USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1234 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 75 ASN : amide:sc= 1.15 K(o=1.3,f=-2.8!) USER MOD Set 1.2: B 56 LYS NZ :NH3+ 145:sc= 0.154 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc= 2.11 K(o=4.6,f=-6.7!) USER MOD Set 2.2: B 45 LYS NZ :NH3+ -166:sc= 2.46 (180deg=1.09) USER MOD Single : A 1 MET CE :methyl -148:sc= -0.107 (180deg=-0.356) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.24 K(o=0.24,f=-4.8!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00636 USER MOD Single : A 9 SER OG : rot 180:sc= 0.117 USER MOD Single : A 11 LYS NZ :NH3+ 155:sc= -0.132 (180deg=-0.707) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 18 ASN : amide:sc= 1.42 K(o=1.4,f=-6.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.02 K(o=-0.02,f=-1.1) USER MOD Single : A 40 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 134:sc= 1.3 (180deg=-0.695) USER MOD Single : A 46 HIS : no HD1:sc=-0.00531 X(o=-0.0053,f=-0.078) USER MOD Single : A 47 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot 79:sc= 1.11 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -173:sc= 1.2 USER MOD Single : A 59 SER OG : rot 82:sc= 0.131 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 66 GLN : amide:sc= -0.26 K(o=-0.26,f=-8.2!) USER MOD Single : A 70 ASN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.19) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0073 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.385 X(o=-0.39,f=-0.18) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : B 9 SER OG : rot 180:sc= 0.033 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0759 USER MOD Single : B 18 ASN : amide:sc= -0.374 K(o=-0.37,f=-4.3!) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0.0132 USER MOD Single : B 31 SER OG : rot 180:sc= 0.0618 USER MOD Single : B 33 LYS NZ :NH3+ 163:sc= 0.853 (180deg=0.409) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 40 ASN : amide:sc= -0.331 K(o=-0.33,f=-3!) USER MOD Single : B 46 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.076) USER MOD Single : B 47 THR OG1 : rot 92:sc= 0.163 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 76:sc= 0.327 USER MOD Single : B 58 THR OG1 : rot -174:sc= -1.22 USER MOD Single : B 59 SER OG : rot 180:sc= 0.109 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : B 65 ASN : amide:sc= 0.0345 X(o=0.035,f=0) USER MOD Single : B 66 GLN : amide:sc= -1.14! K(o=-1.1!,f=-0.41) USER MOD Single : B 70 ASN : amide:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -142:sc= -0.156 (180deg=-0.851!) USER MOD Single : B 75 ASN : amide:sc= -0.697 K(o=-0.7,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -72.385 57.351 -25.342 1.00 52.69 N ATOM 2 CA MET A 1 -72.096 57.717 -23.939 1.00 52.68 C ATOM 3 C MET A 1 -72.855 56.810 -22.976 1.00 52.43 C ATOM 4 O MET A 1 -72.254 56.194 -22.097 1.00 52.55 O ATOM 5 CB MET A 1 -72.483 59.181 -23.720 1.00 52.98 C ATOM 6 CG MET A 1 -72.249 59.667 -22.299 1.00 53.17 C ATOM 7 SD MET A 1 -73.744 60.327 -21.540 1.00 53.83 S ATOM 8 CE MET A 1 -74.081 59.066 -20.313 1.00 54.20 C ATOM 0 H1 MET A 1 -71.858 57.981 -25.981 1.00 52.69 H new ATOM 0 H2 MET A 1 -72.096 56.366 -25.511 1.00 52.69 H new ATOM 0 H3 MET A 1 -73.404 57.448 -25.523 1.00 52.69 H new ATOM 0 HA MET A 1 -71.032 57.588 -23.743 1.00 52.68 H new ATOM 0 HB2 MET A 1 -71.912 59.806 -24.407 1.00 52.98 H new ATOM 0 HB3 MET A 1 -73.536 59.311 -23.971 1.00 52.98 H new ATOM 0 HG2 MET A 1 -71.872 58.842 -21.694 1.00 53.17 H new ATOM 0 HG3 MET A 1 -71.478 60.437 -22.304 1.00 53.17 H new ATOM 0 HE1 MET A 1 -75.158 58.980 -20.166 1.00 54.20 H new ATOM 0 HE2 MET A 1 -73.684 58.110 -20.655 1.00 54.20 H new ATOM 0 HE3 MET A 1 -73.606 59.339 -19.371 1.00 54.20 H new ATOM 20 N SER A 2 -74.172 56.710 -23.158 1.00 52.13 N ATOM 21 CA SER A 2 -74.996 55.848 -22.316 1.00 51.92 C ATOM 22 C SER A 2 -74.613 54.385 -22.516 1.00 51.30 C ATOM 23 O SER A 2 -74.532 53.618 -21.556 1.00 50.91 O ATOM 24 CB SER A 2 -76.475 56.061 -22.639 1.00 51.94 C ATOM 25 OG SER A 2 -76.696 57.358 -23.166 1.00 52.25 O ATOM 0 H SER A 2 -74.688 57.214 -23.879 1.00 52.13 H new ATOM 0 HA SER A 2 -74.823 56.108 -21.272 1.00 51.92 H new ATOM 0 HB2 SER A 2 -76.806 55.311 -23.357 1.00 51.94 H new ATOM 0 HB3 SER A 2 -77.072 55.924 -21.737 1.00 51.94 H new ATOM 0 HG SER A 2 -77.648 57.472 -23.367 1.00 52.25 H new ATOM 31 N LEU A 3 -74.254 54.047 -23.746 1.00 51.24 N ATOM 32 CA LEU A 3 -73.748 52.722 -24.055 1.00 50.73 C ATOM 33 C LEU A 3 -72.231 52.725 -24.000 1.00 49.93 C ATOM 34 O LEU A 3 -71.585 53.596 -24.587 1.00 49.72 O ATOM 35 CB LEU A 3 -74.202 52.279 -25.446 1.00 50.73 C ATOM 36 CG LEU A 3 -74.992 50.971 -25.487 1.00 51.38 C ATOM 37 CD1 LEU A 3 -76.175 51.091 -26.433 1.00 51.29 C ATOM 38 CD2 LEU A 3 -74.091 49.822 -25.907 1.00 51.81 C ATOM 0 H LEU A 3 -74.305 54.676 -24.547 1.00 51.24 H new ATOM 0 HA LEU A 3 -74.143 52.024 -23.317 1.00 50.73 H new ATOM 0 HB2 LEU A 3 -74.815 53.069 -25.879 1.00 50.73 H new ATOM 0 HB3 LEU A 3 -73.323 52.174 -26.081 1.00 50.73 H new ATOM 0 HG LEU A 3 -75.372 50.766 -24.486 1.00 51.38 H new ATOM 0 HD11 LEU A 3 -76.725 50.150 -26.449 1.00 51.29 H new ATOM 0 HD12 LEU A 3 -76.833 51.891 -26.093 1.00 51.29 H new ATOM 0 HD13 LEU A 3 -75.816 51.319 -27.437 1.00 51.29 H new ATOM 0 HD21 LEU A 3 -74.668 48.897 -25.932 1.00 51.81 H new ATOM 0 HD22 LEU A 3 -73.684 50.022 -26.898 1.00 51.81 H new ATOM 0 HD23 LEU A 3 -73.274 49.721 -25.193 1.00 51.81 H new ATOM 50 N GLU A 4 -71.669 51.749 -23.315 1.00 49.54 N ATOM 51 CA GLU A 4 -70.226 51.624 -23.212 1.00 48.79 C ATOM 52 C GLU A 4 -69.786 50.235 -23.646 1.00 48.08 C ATOM 53 O GLU A 4 -70.618 49.389 -23.987 1.00 47.64 O ATOM 54 CB GLU A 4 -69.772 51.897 -21.778 1.00 48.81 C ATOM 55 CG GLU A 4 -68.777 53.038 -21.665 1.00 49.11 C ATOM 56 CD GLU A 4 -67.340 52.561 -21.650 1.00 49.00 C ATOM 57 OE1 GLU A 4 -66.895 51.960 -22.651 1.00 49.07 O ATOM 58 OE2 GLU A 4 -66.645 52.780 -20.634 1.00 48.89 O ATOM 0 H GLU A 4 -72.191 51.027 -22.819 1.00 49.54 H new ATOM 0 HA GLU A 4 -69.764 52.359 -23.871 1.00 48.79 H new ATOM 0 HB2 GLU A 4 -70.645 52.125 -21.166 1.00 48.81 H new ATOM 0 HB3 GLU A 4 -69.323 50.992 -21.369 1.00 48.81 H new ATOM 0 HG2 GLU A 4 -68.919 53.723 -22.501 1.00 49.11 H new ATOM 0 HG3 GLU A 4 -68.978 53.601 -20.754 1.00 49.11 H new ATOM 65 N LYS A 5 -68.491 49.992 -23.603 1.00 48.00 N ATOM 66 CA LYS A 5 -67.946 48.692 -23.937 1.00 47.39 C ATOM 67 C LYS A 5 -67.244 48.112 -22.715 1.00 46.83 C ATOM 68 O LYS A 5 -67.118 48.787 -21.692 1.00 46.53 O ATOM 69 CB LYS A 5 -66.967 48.806 -25.109 1.00 47.60 C ATOM 70 CG LYS A 5 -67.594 48.490 -26.457 1.00 48.09 C ATOM 71 CD LYS A 5 -66.548 48.415 -27.556 1.00 48.48 C ATOM 72 CE LYS A 5 -66.891 49.339 -28.712 1.00 49.07 C ATOM 73 NZ LYS A 5 -66.103 49.020 -29.929 1.00 49.26 N ATOM 0 H LYS A 5 -67.791 50.685 -23.337 1.00 48.00 H new ATOM 0 HA LYS A 5 -68.758 48.029 -24.237 1.00 47.39 H new ATOM 0 HB2 LYS A 5 -66.560 49.817 -25.135 1.00 47.60 H new ATOM 0 HB3 LYS A 5 -66.129 48.129 -24.939 1.00 47.60 H new ATOM 0 HG2 LYS A 5 -68.128 47.542 -26.397 1.00 48.09 H new ATOM 0 HG3 LYS A 5 -68.329 49.255 -26.705 1.00 48.09 H new ATOM 0 HD2 LYS A 5 -65.572 48.684 -27.151 1.00 48.48 H new ATOM 0 HD3 LYS A 5 -66.471 47.390 -27.918 1.00 48.48 H new ATOM 0 HE2 LYS A 5 -67.955 49.259 -28.937 1.00 49.07 H new ATOM 0 HE3 LYS A 5 -66.704 50.372 -28.419 1.00 49.07 H new ATOM 0 HZ1 LYS A 5 -66.367 49.673 -30.694 1.00 49.26 H new ATOM 0 HZ2 LYS A 5 -65.089 49.121 -29.722 1.00 49.26 H new ATOM 0 HZ3 LYS A 5 -66.301 48.043 -30.224 1.00 49.26 H new ATOM 87 N ALA A 6 -66.774 46.879 -22.824 1.00 46.75 N ATOM 88 CA ALA A 6 -66.058 46.234 -21.731 1.00 46.29 C ATOM 89 C ALA A 6 -64.691 46.882 -21.540 1.00 45.95 C ATOM 90 O ALA A 6 -63.742 46.588 -22.265 1.00 46.32 O ATOM 91 CB ALA A 6 -65.917 44.741 -21.992 1.00 46.58 C ATOM 0 H ALA A 6 -66.875 46.303 -23.660 1.00 46.75 H new ATOM 0 HA ALA A 6 -66.632 46.364 -20.813 1.00 46.29 H new ATOM 0 HB1 ALA A 6 -65.380 44.276 -21.165 1.00 46.58 H new ATOM 0 HB2 ALA A 6 -66.906 44.292 -22.080 1.00 