -5.512 -3.070 -5.005 1.00 54.21 H new ATOM 0 HD11 LEU A 37 -5.619 -3.954 -2.694 1.00 34.12 H new ATOM 0 HD12 LEU A 37 -5.007 -5.167 -3.844 1.00 34.12 H new ATOM 0 HD13 LEU A 37 -3.879 -4.319 -2.760 1.00 34.12 H new ATOM 0 HD21 LEU A 37 -5.217 -1.529 -3.077 1.00 54.24 H new ATOM 0 HD22 LEU A 37 -3.455 -1.760 -3.173 1.00 54.24 H new ATOM 0 HD23 LEU A 37 -4.324 -0.973 -4.513 1.00 54.24 H new ATOM 581 N GLN A 38 -1.708 -3.790 -7.996 1.00 24.10 N ATOM 582 CA GLN A 38 -0.424 -4.135 -8.637 1.00 42.20 C ATOM 583 C GLN A 38 -0.061 -3.107 -9.734 1.00 1.45 C ATOM 584 O GLN A 38 1.113 -2.788 -9.918 1.00 22.23 O ATOM 585 CB GLN A 38 -0.464 -5.575 -9.216 1.00 20.32 C ATOM 586 CG GLN A 38 -0.825 -6.674 -8.183 1.00 11.31 C ATOM 587 CD GLN A 38 -0.738 -8.099 -8.748 1.00 23.14 C ATOM 588 OE1 GLN A 38 -0.921 -8.323 -9.946 1.00 71.43 O ATOM 589 NE2 GLN A 38 -0.491 -9.080 -7.889 1.00 4.51 N ATOM 0 H GLN A 38 -2.466 -4.441 -8.203 1.00 24.10 H new ATOM 0 HA GLN A 38 0.354 -4.101 -7.874 1.00 42.20 H new ATOM 0 HB2 GLN A 38 -1.189 -5.606 -10.029 1.00 20.32 H new ATOM 0 HB3 GLN A 38 0.509 -5.806 -9.648 1.00 20.32 H new ATOM 0 HG2 GLN A 38 -0.156 -6.590 -7.326 1.00 11.31 H new ATOM 0 HG3 GLN A 38 -1.836 -6.498 -7.816 1.00 11.31 H new ATOM 0 HE21 GLN A 38 -0.343 -8.869 -6.902 1.00 4.51 H new ATOM 0 HE22 GLN A 38 -0.449 -10.045 -8.216 1.00 4.51 H new ATOM 598 N LYS A 39 -1.090 -2.573 -10.435 1.00 52.24 N ATOM 599 CA LYS A 39 -0.906 -1.558 -11.499 1.00 31.32 C ATOM 600 C LYS A 39 -0.440 -0.207 -10.899 1.00 1.32 C ATOM 601 O LYS A 39 0.525 0.398 -11.383 1.00 53.32 O ATOM 602 CB LYS A 39 -2.225 -1.354 -12.314 1.00 71.12 C ATOM 603 CG LYS A 39 -2.777 -2.616 -13.028 1.00 64.01 C ATOM 604 CD LYS A 39 -1.833 -3.225 -14.100 1.00 54.42 C ATOM 605 CE LYS A 39 -1.585 -2.284 -15.293 1.00 5.15 C ATOM 606 NZ LYS A 39 -0.793 -2.942 -16.371 1.00 64.11 N ATOM 0 H LYS A 39 -2.064 -2.832 -10.280 1.00 52.24 H new ATOM 0 HA LYS A 39 -0.134 -1.925 -12.175 1.00 31.32 H new ATOM 0 HB2 LYS A 39 -2.993 -0.976 -11.639 1.00 71.12 H new ATOM 0 HB3 LYS A 39 -2.051 -0.582 -13.063 1.00 71.12 H new ATOM 0 HG2 LYS A 39 -2.989 -3.377 -12.277 1.00 64.01 H new ATOM 0 HG3 LYS A 39 -3.725 -2.362 -13.502 1.00 64.01 H new ATOM 0 HD2 LYS A 39 -0.878 -3.473 -13.636 1.00 54.42 H new ATOM 0 HD3 LYS A 39 -2.262 -4.158 -14.465 1.00 54.42 H new ATOM 0 HE2 LYS A 39 -2.541 -1.952 -15.697 1.00 5.15 H new ATOM 0 HE3 LYS A 39 -1.058 -1.394 -14.949 1.00 5.15 H new ATOM 0 HZ1 LYS A 39 -0.650 -2.273 -17.154 1.00 64.11 H new ATOM 0 HZ2 LYS A 39 0.130 -3.236 -15.993 1.00 64.11 H new ATOM 0 HZ3 LYS A 39 -1.306 -3.777 -16.719 1.00 64.11 H new ATOM 620 N VAL A 40 -1.131 0.239 -9.829 1.00 73.45 N ATOM 621 CA VAL A 40 -0.873 1.536 -9.175 1.00 5.04 C ATOM 622 C VAL A 40 0.427 1.499 -8.356 1.00 70.40 C ATOM 623 O VAL A 40 1.360 2.227 -8.671 1.00 3.34 O ATOM 624 CB VAL A 40 -2.086 1.968 -8.253 1.00 61.31 C ATOM 625 CG1 VAL A 40 -1.734 3.180 -7.363 1.00 10.32 C ATOM 626 CG2 VAL A 40 -3.344 2.271 -9.097 1.00 10.55 C ATOM 0 H VAL A 40 -1.885 -0.293 -9.394 1.00 73.45 H new ATOM 0 HA VAL A 40 -0.761 2.278 -9.966 1.00 5.04 H new ATOM 0 HB VAL A 40 -2.300 1.125 -7.596 1.00 61.31 H new ATOM 0 HG11 VAL A 40 -2.595 3.442 -6.748 1.00 10.32 H new ATOM 0 HG12 VAL A 40 -0.892 2.926 -6.720 1.00 10.32 H new ATOM 0 HG13 VAL A 40 -1.467 4.029 -7.993 1.00 10.32 H new ATOM 0 HG21 VAL A 40 -4.162 2.565 -8.439 1.00 10.55 H new ATOM 0 HG22 VAL A 40 -3.129 3.082 -9.793 1.00 10.55 H new ATOM 0 HG23 VAL A 40 -3.631 1.380 -9.656 1.00 10.55 H new ATOM 636 N LEU A 41 0.472 0.611 -7.339 1.00 64.45 N ATOM 637 CA LEU A 41 1.545 0.568 -6.318 1.00 71.21 C ATOM 638 C LEU A 41 2.955 0.357 -6.920 1.00 41.34 C ATOM 639 O LEU A 41 3.941 0.766 -6.316 1.00 21.20 O ATOM 640 CB LEU A 41 1.239 -0.533 -5.262 1.00 21.21 C ATOM 641 CG LEU A 41 -0.029 -0.317 -4.367 1.00 71.32 C ATOM 642 CD1 LEU A 41 -0.257 -1.518 -3.426 1.00 72.41 C ATOM 643 CD2 LEU A 41 0.085 0.991 -3.565 1.00 12.04 C ATOM 0 H LEU A 41 -0.242 -0.104 -7.201 1.00 64.45 H new ATOM 0 HA LEU A 41 1.557 1.547 -5.838 1.00 71.21 H new ATOM 0 HB2 LEU A 41 1.129 -1.484 -5.784 1.00 21.21 H new ATOM 0 HB3 LEU A 41 2.106 -0.627 -4.607 1.00 21.21 H new ATOM 0 HG LEU A 41 -0.894 -0.239 -5.026 1.00 71.32 H new ATOM 0 HD11 LEU A 41 -1.143 -1.340 -2.817 1.00 72.41 H new ATOM 0 HD12 LEU A 41 -0.399 -2.422 -4.018 1.00 72.41 H new ATOM 0 HD13 LEU A 41 0.610 -1.641 -2.777 1.00 72.41 H new ATOM 0 HD21 LEU A 41 -0.806 1.120 -2.951 1.00 12.04 H new ATOM 0 HD22 LEU A 41 0.965 0.949 -2.923 1.00 12.04 H new ATOM 0 HD23 LEU A 41 0.177 1.832 -4.252 1.00 12.04 H new ATOM 655 N ASN A 42 3.020 -0.272 -8.109 1.00 40.51 N ATOM 656 CA ASN A 42 4.285 -0.499 -8.853 1.00 52.32 C ATOM 657 C ASN A 42 4.861 0.838 -9.382 1.00 55.22 C ATOM 658 O ASN A 42 6.062 1.101 -9.286 1.00 25.20 O ATOM 659 CB ASN A 42 4.026 -1.481 -10.028 1.00 24.15 C ATOM 660 CG ASN A 42 5.272 -1.869 -10.841 1.00 51.31 C ATOM 661 OD1 ASN A 42 6.392 -1.944 -10.321 1.00 13.43 O ATOM 662 ND2 ASN A 42 5.081 -2.137 -12.123 1.00 15.03 N ATOM 0 H ASN A 42 2.197 -0.640 -8.586 1.00 40.51 H new ATOM 0 HA ASN A 42 5.019 -0.935 -8.175 1.00 52.32 H new ATOM 0 HB2 ASN A 42 3.574 -2.389 -9.629 1.00 24.15 H new ATOM 0 HB3 ASN A 42 3.297 -1.032 -10.702 1.00 24.15 H new ATOM 0 HD21 ASN A 42 5.869 -2.414 -12.709 1.00 15.03 H new ATOM 0 HD22 ASN A 42 4.146 -2.067 -12.525 1.00 15.03 H new ATOM 669 N GLU A 43 3.969 1.678 -9.923 1.00 12.23 N ATOM 670 CA GLU A 43 4.315 3.002 -10.476 1.00 71.35 C ATOM 671 C GLU A 43 4.549 4.013 -9.325 1.00 71.13 C ATOM 672 O GLU A 43 5.517 4.781 -9.332 1.00 15.14 O ATOM 673 CB GLU A 43 3.151 3.471 -11.389 1.00 15.11 C ATOM 674 CG GLU A 43 3.415 4.791 -12.135 1.00 34.24 C ATOM 675 CD GLU A 43 2.170 5.361 -12.834 1.00 44.20 C ATOM 676 OE1 GLU A 43 1.246 5.815 -12.128 1.00 13.14 O ATOM 677 OE2 GLU A 43 2.106 5.370 -14.084 1.00 42.11 O ATOM 0 H GLU A 43 2.975 1.459 -9.992 1.00 12.23 H new ATOM 0 HA GLU A 43 5.234 2.939 -11.059 1.00 71.35 H new ATOM 0 HB2 GLU A 43 2.943 2.690 -12.121 1.00 15.11 H new ATOM 0 HB3 GLU A 43 2.253 3.585 -10.781 1.00 15.11 H new ATOM 0 HG2 GLU A 43 3.795 5.529 -11.428 1.00 34.24 H new ATOM 0 HG3 GLU A 43 4.197 4.629 -12.877 1.00 34.24 H new ATOM 684 N LEU A 44 3.646 3.937 -8.328 1.00 50.40 N ATOM 685 CA LEU A 44 3.611 4.774 -7.104 1.00 2.05 C ATOM 686 C LEU A 44 4.943 4.655 -6.335 1.00 12.32 C ATOM 687 O LEU A 44 5.480 5.646 -5.845 1.00 51.43 O ATOM 688 CB LEU A 44 2.382 4.288 -6.259 1.00 40.32 C ATOM 689 CG LEU A 44 1.915 5.126 -5.010 1.00 62.50 C ATOM 690 CD1 LEU A 44 0.450 4.797 -4.642 1.00 35.44 C ATOM 691 CD2 LEU A 44 2.808 4.887 -3.781 1.00 72.35 C ATOM 0 H LEU A 44 2.884 3.260 -8.351 1.00 50.40 H new ATOM 0 HA LEU A 44 3.496 5.832 -7.340 1.00 2.05 H new ATOM 0 HB2 LEU A 44 1.531 4.210 -6.936 1.00 40.32 H new ATOM 0 HB3 LEU A 44 2.605 3.280 -5.910 1.00 40.32 H new ATOM 0 HG LEU A 44 1.997 6.175 -5.294 1.00 62.50 H new ATOM 0 HD11 LEU A 44 0.151 5.388 -3.777 1.00 35.44 H new ATOM 0 HD12 LEU A 44 -0.199 5.034 -5.485 1.00 35.44 H new ATOM 0 HD13 LEU A 44 0.364 3.737 -4.404 1.00 35.44 H new ATOM 0 HD21 LEU A 44 2.446 5.487 -2.946 1.00 72.35 H new ATOM 0 HD22 LEU A 44 2.779 3.832 -3.510 1.00 72.35 H new ATOM 0 HD23 LEU A 44 3.833 5.173 -4.015 1.00 72.35 H new ATOM 703 N LYS A 45 5.441 3.413 -6.276 1.00 41.40 N ATOM 704 CA LYS A 45 6.742 3.028 -5.689 1.00 64.40 C ATOM 705 C LYS A 45 7.916 3.853 -6.259 1.00 52.52 C ATOM 706 O LYS A 45 8.767 4.350 -5.510 1.00 44.24 O ATOM 707 CB LYS A 45 6.939 1.528 -6.005 1.00 33.24 C ATOM 708 CG LYS A 45 8.280 0.896 -5.600 1.00 41.52 C ATOM 709 CD LYS A 45 8.398 -0.566 -6.090 1.00 43.35 C ATOM 710 CE LYS A 45 8.280 -0.697 -7.626 1.00 40.43 C ATOM 711 NZ LYS A 45 8.160 -2.112 -8.068 1.00 54.34 N ATOM 0 H LYS A 45 4.932 2.612 -6.650 1.00 41.40 H new ATOM 0 HA LYS A 45 6.733 3.222 -4.616 1.00 64.40 H new ATOM 0 HB2 LYS A 45 6.141 0.971 -5.514 1.00 33.24 H new ATOM 0 HB3 LYS A 45 6.810 1.389 -7.078 1.00 33.24 H new ATOM 0 HG2 LYS A 45 9.099 1.485 -6.013 1.00 41.52 H new ATOM 0 HG3 LYS A 45 8.382 0.925 -4.515 1.00 41.52 H new ATOM 0 HD2 LYS A 45 9.355 -0.976 -5.768 1.00 43.35 H new ATOM 0 HD3 LYS A 45 7.620 -1.166 -5.618 1.00 43.35 H new ATOM 0 HE2 LYS A 45 7.410 -0.137 -7.970 1.00 40.43 H new ATOM 0 HE3 LYS A 45 9.155 -0.246 -8.094 1.00 40.43 H new ATOM 0 HZ1 LYS A 45 7.574 -2.159 -8.926 1.00 54.34 H new ATOM 0 HZ2 LYS A 45 9.106 -2.493 -8.273 1.00 54.34 H new ATOM 0 HZ3 LYS A 45 7.716 -2.675 -7.314 1.00 54.34 H new ATOM 725 N ASP A 46 7.919 4.000 -7.592 1.00 14.31 N ATOM 726 CA ASP A 46 8.980 4.696 -8.343 1.00 45.13 C ATOM 727 C ASP A 46 8.934 6.218 -8.073 1.00 52.42 C ATOM 728 O ASP A 46 9.966 6.902 -8.119 1.00 62.13 O ATOM 729 CB ASP A 46 8.824 4.380 -9.855 1.00 1.53 C ATOM 730 CG ASP A 46 10.047 4.786 -10.702 1.00 24.12 C ATOM 731 OD1 ASP A 46 11.004 3.982 -10.802 1.00 72.11 O ATOM 732 OD2 ASP A 46 10.057 5.897 -11.275 1.00 3.23 O ATOM 0 H ASP A 46 7.176 3.635 -8.188 1.00 14.31 H new ATOM 0 HA ASP A 46 9.956 4.342 -8.010 1.00 45.13 H new ATOM 0 HB2 ASP A 46 8.647 3.312 -9.978 1.00 1.53 H new ATOM 0 HB3 ASP A 46 7.942 4.895 -10.236 1.00 1.53 H new ATOM 737 N TYR A 47 7.720 6.728 -7.775 1.00 33.55 N ATOM 738 CA TYR A 47 7.509 8.136 -7.376 1.00 61.35 C ATOM 739 C TYR A 47 7.987 8.397 -5.929 1.00 11.42 C ATOM 740 O TYR A 47 8.521 9.479 -5.646 1.00 72.15 O ATOM 741 CB TYR A 47 6.020 8.538 -7.530 1.00 0.04 C ATOM 742 CG TYR A 47 5.570 8.786 -8.981 1.00 34.45 C ATOM 743 CD1 TYR A 47 5.811 10.013 -9.606 1.00 5.11 C ATOM 744 CD2 TYR A 47 4.910 7.808 -9.721 1.00 53.05 C ATOM 745 CE1 TYR A 47 5.418 10.245 -10.908 1.00 53.52 C ATOM 746 CE2 TYR A 47 4.513 8.040 -11.024 1.00 31.13 C ATOM 747 CZ TYR A 47 4.767 9.259 -11.614 1.00 3.30 C ATOM 748 OH TYR A 47 4.386 9.488 -12.923 1.00 44.55 O ATOM 0 H TYR A 47 6.862 6.178 -7.804 1.00 33.55 H new ATOM 0 HA TYR A 47 8.109 8.754 -8.044 1.00 61.35 H new ATOM 0 HB2 TYR A 47 5.399 7.752 -7.100 1.00 0.04 H new ATOM 0 HB3 TYR A 47 5.839 9.442 -6.948 1.00 0.04 H new ATOM 0 HD1 TYR A 47 6.315 10.795 -9.058 1.00 5.11 H new ATOM 0 HD2 TYR A 47 4.704 6.850 -9.268 1.00 53.05 H new ATOM 0 HE1 TYR A 47 5.621 11.199 -11.372 1.00 53.52 H new ATOM 0 HE2 TYR A 47 4.004 7.266 -11.580 1.00 31.13 H new ATOM 0 HH TYR A 47 3.939 8.691 -13.278 1.00 44.55 H new ATOM 758 N ILE A 48 7.780 7.402 -5.024 1.00 73.03 N ATOM 759 CA ILE A 48 8.277 7.472 -3.628 1.00 24.10 C ATOM 760 C ILE A 48 9.817 7.550 -3.637 1.00 33.01 C ATOM 761 O ILE A 48 10.411 8.328 -2.910 1.00 1.41 O ATOM 762 CB ILE A 48 7.871 6.219 -2.752 1.00 3.52 C ATOM 763 CG1 ILE A 48 6.329 5.989 -2.696 1.00 13.35 C ATOM 764 CG2 ILE A 48 8.445 6.343 -1.316 1.00 61.23 C ATOM 765 CD1 ILE A 48 5.917 4.690 -1.996 1.00 52.43 C ATOM 0 H ILE A 48 7.272 6.544 -5.239 1.00 73.03 H new ATOM 0 HA ILE A 48 7.820 8.358 -3.187 1.00 24.10 H new ATOM 0 HB ILE A 48 8.306 5.348 -3.242 1.00 3.52 H new ATOM 0 HG12 ILE A 48 5.865 6.830 -2.181 1.00 13.35 H new ATOM 0 HG13 ILE A 48 5.936 5.982 -3.713 1.00 13.35 H new ATOM 0 HG21 ILE A 48 8.154 5.471 -0.731 1.00 61.23 H new ATOM 0 HG22 ILE A 48 9.532 6.402 -1.363 1.00 61.23 H new ATOM 0 HG23 ILE A 48 8.053 7.244 -0.844 1.00 61.23 H new ATOM 0 HD11 ILE A 48 4.830 4.604 -1.999 1.00 52.43 H new ATOM 0 HD12 ILE A 48 6.350 3.840 -2.523 1.00 52.43 H new ATOM 0 HD13 ILE A 48 6.278 4.701 -0.967 1.00 52.43 H new ATOM 777 N LYS A 49 10.424 6.710 -4.496 1.00 73.12 N ATOM 778 CA LYS A 49 11.886 6.624 -4.679 1.00 22.15 C ATOM 779 C LYS A 49 12.493 7.999 -5.028 1.00 65.54 C ATOM 780 O LYS A 49 13.567 8.359 -4.547 1.00 23.43 O ATOM 781 CB LYS A 49 12.187 5.620 -5.816 1.00 34.02 C ATOM 782 CG LYS A 49 13.690 5.377 -6.108 1.00 1.30 C ATOM 783 CD LYS A 49 13.920 4.618 -7.440 1.00 62.30 C ATOM 784 CE LYS A 49 13.378 5.399 -8.658 1.00 73.02 C ATOM 785 NZ LYS A 49 13.628 4.691 -9.944 1.00 72.24 N ATOM 0 H LYS A 49 9.906 6.063 -5.091 1.00 73.12 H new ATOM 0 HA LYS A 49 12.335 6.289 -3.744 1.00 22.15 H new ATOM 0 HB2 LYS A 49 11.724 4.665 -5.567 1.00 34.02 H new ATOM 0 HB3 LYS A 49 11.710 5.977 -6.729 1.00 34.02 H new ATOM 0 HG2 LYS A 49 14.209 6.335 -6.145 1.00 1.30 H new ATOM 0 HG3 LYS A 49 14.129 4.808 -5.289 1.00 1.30 H new ATOM 0 HD2 LYS A 49 14.986 4.436 -7.573 1.00 62.30 H new ATOM 0 HD3 LYS A 49 13.434 3.644 -7.390 1.00 62.30 H new ATOM 0 HE2 LYS A 49 12.307 5.558 -8.536 1.00 73.02 H new ATOM 0 HE3 LYS A 49 13.845 6.383 -8.692 1.00 73.02 H new ATOM 0 HZ1 LYS A 49 14.109 5.333 -10.606 1.00 72.24 H new ATOM 0 HZ2 LYS A 49 14.228 3.859 -9.771 1.00 72.24 H new ATOM 0 HZ3 LYS A 49 12.722 4.386 -10.354 1.00 72.24 H new ATOM 799 N LYS A 50 11.769 8.753 -5.870 1.00 72.31 N ATOM 800 CA LYS A 50 12.221 10.050 -6.407 1.00 12.51 C ATOM 801 C LYS A 50 11.866 11.234 -5.457 1.00 64.01 C ATOM 802 O LYS A 50 12.386 12.346 -5.620 1.00 74.31 O ATOM 803 CB LYS A 50 11.622 10.216 -7.836 1.00 62.13 C ATOM 804 CG LYS A 50 12.201 11.388 -8.673 1.00 11.14 C ATOM 805 CD LYS A 50 11.834 11.298 -10.178 1.00 5.10 C ATOM 806 CE LYS A 50 10.318 11.240 -10.449 1.00 3.31 C ATOM 807 NZ LYS A 50 9.604 12.455 -9.980 1.00 70.44 N ATOM 0 H LYS A 50 10.844 8.478 -6.201 1.00 72.31 H new ATOM 0 HA LYS A 50 13.309 10.066 -6.474 1.00 12.51 H new ATOM 0 HB2 LYS A 50 11.778 9.288 -8.386 1.00 62.13 H new ATOM 0 HB3 LYS A 50 10.545 10.355 -7.745 1.00 62.13 H new ATOM 0 HG2 LYS A 50 11.832 12.331 -8.271 1.00 11.14 H new ATOM 0 HG3 LYS A 50 13.286 11.400 -8.569 1.00 11.14 H new ATOM 0 HD2 LYS A 50 12.253 12.161 -10.696 1.00 5.10 H new ATOM 0 HD3 LYS A 50 12.303 10.411 -10.604 1.00 5.10 H new ATOM 0 HE2 LYS A 50 10.149 11.115 -11.518 1.00 3.31 H new ATOM 0 HE3 LYS A 50 9.898 10.364 -9.955 1.00 3.31 H new ATOM 0 HZ1 LYS A 50 8.589 12.363 -10.187 1.00 70.44 H new ATOM 0 HZ2 LYS A 50 9.740 12.563 -8.955 1.00 70.44 H new ATOM 0 HZ3 LYS A 50 9.983 13.291 -10.470 1.00 70.44 H new ATOM 821 N GLN A 51 10.992 10.990 -4.454 1.00 1.12 N ATOM 822 CA GLN A 51 10.624 11.997 -3.416 1.00 14.23 C ATOM 823 C GLN A 51 10.808 11.426 -1.987 1.00 3.13 C ATOM 824 O GLN A 51 10.186 11.906 -1.027 1.00 41.13 O ATOM 825 CB GLN A 51 9.157 12.496 -3.637 1.00 20.53 C ATOM 826 CG GLN A 51 8.982 13.424 -4.858 1.00 42.32 C ATOM 827 CD GLN A 51 7.576 14.018 -5.015 1.00 52.12 C ATOM 828 OE1 GLN A 51 6.856 14.233 -4.042 1.00 53.04 O ATOM 829 NE2 GLN A 51 7.195 14.329 -6.243 1.00 63.53 N ATOM 0 H GLN A 51 10.520 10.094 -4.336 1.00 1.12 H new ATOM 0 HA GLN A 51 11.297 12.849 -3.516 1.00 14.23 H new ATOM 0 HB2 GLN A 51 8.505 11.631 -3.756 1.00 20.53 H new ATOM 0 HB3 GLN A 51 8.826 13.024 -2.743 1.00 20.53 H new ATOM 0 HG2 GLN A 51 9.700 14.240 -4.783 1.00 42.32 H new ATOM 0 HG3 GLN A 51 9.228 12.865 -5.761 1.00 42.32 H new ATOM 0 HE21 GLN A 51 7.813 14.139 -7.032 1.00 63.53 H new ATOM 0 HE22 GLN A 51 6.283 14.759 -6.401 1.00 63.53 H new ATOM 838 N GLY A 52 11.710 10.438 -1.857 1.00 51.43 N ATOM 839 CA GLY A 52 11.990 9.779 -0.572 1.00 54.10 C ATOM 840 C GLY A 52 13.037 10.511 0.242 1.00 63.10 C ATOM 841 O GLY A 52 14.178 10.046 0.374 1.00 30.11 O ATOM 0 H GLY A 52 12.262 10.076 -2.635 1.00 51.43 H new ATOM 0 HA2 GLY A 52 11.068 9.711 0.006 1.00 54.10 H new ATOM 0 HA3 GLY A 52 12.327 8.759 -0.757 1.00 54.10 H new ATOM 845 N CYS A 53 12.651 11.680 0.772 1.00 2.24 N ATOM 846 CA CYS A 53 13.512 12.483 1.646 1.00 41.11 C ATOM 847 C CYS A 53 13.643 11.808 3.022 1.00 42.43 C ATOM 848 O CYS A 53 14.728 11.364 3.412 1.00 61.22 O ATOM 849 CB CYS A 53 12.934 13.898 1.780 1.00 42.22 C ATOM 850 SG CYS A 53 12.628 14.704 0.202 1.00 12.21 S ATOM 0 H CYS A 53 11.734 12.094 0.606 1.00 2.24 H new ATOM 0 HA CYS A 53 14.508 12.556 1.209 1.00 41.11 H new ATOM 0 HB2 CYS A 53 12.000 13.848 2.340 1.00 42.22 