46.58 H new ATOM 0 HB3 ALA A 6 -65.364 44.584 -22.918 1.00 46.58 H new ATOM 97 N HIS A 7 -64.625 47.844 -20.632 1.00 45.30 N ATOM 98 CA HIS A 7 -63.409 48.615 -20.424 1.00 44.97 C ATOM 99 C HIS A 7 -62.654 48.118 -19.201 1.00 44.39 C ATOM 100 O HIS A 7 -61.990 48.891 -18.502 1.00 43.96 O ATOM 101 CB HIS A 7 -63.746 50.102 -20.279 1.00 44.96 C ATOM 102 CG HIS A 7 -63.365 50.915 -21.476 1.00 45.01 C ATOM 103 ND1 HIS A 7 -64.277 51.606 -22.245 1.00 44.94 N ATOM 104 CD2 HIS A 7 -62.157 51.144 -22.039 1.00 45.18 C ATOM 105 CE1 HIS A 7 -63.645 52.219 -23.225 1.00 45.06 C ATOM 106 NE2 HIS A 7 -62.360 51.956 -23.122 1.00 45.21 N ATOM 0 H HIS A 7 -65.401 48.110 -20.026 1.00 45.30 H new ATOM 0 HA HIS A 7 -62.765 48.484 -21.294 1.00 44.97 H new ATOM 0 HB2 HIS A 7 -64.816 50.209 -20.101 1.00 44.96 H new ATOM 0 HB3 HIS A 7 -63.236 50.499 -19.401 1.00 44.96 H new ATOM 0 HD1 HIS A 7 -65.283 51.638 -22.081 1.00 44.94 H new ATOM 0 HD2 HIS A 7 -61.208 50.758 -21.697 1.00 45.18 H new ATOM 0 HE1 HIS A 7 -64.104 52.834 -23.985 1.00 45.06 H new ATOM 115 N THR A 8 -62.710 46.817 -18.981 1.00 44.44 N ATOM 116 CA THR A 8 -61.984 46.196 -17.892 1.00 43.96 C ATOM 117 C THR A 8 -60.710 45.541 -18.416 1.00 43.67 C ATOM 118 O THR A 8 -60.738 44.832 -19.425 1.00 43.66 O ATOM 119 CB THR A 8 -62.856 45.148 -17.183 1.00 44.29 C ATOM 120 OG1 THR A 8 -64.156 45.108 -17.788 1.00 44.86 O ATOM 121 CG2 THR A 8 -62.993 45.471 -15.704 1.00 43.97 C ATOM 0 H THR A 8 -63.255 46.167 -19.547 1.00 44.44 H new ATOM 0 HA THR A 8 -61.719 46.971 -17.173 1.00 43.96 H new ATOM 0 HB THR A 8 -62.375 44.175 -17.284 1.00 44.29 H new ATOM 0 HG1 THR A 8 -64.708 44.437 -17.334 1.00 44.86 H new ATOM 0 HG21 THR A 8 -63.614 44.716 -15.223 1.00 43.97 H new ATOM 0 HG22 THR A 8 -62.007 45.479 -15.240 1.00 43.97 H new ATOM 0 HG23 THR A 8 -63.457 46.451 -15.587 1.00 43.97 H new ATOM 129 N SER A 9 -59.587 45.865 -17.796 1.00 43.50 N ATOM 130 CA SER A 9 -58.290 45.377 -18.245 1.00 43.27 C ATOM 131 C SER A 9 -58.110 43.903 -17.898 1.00 42.89 C ATOM 132 O SER A 9 -58.036 43.529 -16.722 1.00 42.78 O ATOM 133 CB SER A 9 -57.185 46.212 -17.605 1.00 43.30 C ATOM 134 OG SER A 9 -57.737 47.262 -16.824 1.00 43.56 O ATOM 0 H SER A 9 -59.546 46.468 -16.974 1.00 43.50 H new ATOM 0 HA SER A 9 -58.235 45.473 -19.329 1.00 43.27 H new ATOM 0 HB2 SER A 9 -56.559 45.577 -16.978 1.00 43.30 H new ATOM 0 HB3 SER A 9 -56.542 46.628 -18.380 1.00 43.30 H new ATOM 0 HG SER A 9 -57.013 47.785 -16.421 1.00 43.56 H new ATOM 140 N VAL A 10 -58.053 43.063 -18.923 1.00 42.75 N ATOM 141 CA VAL A 10 -57.875 41.632 -18.734 1.00 42.43 C ATOM 142 C VAL A 10 -56.393 41.299 -18.626 1.00 41.60 C ATOM 143 O VAL A 10 -55.745 40.976 -19.621 1.00 41.43 O ATOM 144 CB VAL A 10 -58.499 40.822 -19.891 1.00 42.78 C ATOM 145 CG1 VAL A 10 -58.497 39.335 -19.569 1.00 43.09 C ATOM 146 CG2 VAL A 10 -59.911 41.306 -20.185 1.00 43.59 C ATOM 0 H VAL A 10 -58.128 43.351 -19.898 1.00 42.75 H new ATOM 0 HA VAL A 10 -58.385 41.357 -17.811 1.00 42.43 H new ATOM 0 HB VAL A 10 -57.892 40.978 -20.783 1.00 42.78 H new ATOM 0 HG11 VAL A 10 -58.941 38.783 -20.397 1.00 43.09 H new ATOM 0 HG12 VAL A 10 -57.472 38.997 -19.416 1.00 43.09 H new ATOM 0 HG13 VAL A 10 -59.077 39.158 -18.663 1.00 43.09 H new ATOM 0 HG21 VAL A 10 -60.333 40.722 -21.003 1.00 43.59 H new ATOM 0 HG22 VAL A 10 -60.530 41.184 -19.296 1.00 43.59 H new ATOM 0 HG23 VAL A 10 -59.884 42.359 -20.467 1.00 43.59 H new ATOM 156 N LYS A 11 -55.838 41.473 -17.436 1.00 41.14 N ATOM 157 CA LYS A 11 -54.415 41.262 -17.229 1.00 40.38 C ATOM 158 C LYS A 11 -54.137 40.688 -15.844 1.00 39.65 C ATOM 159 O LYS A 11 -54.444 41.315 -14.827 1.00 39.62 O ATOM 160 CB LYS A 11 -53.655 42.578 -17.413 1.00 40.21 C ATOM 161 CG LYS A 11 -52.214 42.391 -17.863 1.00 40.53 C ATOM 162 CD LYS A 11 -52.129 41.571 -19.138 1.00 40.45 C ATOM 163 CE LYS A 11 -50.743 40.978 -19.332 1.00 40.17 C ATOM 164 NZ LYS A 11 -50.359 40.064 -18.222 1.00 40.27 N ATOM 0 H LYS A 11 -56.350 41.759 -16.602 1.00 41.14 H new ATOM 0 HA LYS A 11 -54.070 40.541 -17.970 1.00 40.38 H new ATOM 0 HB2 LYS A 11 -54.179 43.191 -18.146 1.00 40.21 H new ATOM 0 HB3 LYS A 11 -53.665 43.128 -16.472 1.00 40.21 H new ATOM 0 HG2 LYS A 11 -51.753 43.366 -18.025 1.00 40.53 H new ATOM 0 HG3 LYS A 11 -51.647 41.898 -17.074 1.00 40.53 H new ATOM 0 HD2 LYS A 11 -52.867 40.769 -19.105 1.00 40.45 H new ATOM 0 HD3 LYS A 11 -52.379 42.200 -19.993 1.00 40.45 H new ATOM 0 HE2 LYS A 11 -50.712 40.433 -20.275 1.00 40.17 H new ATOM 0 HE3 LYS A 11 -50.013 41.784 -19.405 1.00 40.17 H new ATOM 0 HZ1 LYS A 11 -49.653 39.381 -18.563 1.00 40.27 H new ATOM 0 HZ2 LYS A 11 -49.955 40.618 -17.440 1.00 40.27 H new ATOM 0 HZ3 LYS A 11 -51.200 39.554 -17.886 1.00 40.27 H new ATOM 178 N LYS A 12 -53.500 39.530 -15.816 1.00 39.13 N ATOM 179 CA LYS A 12 -53.104 38.889 -14.572 1.00 38.46 C ATOM 180 C LYS A 12 -51.608 38.602 -14.594 1.00 37.88 C ATOM 181 O LYS A 12 -51.064 38.221 -15.630 1.00 37.85 O ATOM 182 CB LYS A 12 -53.895 37.593 -14.367 1.00 38.37 C ATOM 183 CG LYS A 12 -53.744 37.002 -12.975 1.00 38.40 C ATOM 184 CD LYS A 12 -55.051 36.414 -12.470 1.00 38.58 C ATOM 185 CE LYS A 12 -54.890 35.784 -11.093 1.00 38.68 C ATOM 186 NZ LYS A 12 -55.330 34.365 -11.079 1.00 38.69 N ATOM 0 H LYS A 12 -53.243 39.007 -16.653 1.00 39.13 H new ATOM 0 HA LYS A 12 -53.322 39.559 -13.741 1.00 38.46 H new ATOM 0 HB2 LYS A 12 -54.950 37.787 -14.558 1.00 38.37 H new ATOM 0 HB3 LYS A 12 -53.568 36.858 -15.102 1.00 38.37 H new ATOM 0 HG2 LYS A 12 -52.978 36.227 -12.990 1.00 38.40 H new ATOM 0 HG3 LYS A 12 -53.402 37.775 -12.286 1.00 38.40 H new ATOM 0 HD2 LYS A 12 -55.809 37.196 -12.426 1.00 38.58 H new ATOM 0 HD3 LYS A 12 -55.408 35.663 -13.174 1.00 38.58 H new ATOM 0 HE2 LYS A 12 -53.846 35.843 -10.786 1.00 38.68 H new ATOM 0 HE3 LYS A 12 -55.469 36.351 -10.364 1.00 38.68 H new ATOM 0 HZ1 LYS A 12 -55.205 33.972 -10.124 1.00 38.69 H new ATOM 0 HZ2 LYS A 12 -56.333 34.310 -11.347 1.00 38.69 H new ATOM 0 HZ3 LYS A 12 -54.760 33.818 -11.756 1.00 38.69 H new ATOM 200 N MET A 13 -50.941 38.841 -13.476 1.00 37.50 N ATOM 201 CA MET A 13 -49.499 38.649 -13.397 1.00 36.98 C ATOM 202 C MET A 13 -49.141 37.716 -12.248 1.00 36.15 C ATOM 203 O MET A 13 -49.605 37.895 -11.123 1.00 35.91 O ATOM 204 CB MET A 13 -48.794 39.995 -13.216 1.00 37.36 C ATOM 205 CG MET A 13 -47.288 39.941 -13.430 1.00 37.17 C ATOM 206 SD MET A 13 -46.795 38.725 -14.669 1.00 37.20 S ATOM 207 CE MET A 13 -46.315 39.797 -16.020 1.00 36.92 C ATOM 0 H MET A 13 -51.373 39.168 -12.612 1.00 37.50 H new ATOM 0 HA MET A 13 -49.164 38.195 -14.330 1.00 36.98 H new ATOM 0 HB2 MET A 13 -49.224 40.715 -13.913 1.00 37.36 H new ATOM 0 HB3 MET A 13 -48.994 40.366 -12.211 1.00 37.36 H new ATOM 0 HG2 MET A 13 -46.934 40.926 -13.735 1.00 37.17 H new ATOM 0 HG3 MET A 13 -46.800 39.706 -12.484 1.00 37.17 H new ATOM 0 HE1 MET A 13 -45.984 39.192 -16.864 1.00 36.92 H new ATOM 0 HE2 MET A 13 -47.167 40.406 -16.321 1.00 36.92 H new ATOM 0 HE3 MET A 13 -45.501 40.446 -15.698 1.00 36.92 H new ATOM 217 N THR A 14 -48.310 36.726 -12.539 1.00 35.77 N ATOM 218 CA THR A 14 -47.861 35.782 -11.530 1.00 35.01 C ATOM 219 C THR A 14 -46.505 36.206 -10.969 1.00 34.25 C ATOM 220 O THR A 14 -45.857 37.109 -11.505 1.00 34.26 O ATOM 221 CB THR A 14 -47.765 34.363 -12.117 1.00 35.04 C ATOM 222 OG1 THR A 14 -48.105 34.391 -13.511 1.00 35.67 O ATOM 223 CG2 THR A 14 -48.699 33.410 -11.392 1.00 35.17 C ATOM 0 H THR A 14 -47.932 36.556 -13.471 1.00 35.77 H new ATOM 0 HA THR A 14 -48.592 35.776 -10.722 1.00 35.01 H new ATOM 0 HB THR A 14 -46.741 34.011 -11.991 1.00 35.04 H new ATOM 0 HG1 THR A 14 -48.041 33.486 -13.882 1.00 35.67 H new ATOM 0 HG21 THR A 14 -48.612 32.414 -11.826 1.00 35.17 H new ATOM 0 HG22 THR A 14 -48.431 33.370 -10.336 1.00 35.17 H new ATOM 0 HG23 THR A 14 -49.726 33.761 -11.492 1.00 35.17 H new ATOM 231 N PHE A 15 -46.090 35.577 -9.878 1.00 33.64 N ATOM 232 CA PHE A 15 -44.825 35.907 -9.234 1.00 32.92 C ATOM 233 C PHE A 15 -43.660 35.274 -9.984 1.00 32.10 C ATOM 234 O PHE A 15 -42.572 35.851 -10.066 1.00 31.56 O ATOM 235 CB PHE A 15 -44.826 35.436 -7.777 1.00 32.71 C ATOM 236 CG PHE A 15 -45.932 36.026 -6.954 1.00 32.75 C ATOM 237 CD1 PHE A 15 -46.081 37.398 -6.857 1.00 32.63 C ATOM 238 CD2 PHE A 15 -46.822 35.207 -6.278 1.00 32.99 C ATOM 239 CE1 PHE A 15 -47.100 37.947 -6.104 1.00 32.74 C ATOM 240 CE2 PHE A 15 -47.843 35.750 -5.520 1.00 33.10 C ATOM 241 CZ PHE A 15 -47.980 37.117 -5.427 1.00 32.99 C ATOM 0 H PHE A 15 -46.613 34.832 -9.418 1.00 33.64 H new ATOM 0 HA PHE A 15 -44.706 36.990 -9.254 1.00 32.92 H new ATOM 0 HB2 PHE A 15 -44.909 34.349 -7.756 1.00 32.71 H new ATOM 0 HB3 PHE A 15 -43.870 35.692 -7.321 1.00 32.71 H new ATOM 0 HD1 PHE A 15 -45.392 38.047 -7.376 1.00 32.63 H new ATOM 0 HD2 PHE A 15 -46.717 34.134 -6.344 1.00 32.99 H new ATOM 0 HE1 PHE A 15 -47.211 39.020 -6.043 1.00 32.74 H new ATOM 0 HE2 PHE A 15 -48.533 35.102 -5.001 1.00 33.10 H new ATOM 0 HZ PHE A 15 -48.772 37.542 -4.828 1.00 32.99 H new ATOM 251 N GLY A 16 -43.896 34.088 -10.527 1.00 32.07 N ATOM 252 CA GLY A 16 -42.871 33.389 -11.271 1.00 31.38 C ATOM 253 C GLY A 16 -41.729 32.932 -10.387 1.00 30.74 C ATOM 254 O GLY A 16 -40.579 33.311 -10.604 1.00 30.29 O ATOM 0 H GLY A 16 -44.787 33.595 -10.464 1.00 32.07 H new ATOM 0 HA2 GLY A 16 -43.311 32.524 -11.768 1.00 31.38 H new ATOM 0 HA3 GLY A 16 -42.483 34.042 -12.053 1.00 31.38 H new ATOM 258 N GLU A 17 -42.047 32.130 -9.382 1.00 30.74 N ATOM 259 CA GLU A 17 -41.038 31.618 -8.466 1.00 30.20 C ATOM 260 C GLU A 17 -40.368 30.383 -9.055 1.00 29.71 C ATOM 261 O GLU A 17 -41.036 29.386 -9.348 1.00 29.63 O ATOM 262 CB GLU A 17 -41.665 31.281 -7.111 1.00 30.52 C ATOM 263 CG GLU A 17 -42.830 32.186 -6.739 1.00 30.95 C ATOM 264 CD GLU A 17 -44.160 31.467 -6.782 1.00 31.17 C ATOM 265 OE1 GLU A 17 -44.772 31.398 -7.866 1.00 31.28 O ATOM 266 OE2 GLU A 17 -44.606 30.967 -5.728 1.00 31.29 O ATOM 0 H GLU A 17 -42.997 31.819 -9.180 1.00 30.74 H new ATOM 0 HA GLU A 17 -40.284 32.391 -8.317 1.00 30.20 H new ATOM 0 HB2 GLU A 17 -42.009 30.247 -7.126 1.00 30.52 H new ATOM 0 HB3 GLU A 17 -40.900 31.351 -6.338 1.00 30.52 H new ATOM 0 HG2 GLU A 17 -42.669 32.586 -5.738 1.00 30.95 H new ATOM 0 HG3 GLU A 17 -42.858 33.036 -7.421 1.00 30.95 H new ATOM 273 N ASN A 18 -39.071 30.483 -9.312 1.00 29.45 N ATOM 274 CA ASN A 18 -38.330 29.395 -9.938 1.00 29.03 C ATOM 275 C ASN A 18 -37.981 28.313 -8.918 1.00 28.24 C ATOM 276 O ASN A 18 -38.625 27.262 -8.876 1.00 28.03 O ATOM 277 CB ASN A 18 -37.063 29.935 -10.612 1.00 29.10 C ATOM 278 CG ASN A 18 -36.231 28.841 -11.251 1.00 28.93 C ATOM 279 OD1 ASN A 18 -35.244 28.374 -10.678 1.00 28.81 O ATOM 280 ND2 ASN A 18 -36.626 28.422 -12.443 1.00 29.02 N ATOM 0 H ASN A 18 -38.509 31.307 -9.097 1.00 29.45 H new ATOM 0 HA ASN A 18 -38.964 28.943 -10.701 1.00 29.03 H new ATOM 0 HB2 ASN A 18 -37.343 30.664 -11.372 1.00 29.10 H new ATOM 0 HB3 ASN A 18 -36.459 30.461 -9.873 1.00 29.10 H new ATOM 0 HD21 ASN A 18 -36.108 27.686 -12.922 1.00 29.02 H new ATOM 0 HD22 ASN A 18 -37.449 28.835 -12.882 1.00 29.02 H new ATOM 287 N ARG A 19 -36.983 28.594 -8.081 1.00 27.89 N ATOM 288 CA ARG A 19 -36.532 27.666 -7.040 1.00 27.19 C ATOM 289 C ARG A 19 -36.172 26.302 -7.630 1.00 26.47 C ATOM 290 O ARG A 19 -36.482 25.256 -7.053 1.00 26.25 O ATOM 291 CB ARG A 19 -37.601 27.512 -5.951 1.00 27.23 C ATOM 292 CG ARG A 19 -37.332 28.350 -4.710 1.00 27.00 C ATOM 293 CD ARG A 19 -36.523 27.580 -3.680 1.00 27.20 C ATOM 294 NE ARG A 19 -35.091 27.603 -3.981 1.00 27.45 N ATOM 295 CZ ARG A 19 -34.232 26.659 -3.600 1.00 27.94 C ATOM 296 NH1 ARG A 19 -34.646 25.625 -2.876 1.00 28.23 N ATOM 297 NH2 ARG A 19 -32.951 26.757 -3.933 1.00 28.23 N ATOM 0 H ARG A 19 -36.463 29.471 -8.104 1.00 27.89 H new ATOM 0 HA ARG A 19 -35.633 28.086 -6.589 1.00 27.19 H new ATOM 0 HB2 ARG A 19 -38.571 27.790 -6.364 1.00 27.23 H new ATOM 0 HB3 ARG A 19 -37.666 26.463 -5.663 1.00 27.23 H new ATOM 0 HG2 ARG A 19 -36.796 29.256 -4.991 1.00 27.00 H new ATOM 0 HG3 ARG A 19 -38.279 28.664 -4.270 1.00 27.00 H new ATOM 0 HD2 ARG A 19 -36.693 28.007 -2.692 1.00 27.20 H new ATOM 0 HD3 ARG A 19 -36.870 26.547 -3.645 1.00 27.20 H new ATOM 0 HE ARG A 19 -34.728 28.392 -4.516 1.00 27.45 H new ATOM 0 HH11 ARG A 19 -35.627 25.550 -2.608 1.00 28.23 H new ATOM 0 HH12 ARG A 19 -33.982 24.906 -2.588 1.00 28.23 H new ATOM 0 HH21 ARG A 19 -32.626 27.554 -4.480 1.00 28.23 H new ATOM 0 HH22 ARG A 19 -32.292 26.035 -3.642 1.00 28.23 H new ATOM 311 N ASP A 20 -35.566 26.319 -8.811 1.00 26.17 N ATOM 312 CA ASP A 20 -35.219 25.088 -9.511 1.00 25.54 C ATOM 313 C ASP A 20 -33.774 25.121 -9.995 1.00 24.65 C ATOM 314 O ASP A 20 -33.131 24.079 -10.140 1.00 24.53 O ATOM 315 CB ASP A 20 -36.166 24.868 -10.696 1.00 26.03 C ATOM 316 CG ASP A 20 -35.830 23.620 -11.486 1.00 25.70 C ATOM 317 OD1 ASP A 20 -35.869 22.512 -10.905 1.00 25.72 O ATOM 318 OD2 ASP A 20 -35.533 23.739 -12.693 1.00 25.48 O ATOM 0 H ASP A 20 -35.304 27.172 -9.305 1.00 26.17 H new ATOM 0 HA ASP A 20 -35.325 24.259 -8.811 1.00 25.54 H new ATOM 0 HB2 ASP A 20 -37.190 24.797 -10.330 1.00 26.03 H new ATOM 0 HB3 ASP A 20 -36.123 25.734 -11.356 1.00 26.03 H new ATOM 323 N LEU A 21 -33.253 26.321 -10.216 1.00 24.13 N ATOM 324 CA LEU A 21 -31.884 26.495 -10.686 1.00 23.35 C ATOM 325 C LEU A 21 -30.888 26.360 -9.533 1.00 22.33 C ATOM 326 O LEU A 21 -30.026 27.221 -9.333 1.00 21.99 O ATOM 327 CB LEU A 21 -31.732 27.864 -11.353 1.00 23.63 C ATOM 328 CG LEU A 21 -31.622 27.838 -12.880 1.00 23.70 C ATOM 329 CD1 LEU A 21 -32.951 28.209 -13.523 1.00 24.80 C ATOM 330 CD2 LEU A 21 -30.524 28.779 -13.347 1.00 23.44 C ATOM 0 H LEU A 21 -33.762 27.194 -10.076 1.00 24.13 H new ATOM 0 HA LEU A 21 -31.669 25.713 -11.415 1.00 23.35 H new ATOM 0 HB2 LEU A 21 -32.587 28.481 -11.077 1.00 23.63 H new ATOM 0 HB3 LEU A 21 -30.844 28.350 -10.949 1.00 23.63 H new ATOM 0 HG LEU A 21 -31.366 26.824 -13.188 1.00 23.70 H new ATOM 0 HD11 LEU A 21 -32.850 28.184 -14.608 1.00 24.80 H new ATOM 0 HD12 LEU A 21 -33.716 27.497 -13.214 1.00 24.80 H new ATOM 0 HD13 LEU A 21 -33.240 29.212 -13.208 1.00 24.80 H new ATOM 0 HD21 LEU A 21 -30.458 28.750 -14.435 1.00 23.44 H new ATOM 0 HD22 LEU A 21 -30.754 29.795 -13.025 1.00 23.44 H new ATOM 0 HD23 LEU A 21 -29.572 28.469 -12.917 1.00 23.44 H new ATOM 342 N GLU A 22 -31.007 25.276 -8.777 1.00 21.92 N ATOM 343 CA GLU A 22 -30.126 25.031 -7.646 1.00 21.00 C ATOM 344 C GLU A 22 -29.016 24.061 -8.031 1.00 20.38 C ATOM 345 O GLU A 22 -29.272 23.000 -8.604 1.00 20.63 O ATOM 346 CB GLU A 22 -30.921 24.477 -6.458 1.00 21.11 C ATOM 347 CG GLU A 22 -30.057 24.123 -5.258 1.00 21.38 C ATOM 348 CD GLU A 22 -30.841 24.078 -3.964 1.00 21.67 C ATOM 349 OE1 GLU A 22 -30.970 25.129 -3.307 1.00 21.81 O ATOM 350 OE2 GLU A 22 -31.334 22.989 -3.601 1.00 21.86 O ATOM 0 H GLU A 22 -31.708 24.551 -8.929 1.00 21.92 H new ATOM 0 HA GLU A 22 -29.674 25.979 -7.354 1.00 21.00 H new ATOM 0 HB2 GLU A 22 -31.665 25.214 -6.155 1.00 21.11 H new ATOM 0 HB3 GLU A 22 -31.465 23.588 -6.778 1.00 21.11 H new ATOM 0 HG2 GLU A 22 -29.588 23.154 -5.427 1.00 21.38 H new ATOM 0 HG3 GLU A 22 -29.254 24.854 -5.166 1.00 21.38 H new ATOM 357 N ARG A 23 -27.791 24.421 -7.689 1.00 19.67 N ATOM 358 CA ARG A 23 -26.637 23.578 -7.951 1.00 19.08 C ATOM 359 C ARG A 23 -25.820 23.415 -6.678 1.00 18.24 C ATOM 360 O ARG A 23 -25.412 24.402 -6.064 1.00 17.96 O ATOM 361 CB ARG A 23 -25.773 24.187 -9.054 1.00 19.09 C ATOM 362 CG ARG A 23 -25.257 23.174 -10.060 1.00 19.33 C ATOM 363 CD ARG A 23 -26.322 22.810 -11.078 1.00 19.75 C ATOM 364 NE ARG A 23 -26.805 23.973 -11.825 1.00 20.13 N ATOM 365 CZ ARG A 23 -28.044 24.089 -12.305 1.00 20.90 C ATOM 366 NH1 ARG A 23 -28.939 23.136 -12.061 1.00 21.36 N ATOM 367 NH2 ARG A 23 -28.386 25.153 -13.019 1.00 21.30 N ATOM 0 H ARG A 23 -27.569 25.301 -7.224 1.00 19.67 H new ATOM 0 HA ARG A 23 -26.983 22.599 -8.282 1.00 19.08 H new ATOM 0 HB2 ARG A 23 -26.354 24.944 -9.581 1.00 19.09 H new ATOM 0 HB3 ARG A 23 -24.924 24.696 -8.598 1.00 19.09 H new ATOM 0 HG2 ARG A 23 -24.385 23.580 -10.573 1.00 19.33 H new ATOM 0 HG3 ARG A 23 -24.929 22.275 -9.538 1.00 19.33 H new ATOM 0 HD2 ARG A 23 -25.918 22.077 -11.776 1.00 19.75 H new ATOM 0 HD3 ARG A 23 -27.161 22.336 -10.568 1.00 