H new ATOM 0 HB3 CYS A 53 13.623 14.509 2.363 1.00 42.22 H new ATOM 0 HG CYS A 53 12.327 15.952 0.404 1.00 12.21 H new ATOM 856 N LYS A 54 12.513 11.722 3.743 1.00 61.31 N ATOM 857 CA LYS A 54 12.426 11.027 5.032 1.00 24.11 C ATOM 858 C LYS A 54 11.956 9.575 4.770 1.00 44.13 C ATOM 859 O LYS A 54 12.776 8.695 4.474 1.00 10.20 O ATOM 860 CB LYS A 54 11.467 11.803 5.984 1.00 33.24 C ATOM 861 CG LYS A 54 11.827 13.282 6.238 1.00 10.04 C ATOM 862 CD LYS A 54 13.087 13.463 7.108 1.00 32.30 C ATOM 863 CE LYS A 54 13.380 14.941 7.430 1.00 32.23 C ATOM 864 NZ LYS A 54 13.772 15.710 6.224 1.00 22.43 N ATOM 0 H LYS A 54 11.630 12.136 3.444 1.00 61.31 H new ATOM 0 HA LYS A 54 13.397 10.989 5.526 1.00 24.11 H new ATOM 0 HB2 LYS A 54 10.460 11.760 5.569 1.00 33.24 H new ATOM 0 HB3 LYS A 54 11.440 11.285 6.943 1.00 33.24 H new ATOM 0 HG2 LYS A 54 11.980 13.781 5.281 1.00 10.04 H new ATOM 0 HG3 LYS A 54 10.985 13.775 6.723 1.00 10.04 H new ATOM 0 HD2 LYS A 54 12.963 12.910 8.039 1.00 32.30 H new ATOM 0 HD3 LYS A 54 13.945 13.031 6.593 1.00 32.30 H new ATOM 0 HE2 LYS A 54 12.496 15.396 7.877 1.00 32.23 H new ATOM 0 HE3 LYS A 54 14.178 14.999 8.171 1.00 32.23 H new ATOM 0 HZ1 LYS A 54 13.680 16.728 6.416 1.00 22.43 H new ATOM 0 HZ2 LYS A 54 14.759 15.492 5.979 1.00 22.43 H new ATOM 0 HZ3 LYS A 54 13.152 15.450 5.430 1.00 22.43 H new ATOM 878 N ARG A 55 10.623 9.347 4.848 1.00 3.12 N ATOM 879 CA ARG A 55 9.973 8.082 4.475 1.00 20.33 C ATOM 880 C ARG A 55 8.516 8.394 4.099 1.00 53.32 C ATOM 881 O ARG A 55 7.963 9.421 4.519 1.00 11.31 O ATOM 882 CB ARG A 55 10.056 6.998 5.629 1.00 71.13 C ATOM 883 CG ARG A 55 10.774 5.671 5.240 1.00 75.01 C ATOM 884 CD ARG A 55 10.074 4.892 4.101 1.00 51.42 C ATOM 885 NE ARG A 55 10.866 3.718 3.674 1.00 21.33 N ATOM 886 CZ ARG A 55 10.764 2.476 4.181 1.00 72.13 C ATOM 887 NH1 ARG A 55 9.901 2.198 5.152 1.00 30.33 N ATOM 888 NH2 ARG A 55 11.523 1.509 3.701 1.00 43.14 N ATOM 0 H ARG A 55 9.965 10.053 5.178 1.00 3.12 H new ATOM 0 HA ARG A 55 10.496 7.644 3.625 1.00 20.33 H new ATOM 0 HB2 ARG A 55 10.574 7.437 6.482 1.00 71.13 H new ATOM 0 HB3 ARG A 55 9.044 6.762 5.958 1.00 71.13 H new ATOM 0 HG2 ARG A 55 11.796 5.897 4.938 1.00 75.01 H new ATOM 0 HG3 ARG A 55 10.836 5.031 6.120 1.00 75.01 H new ATOM 0 HD2 ARG A 55 9.090 4.565 4.435 1.00 51.42 H new ATOM 0 HD3 ARG A 55 9.917 5.555 3.250 1.00 51.42 H new ATOM 0 HE ARG A 55 11.549 3.863 2.930 1.00 21.33 H new ATOM 0 HH11 ARG A 55 9.301 2.933 5.526 1.00 30.33 H new ATOM 0 HH12 ARG A 55 9.839 1.250 5.523 1.00 30.33 H new ATOM 0 HH21 ARG A 55 12.183 1.705 2.949 1.00 43.14 H new ATOM 0 HH22 ARG A 55 11.449 0.566 4.082 1.00 43.14 H new ATOM 902 N SER A 56 7.911 7.530 3.287 1.00 41.12 N ATOM 903 CA SER A 56 6.476 7.589 2.991 1.00 33.43 C ATOM 904 C SER A 56 5.693 6.730 4.003 1.00 50.41 C ATOM 905 O SER A 56 6.199 5.701 4.467 1.00 51.43 O ATOM 906 CB SER A 56 6.229 7.084 1.554 1.00 62.32 C ATOM 907 OG SER A 56 6.778 5.783 1.371 1.00 3.12 O ATOM 0 H SER A 56 8.399 6.769 2.815 1.00 41.12 H new ATOM 0 HA SER A 56 6.130 8.619 3.072 1.00 33.43 H new ATOM 0 HB2 SER A 56 5.158 7.063 1.351 1.00 62.32 H new ATOM 0 HB3 SER A 56 6.676 7.775 0.839 1.00 62.32 H new ATOM 0 HG SER A 56 6.178 5.116 1.765 1.00 3.12 H new ATOM 913 N ARG A 57 4.479 7.167 4.348 1.00 43.34 N ATOM 914 CA ARG A 57 3.490 6.350 5.062 1.00 22.12 C ATOM 915 C ARG A 57 2.346 6.062 4.090 1.00 23.44 C ATOM 916 O ARG A 57 1.621 6.979 3.705 1.00 45.12 O ATOM 917 CB ARG A 57 2.996 7.096 6.351 1.00 34.23 C ATOM 918 CG ARG A 57 1.927 6.348 7.214 1.00 3.25 C ATOM 919 CD ARG A 57 0.466 6.650 6.798 1.00 22.51 C ATOM 920 NE ARG A 57 -0.529 5.875 7.566 1.00 53.54 N ATOM 921 CZ ARG A 57 -1.680 6.363 8.062 1.00 51.43 C ATOM 922 NH1 ARG A 57 -2.010 7.648 7.905 1.00 13.50 N ATOM 923 NH2 ARG A 57 -2.516 5.550 8.692 1.00 44.02 N ATOM 0 H ARG A 57 4.150 8.109 4.138 1.00 43.34 H new ATOM 0 HA ARG A 57 3.925 5.409 5.398 1.00 22.12 H new ATOM 0 HB2 ARG A 57 3.862 7.302 6.981 1.00 34.23 H new ATOM 0 HB3 ARG A 57 2.582 8.059 6.052 1.00 34.23 H new ATOM 0 HG2 ARG A 57 2.101 5.274 7.141 1.00 3.25 H new ATOM 0 HG3 ARG A 57 2.061 6.623 8.260 1.00 3.25 H new ATOM 0 HD2 ARG A 57 0.270 7.714 6.931 1.00 22.51 H new ATOM 0 HD3 ARG A 57 0.345 6.434 5.737 1.00 22.51 H new ATOM 0 HE ARG A 57 -0.327 4.889 7.734 1.00 53.54 H new ATOM 0 HH11 ARG A 57 -1.385 8.277 7.402 1.00 13.50 H new ATOM 0 HH12 ARG A 57 -2.887 8.000 8.288 1.00 13.50 H new ATOM 0 HH21 ARG A 57 -2.284 4.562 8.798 1.00 44.02 H new ATOM 0 HH22 ARG A 57 -3.391 5.912 9.071 1.00 44.02 H new ATOM 937 N THR A 58 2.205 4.806 3.661 1.00 72.22 N ATOM 938 CA THR A 58 1.072 4.379 2.837 1.00 55.50 C ATOM 939 C THR A 58 0.124 3.542 3.698 1.00 11.34 C ATOM 940 O THR A 58 0.569 2.718 4.500 1.00 23.53 O ATOM 941 CB THR A 58 1.532 3.568 1.588 1.00 3.23 C ATOM 942 OG1 THR A 58 2.593 4.263 0.928 1.00 23.44 O ATOM 943 CG2 THR A 58 0.386 3.350 0.586 1.00 12.22 C ATOM 0 H THR A 58 2.868 4.061 3.873 1.00 72.22 H new ATOM 0 HA THR A 58 0.558 5.266 2.466 1.00 55.50 H new ATOM 0 HB THR A 58 1.868 2.593 1.940 1.00 3.23 H new ATOM 0 HG1 THR A 58 3.407 4.208 1.471 1.00 23.44 H new ATOM 0 HG21 THR A 58 0.753 2.781 -0.268 1.00 12.22 H new ATOM 0 HG22 THR A 58 -0.421 2.799 1.070 1.00 12.22 H new ATOM 0 HG23 THR A 58 0.012 4.315 0.245 1.00 12.22 H new ATOM 951 N SER A 59 -1.176 3.762 3.529 1.00 64.53 N ATOM 952 CA SER A 59 -2.214 3.086 4.289 1.00 20.40 C ATOM 953 C SER A 59 -3.303 2.601 3.318 1.00 63.53 C ATOM 954 O SER A 59 -3.917 3.408 2.619 1.00 25.34 O ATOM 955 CB SER A 59 -2.758 4.066 5.357 1.00 4.23 C ATOM 956 OG SER A 59 -3.129 5.316 4.790 1.00 21.22 O ATOM 0 H SER A 59 -1.541 4.427 2.847 1.00 64.53 H new ATOM 0 HA SER A 59 -1.827 2.210 4.809 1.00 20.40 H new ATOM 0 HB2 SER A 59 -3.622 3.621 5.852 1.00 4.23 H new ATOM 0 HB3 SER A 59 -1.999 4.226 6.123 1.00 4.23 H new ATOM 0 HG SER A 59 -3.469 5.907 5.494 1.00 21.22 H new ATOM 962 N ILE A 60 -3.521 1.274 3.273 1.00 41.01 N ATOM 963 CA ILE A 60 -4.481 0.623 2.352 1.00 24.12 C ATOM 964 C ILE A 60 -5.673 0.080 3.160 1.00 53.33 C ATOM 965 O ILE A 60 -5.470 -0.504 4.222 1.00 11.12 O ATOM 966 CB ILE A 60 -3.787 -0.550 1.548 1.00 30.05 C ATOM 967 CG1 ILE A 60 -2.626 0.001 0.659 1.00 30.54 C ATOM 968 CG2 ILE A 60 -4.800 -1.357 0.699 1.00 0.53 C ATOM 969 CD1 ILE A 60 -1.915 -1.045 -0.186 1.00 62.41 C ATOM 0 H ILE A 60 -3.033 0.614 3.879 1.00 41.01 H new ATOM 0 HA ILE A 60 -4.833 1.361 1.632 1.00 24.12 H new ATOM 0 HB ILE A 60 -3.366 -1.239 2.281 1.00 30.05 H new ATOM 0 HG12 ILE A 60 -3.027 0.769 -0.002 1.00 30.54 H new ATOM 0 HG13 ILE A 60 -1.893 0.486 1.304 1.00 30.54 H new ATOM 0 HG21 ILE A 60 -4.277 -2.151 0.166 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.555 -1.795 1.352 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -5.282 -0.694 -0.019 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -1.126 -0.568 -0.768 1.00 62.41 H new ATOM 0 HD12 ILE A 60 -1.478 -1.803 0.465 1.00 62.41 H new ATOM 0 HD13 ILE A 60 -2.630 -1.515 -0.861 1.00 62.41 H new ATOM 981 N THR A 61 -6.904 0.280 2.648 1.00 71.04 N ATOM 982 CA THR A 61 -8.134 -0.212 3.289 1.00 64.43 C ATOM 983 C THR A 61 -8.117 -1.763 3.382 1.00 54.33 C ATOM 984 O THR A 61 -8.037 -2.455 2.360 1.00 34.34 O ATOM 985 CB THR A 61 -9.385 0.282 2.494 1.00 23.40 C ATOM 986 OG1 THR A 61 -9.301 1.706 2.306 1.00 72.45 O ATOM 987 CG2 THR A 61 -10.708 -0.059 3.196 1.00 0.02 C ATOM 0 H THR A 61 -7.070 0.787 1.779 1.00 71.04 H new ATOM 0 HA THR A 61 -8.187 0.186 4.302 1.00 64.43 H new ATOM 0 HB THR A 61 -9.382 -0.236 1.535 1.00 23.40 H new ATOM 0 HG1 THR A 61 -10.151 2.040 1.951 1.00 72.45 H new ATOM 0 HG21 THR A 61 -11.542 0.308 2.598 1.00 0.02 H new ATOM 0 HG22 THR A 61 -10.791 -1.140 3.310 1.00 0.02 H new ATOM 0 HG23 THR A 61 -10.731 0.412 4.179 1.00 0.02 H new ATOM 995 N ALA A 62 -8.149 -2.269 4.626 1.00 52.24 N ATOM 996 CA ALA A 62 -8.045 -3.695 4.955 1.00 12.11 C ATOM 997 C ALA A 62 -8.667 -3.914 6.347 1.00 41.23 C ATOM 998 O ALA A 62 -8.014 -3.662 7.362 1.00 32.20 O ATOM 999 CB ALA A 62 -6.562 -4.123 4.924 1.00 22.33 C ATOM 0 H ALA A 62 -8.251 -1.678 5.451 1.00 52.24 H new ATOM 0 HA ALA A 62 -8.581 -4.305 4.228 1.00 12.11 H new ATOM 0 HB1 ALA A 62 -6.484 -5.182 5.168 1.00 22.33 H new ATOM 0 HB2 ALA A 62 -6.154 -3.949 3.928 1.00 22.33 H new ATOM 0 HB3 ALA A 62 -6.000 -3.540 5.653 1.00 22.33 H new ATOM 1005 N ARG A 63 -9.949 -4.335 6.391 1.00 1.04 N ATOM 1006 CA ARG A 63 -10.745 -4.358 7.650 1.00 13.01 C ATOM 1007 C ARG A 63 -10.821 -5.748 8.297 1.00 73.41 C ATOM 1008 O ARG A 63 -11.025 -5.848 9.513 1.00 44.25 O ATOM 1009 CB ARG A 63 -12.164 -3.765 7.425 1.00 22.53 C ATOM 1010 CG ARG A 63 -12.910 -4.276 6.183 1.00 71.31 C ATOM 1011 CD ARG A 63 -14.347 -3.731 6.076 1.00 74.40 C ATOM 1012 NE ARG A 63 -15.232 -4.298 7.110 1.00 71.42 N ATOM 1013 CZ ARG A 63 -16.556 -4.502 6.980 1.00 20.00 C ATOM 1014 NH1 ARG A 63 -17.199 -4.169 5.860 1.00 11.21 N ATOM 1015 NH2 ARG A 63 -17.227 -5.073 7.973 1.00 54.12 N ATOM 0 H ARG A 63 -10.460 -4.665 5.572 1.00 1.04 H new ATOM 0 HA ARG A 63 -10.211 -3.724 8.358 1.00 13.01 H new ATOM 0 HB2 ARG A 63 -12.771 -3.979 8.305 1.00 22.53 H new ATOM 0 HB3 ARG A 63 -12.078 -2.681 7.354 1.00 22.53 H new ATOM 0 HG2 ARG A 63 -12.353 -3.993 5.290 1.00 71.31 H new ATOM 0 HG3 ARG A 63 -12.942 -5.365 6.208 1.00 71.31 H new ATOM 0 HD2 ARG A 63 -14.331 -2.645 6.169 1.00 74.40 H new ATOM 0 HD3 ARG A 63 -14.749 -3.961 5.089 1.00 74.40 H new ATOM 0 HE ARG A 63 -14.805 -4.558 7.999 1.00 71.42 H new ATOM 0 HH11 ARG A 63 -16.687 -3.752 5.083 1.00 11.21 H new ATOM 0 HH12 ARG A 63 -18.203 -4.332 5.781 1.00 11.21 H new ATOM 0 HH21 ARG A 63 -16.739 -5.352 8.824 1.00 54.12 H new ATOM 0 HH22 ARG A 63 -18.231 -5.232 7.885 1.00 54.12 H new ATOM 1029 N THR A 64 -10.694 -6.815 7.502 1.00 34.32 N ATOM 1030 CA THR A 64 -10.605 -8.193 8.037 1.00 62.55 C ATOM 1031 C THR A 64 -9.128 -8.622 8.141 1.00 52.24 C ATOM 1032 O THR A 64 -8.255 -7.987 7.532 1.00 44.52 O ATOM 1033 CB THR A 64 -11.400 -9.213 7.156 1.00 12.34 C ATOM 1034 OG1 THR A 64 -10.820 -9.313 5.850 1.00 41.22 O ATOM 1035 CG2 THR A 64 -12.888 -8.821 7.034 1.00 42.40 C ATOM 0 H THR A 64 -10.650 -6.759 6.484 1.00 34.32 H new ATOM 0 HA THR A 64 -11.057 -8.193 9.029 1.00 62.55 H new ATOM 0 HB THR A 64 -11.341 -10.182 7.652 1.00 12.34 H new ATOM 0 HG1 THR A 64 -11.329 -9.956 5.314 1.00 41.22 H new ATOM 0 HG21 THR A 64 -13.407 -9.553 6.415 1.00 42.40 H new ATOM 0 HG22 THR A 64 -13.341 -8.798 8.025 1.00 42.40 H new ATOM 0 HG23 THR A 64 -12.968 -7.835 6.575 1.00 42.40 H new ATOM 1043 N LYS A 65 -8.869 -9.701 8.912 1.00 61.11 N ATOM 1044 CA LYS A 65 -7.521 -10.285 9.084 1.00 52.20 C ATOM 1045 C LYS A 65 -6.939 -10.750 7.736 1.00 61.41 C ATOM 1046 O LYS A 65 -5.739 -10.612 7.496 1.00 62.12 O ATOM 1047 CB LYS A 65 -7.571 -11.471 10.091 1.00 61.43 C ATOM 1048 CG LYS A 65 -8.506 -12.637 9.674 1.00 4.53 C ATOM 1049 CD LYS A 65 -8.435 -13.850 10.633 1.00 24.32 C ATOM 1050 CE LYS A 65 -8.831 -13.515 12.082 1.00 42.51 C ATOM 1051 NZ LYS A 65 -8.678 -14.691 12.985 1.00 41.45 N ATOM 0 H LYS A 65 -9.593 -10.194 9.435 1.00 61.11 H new ATOM 0 HA LYS A 65 -6.866 -9.510 9.483 1.00 52.20 H new ATOM 0 HB2 LYS A 65 -6.562 -11.862 10.222 1.00 61.43 H new ATOM 0 HB3 LYS A 65 -7.895 -11.093 11.061 1.00 61.43 H new ATOM 0 HG2 LYS A 65 -9.533 -12.274 9.634 1.00 4.53 H new ATOM 0 HG3 LYS A 65 -8.243 -12.962 8.667 1.00 4.53 H new ATOM 0 HD2 LYS A 65 -9.090 -14.637 10.259 1.00 24.32 H new ATOM 0 HD3 LYS A 65 -7.421 -14.249 10.626 1.00 24.32 H new ATOM 0 HE2 LYS A 65 -8.213 -12.694 12.447 1.00 42.51 H new ATOM 0 HE3 LYS A 65 -9.865 -13.171 12.106 1.00 42.51 H new ATOM 0 HZ1 LYS A 65 -8.954 -14.425 13.952 1.00 41.45 H new ATOM 0 HZ2 LYS A 65 -9.286 -15.466 12.652 1.00 41.45 H new ATOM 0 HZ3 LYS A 65 -7.686 -15.004 12.982 1.00 41.45 H new ATOM 1065 N LYS A 66 -7.825 -11.255 6.858 1.00 44.22 N ATOM 1066 CA LYS A 66 -7.454 -11.769 5.535 1.00 22.14 C ATOM 1067 C LYS A 66 -6.924 -10.639 4.652 1.00 61.53 C ATOM 1068 O LYS A 66 -5.863 -10.774 4.038 1.00 73.03 O ATOM 1069 CB LYS A 66 -8.676 -12.458 4.877 1.00 41.25 C ATOM 1070 CG LYS A 66 -9.218 -13.672 5.671 1.00 54.23 C ATOM 1071 CD LYS A 66 -8.176 -14.807 5.826 1.00 10.34 C ATOM 1072 CE LYS A 66 -7.787 -15.450 4.480 1.00 35.10 C ATOM 1073 NZ LYS A 66 -8.920 -16.179 3.852 1.00 23.34 N ATOM 0 H LYS A 66 -8.824 -11.316 7.052 1.00 44.22 H new ATOM 0 HA LYS A 66 -6.659 -12.506 5.650 1.00 22.14 H new ATOM 0 HB2 LYS A 66 -9.475 -11.726 4.763 1.00 41.25 H new ATOM 0 HB3 LYS A 66 -8.399 -12.786 3.875 1.00 41.25 H new ATOM 0 HG2 LYS A 66 -9.536 -13.340 6.660 1.00 54.23 H new ATOM 0 HG3 LYS A 66 -10.102 -14.064 5.167 1.00 54.23 H new ATOM 0 HD2 LYS A 66 -7.281 -14.409 6.305 1.00 10.34 H new ATOM 0 HD3 LYS A 66 -8.578 -15.575 6.487 1.00 10.34 H new ATOM 0 HE2 LYS A 66 -7.435 -14.675 3.799 1.00 35.10 H new ATOM 0 HE3 LYS A 66 -6.957 -16.139 4.636 1.00 35.10 H new ATOM 0 HZ1 LYS A 66 -8.588 -16.664 2.994 1.00 23.34 H new ATOM 0 HZ2 LYS A 66 -9.296 -16.880 4.522 1.00 23.34 H new ATOM 0 HZ3 LYS A 66 -9.670 -15.504 3.600 1.00 23.34 H new ATOM 1087 N GLU A 67 -7.667 -9.515 4.640 1.00 34.03 N ATOM 1088 CA GLU A 67 -7.289 -8.295 3.910 1.00 40.40 C ATOM 1089 C GLU A 67 -6.013 -7.672 4.489 1.00 41.15 C ATOM 1090 O GLU A 67 -5.172 -7.146 3.750 1.00 10.25 O ATOM 1091 CB GLU A 67 -8.453 -7.291 3.942 1.00 11.43 C ATOM 1092 CG GLU A 67 -9.720 -7.794 3.236 1.00 13.51 C ATOM 1093 CD GLU A 67 -10.874 -6.796 3.328 1.00 32.23 C ATOM 1094 OE1 GLU A 67 -11.346 -6.554 4.458 1.00 63.43 O ATOM 1095 OE2 GLU A 67 -11.294 -6.234 2.290 1.00 54.34 O ATOM 0 H GLU A 67 -8.552 -9.430 5.141 1.00 34.03 H new ATOM 0 HA GLU A 67 -7.078 -8.561 2.874 1.00 40.40 H new ATOM 0 HB2 GLU A 67 -8.693 -7.060 4.980 1.00 11.43 H new ATOM 0 HB3 GLU A 67 -8.132 -6.360 3.474 1.00 11.43 H new ATOM 0 HG2 GLU A 67 -9.495 -7.989 2.188 1.00 13.51 H new ATOM 0 HG3 GLU A 67 -10.027 -8.742 3.678 1.00 13.51 H new ATOM 1102 N ALA A 68 -5.879 -7.780 5.820 1.00 25.32 N ATOM 1103 CA ALA A 68 -4.717 -7.270 6.559 1.00 62.32 C ATOM 1104 C ALA A 68 -3.432 -8.049 6.229 1.00 52.33 C ATOM 1105 O ALA A 68 -2.337 -7.551 6.466 1.00 44.34 O ATOM 1106 CB ALA A 68 -5.003 -7.303 8.062 1.00 62.41 C ATOM 0 H ALA A 68 -6.577 -8.226 6.415 1.00 25.32 H new ATOM 0 HA ALA A 68 -4.549 -6.239 6.248 1.00 62.32 H new ATOM 0 HB1 ALA A 68 -4.138 -6.924 8.605 1.00 62.41 H new ATOM 0 HB2 ALA A 68 -5.871 -6.681 8.281 1.00 62.41 H new ATOM 0 HB3 ALA A 68 -5.205 -8.328 8.372 1.00 62.41 H new ATOM 1112 N GLU A 69 -3.585 -9.280 5.717 1.00 74.30 N ATOM 1113 CA GLU A 69 -2.464 -10.106 5.230 1.00 52.31 C ATOM 1114 C GLU A 69 -2.137 -9.753 3.762 1.00 45.22 C ATOM 1115 O GLU A 69 -1.028 -9.311 3.456 1.00 13.13 O ATOM 1116 CB GLU A 69 -2.835 -11.614 5.352 1.00 33.22 C ATOM 1117 CG GLU A 69 -2.990 -12.135 6.799 1.00 65.31 C ATOM 1118 CD GLU A 69 -3.577 -13.552 6.869 1.00 31.33 C ATOM 1119 OE1 GLU A 69 -4.801 -13.706 6.659 1.00 72.24 O ATOM 1120 OE2 GLU A 69 -2.827 -14.525 7.125 1.00 70.34 O ATOM 0 H GLU A 69 -4.494 -9.735 5.628 1.00 74.30 H new ATOM 0 HA GLU A 69 -1.582 -9.905 5.838 1.00 52.31 H new ATOM 0 HB2 GLU A 69 -3.769 -11.787 4.818 1.00 33.22 H new ATOM 0 HB3 GLU A 69 -2.067 -12.203 4.850 1.00 33.22 H new ATOM 0 HG2 GLU A 69 -2.016 -12.127 7.288 1.00 65.31 H new ATOM 0 HG3 GLU A 69 -3.632 -11.454 7.357 1.00 65.31 H new ATOM 1127 N LYS A 70 -3.152 -9.910 2.886 1.00 31.33 N ATOM 1128 CA LYS A 70 -2.983 -9.891 1.413 1.00 13.24 C ATOM 1129 C LYS A 70 -2.614 -8.486 0.861 1.00 60.50 C ATOM 1130 O LYS A 70 -1.677 -8.371 0.063 1.00 51.25 O ATOM 1131 CB LYS A 70 -4.269 -10.466 0.734 1.00 51.01 C ATOM 1132 CG LYS A 70 -5.575 -9.693 1.050 