19.75 H new ATOM 0 HE ARG A 23 -26.154 24.741 -11.988 1.00 20.13 H new ATOM 0 HH11 ARG A 23 -28.677 22.320 -11.508 1.00 21.36 H new ATOM 0 HH12 ARG A 23 -29.887 23.221 -12.426 1.00 21.36 H new ATOM 0 HH21 ARG A 23 -27.701 25.886 -13.203 1.00 21.30 H new ATOM 0 HH22 ARG A 23 -29.334 25.239 -13.385 1.00 21.30 H new ATOM 381 N VAL A 24 -25.621 22.180 -6.258 1.00 17.96 N ATOM 382 CA VAL A 24 -24.880 21.898 -5.040 1.00 17.23 C ATOM 383 C VAL A 24 -23.437 21.537 -5.362 1.00 16.44 C ATOM 384 O VAL A 24 -23.173 20.779 -6.296 1.00 16.45 O ATOM 385 CB VAL A 24 -25.520 20.751 -4.231 1.00 17.51 C ATOM 386 CG1 VAL A 24 -25.082 20.812 -2.777 1.00 16.96 C ATOM 387 CG2 VAL A 24 -27.036 20.795 -4.332 1.00 18.40 C ATOM 0 H VAL A 24 -25.963 21.351 -6.744 1.00 17.96 H new ATOM 0 HA VAL A 24 -24.907 22.804 -4.435 1.00 17.23 H new ATOM 0 HB VAL A 24 -25.178 19.807 -4.656 1.00 17.51 H new ATOM 0 HG11 VAL A 24 -25.544 19.995 -2.223 1.00 16.96 H new ATOM 0 HG12 VAL A 24 -23.997 20.721 -2.720 1.00 16.96 H new ATOM 0 HG13 VAL A 24 -25.390 21.764 -2.344 1.00 16.96 H new ATOM 0 HG21 VAL A 24 -27.463 19.976 -3.753 1.00 18.40 H new ATOM 0 HG22 VAL A 24 -27.399 21.745 -3.940 1.00 18.40 H new ATOM 0 HG23 VAL A 24 -27.334 20.696 -5.376 1.00 18.40 H new ATOM 397 N VAL A 25 -22.509 22.107 -4.610 1.00 15.87 N ATOM 398 CA VAL A 25 -21.093 21.844 -4.815 1.00 15.18 C ATOM 399 C VAL A 25 -20.514 21.098 -3.619 1.00 14.49 C ATOM 400 O VAL A 25 -20.244 21.689 -2.569 1.00 14.22 O ATOM 401 CB VAL A 25 -20.288 23.144 -5.046 1.00 15.12 C ATOM 402 CG1 VAL A 25 -18.975 22.843 -5.753 1.00 15.22 C ATOM 403 CG2 VAL A 25 -21.100 24.158 -5.842 1.00 15.32 C ATOM 0 H VAL A 25 -22.711 22.757 -3.850 1.00 15.87 H new ATOM 0 HA VAL A 25 -21.009 21.230 -5.712 1.00 15.18 H new ATOM 0 HB VAL A 25 -20.066 23.578 -4.071 1.00 15.12 H new ATOM 0 HG11 VAL A 25 -18.423 23.771 -5.906 1.00 15.22 H new ATOM 0 HG12 VAL A 25 -18.380 22.164 -5.142 1.00 15.22 H new ATOM 0 HG13 VAL A 25 -19.179 22.379 -6.718 1.00 15.22 H new ATOM 0 HG21 VAL A 25 -20.509 25.062 -5.989 1.00 15.32 H new ATOM 0 HG22 VAL A 25 -21.362 23.734 -6.811 1.00 15.32 H new ATOM 0 HG23 VAL A 25 -22.010 24.405 -5.296 1.00 15.32 H new ATOM 413 N THR A 26 -20.358 19.794 -3.767 1.00 14.33 N ATOM 414 CA THR A 26 -19.833 18.954 -2.705 1.00 13.78 C ATOM 415 C THR A 26 -18.553 18.261 -3.167 1.00 13.06 C ATOM 416 O THR A 26 -18.539 17.055 -3.412 1.00 13.24 O ATOM 417 CB THR A 26 -20.876 17.897 -2.275 1.00 14.30 C ATOM 418 OG1 THR A 26 -22.205 18.390 -2.515 1.00 15.24 O ATOM 419 CG2 THR A 26 -20.722 17.539 -0.804 1.00 14.19 C ATOM 0 H THR A 26 -20.590 19.290 -4.623 1.00 14.33 H new ATOM 0 HA THR A 26 -19.608 19.588 -1.848 1.00 13.78 H new ATOM 0 HB THR A 26 -20.707 16.998 -2.868 1.00 14.30 H new ATOM 0 HG1 THR A 26 -22.859 17.714 -2.241 1.00 15.24 H new ATOM 0 HG21 THR A 26 -21.469 16.794 -0.531 1.00 14.19 H new ATOM 0 HG22 THR A 26 -19.725 17.134 -0.631 1.00 14.19 H new ATOM 0 HG23 THR A 26 -20.862 18.433 -0.196 1.00 14.19 H new ATOM 427 N ALA A 27 -17.502 19.047 -3.370 1.00 12.38 N ATOM 428 CA ALA A 27 -16.250 18.523 -3.891 1.00 11.72 C ATOM 429 C ALA A 27 -15.162 18.534 -2.825 1.00 10.95 C ATOM 430 O ALA A 27 -14.551 19.573 -2.557 1.00 10.49 O ATOM 431 CB ALA A 27 -15.815 19.325 -5.108 1.00 11.52 C ATOM 0 H ALA A 27 -17.494 20.049 -3.181 1.00 12.38 H new ATOM 0 HA ALA A 27 -16.411 17.487 -4.190 1.00 11.72 H new ATOM 0 HB1 ALA A 27 -14.876 18.925 -5.491 1.00 11.52 H new ATOM 0 HB2 ALA A 27 -16.581 19.257 -5.881 1.00 11.52 H new ATOM 0 HB3 ALA A 27 -15.676 20.369 -4.825 1.00 11.52 H new ATOM 437 N PRO A 28 -14.893 17.370 -2.215 1.00 10.96 N ATOM 438 CA PRO A 28 -13.854 17.227 -1.193 1.00 10.40 C ATOM 439 C PRO A 28 -12.461 17.459 -1.768 1.00 9.29 C ATOM 440 O PRO A 28 -12.012 16.719 -2.648 1.00 9.03 O ATOM 441 CB PRO A 28 -14.000 15.773 -0.717 1.00 11.01 C ATOM 442 CG PRO A 28 -15.322 15.315 -1.235 1.00 11.79 C ATOM 443 CD PRO A 28 -15.557 16.092 -2.494 1.00 11.72 C ATOM 0 HA PRO A 28 -13.968 17.956 -0.391 1.00 10.40 H new ATOM 0 HB2 PRO A 28 -13.191 15.151 -1.101 1.00 11.01 H new ATOM 0 HB3 PRO A 28 -13.961 15.710 0.371 1.00 11.01 H new ATOM 0 HG2 PRO A 28 -15.315 14.243 -1.432 1.00 11.79 H new ATOM 0 HG3 PRO A 28 -16.113 15.500 -0.508 1.00 11.79 H new ATOM 0 HD2 PRO A 28 -15.127 15.594 -3.363 1.00 11.72 H new ATOM 0 HD3 PRO A 28 -16.620 16.224 -2.696 1.00 11.72 H new ATOM 451 N VAL A 29 -11.798 18.511 -1.300 1.00 8.79 N ATOM 452 CA VAL A 29 -10.474 18.861 -1.795 1.00 7.84 C ATOM 453 C VAL A 29 -9.476 17.736 -1.511 1.00 7.19 C ATOM 454 O VAL A 29 -9.164 17.428 -0.357 1.00 7.22 O ATOM 455 CB VAL A 29 -9.975 20.197 -1.192 1.00 7.91 C ATOM 456 CG1 VAL A 29 -10.150 20.223 0.319 1.00 7.97 C ATOM 457 CG2 VAL A 29 -8.525 20.460 -1.576 1.00 8.51 C ATOM 0 H VAL A 29 -12.157 19.136 -0.578 1.00 8.79 H new ATOM 0 HA VAL A 29 -10.551 18.994 -2.874 1.00 7.84 H new ATOM 0 HB VAL A 29 -10.587 20.997 -1.610 1.00 7.91 H new ATOM 0 HG11 VAL A 29 -9.790 21.174 0.711 1.00 7.97 H new ATOM 0 HG12 VAL A 29 -11.205 20.105 0.565 1.00 7.97 H new ATOM 0 HG13 VAL A 29 -9.580 19.408 0.765 1.00 7.97 H new ATOM 0 HG21 VAL A 29 -8.199 21.404 -1.140 1.00 8.51 H new ATOM 0 HG22 VAL A 29 -7.897 19.651 -1.202 1.00 8.51 H new ATOM 0 HG23 VAL A 29 -8.440 20.513 -2.661 1.00 8.51 H new ATOM 467 N SER A 30 -9.055 17.065 -2.572 1.00 6.88 N ATOM 468 CA SER A 30 -8.155 15.932 -2.458 1.00 6.51 C ATOM 469 C SER A 30 -6.728 16.349 -2.800 1.00 5.49 C ATOM 470 O SER A 30 -6.452 16.813 -3.906 1.00 5.34 O ATOM 471 CB SER A 30 -8.632 14.807 -3.382 1.00 7.14 C ATOM 472 OG SER A 30 -10.003 14.987 -3.722 1.00 8.11 O ATOM 0 H SER A 30 -9.326 17.290 -3.529 1.00 6.88 H new ATOM 0 HA SER A 30 -8.160 15.569 -1.430 1.00 6.51 H new ATOM 0 HB2 SER A 30 -8.026 14.791 -4.288 1.00 7.14 H new ATOM 0 HB3 SER A 30 -8.497 13.843 -2.891 1.00 7.14 H new ATOM 0 HG SER A 30 -10.291 14.261 -4.314 1.00 8.11 H new ATOM 478 N SER A 31 -5.854 16.283 -1.807 1.00 5.13 N ATOM 479 CA SER A 31 -4.474 16.721 -1.959 1.00 4.45 C ATOM 480 C SER A 31 -3.698 15.798 -2.898 1.00 3.89 C ATOM 481 O SER A 31 -3.405 14.652 -2.556 1.00 4.19 O ATOM 482 CB SER A 31 -3.795 16.766 -0.590 1.00 4.99 C ATOM 483 OG SER A 31 -4.747 16.936 0.451 1.00 5.80 O ATOM 0 H SER A 31 -6.079 15.927 -0.878 1.00 5.13 H new ATOM 0 HA SER A 31 -4.478 17.719 -2.398 1.00 4.45 H new ATOM 0 HB2 SER A 31 -3.236 15.844 -0.428 1.00 4.99 H new ATOM 0 HB3 SER A 31 -3.075 17.584 -0.565 1.00 4.99 H new ATOM 0 HG SER A 31 -4.286 16.960 1.315 1.00 5.80 H new ATOM 489 N GLY A 32 -3.328 16.319 -4.059 1.00 3.41 N ATOM 490 CA GLY A 32 -2.560 15.541 -5.010 1.00 3.15 C ATOM 491 C GLY A 32 -1.075 15.606 -4.728 1.00 2.12 C ATOM 492 O GLY A 32 -0.288 15.993 -5.590 1.00 2.44 O ATOM 0 H GLY A 32 -3.546 17.269 -4.360 1.00 3.41 H new ATOM 0 HA2 GLY A 32 -2.890 14.503 -4.979 1.00 3.15 H new ATOM 0 HA3 GLY A 32 -2.754 15.907 -6.018 1.00 3.15 H new ATOM 496 N LYS A 33 -0.692 15.255 -3.509 1.00 1.50 N ATOM 497 CA LYS A 33 0.705 15.296 -3.100 1.00 0.87 C ATOM 498 C LYS A 33 1.204 13.896 -2.775 1.00 0.73 C ATOM 499 O LYS A 33 2.239 13.726 -2.128 1.00 0.87 O ATOM 500 CB LYS A 33 0.878 16.212 -1.886 1.00 1.50 C ATOM 501 CG LYS A 33 1.661 17.478 -2.191 1.00 2.21 C ATOM 502 CD LYS A 33 2.793 17.689 -1.202 1.00 3.19 C ATOM 503 CE LYS A 33 3.643 18.891 -1.582 1.00 4.16 C ATOM 504 NZ LYS A 33 4.897 18.967 -0.783 1.00 4.98 N ATOM 0 H LYS A 33 -1.333 14.937 -2.782 1.00 1.50 H new ATOM 0 HA LYS A 33 1.295 15.694 -3.926 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -0.105 16.485 -1.504 1.00 1.50 H new ATOM 0 HB3 LYS A 33 1.386 15.661 -1.094 1.00 1.50 H new ATOM 0 HG2 LYS A 33 2.066 17.421 -3.201 1.00 2.21 H new ATOM 0 HG3 LYS A 33 0.990 18.336 -2.165 1.00 2.21 H new ATOM 0 HD2 LYS A 33 2.383 17.833 -0.202 1.00 3.19 H new ATOM 0 HD3 LYS A 33 3.418 16.796 -1.165 1.00 3.19 H new ATOM 0 HE2 LYS A 33 3.892 18.838 -2.642 1.00 4.16 H new ATOM 0 HE3 LYS A 33 3.065 19.804 -1.436 1.00 4.16 H new ATOM 0 HZ1 LYS A 33 5.445 19.801 -1.075 1.00 4.98 H new ATOM 0 HZ2 LYS A 33 4.661 19.044 0.227 1.00 4.98 H new ATOM 0 HZ3 LYS A 33 5.462 18.109 -0.942 1.00 4.98 H new ATOM 518 N ILE A 34 0.470 12.901 -3.242 1.00 0.64 N ATOM 519 CA ILE A 34 0.841 11.513 -3.030 1.00 0.59 C ATOM 520 C ILE A 34 1.084 10.824 -4.363 1.00 0.52 C ATOM 521 O ILE A 34 0.397 11.096 -5.349 1.00 0.59 O ATOM 522 CB ILE A 34 -0.228 10.735 -2.235 1.00 0.65 C ATOM 523 CG1 ILE A 34 -1.509 11.563 -2.080 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.322 10.348 -0.871 1.00 1.06 C ATOM 525 CD1 ILE A 34 -2.691 10.764 -1.580 1.00 1.67 C ATOM 0 H ILE A 34 -0.391 13.030 -3.773 1.00 0.64 H new ATOM 0 HA ILE A 34 1.758 11.515 -2.440 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.479 9.830 -2.788 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -1.319 12.385 -1.390 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -1.763 12.007 -3.042 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.438 9.799 -0.315 1.00 1.06 H new ATOM 0 HG22 ILE A 34 1.203 9.719 -0.999 1.00 1.06 H new ATOM 0 HG23 ILE A 34 0.595 11.248 -0.320 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -3.561 11.415 -1.495 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.908 9.958 -2.281 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.457 10.342 -0.603 1.00 1.67 H new ATOM 537 N LYS A 35 2.111 9.997 -4.404 1.00 0.50 N ATOM 538 CA LYS A 35 2.500 9.304 -5.617 1.00 0.49 C ATOM 539 C LYS A 35 2.389 7.801 -5.410 1.00 0.44 C ATOM 540 O LYS A 35 2.884 7.276 -4.420 1.00 0.47 O ATOM 541 CB LYS A 35 3.931 9.697 -6.005 1.00 0.59 C ATOM 542 CG LYS A 35 4.210 11.184 -5.862 1.00 0.92 C ATOM 543 CD LYS A 35 4.306 11.866 -7.214 1.00 1.10 C ATOM 544 CE LYS A 35 2.933 12.152 -7.797 1.00 1.08 C ATOM 545 NZ LYS A 35 2.958 13.293 -8.749 1.00 1.27 N ATOM 0 H LYS A 35 2.699 9.787 -3.598 1.00 0.50 H new ATOM 0 HA LYS A 35 1.832 9.591 -6.429 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.633 9.142 -5.383 1.00 0.59 H new ATOM 0 HB3 LYS A 35 4.114 9.398 -7.037 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.418 11.649 -5.275 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.141 11.329 -5.313 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.860 12.799 -7.112 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.869 11.234 -7.901 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.564 11.262 -8.307 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.234 12.369 -6.989 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 2.001 13.454 -9.123 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 3.286 14.149 -8.257 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.605 13.076 -9.534 1.00 1.27 H new ATOM 559 N ARG A 36 1.669 7.125 -6.292 1.00 0.52 N ATOM 560 CA ARG A 36 1.401 5.702 -6.112 1.00 0.53 C ATOM 561 C ARG A 36 2.277 4.862 -7.024 1.00 0.56 C ATOM 562 O ARG A 36 2.380 5.125 -8.224 1.00 0.76 O ATOM 563 CB ARG A 36 -0.071 5.385 -6.384 1.00 0.64 C ATOM 564 CG ARG A 36 -1.010 6.558 -6.156 1.00 1.17 C ATOM 565 CD ARG A 36 -2.013 6.687 -7.289 1.00 1.51 C ATOM 566 NE ARG A 36 -3.157 5.798 -7.105 1.00 2.02 N ATOM 567 CZ ARG A 36 -4.398 6.217 -6.871 1.00 2.75 C ATOM 568 NH1 ARG A 36 -4.670 7.518 -6.828 1.00 2.99 N ATOM 569 NH2 ARG A 36 -5.367 5.331 -6.683 1.00 3.65 N ATOM 0 H ARG A 36 1.262 7.532 -7.134 1.00 0.52 H new ATOM 0 HA ARG A 36 1.632 5.455 -5.076 1.00 0.53 H new ATOM 0 HB2 ARG A 36 -0.174 5.046 -7.415 1.00 0.64 H new ATOM 0 HB3 ARG A 36 -0.378 4.558 -5.744 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -1.539 6.426 -5.212 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.432 7.479 -6.072 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.360 7.718 -7.351 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -1.523 6.458 -8.236 1.00 1.51 H new ATOM 0 HE ARG A 36 -2.994 4.793 -7.159 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -3.926 8.200 -6.975 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -5.623 7.834 -6.648 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -5.159 4.333 -6.718 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -6.320 5.648 -6.503 1.00 3.65 H new ATOM 583 N VAL A 37 2.926 3.872 -6.439 1.00 0.49 N ATOM 584 CA VAL A 37 3.823 2.996 -7.178 1.00 0.56 C ATOM 585 C VAL A 37 3.521 1.535 -6.856 1.00 0.53 C ATOM 586 O VAL A 37 3.466 1.142 -5.693 1.00 0.55 O ATOM 587 CB VAL A 37 5.304 3.323 -6.860 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.217 2.134 -7.127 1.00 1.04 C ATOM 589 CG2 VAL A 37 5.766 4.538 -7.658 1.00 1.26 C ATOM 0 H VAL A 37 2.849 3.652 -5.446 1.00 0.49 H new ATOM 0 HA VAL A 37 3.660 3.162 -8.243 1.00 0.56 H new ATOM 0 HB VAL A 37 5.367 3.553 -5.796 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.246 2.405 -6.891 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.912 1.294 -6.504 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.148 1.851 -8.177 1.00 1.04 H new ATOM 0 HG21 VAL A 37 6.808 4.753 -7.422 1.00 1.26 H new ATOM 0 HG22 VAL A 37 5.670 4.331 -8.724 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.150 5.399 -7.399 1.00 1.26 H new ATOM 599 N ASN A 38 3.275 0.752 -7.893 1.00 0.55 N ATOM 600 CA ASN A 38 2.939 -0.658 -7.736 1.00 0.56 C ATOM 601 C ASN A 38 4.143 -1.519 -8.081 1.00 0.49 C ATOM 602 O ASN A 38 4.735 -1.372 -9.151 1.00 0.57 O ATOM 603 CB ASN A 38 1.759 -1.023 -8.646 1.00 0.74 C ATOM 604 CG ASN A 38 1.095 -2.334 -8.271 1.00 0.81 C ATOM 605 OD1 ASN A 38 0.078 -2.351 -7.576 1.00 1.53 O ATOM 606 ND2 ASN A 38 1.649 -3.440 -8.745 1.00 1.00 N ATOM 0 H ASN A 38 3.302 1.070 -8.862 1.00 0.55 H new ATOM 0 HA ASN A 38 2.656 -0.840 -6.699 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.018 -0.224 -8.607 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.109 -1.083 -9.677 1.00 0.74 H new ATOM 0 HD21 ASN A 38 1.233 -4.348 -8.538 1.00 1.00 H new ATOM 0 HD22 ASN A 38 2.492 -3.384 -9.317 1.00 1.00 H new ATOM 613 N VAL A 39 4.549 -2.365 -7.148 1.00 0.41 N ATOM 614 CA VAL A 39 5.728 -3.194 -7.342 1.00 0.44 C ATOM 615 C VAL A 39 5.476 -4.629 -6.907 1.00 0.42 C ATOM 616 O VAL A 39 4.578 -4.902 -6.106 1.00 0.48 O ATOM 617 CB VAL A 39 6.948 -2.651 -6.574 1.00 0.61 C ATOM 618 CG1 VAL A 39 7.872 -1.902 -7.518 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.515 -1.763 -5.415 1.00 0.63 C ATOM 0 H VAL A 39 4.081 -2.496 -6.251 1.00 0.41 H new ATOM 0 HA VAL A 39 5.943 -3.169 -8.410 1.00 0.44 H new ATOM 0 HB VAL A 39 7.494 -3.496 -6.155 1.00 0.61 H new ATOM 0 HG11 VAL A 39 8.730 -1.523 -6.963 1.00 1.24 H new ATOM 0 HG12 VAL A 39 8.216 -2.577 -8.302 1.00 1.24 H new ATOM 0 HG13 VAL A 39 7.334 -1.068 -7.968 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.396 -1.394 -4.891 1.00 0.63 H new ATOM 0 HG22 VAL A 39 5.941 -0.919 -5.798 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.898 -2.339 -4.726 1.00 0.63 H new ATOM 629 N ASN A 40 6.301 -5.530 -7.415 1.00 0.46 N ATOM 630 CA ASN A 40 6.214 -6.941 -7.072 1.00 0.51 C ATOM 631 C ASN A 40 7.349 -7.315 -6.134 1.00 0.44 C ATOM 632 O ASN A 40 8.520 -7.066 -6.432 1.00 0.56 O ATOM 633 CB ASN A 40 6.270 -7.818 -8.330 1.00 0.67 C ATOM 634 CG ASN A 40 5.818 -7.090 -9.582 1.00 1.45 C ATOM 635 OD1 ASN A 40 4.648 -7.149 -9.961 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.741 -6.397 -10.230 1.00 2.13 N ATOM 0 H ASN A 40 7.047 -5.306 -8.074 1.00 0.46 H new ATOM 0 HA ASN A 40 5.259 -7.113 -6.576 1.00 0.51 H new ATOM 0 HB2 ASN A 40 7.290 -8.175 -8.472 1.00 0.67 H new ATOM 0 HB3 ASN A 40 5.643 -8.697 -8.181 1.00 0.67 H new ATOM 0 HD21 ASN A 40 6.494 -5.886 -11.077 1.00 2.13 H new ATOM 0 HD22 ASN A 40 7.700 -6.374 -9.882 1.00 2.13 H new ATOM 643 N PHE A 41 7.000 -7.890 -4.996 1.00 0.40 N ATOM 644 CA PHE A 41 7.990 -8.281 -4.002 1.00 0.45 C ATOM 645 C PHE A 41 8.060 -9.793 -3.893 1.00 0.45 C ATOM 646 O PHE A 41 7.055 -10.474 -4.051 1.00 0.56 O ATOM 647 CB PHE A 41 7.648 -7.672 -2.640 1.00 0.62 C ATOM 648 CG PHE A 41 7.825 -6.183 -2.594 1.00 0.54 C ATOM 649 CD1 PHE A 41 8.708 -5.550 -3.454 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.107 -5.419 -1.694 1.00 1.14 C ATOM 651 CE1 PHE A 41 8.867 -4.183 -3.418 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.266 -4.048 -1.652 1.00 1.16 C ATOM 653 CZ PHE A 41 8.149 -3.432 -2.512 1.00 0.75 C ATOM 0 H PHE A 41 6.036 -8.098 -4.735 1.00 0.40 H new ATOM 0 HA PHE A 41 