1.00 11.32 C ATOM 1133 CD LYS A 70 -6.893 -10.501 0.840 1.00 22.44 C ATOM 1134 CE LYS A 70 -7.360 -10.594 -0.617 1.00 22.43 C ATOM 1135 NZ LYS A 70 -6.461 -11.397 -1.485 1.00 31.35 N ATOM 0 H LYS A 70 -4.118 -10.054 3.180 1.00 31.33 H new ATOM 0 HA LYS A 70 -2.134 -10.527 1.165 1.00 13.24 H new ATOM 0 HB2 LYS A 70 -4.120 -10.473 -0.346 1.00 51.01 H new ATOM 0 HB3 LYS A 70 -4.394 -11.503 1.045 1.00 51.01 H new ATOM 0 HG2 LYS A 70 -5.536 -9.355 2.085 1.00 11.32 H new ATOM 0 HG3 LYS A 70 -5.611 -8.801 0.424 1.00 11.32 H new ATOM 0 HD2 LYS A 70 -6.751 -11.510 1.227 1.00 22.44 H new ATOM 0 HD3 LYS A 70 -7.684 -10.041 1.432 1.00 22.44 H new ATOM 0 HE2 LYS A 70 -8.358 -11.031 -0.641 1.00 22.43 H new ATOM 0 HE3 LYS A 70 -7.442 -9.588 -1.027 1.00 22.43 H new ATOM 0 HZ1 LYS A 70 -5.983 -10.770 -2.164 1.00 31.35 H new ATOM 0 HZ2 LYS A 70 -5.750 -11.878 -0.898 1.00 31.35 H new ATOM 0 HZ3 LYS A 70 -7.020 -12.106 -2.002 1.00 31.35 H new ATOM 1149 N PHE A 71 -3.335 -7.429 1.303 1.00 14.34 N ATOM 1150 CA PHE A 71 -3.126 -6.041 0.812 1.00 31.13 C ATOM 1151 C PHE A 71 -1.834 -5.446 1.383 1.00 2.35 C ATOM 1152 O PHE A 71 -1.114 -4.703 0.694 1.00 63.23 O ATOM 1153 CB PHE A 71 -4.335 -5.129 1.177 1.00 61.42 C ATOM 1154 CG PHE A 71 -5.687 -5.565 0.587 1.00 52.11 C ATOM 1155 CD1 PHE A 71 -5.760 -6.305 -0.594 1.00 61.44 C ATOM 1156 CD2 PHE A 71 -6.886 -5.228 1.214 1.00 23.21 C ATOM 1157 CE1 PHE A 71 -6.974 -6.691 -1.114 1.00 64.41 C ATOM 1158 CE2 PHE A 71 -8.102 -5.617 0.682 1.00 30.24 C ATOM 1159 CZ PHE A 71 -8.143 -6.350 -0.480 1.00 55.44 C ATOM 0 H PHE A 71 -4.072 -7.510 2.003 1.00 14.34 H new ATOM 0 HA PHE A 71 -3.041 -6.088 -0.274 1.00 31.13 H new ATOM 0 HB2 PHE A 71 -4.426 -5.091 2.263 1.00 61.42 H new ATOM 0 HB3 PHE A 71 -4.120 -4.115 0.839 1.00 61.42 H new ATOM 0 HD1 PHE A 71 -4.850 -6.579 -1.107 1.00 61.44 H new ATOM 0 HD2 PHE A 71 -6.865 -4.655 2.129 1.00 23.21 H new ATOM 0 HE1 PHE A 71 -7.008 -7.266 -2.027 1.00 64.41 H new ATOM 0 HE2 PHE A 71 -9.021 -5.344 1.180 1.00 30.24 H new ATOM 0 HZ PHE A 71 -9.092 -6.657 -0.893 1.00 55.44 H new ATOM 1169 N ALA A 72 -1.558 -5.795 2.653 1.00 51.20 N ATOM 1170 CA ALA A 72 -0.335 -5.378 3.345 1.00 55.02 C ATOM 1171 C ALA A 72 0.898 -6.040 2.719 1.00 24.23 C ATOM 1172 O ALA A 72 1.925 -5.398 2.609 1.00 10.24 O ATOM 1173 CB ALA A 72 -0.419 -5.690 4.837 1.00 25.03 C ATOM 0 H ALA A 72 -2.177 -6.372 3.222 1.00 51.20 H new ATOM 0 HA ALA A 72 -0.235 -4.299 3.231 1.00 55.02 H new ATOM 0 HB1 ALA A 72 0.501 -5.371 5.328 1.00 25.03 H new ATOM 0 HB2 ALA A 72 -1.266 -5.159 5.273 1.00 25.03 H new ATOM 0 HB3 ALA A 72 -0.552 -6.763 4.977 1.00 25.03 H new ATOM 1179 N ALA A 73 0.758 -7.310 2.276 1.00 23.23 N ATOM 1180 CA ALA A 73 1.864 -8.074 1.650 1.00 50.34 C ATOM 1181 C ALA A 73 2.357 -7.388 0.359 1.00 3.22 C ATOM 1182 O ALA A 73 3.567 -7.237 0.150 1.00 41.24 O ATOM 1183 CB ALA A 73 1.422 -9.517 1.357 1.00 20.32 C ATOM 0 H ALA A 73 -0.116 -7.831 2.341 1.00 23.23 H new ATOM 0 HA ALA A 73 2.695 -8.099 2.355 1.00 50.34 H new ATOM 0 HB1 ALA A 73 2.246 -10.064 0.898 1.00 20.32 H new ATOM 0 HB2 ALA A 73 1.136 -10.006 2.288 1.00 20.32 H new ATOM 0 HB3 ALA A 73 0.570 -9.506 0.677 1.00 20.32 H new ATOM 1189 N ILE A 74 1.385 -6.944 -0.471 1.00 14.14 N ATOM 1190 CA ILE A 74 1.639 -6.193 -1.722 1.00 32.43 C ATOM 1191 C ILE A 74 2.380 -4.866 -1.406 1.00 20.13 C ATOM 1192 O ILE A 74 3.283 -4.456 -2.140 1.00 33.13 O ATOM 1193 CB ILE A 74 0.281 -5.893 -2.488 1.00 33.54 C ATOM 1194 CG1 ILE A 74 -0.509 -7.219 -2.769 1.00 5.13 C ATOM 1195 CG2 ILE A 74 0.522 -5.111 -3.808 1.00 11.00 C ATOM 1196 CD1 ILE A 74 -1.915 -7.033 -3.342 1.00 11.23 C ATOM 0 H ILE A 74 0.393 -7.099 -0.289 1.00 14.14 H new ATOM 0 HA ILE A 74 2.267 -6.806 -2.368 1.00 32.43 H new ATOM 0 HB ILE A 74 -0.323 -5.261 -1.837 1.00 33.54 H new ATOM 0 HG12 ILE A 74 0.071 -7.828 -3.463 1.00 5.13 H new ATOM 0 HG13 ILE A 74 -0.585 -7.781 -1.838 1.00 5.13 H new ATOM 0 HG21 ILE A 74 -0.432 -4.926 -4.301 1.00 11.00 H new ATOM 0 HG22 ILE A 74 1.005 -4.160 -3.584 1.00 11.00 H new ATOM 0 HG23 ILE A 74 1.163 -5.697 -4.466 1.00 11.00 H new ATOM 0 HD11 ILE A 74 -2.375 -8.008 -3.500 1.00 11.23 H new ATOM 0 HD12 ILE A 74 -2.519 -6.455 -2.643 1.00 11.23 H new ATOM 0 HD13 ILE A 74 -1.853 -6.503 -4.292 1.00 11.23 H new ATOM 1208 N LEU A 75 2.009 -4.239 -0.268 1.00 33.00 N ATOM 1209 CA LEU A 75 2.563 -2.939 0.160 1.00 75.24 C ATOM 1210 C LEU A 75 3.950 -3.098 0.844 1.00 41.23 C ATOM 1211 O LEU A 75 4.792 -2.188 0.767 1.00 45.41 O ATOM 1212 CB LEU A 75 1.549 -2.218 1.088 1.00 51.14 C ATOM 1213 CG LEU A 75 1.853 -0.721 1.404 1.00 10.12 C ATOM 1214 CD1 LEU A 75 2.004 0.110 0.106 1.00 31.44 C ATOM 1215 CD2 LEU A 75 0.777 -0.127 2.347 1.00 43.25 C ATOM 0 H LEU A 75 1.318 -4.621 0.378 1.00 33.00 H new ATOM 0 HA LEU A 75 2.724 -2.325 -0.726 1.00 75.24 H new ATOM 0 HB2 LEU A 75 0.562 -2.278 0.630 1.00 51.14 H new ATOM 0 HB3 LEU A 75 1.498 -2.764 2.030 1.00 51.14 H new ATOM 0 HG LEU A 75 2.809 -0.673 1.925 1.00 10.12 H new ATOM 0 HD11 LEU A 75 2.215 1.148 0.361 1.00 31.44 H new ATOM 0 HD12 LEU A 75 2.824 -0.291 -0.490 1.00 31.44 H new ATOM 0 HD13 LEU A 75 1.079 0.059 -0.469 1.00 31.44 H new ATOM 0 HD21 LEU A 75 1.010 0.918 2.553 1.00 43.25 H new ATOM 0 HD22 LEU A 75 -0.201 -0.193 1.870 1.00 43.25 H new ATOM 0 HD23 LEU A 75 0.764 -0.687 3.282 1.00 43.25 H new ATOM 1227 N ILE A 76 4.190 -4.269 1.480 1.00 62.34 N ATOM 1228 CA ILE A 76 5.511 -4.623 2.047 1.00 31.20 C ATOM 1229 C ILE A 76 6.514 -4.750 0.892 1.00 3.45 C ATOM 1230 O ILE A 76 7.639 -4.279 1.011 1.00 33.41 O ATOM 1231 CB ILE A 76 5.464 -5.949 2.954 1.00 12.03 C ATOM 1232 CG1 ILE A 76 5.275 -5.606 4.476 1.00 11.13 C ATOM 1233 CG2 ILE A 76 6.706 -6.871 2.781 1.00 71.13 C ATOM 1234 CD1 ILE A 76 3.998 -4.879 4.838 1.00 74.23 C ATOM 0 H ILE A 76 3.480 -4.989 1.613 1.00 62.34 H new ATOM 0 HA ILE A 76 5.829 -3.830 2.724 1.00 31.20 H new ATOM 0 HB ILE A 76 4.596 -6.502 2.594 1.00 12.03 H new ATOM 0 HG12 ILE A 76 5.315 -6.535 5.045 1.00 11.13 H new ATOM 0 HG13 ILE A 76 6.120 -4.998 4.799 1.00 11.13 H new ATOM 0 HG21 ILE A 76 6.603 -7.745 3.424 1.00 71.13 H new ATOM 0 HG22 ILE A 76 6.779 -7.192 1.742 1.00 71.13 H new ATOM 0 HG23 ILE A 76 7.607 -6.323 3.056 1.00 71.13 H new ATOM 0 HD11 ILE A 76 3.976 -4.695 5.912 1.00 74.23 H new ATOM 0 HD12 ILE A 76 3.957 -3.928 4.306 1.00 74.23 H new ATOM 0 HD13 ILE A 76 3.140 -5.489 4.557 1.00 74.23 H new ATOM 1246 N LYS A 77 6.056 -5.352 -0.235 1.00 65.00 N ATOM 1247 CA LYS A 77 6.855 -5.472 -1.471 1.00 10.35 C ATOM 1248 C LYS A 77 7.277 -4.084 -2.003 1.00 61.14 C ATOM 1249 O LYS A 77 8.443 -3.883 -2.315 1.00 54.03 O ATOM 1250 CB LYS A 77 6.073 -6.241 -2.560 1.00 13.14 C ATOM 1251 CG LYS A 77 5.750 -7.714 -2.216 1.00 22.53 C ATOM 1252 CD LYS A 77 4.966 -8.415 -3.355 1.00 45.54 C ATOM 1253 CE LYS A 77 5.758 -8.457 -4.677 1.00 54.31 C ATOM 1254 NZ LYS A 77 4.957 -9.005 -5.803 1.00 74.41 N ATOM 0 H LYS A 77 5.126 -5.765 -0.308 1.00 65.00 H new ATOM 0 HA LYS A 77 7.756 -6.033 -1.224 1.00 10.35 H new ATOM 0 HB2 LYS A 77 5.138 -5.716 -2.754 1.00 13.14 H new ATOM 0 HB3 LYS A 77 6.649 -6.218 -3.485 1.00 13.14 H new ATOM 0 HG2 LYS A 77 6.678 -8.255 -2.028 1.00 22.53 H new ATOM 0 HG3 LYS A 77 5.166 -7.752 -1.296 1.00 22.53 H new ATOM 0 HD2 LYS A 77 4.720 -9.432 -3.050 1.00 45.54 H new ATOM 0 HD3 LYS A 77 4.022 -7.894 -3.517 1.00 45.54 H new ATOM 0 HE2 LYS A 77 6.092 -7.450 -4.929 1.00 54.31 H new ATOM 0 HE3 LYS A 77 6.652 -9.065 -4.542 1.00 54.31 H new ATOM 0 HZ1 LYS A 77 5.534 -9.012 -6.668 1.00 74.41 H new ATOM 0 HZ2 LYS A 77 4.659 -9.976 -5.577 1.00 74.41 H new ATOM 0 HZ3 LYS A 77 4.116 -8.411 -5.952 1.00 74.41 H new ATOM 1268 N VAL A 78 6.309 -3.136 -2.051 1.00 43.02 N ATOM 1269 CA VAL A 78 6.539 -1.737 -2.503 1.00 14.31 C ATOM 1270 C VAL A 78 7.700 -1.092 -1.713 1.00 35.01 C ATOM 1271 O VAL A 