8.963 -7.906 -4.319 1.00 0.45 H new ATOM 0 HB2 PHE A 41 6.616 -7.916 -2.390 1.00 0.62 H new ATOM 0 HB3 PHE A 41 8.278 -8.129 -1.877 1.00 0.62 H new ATOM 0 HD1 PHE A 41 9.278 -6.135 -4.160 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.415 -5.898 -1.017 1.00 1.14 H new ATOM 0 HE1 PHE A 41 9.553 -3.700 -4.098 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.699 -3.459 -0.946 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.279 -2.360 -2.476 1.00 0.75 H new ATOM 663 N ASP A 42 9.245 -10.311 -3.638 1.00 0.45 N ATOM 664 CA ASP A 42 9.449 -11.748 -3.534 1.00 0.47 C ATOM 665 C ASP A 42 8.777 -12.306 -2.286 1.00 0.40 C ATOM 666 O ASP A 42 8.635 -11.606 -1.285 1.00 0.35 O ATOM 667 CB ASP A 42 10.942 -12.064 -3.508 1.00 0.62 C ATOM 668 CG ASP A 42 11.222 -13.545 -3.615 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.303 -14.058 -4.746 1.00 1.35 O ATOM 670 OD2 ASP A 42 11.363 -14.206 -2.568 1.00 1.38 O ATOM 0 H ASP A 42 10.089 -9.756 -3.498 1.00 0.45 H new ATOM 0 HA ASP A 42 8.997 -12.220 -4.406 1.00 0.47 H new ATOM 0 HB2 ASP A 42 11.434 -11.544 -4.330 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.375 -11.681 -2.584 1.00 0.62 H new ATOM 675 N GLU A 43 8.338 -13.557 -2.359 1.00 0.46 N ATOM 676 CA GLU A 43 7.647 -14.197 -1.245 1.00 0.48 C ATOM 677 C GLU A 43 8.554 -14.330 -0.026 1.00 0.40 C ATOM 678 O GLU A 43 8.102 -14.174 1.108 1.00 0.42 O ATOM 679 CB GLU A 43 7.133 -15.576 -1.655 1.00 0.65 C ATOM 680 CG GLU A 43 5.684 -15.831 -1.265 1.00 1.08 C ATOM 681 CD GLU A 43 5.536 -16.399 0.134 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.380 -17.231 0.534 1.00 1.45 O ATOM 683 OE2 GLU A 43 4.585 -16.014 0.844 1.00 1.28 O ATOM 0 H GLU A 43 8.449 -14.151 -3.181 1.00 0.46 H new ATOM 0 HA GLU A 43 6.803 -13.562 -0.977 1.00 0.48 H new ATOM 0 HB2 GLU A 43 7.234 -15.685 -2.735 1.00 0.65 H new ATOM 0 HB3 GLU A 43 7.763 -16.339 -1.198 1.00 0.65 H new ATOM 0 HG2 GLU A 43 5.126 -14.897 -1.333 1.00 1.08 H new ATOM 0 HG3 GLU A 43 5.237 -16.522 -1.980 1.00 1.08 H new ATOM 690 N GLU A 44 9.845 -14.534 -0.260 1.00 0.38 N ATOM 691 CA GLU A 44 10.816 -14.608 0.824 1.00 0.42 C ATOM 692 C GLU A 44 10.922 -13.258 1.513 1.00 0.37 C ATOM 693 O GLU A 44 10.799 -13.152 2.738 1.00 0.43 O ATOM 694 CB GLU A 44 12.180 -15.014 0.280 1.00 0.52 C ATOM 695 CG GLU A 44 13.124 -15.564 1.336 1.00 0.60 C ATOM 696 CD GLU A 44 14.542 -15.048 1.187 1.00 1.56 C ATOM 697 OE1 GLU A 44 14.918 -14.661 0.058 1.00 2.34 O ATOM 698 OE2 GLU A 44 15.287 -15.024 2.191 1.00 2.19 O ATOM 0 H GLU A 44 10.243 -14.651 -1.192 1.00 0.38 H new ATOM 0 HA GLU A 44 10.484 -15.356 1.544 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.041 -15.766 -0.497 1.00 0.52 H new ATOM 0 HB3 GLU A 44 12.644 -14.149 -0.193 1.00 0.52 H new ATOM 0 HG2 GLU A 44 12.749 -15.300 2.325 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.131 -16.652 1.278 1.00 0.60 H new ATOM 705 N LYS A 45 11.058 -12.220 0.702 1.00 0.32 N ATOM 706 CA LYS A 45 11.096 -10.857 1.203 1.00 0.35 C ATOM 707 C LYS A 45 9.776 -10.506 1.874 1.00 0.30 C ATOM 708 O LYS A 45 9.746 -9.776 2.858 1.00 0.35 O ATOM 709 CB LYS A 45 11.389 -9.876 0.065 1.00 0.39 C ATOM 710 CG LYS A 45 12.723 -10.121 -0.618 1.00 0.56 C ATOM 711 CD LYS A 45 13.688 -8.970 -0.391 1.00 0.68 C ATOM 712 CE LYS A 45 15.005 -9.444 0.202 1.00 1.04 C ATOM 713 NZ LYS A 45 15.950 -9.916 -0.845 1.00 1.09 N ATOM 0 H LYS A 45 11.144 -12.298 -0.311 1.00 0.32 H new ATOM 0 HA LYS A 45 11.895 -10.781 1.940 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.593 -9.943 -0.676 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.373 -8.860 0.459 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.162 -11.044 -0.240 1.00 0.56 H new ATOM 0 HG3 LYS A 45 12.565 -10.258 -1.688 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.877 -8.463 -1.337 1.00 0.68 H new ATOM 0 HD3 LYS A 45 13.231 -8.239 0.277 1.00 0.68 H new ATOM 0 HE2 LYS A 45 15.463 -8.630 0.764 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.814 -10.251 0.909 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.893 -9.515 -0.667 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 16.005 -10.954 -0.821 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 15.614 -9.609 -1.780 1.00 1.09 H new ATOM 727 N HIS A 46 8.693 -11.086 1.369 1.00 0.28 N ATOM 728 CA HIS A 46 7.363 -10.856 1.931 1.00 0.31 C ATOM 729 C HIS A 46 7.225 -11.540 3.285 1.00 0.32 C ATOM 730 O HIS A 46 6.548 -11.031 4.180 1.00 0.34 O ATOM 731 CB HIS A 46 6.270 -11.355 0.984 1.00 0.38 C ATOM 732 CG HIS A 46 4.972 -10.632 1.158 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.881 -11.174 1.805 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.595 -9.391 0.770 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.894 -10.302 1.805 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.302 -9.215 1.185 1.00 0.58 N ATOM 0 H HIS A 46 8.708 -11.720 0.570 1.00 0.28 H new ATOM 0 HA HIS A 46 7.242 -9.781 2.063 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.609 -11.240 -0.046 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.111 -12.421 1.150 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.200 -8.675 0.234 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.917 -10.453 2.239 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.743 -8.374 1.037 1.00 0.58 H new ATOM 745 N THR A 47 7.897 -12.675 3.439 1.00 0.33 N ATOM 746 CA THR A 47 7.879 -13.415 4.692 1.00 0.40 C ATOM 747 C THR A 47 8.535 -12.596 5.796 1.00 0.39 C ATOM 748 O THR A 47 7.946 -12.383 6.862 1.00 0.43 O ATOM 749 CB THR A 47 8.598 -14.773 4.556 1.00 0.47 C ATOM 750 OG1 THR A 47 8.109 -15.479 3.409 1.00 0.72 O ATOM 751 CG2 THR A 47 8.389 -15.620 5.799 1.00 0.60 C ATOM 0 H THR A 47 8.463 -13.103 2.707 1.00 0.33 H new ATOM 0 HA THR A 47 6.837 -13.605 4.949 1.00 0.40 H new ATOM 0 HB THR A 47 9.664 -14.581 4.436 1.00 0.47 H new ATOM 0 HG1 THR A 47 8.449 -15.055 2.594 1.00 0.72 H new ATOM 0 HG21 THR A 47 8.905 -16.573 5.681 1.00 0.60 H new ATOM 0 HG22 THR A 47 8.789 -15.096 6.668 1.00 0.60 H new ATOM 0 HG23 THR A 47 7.323 -15.799 5.942 1.00 0.60 H new ATOM 759 N ARG A 48 9.717 -12.069 5.499 1.00 0.35 N ATOM 760 CA ARG A 48 10.419 -11.201 6.432 1.00 0.38 C ATOM 761 C ARG A 48 9.660 -9.895 6.605 1.00 0.34 C ATOM 762 O ARG A 48 9.567 -9.369 7.711 1.00 0.38 O ATOM 763 CB ARG A 48 11.836 -10.906 5.942 1.00 0.42 C ATOM 764 CG ARG A 48 12.657 -10.082 6.925 1.00 0.73 C ATOM 765 CD ARG A 48 13.906 -10.822 7.378 1.00 0.80 C ATOM 766 NE ARG A 48 13.765 -12.272 7.267 1.00 0.90 N ATOM 767 CZ ARG A 48 13.404 -13.065 8.273 1.00 1.43 C ATOM 768 NH1 ARG A 48 13.186 -12.553 9.478 1.00 1.83 N ATOM 769 NH2 ARG A 48 13.268 -14.366 8.074 1.00 1.87 N ATOM 0 H ARG A 48 10.208 -12.229 4.619 1.00 0.35 H new ATOM 0 HA ARG A 48 10.481 -11.716 7.391 1.00 0.38 H new ATOM 0 HB2 ARG A 48 12.350 -11.848 5.751 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.781 -10.375 4.992 1.00 0.42 H new ATOM 0 HG2 ARG A 48 12.942 -9.139 6.459 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.045 -9.836 7.793 1.00 0.73 H new ATOM 0 HD2 ARG A 48 14.756 -10.495 6.779 1.00 0.80 H new ATOM 0 HD3 ARG A 48 14.126 -10.559 8.413 1.00 0.80 H new ATOM 0 HE ARG A 48 13.955 -12.703 6.362 1.00 0.90 H new ATOM 0 HH11 ARG A 48 13.295 -11.551 9.634 1.00 1.83 H new ATOM 0 HH12 ARG A 48 12.909 -13.162 10.248 1.00 1.83 H new ATOM 0 HH21 ARG A 48 13.440 -14.761 7.150 1.00 1.87 H new ATOM 0 HH22 ARG A 48 12.991 -14.974 8.845 1.00 1.87 H new ATOM 783 N PHE A 49 9.093 -9.406 5.509 1.00 0.32 N ATOM 784 CA PHE A 49 8.308 -8.175 5.513 1.00 0.32 C ATOM 785 C PHE A 49 7.231 -8.218 6.584 1.00 0.36 C ATOM 786 O PHE A 49 7.190 -7.365 7.461 1.00 0.39 O ATOM 787 CB PHE A 49 7.649 -7.975 4.149 1.00 0.33 C ATOM 788 CG PHE A 49 8.151 -6.788 3.383 1.00 0.39 C ATOM 789 CD1 PHE A 49 9.464 -6.365 3.503 1.00 0.85 C ATOM 790 CD2 PHE A 49 7.304 -6.099 2.530 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.920 -5.278 2.787 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.755 -5.010 1.814 1.00 0.92 C ATOM 793 CZ PHE A 49 9.065 -4.600 1.943 1.00 0.67 C ATOM 0 H PHE A 49 9.163 -9.850 4.593 1.00 0.32 H new