78 8.640 -0.542 -2.294 1.00 12.41 O ATOM 1272 CB VAL A 78 5.221 -0.880 -2.331 1.00 31.43 C ATOM 1273 CG1 VAL A 78 5.429 0.616 -2.675 1.00 52.10 C ATOM 1274 CG2 VAL A 78 4.074 -1.475 -3.175 1.00 2.24 C ATOM 0 H VAL A 78 5.344 -3.318 -1.777 1.00 43.02 H new ATOM 0 HA VAL A 78 6.809 -1.759 -3.559 1.00 14.31 H new ATOM 0 HB VAL A 78 4.951 -0.926 -1.276 1.00 31.43 H new ATOM 0 HG11 VAL A 78 4.491 1.154 -2.539 1.00 52.10 H new ATOM 0 HG12 VAL A 78 6.189 1.038 -2.017 1.00 52.10 H new ATOM 0 HG13 VAL A 78 5.754 0.709 -3.711 1.00 52.10 H new ATOM 0 HG21 VAL A 78 3.175 -0.872 -3.044 1.00 2.24 H new ATOM 0 HG22 VAL A 78 4.359 -1.477 -4.227 1.00 2.24 H new ATOM 0 HG23 VAL A 78 3.876 -2.497 -2.851 1.00 2.24 H new ATOM 1284 N TYR A 79 7.624 -1.233 -0.383 1.00 20.15 N ATOM 1285 CA TYR A 79 8.625 -0.687 0.555 1.00 71.22 C ATOM 1286 C TYR A 79 9.932 -1.508 0.575 1.00 70.04 C ATOM 1287 O TYR A 79 10.991 -0.966 0.902 1.00 71.13 O ATOM 1288 CB TYR A 79 8.001 -0.596 1.975 1.00 64.24 C ATOM 1289 CG TYR A 79 7.100 0.627 2.171 1.00 64.02 C ATOM 1290 CD1 TYR A 79 5.886 0.759 1.487 1.00 63.04 C ATOM 1291 CD2 TYR A 79 7.483 1.670 3.015 1.00 52.41 C ATOM 1292 CE1 TYR A 79 5.096 1.877 1.654 1.00 12.44 C ATOM 1293 CE2 TYR A 79 6.701 2.781 3.177 1.00 61.01 C ATOM 1294 CZ TYR A 79 5.512 2.883 2.496 1.00 54.31 C ATOM 1295 OH TYR A 79 4.741 4.002 2.657 1.00 33.11 O ATOM 0 H TYR A 79 6.863 -1.731 0.079 1.00 20.15 H new ATOM 0 HA TYR A 79 8.900 0.310 0.210 1.00 71.22 H new ATOM 0 HB2 TYR A 79 7.421 -1.499 2.166 1.00 64.24 H new ATOM 0 HB3 TYR A 79 8.802 -0.569 2.714 1.00 64.24 H new ATOM 0 HD1 TYR A 79 5.563 -0.026 0.819 1.00 63.04 H new ATOM 0 HD2 TYR A 79 8.417 1.599 3.552 1.00 52.41 H new ATOM 0 HE1 TYR A 79 4.157 1.963 1.127 1.00 12.44 H new ATOM 0 HE2 TYR A 79 7.017 3.575 3.838 1.00 61.01 H new ATOM 0 HH TYR A 79 4.853 4.348 3.567 1.00 33.11 H new ATOM 1305 N ALA A 80 9.854 -2.798 0.218 1.00 51.41 N ATOM 1306 CA ALA A 80 11.009 -3.718 0.264 1.00 35.42 C ATOM 1307 C ALA A 80 11.931 -3.506 -0.942 1.00 32.14 C ATOM 1308 O ALA A 80 13.156 -3.548 -0.804 1.00 23.33 O ATOM 1309 CB ALA A 80 10.529 -5.171 0.321 1.00 51.50 C ATOM 0 H ALA A 80 8.993 -3.236 -0.110 1.00 51.41 H new ATOM 0 HA ALA A 80 11.580 -3.501 1.167 1.00 35.42 H new ATOM 0 HB1 ALA A 80 11.391 -5.838 0.354 1.00 51.50 H new ATOM 0 HB2 ALA A 80 9.921 -5.319 1.214 1.00 51.50 H new ATOM 0 HB3 ALA A 80 9.933 -5.392 -0.564 1.00 51.50 H new ATOM 1315 N GLU A 81 11.316 -3.269 -2.115 1.00 22.30 N ATOM 1316 CA GLU A 81 12.033 -3.007 -3.383 1.00 13.14 C ATOM 1317 C GLU A 81 12.780 -1.666 -3.316 1.00 64.24 C ATOM 1318 O GLU A 81 13.857 -1.516 -3.901 1.00 52.22 O ATOM 1319 CB GLU A 81 11.030 -3.008 -4.562 1.00 74.55 C ATOM 1320 CG GLU A 81 10.329 -4.364 -4.795 1.00 63.12 C ATOM 1321 CD GLU A 81 9.197 -4.283 -5.832 1.00 62.54 C ATOM 1322 OE1 GLU A 81 9.471 -4.456 -7.040 1.00 3.34 O ATOM 1323 OE2 GLU A 81 8.032 -4.015 -5.454 1.00 44.22 O ATOM 0 H GLU A 81 10.301 -3.253 -2.214 1.00 22.30 H new ATOM 0 HA GLU A 81 12.767 -3.797 -3.541 1.00 13.14 H new ATOM 0 HB2 GLU A 81 10.272 -2.246 -4.380 1.00 74.55 H new ATOM 0 HB3 GLU A 81 11.557 -2.723 -5.473 1.00 74.55 H new ATOM 0 HG2 GLU A 81 11.066 -5.096 -5.126 1.00 63.12 H new ATOM 0 HG3 GLU A 81 9.924 -4.725 -3.850 1.00 63.12 H new ATOM 1330 N LEU A 82 12.183 -0.689 -2.610 1.00 3.23 N ATOM 1331 CA LEU A 82 12.842 0.594 -2.309 1.00 10.35 C ATOM 1332 C LEU A 82 13.858 0.418 -1.172 1.00 71.13 C ATOM 1333 O LEU A 82 14.882 1.100 -1.143 1.00 23.54 O ATOM 1334 CB LEU A 82 11.775 1.657 -1.928 1.00 34.24 C ATOM 1335 CG LEU A 82 10.700 1.940 -3.016 1.00 53.45 C ATOM 1336 CD1 LEU A 82 9.671 2.976 -2.531 1.00 40.33 C ATOM 1337 CD2 LEU A 82 11.352 2.358 -4.353 1.00 31.21 C ATOM 0 H LEU A 82 11.238 -0.765 -2.235 1.00 3.23 H new ATOM 0 HA LEU A 82 13.377 0.935 -3.195 1.00 10.35 H new ATOM 0 HB2 LEU A 82 11.270 1.331 -1.018 1.00 34.24 H new ATOM 0 HB3 LEU A 82 12.285 2.591 -1.693 1.00 34.24 H new ATOM 0 HG LEU A 82 10.159 1.012 -3.198 1.00 53.45 H new ATOM 0 HD11 LEU A 82 8.934 3.151 -3.315 1.00 40.33 H new ATOM 0 HD12 LEU A 82 9.170 2.601 -1.639 1.00 40.33 H new ATOM 0 HD13 LEU A 82 10.179 3.911 -2.295 1.00 40.33 H new ATOM 0 HD21 LEU A 82 10.575 2.549 -5.093 1.00 31.21 H new ATOM 0 HD22 LEU A 82 11.941 3.263 -4.203 1.00 31.21 H new ATOM 0 HD23 LEU A 82 12.001 1.557 -4.707 1.00 31.21 H new ATOM 1349 N GLY A 83 13.562 -0.540 -0.271 1.00 4.21 N ATOM 1350 CA GLY A 83 14.397 -0.843 0.887 1.00 30.14 C ATOM 1351 C GLY A 83 14.739 0.386 1.728 1.00 71.42 C ATOM 1352 O GLY A 83 13.828 1.072 2.222 1.00 11.30 O ATOM 0 H GLY A 83 12.728 -1.124 -0.336 1.00 4.21 H new ATOM 0 HA2 GLY A 83 13.884 -1.572 1.514 1.00 30.14 H new ATOM 0 HA3 GLY A 83 15.321 -1.310 0.547 1.00 30.14 H new ATOM 1356 N TYR A 84 16.056 0.651 1.842 1.00 40.33 N ATOM 1357 CA TYR A 84 16.641 1.831 2.503 1.00 63.23 C ATOM 1358 C TYR A 84 16.400 1.807 4.034 1.00 25.10 C ATOM 1359 O TYR A 84 17.305 1.466 4.804 1.00 13.02 O ATOM 1360 CB TYR A 84 16.148 3.158 1.841 1.00 1.31 C ATOM 1361 CG TYR A 84 16.794 4.434 2.411 1.00 11.24 C ATOM 1362 CD1 TYR A 84 18.176 4.631 2.329 1.00 22.23 C ATOM 1363 CD2 TYR A 84 16.034 5.428 3.043 1.00 50.13 C ATOM 1364 CE1 TYR A 84 18.772 5.762 2.849 1.00 34.33 C ATOM 1365 CE2 TYR A 84 16.631 6.561 3.568 1.00 34.24 C ATOM 1366 CZ TYR A 84 17.997 6.721 3.467 1.00 13.42 C ATOM 1367 OH TYR A 84 18.600 7.838 4.003 1.00 34.44 O ATOM 0 H TYR A 84 16.766 0.025 1.462 1.00 40.33 H new ATOM 0 HA TYR A 84 17.721 1.790 2.359 1.00 63.23 H new ATOM 0 HB2 TYR A 84 16.348 3.112 0.771 1.00 1.31 H new ATOM 0 HB3 TYR A 84 15.067 3.229 1.960 1.00 1.31 H new ATOM 0 HD1 TYR A 84 18.789 3.883 1.849 1.00 22.23 H new ATOM 0 HD2 TYR A 84 14.964 5.308 3.122 1.00 50.13 H new ATOM 0 HE1 TYR A 84 19.841 5.896 2.772 1.00 34.33 H new ATOM 0 HE2 TYR A 84 16.030 7.316 4.054 1.00 34.24 H new ATOM 0 HH TYR A 84 17.918 8.418 4.402 1.00 34.44 H new ATOM 1377 N ASN A 85 15.182 2.174 4.459 1.00 61.41 N ATOM 1378 CA ASN A 85 14.796 2.203 5.888 1.00 44.44 C ATOM 1379 C ASN A 85 14.025 0.906 6.244 1.00 60.41 C ATOM 1380 O ASN A 85 13.691 0.111 5.350 1.00 34.02 O ATOM 1381 CB ASN A 85 13.955 3.485 6.180 1.00 51.33 C ATOM 1382 CG ASN A 85 13.796 3.791 7.680 1.00 53.34 C ATOM 1383 OD1 ASN A 85 12.869 3.328 8.327 1.00 74.34 O ATOM 1384 ND2 ASN A 85 14.715 4.551 8.250 1.00 4.50 N ATOM 0 H ASN A 85 14.434 2.460 3.827 1.00 61.41 H new ATOM 0 HA ASN A 85 15.685 2.243 6.517 1.00 44.44 H new ATOM 0 HB2 ASN A 85 14.427 4.338 5.692 1.00 51.33 H new ATOM 0 HB3 ASN A 85 12.967 3.370 5.735 1.00 51.33 H new ATOM 0 HD21 ASN A 85 14.658 4.760 9.247 1.00 4.50 H new ATOM 0 HD22 ASN A 85 15.482 4.929 7.693 1.00 4.50 H new ATOM 1391 N ASP A 86 13.769 0.710 7.553 1.00 23.45 N ATOM 1392 CA ASP A 86 13.014 -0.439 8.114 1.00 12.23 C ATOM 1393 C ASP A 86 11.617 -0.587 7.481 1.00 72.04 C ATOM 1394 O ASP A 86 11.055 0.377 6.945 1.00 75.11 O ATOM 1395 CB ASP A 86 12.868 -0.273 9.656 1.00 14.03 C ATOM 1396 CG ASP A 86 14.218 -0.168 10.393 1.00 61.11 C ATOM 1397 OD1 ASP A 86 14.908 0.870 10.247 1.00 52.13 O ATOM 1398 OD2 ASP A 86 14.588 -1.103 11.136 1.00 73.22 O ATOM 0 H ASP A 86 14.088 1.360 8.271 1.00 23.45 H new ATOM 0 HA ASP A 86 13.580 -1.341 7.882 1.00 12.23 H new ATOM 0 HB2 ASP A 86 12.279 0.621 9.863 1.00 14.03 H new ATOM 0 HB3 ASP A 86 12.311 -1.121 10.054 1.00 14.03 H new ATOM 1403 N ILE A 87 11.060 -1.809 7.526 1.00 53.05 N ATOM 1404 CA ILE A 87 9.707 -2.090 7.007 1.00 5.34 C ATOM 1405 C ILE A 87 8.816 -2.452 8.200 1.00 61.23 C ATOM 1406 O ILE A 87 8.961 -3.535 8.778 1.00 32.00 O ATOM 1407 CB ILE A 87 9.708 -3.273 5.945 1.00 12.54 C ATOM 1408 CG1 ILE A 87 10.878 -3.123 4.908 1.00 71.14 C ATOM 1409 CG2 ILE A 87 8.338 -3.379 5.220 1.00 73.30 C ATOM 1410 CD1 ILE A 87 10.878 -1.838 4.097 1.00 70.32 C ATOM 0 H ILE A 87 11.529 -2.625 7.919 1.00 53.05 H new ATOM 0 HA ILE A 87 9.332 -1.207 6.490 1.00 5.34 H new ATOM 0 HB ILE A 87 9.873 -4.199 6.496 1.00 12.54 H new ATOM 0 HG12 ILE A 87 11.825 -3.193 5.443 1.00 71.14 H new ATOM 0 HG13 ILE A 87 10.838 -3.966 4.219 1.00 71.14 H new ATOM 0 HG21 ILE A 87 8.370 -4.197 4.500 1.00 73.30 H new ATOM 0 HG22 ILE A 87 7.553 -3.570 5.952 1.00 73.30 H new ATOM 0 HG23 ILE A 87 8.129 -2.445 4.699 1.00 73.30 H new ATOM 0 HD11 ILE A 87 11.727 -1.839 3.414 1.00 70.32 H new ATOM 0 HD12 ILE A 87 9.952 -1.768 3.525 1.00 70.32 H new ATOM 0 HD13 ILE A 87 10.954 -0.983 4.769 1.00 70.32 H new ATOM 1422 N ASN A 88 7.907 -1.546 8.580 1.00 24.12 N ATOM 1423 CA ASN A 88 7.029 -1.720 9.755 1.00 2.34 C ATOM 1424 C ASN A 88 5.564 -1.640 9.300 1.00 25.44 C ATOM 1425 O ASN A 88 5.184 -0.687 8.619 1.00 62.20 O ATOM 1426 CB ASN A 88 7.325 -0.626 10.836 1.00 15.23 C ATOM 1427 CG ASN A 88 8.778 -0.627 11.366 1.00 52.32 C ATOM 1428 OD1 ASN A 88 9.460 -1.653 11.380 1.00 61.23 O ATOM 1429 ND2 ASN A 88 9.258 0.524 11.821 1.00 53.31 N ATOM 0 H ASN A 88 7.755 -0.668 8.084 1.00 24.12 H new ATOM 0 HA ASN A 88 7.220 -2.694 10.205 1.00 2.34 H new ATOM 0 HB2 ASN A 88 7.107 0.354 10.412 1.00 15.23 H new ATOM 0 HB3 ASN A 88 6.645 -0.769 11.676 1.00 15.23 H new ATOM 0 HD21 ASN A 88 10.207 0.570 12.191 1.00 53.31 H new ATOM 0 HD22 ASN A 88 8.677 1.362 11.801 1.00 53.31 H new ATOM 1436 N VAL A 89 4.754 -2.649 9.675 1.00 13.45 N ATOM 1437 CA VAL A 89 3.318 -2.718 9.325 1.00 1.20 C ATOM 1438 C VAL A 89 2.453 -2.699 10.613 1.00 14.15 C ATOM 1439 O VAL A 89 2.588 -3.562 11.490 1.00 21.32 O ATOM 1440 CB VAL A 89 2.998 -3.978 8.422 1.00 21.04 C ATOM 1441 CG1 VAL A 89 3.510 -5.302 9.038 1.00 54.24 C ATOM 1442 CG2 VAL A 89 1.485 -4.056 8.066 1.00 22.41 C ATOM 0 H VAL A 89 5.076 -3.442 10.230 1.00 13.45 H new ATOM 0 HA VAL A 89 3.066 -1.838 8.733 1.00 1.20 H new ATOM 0 HB VAL A 89 3.550 -3.840 7.492 1.00 21.04 H new ATOM 0 HG11 VAL A 89 3.262 -6.131 8.375 1.00 54.24 H new ATOM 0 HG12 VAL A 89 4.591 -5.250 9.165 1.00 54.24 H new ATOM 0 HG13 VAL A 89 3.038 -5.459 10.008 1.00 54.24 H new ATOM 0 HG21 VAL A 89 1.302 -4.933 7.445 1.00 22.41 H new ATOM 0 HG22 VAL A 89 0.899 -4.131 8.982 1.00 22.41 H new ATOM 0 HG23 VAL A 89 1.193 -3.158 7.521 1.00 22.41 H new ATOM 1452 N THR A 90 1.604 -1.667 10.730 1.00 10.14 N ATOM 1453 CA THR A 90 0.681 -1.473 11.850 1.00 64.24 C ATOM 1454 C THR A 90 -0.769 -1.584 11.336 1.00 41.04 C ATOM 1455 O THR A 90 -1.229 -0.706 10.599 1.00 74.20 O ATOM 1456 CB THR A 90 0.911 -0.059 12.492 1.00 11.44 C ATOM 1457 OG1 THR A 90 2.314 0.150 12.714 1.00 22.45 O ATOM 1458 CG2 THR A 90 0.165 0.100 13.826 1.00 3.13 C ATOM 0 H THR A 90 1.541 -0.928 10.030 1.00 10.14 H new ATOM 0 HA THR A 90 0.860 -2.237 12.606 1.00 64.24 H new ATOM 0 HB THR A 90 0.519 0.681 11.795 1.00 11.44 H new ATOM 0 HG1 THR A 90 2.454 1.034 13.113 1.00 22.45 H new ATOM 0 HG21 THR A 90 0.354 1.094 14.232 1.00 3.13 H new ATOM 0 HG22 THR A 90 -0.905 -0.027 13.662 1.00 3.13 H new ATOM 0 HG23 THR A 90 0.516 -0.653 14.531 1.00 3.13 H new ATOM 1466 N TRP A 91 -1.466 -2.684 11.693 1.00 64.14 N ATOM 1467 CA TRP A 91 -2.885 -2.868 11.347 1.00 50.32 C ATOM 1468 C TRP A 91 -3.744 -1.992 12.276 1.00 65.02 C ATOM 1469 O TRP A 91 -3.868 -2.272 13.472 1.00 51.34 O ATOM 1470 CB TRP A 91 -3.296 -4.364 11.449 1.00 60.35 C ATOM 1471 CG TRP A 91 -4.703 -4.682 10.955 1.00 60.42 C ATOM 1472 CD1 TRP A 91 -5.345 -4.126 9.881 1.00 52.53 C ATOM 1473 CD2 TRP A 91 -5.618 -5.665 11.486 1.00 71.25 C ATOM 1474 NE1 TRP A 91 -6.586 -4.678 9.731 1.00 11.25 N ATOM 1475 CE2 TRP A 91 -6.778 -5.625 10.696 1.00 53.33 C ATOM 1476 CE3 TRP A 91 -5.568 -6.567 12.552 1.00 15.53 C ATOM 1477 CZ2 TRP A 91 -7.871 -6.455 10.926 1.00 52.45 C ATOM 1478 CZ3 TRP A 91 -6.656 -7.390 12.786 1.00 5.23 C ATOM 1479 CH2 TRP A 91 -7.795 -7.328 11.975 1.00 42.33 C ATOM 0 H TRP A 91 -1.064 -3.458 12.222 1.00 64.14 H new ATOM 0 HA TRP A 91 -3.047 -2.562 10.313 1.00 50.32 H new ATOM 0 HB2 TRP A 91 -2.584 -4.960 10.879 1.00 60.35 H new ATOM 0 HB3 TRP A 91 -3.213 -4.678 12.490 1.00 60.35 H new ATOM 0 HD1 TRP A 91 -4.930 -3.360 9.243 1.00 52.53 H new ATOM 0 HE1 TRP A 91 -7.262 -4.423 9.011 1.00 11.25 H new ATOM 0 HE3 TRP A 91 -4.694 -6.621 13.184 1.00 15.53 H new ATOM 0 HZ2 TRP A 91 -8.748 -6.411 10.298 1.00 52.45 H new ATOM 0 HZ3 TRP A 91 -6.626 -8.091 13.607 1.00 5.23 H new ATOM 0 HH2 TRP A 91 -8.629 -7.982 12.182 1.00 42.33 H new ATOM 1490 N ASP A 92 -4.288 -0.912 11.708 1.00 11.43 N ATOM 1491 CA ASP A 92 -5.170 0.047 12.404 1.00 73.44 C ATOM 1492 C ASP A 92 -6.528 -0.595 12.765 1.00 25.53 C ATOM 1493 O ASP A 92 -7.231 -0.125 13.668 1.00 11.43 O ATOM 1494 CB ASP A 92 -5.401 1.294 11.506 1.00 73.13 C ATOM 1495 CG ASP A 92 -4.098 1.903 10.951 1.00 12.12 C ATOM 1496 OD1 ASP A 92 -3.597 1.406 9.921 1.00 61.52 O ATOM 1497 OD2 ASP A 92 -3.567 2.870 11.542 1.00 60.13 O ATOM 0 H ASP A 92 -4.128 -0.669 10.730 1.00 11.43 H new ATOM 0 HA ASP A 92 -4.680 0.345 13.331 1.00 73.44 H new ATOM 0 HB2 ASP A 92 -6.047 1.017 10.673 1.00 73.13 H new ATOM 0 HB3 ASP A 92 -5.931 2.053 12.081 1.00 73.13 H new ATOM 1502 N GLY A 93 -6.888 -1.660 12.028 1.00 0.14 N ATOM 1503 CA GLY A 93 -8.147 -2.373 12.200 1.00 24.13 C ATOM 1504 C GLY A 93 -8.933 -2.373 10.909 1.00 73.01 C ATOM 1505 O GLY A 93 -9.304 -3.426 10.395 1.00 41.02 O ATOM 0 H GLY A 93 -6.300 -2.047 11.290 1.00 0.14 H new ATOM 0 HA2 GLY A 93 -7.952 -3.398 12.514 1.00 24.13 H new ATOM 0 HA3 GLY A 93 -8.733 -1.904 12.990 1.00 24.13 H new ATOM 1509 N ASP A 94 -9.191 -1.162 10.388 1.00 72.44 N ATOM 1510 CA ASP A 94 -9.884 -0.945 9.089 1.00 1.25 C ATOM 1511 C ASP A 94 -8.855 -0.625 7.986 1.00 53.23 C ATOM 1512 O ASP A 94 -9.200 -0.539 6.801 1.00 75.23 O ATOM 1513 CB ASP A 94 -10.934 0.203 9.241 1.00 4.40 C ATOM 1514 CG ASP A 94 -11.757 0.510 7.962 1.00 32.21 C ATOM 1515 OD1 ASP A 94 -12.489 -0.374 7.487 1.00 55.41 O ATOM 1516 OD2 ASP A 94 -11.683 1.642 7.436 1.00 42.31 O ATOM 0 H ASP A 94 -8.926 -0.294 10.853 1.00 72.44 H new ATOM 0 HA ASP A 94 -10.411 -1.854 8.798 1.00 1.25 H new ATOM 0 HB2 ASP A 94 -11.623 -0.058 10.044 1.00 4.40 H new ATOM 0 HB3 ASP A 94 -10.416 1.111 9.548 1.00 4.40 H new ATOM 1521 N THR A 95 -7.577 -0.478 8.381 1.00 23.23 N ATOM 1522 CA THR A 95 -6.495 -0.033 7.485 1.00 75.44 C ATOM 1523 C THR A 95 -5.167 -0.741 7.853 1.00 42.54 C ATOM 1524 O THR A 95 -4.987 -1.145 9.001 1.00 2.54 O ATOM 1525 CB THR A 95 -6.317 1.529 7.582 1.00 62.31 C ATOM 1526 OG1 THR A 95 -7.604 2.177 7.639 1.00 72.40 O ATOM 1527 CG2 THR A 95 -5.528 2.097 6.395 1.00 4.24 C ATOM 0 H THR A 95 -7.265 -0.665 9.334 1.00 23.23 H new ATOM 0 HA THR A 95 -6.761 -0.296 6.461 1.00 75.44 H new ATOM 0 HB THR A 95 -5.754 1.726 8.494 1.00 62.31 H new ATOM 0 HG1 THR A 95 -7.479 3.147 7.701 1.00 72.40 H new ATOM 0 HG21 THR A 95 -5.431 3.177 6.506 1.00 4.24 H new ATOM 0 HG22 THR A 95 -4.537 1.645 6.367 1.00 4.24 H new ATOM 0 HG23 THR A 95 -6.055 1.874 5.467 1.00 4.24 H new ATOM 1535 N VAL A 96 -4.274 -0.934 6.865 1.00 54.22 N ATOM 1536 CA VAL A 96 -2.883 -1.386 7.097 1.00 62.25 C ATOM 1537 C VAL A 96 -1.892 -0.251 6.748 1.00 42.22 C ATOM 1538 O VAL A 96 -1.759 0.145 5.585 1.00 10.22 O ATOM 1539 CB VAL A 96 -2.527 -2.705 6.287 1.00 1.33 C ATOM 1540 CG1 VAL A 96 -3.206 -3.937 6.919 1.00 20.43 C ATOM 1541 CG2 VAL A 96 -2.892 -2.597 4.779 1.00 32.23 C ATOM 0 H VAL A 96 -4.494 -0.782 5.881 1.00 54.22 H new ATOM 0 HA VAL A 96 -2.795 -1.633 8.155 1.00 62.25 H new ATOM 0 HB VAL A 96 -1.445 -2.827 6.347 1.00 1.33 H new ATOM 0 HG11 VAL A 96 -2.948 -4.828 6.347 1.00 20.43 H new ATOM 0 HG12 VAL A 96 -2.864 -4.054 7.947 1.00 20.43 H new ATOM 0 HG13 VAL A 96 -4.287 -3.801 6.910 1.00 20.43 H new ATOM 0 HG21 VAL A 96 -2.628 -3.526 4.273 1.00 32.23 H new ATOM 0 HG22 VAL A 96 -3.962 -2.420 4.676 1.00 32.23 H new ATOM 0 HG23 VAL A 96 -2.342 -1.770 4.330 1.00 32.23 H new ATOM 1551 N THR A 97 -1.230 0.289 7.778 1.00 61.44 N ATOM 1552 CA THR A 97 -0.170 1.295 7.637 1.00 53.21 C ATOM 1553 C THR A 97 1.182 0.593 7.454 1.00 12.11 C ATOM 1554 O THR A 97 1.502 -0.325 8.196 1.00 62.12 O ATOM 1555 CB THR A 97 -0.113 2.208 8.912 1.00 4.11 C ATOM 1556 OG1 THR A 97 -1.306 2.995 8.995 1.00 31.24 O ATOM 1557 CG2 THR A 97 1.118 3.139 8.953 1.00 14.32 C ATOM 0 H THR A 97 -1.418 0.036 8.748 1.00 61.44 H new ATOM 0 HA THR A 97 -0.386 1.914 6.766 1.00 53.21 H new ATOM 0 HB THR A 97 -0.028 1.537 9.767 1.00 4.11 H new ATOM 0 HG1 THR A 97 -2.047 2.434 9.304 1.00 31.24 H new ATOM 0 HG21 THR A 97 1.090 3.740 9.862 1.00 14.32 H new ATOM 0 HG22 THR A 97 2.028 2.539 8.942 1.00 14.32 H new ATOM 0 HG23 THR A 97 1.106 3.796 8.084 1.00 14.32 H new ATOM 1565 N VAL A 98 1.953 1.008 6.438 1.00 64.20 N ATOM 1566 CA VAL A 98 3.346 0.578 6.245 1.00 72.15 C ATOM 1567 C VAL A 98 4.223 1.836 6.081 1.00 73.13 C ATOM 1568 O VAL A 98 3.968 2.668 5.207 1.00 63.33 O ATOM 1569 CB VAL A 98 3.527 -0.399 5.013 1.00 43.23 C ATOM 1570 CG1 VAL A 98 4.998 -0.882 4.875 1.00 14.54 C ATOM 1571 CG2 VAL A 98 2.560 -1.607 5.118 1.00 41.54 C ATOM 0 H VAL A 98 1.625 1.656 5.722 1.00 64.20 H new ATOM 0 HA VAL A 98 3.653 0.007 7.121 1.00 72.15 H new ATOM 0 HB VAL A 98 3.279 0.163 4.112 1.00 43.23 H new ATOM 0 HG11 VAL A 98 5.083 -1.551 4.018 1.00 14.54 H new ATOM 0 HG12 VAL A 98 5.651 -0.022 4.730 1.00 14.54 H new ATOM 0 HG13 VAL A 98 5.293 -1.413 5.780 1.00 14.54 H new ATOM 0 HG21 VAL A 98 2.704 -2.264 4.260 1.00 41.54 H new ATOM 0 HG22 VAL A 98 2.765 -2.159 6.035 1.00 41.54 H new ATOM 0 HG23 VAL A 98 1.531 -1.249 5.133 1.00 41.54 H new ATOM 1581 N GLU A 99 5.200 1.970 6.981 1.00 73.22 N ATOM 1582 CA GLU A 99 6.207 3.046 6.991 1.00 34.40 C ATOM 1583 C GLU A 99 7.477 2.482 7.659 1.00 54.25 C ATOM 1584 O GLU A 99 7.451 1.363 8.187 1.00 75.43 O ATOM 1585 CB GLU A 99 5.677 4.314 7.737 1.00 10.04 C ATOM 1586 CG GLU A 99 6.650 5.531 7.733 1.00 51.22 C ATOM 1587 CD GLU A 99 6.126 6.767 8.477 1.00 22.55 C ATOM 1588 OE1 GLU A 99 5.840 6.659 9.691 1.00 71.41 O ATOM 1589 OE2 GLU A 99 5.982 7.850 7.850 1.00 32.43 O ATOM 0 H GLU A 99 5.320 1.312 7.751 1.00 73.22 H new ATOM 0 HA GLU A 99 6.431 3.367 5.974 1.00 34.40 H new ATOM 0 HB2 GLU A 99 4.735 4.619 7.281 1.00 10.04 H new ATOM 0 HB3 GLU A 99 5.459 4.045 8.771 1.00 10.04 H new ATOM 0 HG2 GLU A 99 7.595 5.226 8.182 1.00 51.22 H new ATOM 0 HG3 GLU A 99 6.862 5.807 6.700 1.00 51.22 H new ATOM 1596 N GLY A 100 8.601 3.213 7.587 1.00 20.35 N ATOM 1597 CA GLY A 100 9.796 2.858 8.354 1.00 61.02 C ATOM 1598 C GLY A 100 9.675 3.185 9.839 1.00 24.11 C ATOM 1599 O GLY A 100 8.591 3.042 10.431 1.00 10.52 O ATOM 0 H GLY A 100 8.703 4.047 7.009 1.00 20.35 H new ATOM 0 HA2 GLY A 100 9.991 1.792 8.238 1.00 61.02 H new ATOM 0 HA3 GLY A 100 10.655 3.386 7.941 1.00 61.02 H new ATOM 1603 N GLN A 101 10.788 3.610 10.457 1.00 62.23 N ATOM 1604 CA GLN A 101 10.798 4.021 11.864 1.00 52.34 C ATOM 1605 C GLN A 101 10.134 5.396 12.002 1.00 2.35 C ATOM 1606 O GLN A 101 10.678 6.407 11.534 1.00 12.13 O ATOM 1607 CB GLN A 101 12.248 4.042 12.429 1.00 41.24 C ATOM 1608 CG GLN A 101 12.901 2.652 12.556 1.00 4.14 C ATOM 1609 CD GLN A 101 12.135 1.684 13.471 1.00 23.14 C ATOM 1610 OE1 GLN A 101 11.453 2.089 14.417 1.00 64.43 O ATOM 1611 NE2 GLN A 101 12.253 0.394 13.205 1.00 60.35 N ATOM 0 H GLN A 101 11.697 3.677 9.998 1.00 62.23 H new ATOM 0 HA GLN A 101 10.232 3.295 12.448 1.00 52.34 H new ATOM 0 HB2 GLN A 101 12.868 4.664 11.783 1.00 41.24 H new ATOM 0 HB3 GLN A 101 12.236 4.515 13.411 1.00 41.24 H new ATOM 0 HG2 GLN A 101 12.984 2.209 11.564 1.00 4.14 H new ATOM 0 HG3 GLN A 101 13.915 2.772 12.938 1.00 4.14 H new ATOM 0 HE21 GLN A 101 12.823 0.086 12.417 1.00 60.35 H new ATOM 0 HE22 GLN A 101 11.774 -0.293 13.788 1.00 60.35 H new ATOM 1620 N LEU A 102 8.927 5.401 12.595 1.00 34.00 N ATOM 1621 CA LEU A 102 8.217 6.632 12.954 1.00 21.34 C ATOM 1622 C LEU A 102 8.996 7.329 14.085 1.00 4.24 C ATOM 1623 O LEU A 102 9.295 6.693 15.102 1.00 51.31 O ATOM 1624 CB LEU A 102 6.763 6.309 13.395 1.00 22.31 C ATOM 1625 CG LEU A 102 5.851 7.533 13.741 1.00 12.42 C ATOM 1626 CD1 LEU A 102 5.745 8.509 12.555 1.00 25.23 C ATOM 1627 CD2 LEU A 102 4.455 7.063 14.199 1.00 10.20 C ATOM 0 H LEU A 102 8.420 4.550 12.837 1.00 34.00 H new ATOM 0 HA LEU A 102 8.157 7.296 12.092 1.00 21.34 H new ATOM 0 HB2 LEU A 102 6.283 5.740 12.599 1.00 22.31 H new ATOM 0 HB3 LEU A 102 6.808 5.659 14.269 1.00 22.31 H new ATOM 0 HG LEU A 102 6.316 8.071 14.567 1.00 12.42 H new ATOM 0 HD11 LEU A 102 5.104 9.347 12.830 1.00 25.23 H new ATOM 0 HD12 LEU A 102 6.738 8.880 12.299 1.00 25.23 H new ATOM 0 HD13 LEU A 102 5.318 7.992 11.696 1.00 25.23 H new ATOM 0 HD21 LEU A 102 3.838 7.930 14.434 1.00 10.20 H new ATOM 0 HD22 LEU A 102 3.984 6.489 13.401 1.00 10.20 H new ATOM 0 HD23 LEU A 102 4.555 6.437 15.086 1.00 10.20 H new ATOM 1639 N GLU A 103 9.328 8.617 13.879 1.00 65.42 N ATOM 1640 CA GLU A 103 10.208 9.386 14.781 1.00 11.14 C ATOM 1641 C GLU A 103 9.588 9.519 16.191 1.00 24.23 C ATOM 1642 O GLU A 103 10.226 9.166 17.190 1.00 14.13 O ATOM 1643 CB GLU A 103 10.496 10.786 14.166 1.00 64.02 C ATOM 1644 CG GLU A 103 11.498 11.662 14.951 1.00 62.14 C ATOM 1645 CD GLU A 103 12.919 11.065 14.996 1.00 12.24 C ATOM 1646 OE1 GLU A 103 13.657 11.210 13.993 1.00 40.21 O ATOM 1647 OE2 GLU A 103 13.302 10.460 16.026 1.00 0.54 O ATOM 0 H GLU A 103 8.993 9.156 13.080 1.00 65.42 H new ATOM 0 HA GLU A 103 11.149 8.847 14.890 1.00 11.14 H new ATOM 0 HB2 GLU A 103 10.876 10.648 13.154 1.00 64.02 H new ATOM 0 HB3 GLU A 103 9.554 11.328 14.082 1.00 64.02 H new ATOM 0 HG2 GLU A 103 11.541 12.651 14.496 1.00 62.14 H new ATOM 0 HG3 GLU A 103 11.134 11.795 15.970 1.00 62.14 H new ATOM 1654 N GLY A 104 8.325 9.993 16.248 1.00 43.32 N ATOM 1655 CA GLY A 104 7.615 10.186 17.520 1.00 35.45 C ATOM 1656 C GLY A 104 7.203 8.874 18.191 1.00 23.42 C ATOM 1657 O GLY A 104 6.986 8.853 19.410 1.00 60.01 O ATOM 0 H GLY A 104 7.780 10.248 15.424 1.00 43.32 H new ATOM 0 HA2 GLY A 104 8.252 10.750 18.201 1.00 35.45 H new ATOM 0 HA3 GLY A 104 6.725 10.790 17.343 1.00 35.45 H new ATOM 1661 N VAL A 105 7.111 7.788 17.373 1.00 24.01 N ATOM 1662 CA VAL A 105 6.767 6.416 17.812 1.00 15.24 C ATOM 1663 C VAL A 105 5.332 6.352 18.405 1.00 14.52 C ATOM 1664 O VAL A 105 5.105 6.732 19.558 1.00 60.43 O ATOM 1665 CB VAL A 105 7.837 5.812 18.819 1.00 41.24 C ATOM 1666 CG1 VAL A 105 7.488 4.360 19.234 1.00 64.35 C ATOM 1667 CG2 VAL A 105 9.269 5.879 18.224 1.00 14.41 C ATOM 0 H VAL A 105 7.279 7.850 16.369 1.00 24.01 H new ATOM 0 HA VAL A 105 6.789 5.790 16.920 1.00 15.24 H new ATOM 0 HB VAL A 105 7.808 6.428 19.718 1.00 41.24 H new ATOM 0 HG11 VAL A 105 8.246 3.986 19.923 1.00 64.35 H new ATOM 0 HG12 VAL A 105 6.514 4.346 19.723 1.00 64.35 H new ATOM 0 HG13 VAL A 105 7.458 3.726 18.348 1.00 64.35 H new ATOM 0 HG21 VAL A 105 9.979 5.458 18.936 1.00 14.41 H new ATOM 0 HG22 VAL A 105 9.305 5.308 17.296 1.00 14.41 H new ATOM 0 HG23 VAL A 105 9.531 6.918 18.021 1.00 14.41 H new ATOM 1677 N ASP A 106 4.370 5.895 17.584 1.00 3.14 N ATOM 1678 CA ASP A 106 2.949 5.773 17.969 1.00 4.41 C ATOM 1679 C ASP A 106 2.661 4.327 18.443 1.00 44.45 C ATOM 1680 O ASP A 106 2.568 3.416 17.591 1.00 43.54 O ATOM 1681 CB ASP A 106 2.047 6.176 16.767 1.00 75.11 C ATOM 1682 CG ASP A 106 0.538 6.111 17.063 1.00 43.43 C ATOM 1683 OD1 ASP A 106 0.059 6.872 17.926 1.00 0.12 O ATOM 1684 OD2 ASP A 106 -0.176 5.296 16.447 1.00 22.21 O ATOM 1685 OXT ASP A 106 2.554 4.101 19.668 1.00 38.41 O ATOM 0 H ASP A 106 4.556 5.597 16.626 1.00 3.14 H new ATOM 0 HA ASP A 106 2.726 6.447 18.796 1.00 4.41 H new ATOM 0 HB2 ASP A 106 2.302 7.190 16.459 1.00 75.11 H new ATOM 0 HB3 ASP A 106 2.269 5.521 15.924 1.00 75.11 H new TER 1690 ASP A 106