ATOM 0 HA PHE A 49 8.983 -7.346 5.726 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.806 -8.871 3.549 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.573 -7.871 4.291 1.00 0.33 H new ATOM 0 HD1 PHE A 49 10.137 -6.891 4.163 1.00 0.85 H new ATOM 0 HD2 PHE A 49 6.278 -6.419 2.424 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.947 -4.958 2.887 1.00 0.94 H new ATOM 0 HE2 PHE A 49 7.084 -4.480 1.154 1.00 0.92 H new ATOM 0 HZ PHE A 49 9.422 -3.748 1.383 1.00 0.67 H new ATOM 803 N LYS A 50 6.357 -9.210 6.490 1.00 0.39 N ATOM 804 CA LYS A 50 5.241 -9.345 7.419 1.00 0.45 C ATOM 805 C LYS A 50 5.724 -9.576 8.850 1.00 0.42 C ATOM 806 O LYS A 50 5.183 -9.004 9.795 1.00 0.42 O ATOM 807 CB LYS A 50 4.328 -10.493 6.980 1.00 0.54 C ATOM 808 CG LYS A 50 3.208 -10.049 6.056 1.00 0.93 C ATOM 809 CD LYS A 50 1.987 -10.941 6.185 1.00 1.47 C ATOM 810 CE LYS A 50 1.208 -10.644 7.454 1.00 1.37 C ATOM 811 NZ LYS A 50 0.272 -9.502 7.280 1.00 2.17 N ATOM 0 H LYS A 50 6.399 -9.937 5.776 1.00 0.39 H new ATOM 0 HA LYS A 50 4.680 -8.410 7.404 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.927 -11.252 6.476 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.896 -10.963 7.864 1.00 0.54 H new ATOM 0 HG2 LYS A 50 2.933 -9.020 6.286 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.561 -10.062 5.025 1.00 0.93 H new ATOM 0 HD2 LYS A 50 1.340 -10.800 5.319 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.298 -11.986 6.184 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.647 -11.530 7.751 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.904 -10.422 8.263 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 -0.239 -9.333 8.170 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 0.809 -8.649 7.022 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 -0.409 -9.723 6.526 1.00 2.17 H new ATOM 825 N ALA A 51 6.749 -10.406 9.000 1.00 0.43 N ATOM 826 CA ALA A 51 7.297 -10.716 10.319 1.00 0.46 C ATOM 827 C ALA A 51 7.895 -9.473 10.974 1.00 0.44 C ATOM 828 O ALA A 51 7.600 -9.159 12.131 1.00 0.47 O ATOM 829 CB ALA A 51 8.347 -11.815 10.209 1.00 0.53 C ATOM 0 H ALA A 51 7.219 -10.877 8.227 1.00 0.43 H new ATOM 0 HA ALA A 51 6.481 -11.069 10.950 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.747 -12.036 11.198 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.891 -12.713 9.793 1.00 0.53 H new ATOM 0 HB3 ALA A 51 9.155 -11.483 9.557 1.00 0.53 H new ATOM 835 N ALA A 52 8.734 -8.773 10.226 1.00 0.46 N ATOM 836 CA ALA A 52 9.405 -7.583 10.724 1.00 0.53 C ATOM 837 C ALA A 52 8.421 -6.434 10.924 1.00 0.53 C ATOM 838 O ALA A 52 8.517 -5.688 11.901 1.00 0.65 O ATOM 839 CB ALA A 52 10.511 -7.176 9.772 1.00 0.58 C ATOM 0 H ALA A 52 8.968 -9.012 9.262 1.00 0.46 H new ATOM 0 HA ALA A 52 9.840 -7.818 11.695 1.00 0.53 H new ATOM 0 HB1 ALA A 52 11.009 -6.284 10.152 1.00 0.58 H new ATOM 0 HB2 ALA A 52 11.235 -7.987 9.687 1.00 0.58 H new ATOM 0 HB3 ALA A 52 10.087 -6.964 8.791 1.00 0.58 H new ATOM 845 N CYS A 53 7.476 -6.298 9.999 1.00 0.48 N ATOM 846 CA CYS A 53 6.480 -5.235 10.068 1.00 0.56 C ATOM 847 C CYS A 53 5.588 -5.415 11.292 1.00 0.49 C ATOM 848 O CYS A 53 5.238 -4.443 11.970 1.00 0.53 O ATOM 849 CB CYS A 53 5.648 -5.198 8.776 1.00 0.68 C ATOM 850 SG CYS A 53 3.920 -5.703 8.950 1.00 1.29 S ATOM 0 H CYS A 53 7.379 -6.913 9.191 1.00 0.48 H new ATOM 0 HA CYS A 53 6.995 -4.279 10.167 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.674 -4.184 8.376 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.125 -5.844 8.038 1.00 0.68 H new ATOM 0 HG CYS A 53 3.231 -4.725 9.459 1.00 1.29 H new ATOM 856 N ALA A 54 5.289 -6.669 11.616 1.00 0.45 N ATOM 857 CA ALA A 54 4.493 -6.984 12.794 1.00 0.52 C ATOM 858 C ALA A 54 5.280 -6.693 14.063 1.00 0.53 C ATOM 859 O ALA A 54 4.736 -6.167 15.035 1.00 0.63 O ATOM 860 CB ALA A 54 4.055 -8.439 12.761 1.00 0.63 C ATOM 0 H ALA A 54 5.587 -7.483 11.078 1.00 0.45 H new ATOM 0 HA ALA A 54 3.604 -6.354 12.790 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.461 -8.660 13.648 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.456 -8.618 11.868 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.934 -9.083 12.743 1.00 0.63 H new ATOM 866 N ARG A 55 6.576 -6.994 14.033 1.00 0.53 N ATOM 867 CA ARG A 55 7.453 -6.741 15.172 1.00 0.66 C ATOM 868 C ARG A 55 7.586 -5.242 15.419 1.00 0.65 C ATOM 869 O ARG A 55 7.499 -4.783 16.558 1.00 0.75 O ATOM 870 CB ARG A 55 8.836 -7.360 14.936 1.00 0.77 C ATOM 871 CG ARG A 55 9.798 -7.175 16.102 1.00 1.38 C ATOM 872 CD ARG A 55 11.135 -6.622 15.636 1.00 1.87 C ATOM 873 NE ARG A 55 12.161 -6.706 16.673 1.00 2.37 N ATOM 874 CZ ARG A 55 13.472 -6.616 16.441 1.00 2.79 C ATOM 875 NH1 ARG A 55 13.923 -6.485 15.201 1.00 2.91 N ATOM 876 NH2 ARG A 55 14.324 -6.680 17.455 1.00 3.58 N ATOM 0 H ARG A 55 7.043 -7.415 13.229 1.00 0.53 H new ATOM 0 HA ARG A 55 7.010 -7.204 16.053 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.718 -8.426 14.740 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.274 -6.917 14.041 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.358 -6.498 16.835 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.953 -8.131 16.603 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.466 -7.172 14.755 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.010 -5.582 15.334 1.00 1.87 H new ATOM 0 HE ARG A 55 11.855 -6.842 17.637 1.00 2.37 H new ATOM 0 HH11 ARG A 55 13.267 -6.453 14.421 1.00 2.91 H new ATOM 0 HH12 ARG A 55 14.926 -6.416 15.028 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.976 -6.798 18.407 1.00 3.58 H new ATOM 0 HH22 ARG A 55 15.327 -6.612 17.283 1.00 3.58 H new ATOM 890 N LYS A 56 7.777 -4.486 14.343 1.00 0.59 N ATOM 891 CA LYS A 56 7.901 -3.037 14.437 1.00 0.64 C ATOM 892 C LYS A 56 6.572 -2.411 14.854 1.00 0.54 C ATOM 893 O LYS A 56 6.540 -1.461 15.638 1.00 0.67 O ATOM 894 CB LYS A 56 8.366 -2.452 13.102 1.00 0.71 C ATOM 895 CG LYS A 56 9.863 -2.602 12.861 1.00 1.15 C ATOM 896 CD LYS A 56 10.552 -1.249 12.740 1.00 1.46 C ATOM 897 CE LYS A 56 11.848 -1.345 11.948 1.00 2.01 C ATOM 898 NZ LYS A 56 13.047 -1.285 12.828 1.00 2.32 N ATOM 0 H LYS A 56 7.849 -4.854 13.394 1.00 0.59 H new ATOM 0 HA LYS A 56 8.647 -2.806 15.197 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.825 -2.941 12.292 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.105 -1.394 13.067 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.309 -3.166 13.681 1.00 1.15 H new ATOM 0 HG3 LYS A 56 10.029 -3.178 11.951 1.00 1.15 H new ATOM 0 HD2 LYS A 56 9.880 -0.541 12.254 1.00 1.46 H new ATOM 0 HD3 LYS A 56 10.762 -0.858 13.735 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.859 -2.277 11.384 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.890 -0.533 11.222 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.907 -1.354 12.248 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 13.051 -0.384 13.348 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 13.021 -2.075 13.504 1.00 2.32 H new ATOM 912 N GLY A 57 5.479 -2.983 14.368 1.00 0.48 N ATOM 913 CA GLY A 57 4.163 -2.498 14.728 1.00 0.47 C ATOM 914 C GLY A 57 3.620 -1.520 13.712 1.00 0.51 C ATOM 915 O GLY A 57 3.116 -0.452 14.068 1.00 0.58 O ATOM 0 H GLY A 57 5.481 -3.777 13.728 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.479 -3.342 14.820 1.00 0.47 H new ATOM 0 HA3 GLY A 57 4.209 -2.017 15.705 1.00 0.47 H new ATOM 919 N THR A 58 3.735 -1.874 12.443 1.00 0.59 N ATOM 920 CA THR A 58 3.264 -1.019 11.372 1.00 0.73 C ATOM 921 C THR A 58 2.815 -1.858 10.179 1.00 0.56 C ATOM 922 O THR A 58 3.120 -3.050 10.102 1.00 0.53 O ATOM 923 CB THR A 58 4.357 -0.012 10.950 1.00 1.06 C ATOM 924 OG1 THR A 58 3.763 1.093 10.258 1.00 2.01 O ATOM 925 CG2 THR A 58 5.415 -0.672 10.072 1.00 0.61 C ATOM 0 H THR A 58 4.152 -2.751 12.131 1.00 0.59 H new ATOM 0 HA THR A 58 2.408 -0.453 11.738 1.00 0.73 H new ATOM 0 HB THR A 58 4.849 0.348 11.853 1.00 1.06 H new ATOM 0 HG1 THR A 58 4.468 1.669 9.896 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.168 0.065 9.794 1.00 0.61 H new ATOM 0 HG22 THR A 58 5.889 -1.485 10.622 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.945 -1.068 9.172 1.00 0.61 H new ATOM 933 N SER A 59 2.046 -1.250 9.287 1.00 0.55 N ATOM 934 CA SER A 59 1.525 -1.939 8.118 1.00 0.50 C ATOM 935 C SER A 59 2.636 -2.195 7.105 1.00 0.44 C ATOM 936 O SER A 59 3.651 -1.494 7.094 1.00 0.43 O ATOM 937 CB SER A 59 0.425 -1.094 7.486 1.00 0.61 C ATOM 938 OG SER A 59 0.186 0.076 8.257 1.00 0.72 O ATOM 0 H SER A 59 1.768 -0.271 9.353 1.00 0.55 H new ATOM 0 HA SER A 59 1.116 -2.902 8.425 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.711 -0.815 6.472 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.492 -1.679 7.410 1.00 0.61 H new ATOM 0 HG SER A 59 0.851 0.759 8.029 1.00 0.72 H new ATOM 944 N ILE A 60 2.435 -3.182 6.243 1.00 0.46 N ATOM 945 CA ILE A 60 3.427 -3.517 5.232 1.00 0.50 C ATOM 946 C ILE A 60 3.596 -2.369 4.240 1.00 0.47 C ATOM 947 O ILE A 60 4.693 -2.125 3.745 1.00 0.50 O ATOM 948 CB ILE A 60 3.070 -4.831 4.486 1.00 0.61 C ATOM 949 CG1 ILE A 60 4.314 -5.710 4.350 1.00 0.99 C ATOM 950 CG2 ILE A 60 2.455 -4.559 3.120 1.00 1.01 C ATOM 951 CD1 ILE A 60 4.001 -7.165 4.088 1.00 0.96 C ATOM 0 H ILE A 60 1.597 -3.763 6.224 1.00 0.46 H new ATOM 0 HA ILE A 60 4.374 -3.678 5.747 1.00 0.50 H new ATOM 0 HB ILE A 60 2.322 -5.358 5.078 1.00 0.61 H new ATOM 0 HG12 ILE A 60 4.932 -5.328 3.537 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.905 -5.633 5.263 1.00 0.99 H new ATOM 0 HG21 ILE A 60 2.220 -5.505 2.632 1.00 1.01 H new ATOM 0 HG22 ILE A 60 1.542 -3.977 3.242 1.00 1.01 H new ATOM 0 HG23 ILE A 60 3.162 -4.000 2.507 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.931 -7.728 4.003 1.00 0.96 H new ATOM 0 HD12 ILE A 60 3.409 -7.564 4.912 1.00 0.96 H new ATOM 0 HD13 ILE A 60 3.437 -7.254 3.160 1.00 0.96 H new ATOM 963 N THR A 61 2.526 -1.612 4.032 1.00 0.45 N ATOM 964 CA THR A 61 2.563 -0.463 3.158 1.00 0.45 C ATOM 965 C THR A 61 3.510 0.601 3.711 1.00 0.42 C ATOM 966 O THR A 61 4.339 1.158 2.986 1.00 0.41 O ATOM 967 CB THR A 61 1.154 0.122 3.015 1.00 0.51 C ATOM 968 OG1 THR A 61 0.239 -0.619 3.840 1.00 0.68 O ATOM 969 CG2 THR A 61 0.694 0.087 1.565 1.00 0.77 C ATOM 0 H THR A 61 1.618 -1.781 4.464 1.00 0.45 H new ATOM 0 HA THR A 61 2.927 -0.779 2.180 1.00 0.45 H new ATOM 0 HB THR A 61 1.176 1.163 3.338 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.661 -0.243 3.749 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.309 0.508 1.491 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.379 0.672 0.952 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.682 -0.944 1.212 1.00 0.77 H new ATOM 977 N ASP A 62 3.446 0.799 5.025 1.00 0.42 N ATOM 978 CA ASP A 62 4.334 1.733 5.706 1.00 0.42 C ATOM 979 C ASP A 62 5.756 1.198 5.717 1.00 0.36 C ATOM 980 O ASP A 62 6.723 1.958 5.651 1.00 0.35 O ATOM 981 CB ASP A 62 3.866 1.978 7.139 1.00 0.47 C ATOM 982 CG ASP A 62 4.721 3.005 7.853 1.00 0.61 C ATOM 983 OD1 ASP A 62 4.790 4.160 7.382 1.00 0.92 O ATOM 984 OD2 ASP A 62 5.333 2.663 8.889 1.00 1.06 O ATOM 0 H ASP A 62 2.786 0.323 5.640 1.00 0.42 H new ATOM 0 HA ASP A 62 4.311 2.678 5.163 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.829 2.315 7.128 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.890 1.039 7.693 1.00 0.47 H new ATOM 989 N VAL A 63 5.875 -0.121 5.755 1.00 0.34 N ATOM 990 CA VAL A 63 7.173 -0.770 5.720 1.00 0.32 C ATOM 991 C VAL A 63 7.871 -0.479 4.394 1.00 0.31 C ATOM 992 O VAL A 63 9.030 -0.077 4.382 1.00 0.35 O ATOM 993 CB VAL A 63 7.051 -2.296 5.954 1.00 0.36 C ATOM 994 CG1 VAL A 63 8.009 -3.089 5.074 1.00 0.68 C ATOM 995 CG2 VAL A 63 7.294 -2.612 7.418 1.00 0.66 C ATOM 0 H VAL A 63 5.084 -0.763 5.810 1.00 0.34 H new ATOM 0 HA VAL A 63 7.776 -0.363 6.531 1.00 0.32 H new ATOM 0 HB VAL A 63 6.040 -2.595 5.679 1.00 0.36 H new ATOM 0 HG11 VAL A 63 7.888 -4.154 5.272 1.00 0.68 H new ATOM 0 HG12 VAL A 63 7.790 -2.888 4.025 1.00 0.68 H new ATOM 0 HG13 VAL A 63 9.035 -2.793 5.294 1.00 0.68 H new ATOM 0 HG21 VAL A 63 7.207 -3.687 7.578 1.00 0.66 H new ATOM 0 HG22 VAL A 63 8.294 -2.283 7.700 1.00 0.66 H new ATOM 0 HG23 VAL A 63 6.556 -2.094 8.030 1.00 0.66 H new ATOM 1005 N VAL A 64 7.125 -0.575 3.293 1.00 0.29 N ATOM 1006 CA VAL A 64 7.670 -0.249 1.979 1.00 0.29 C ATOM 1007 C VAL A 64 8.089 1.214 1.924 1.00 0.31 C ATOM 1008 O VAL A 64 9.156 1.546 1.405 1.00 0.34 O ATOM 1009 CB VAL A 64 6.671 -0.528 0.837 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.367 -0.442 -0.513 1.00 0.33 C ATOM 1011 CG2 VAL A 64 6.013 -1.888 1.008 1.00 0.38 C ATOM 0 H VAL A 64 6.150 -0.874 3.286 1.00 0.29 H new ATOM 0 HA VAL A 64 8.536 -0.895 1.835 1.00 0.29 H new ATOM 0 HB VAL A 64 5.892 0.233 0.877 1.00 0.31 H new ATOM 0 HG11 VAL A 64 6.647 -0.642 -1.307 1.00 0.33 H new ATOM 0 HG12 VAL A 64 7.784 0.556 -0.644 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.169 -1.179 -0.557 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.314 -2.059 0.190 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.777 -2.665 1.001 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.476 -1.916 1.956 1.00 0.38 H new ATOM 1021 N ASN A 65 7.300 2.072 2.549 1.00 0.32 N ATOM 1022 CA ASN A 65 7.634 3.486 2.635 1.00 0.35 C ATOM 1023 C ASN A 65 8.901 3.691 3.460 1.00 0.38 C ATOM 1024 O ASN A 65 9.676 4.609 3.205 1.00 0.40 O ATOM 1025 CB ASN A 65 6.474 4.272 3.249 1.00 0.40 C ATOM 1026 CG ASN A 65 5.987 5.380 2.337 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.782 6.099 1.732 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.677 5.530 2.237 1.00 0.48 N ATOM 0 H ASN A 65 6.424 1.816 3.004 1.00 0.32 H new ATOM 0 HA ASN A 65 7.814 3.856 1.626 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.650 3.592 3.464 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.790 4.700 4.200 1.00 0.40 H new ATOM 0 HD21 ASN A 65 4.292 6.263 1.641 1.00 0.48 H new ATOM 0 HD22 ASN A 65 4.052 4.913 2.755 1.00 0.48 H new ATOM 1035 N GLN A 66 9.116 2.806 4.430 1.00 0.39 N ATOM 1036 CA GLN A 66 10.283 2.873 5.300 1.00 0.42 C ATOM 1037 C GLN A 66 11.566 2.538 4.545 1.00 0.40 C ATOM 1038 O GLN A 66 12.585 3.206 4.720 1.00 0.44 O ATOM 1039 CB GLN A 66 10.116 1.921 6.482 1.00 0.44 C ATOM 1040 CG GLN A 66 11.114 2.160 7.601 1.00 0.87 C ATOM 1041 CD GLN A 66 10.756 1.416 8.870 1.00 1.45 C ATOM 1042 OE1 GLN A 66 11.489 0.528 9.314 1.00 2.20 O ATOM 1043 NE2 GLN A 66 9.624 1.766 9.456 1.00 1.61 N ATOM 0 H GLN A 66 8.489 2.027 4.633 1.00 0.39 H new ATOM 0 HA GLN A 66 10.363 3.897 5.666 1.00 0.42 H new ATOM 0 HB2 GLN A 66 9.106 2.022 6.879 1.00 0.44 H new ATOM 0 HB3 GLN A 66 10.218 0.895 6.129 1.00 0.44 H new ATOM 0 HG2 GLN A 66 12.106 1.851 7.271 1.00 0.87 H new ATOM 0 HG3 GLN A 66 11.167 3.228 7.813 1.00 0.87 H new ATOM 0 HE21 GLN A 66 9.049 2.506 9.054 1.00 1.61 H new ATOM 0 HE22 GLN A 66 9.326 1.296 10.311 1.00 1.61 H new ATOM 1052 N LEU A 67 11.524 1.498 3.714 1.00 0.36 N ATOM 1053 CA LEU A 67 12.704 1.112 2.944 1.00 0.35 C ATOM 1054 C LEU A 67 13.053 2.202 1.946 1.00 0.31 C ATOM 1055 O LEU A 67 14.218 2.566 1.801 1.00 0.32 O ATOM 1056 CB LEU A 67 12.512 -0.216 2.203 1.00 0.38 C ATOM 1057 CG LEU A 67 11.112 -0.814 2.245 1.00 0.63 C ATOM 1058 CD1 LEU A 67 10.678 -1.238 0.855 1.00 1.04 C ATOM 1059 CD2 LEU A 67 11.070 -1.991 3.198 1.00 1.01 C ATOM 0 H LEU A 67 10.701 0.916 3.558 1.00 0.36 H new ATOM 0 HA LEU A 67 13.519 0.978 3.655 1.00 0.35 H new ATOM 0 HB2 LEU A 67 12.791 -0.069 1.159 1.00 0.38 H new ATOM 0 HB3 LEU A 67 13.208 -0.944 2.619 1.00 0.38 H new ATOM 0 HG LEU A 67 10.419 -0.054 2.606 1.00 0.63 H new ATOM 0 HD11 LEU A 67 9.676 -1.664 0.901 1.00 1.04 H new ATOM 0 HD12 LEU A 67 10.674 -0.371 0.195 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.372 -1.985 0.469 1.00 1.04 H new ATOM 0 HD21 LEU A 67 10.063 -2.408 3.217 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.772 -2.755 2.864 1.00 1.01 H new ATOM 0 HD23 LEU A 67 11.344 -1.658 4.199 1.00 1.01 H new ATOM 1071 N VAL A 68 12.031 2.768 1.312 1.00 0.29 N ATOM 1072 CA VAL A 68 12.226 3.867 0.376 1.00 0.28 C ATOM 1073 C VAL A 68 12.769 5.089 1.108 1.00 0.30 C ATOM 1074 O VAL A 68 13.706 5.731 0.646 1.00 0.32 O ATOM 1075 CB VAL A 68 10.912 4.236 -0.347 1.00 0.28 C ATOM 1076 CG1 VAL A 68 11.094 5.465 -1.227 1.00 0.81 C ATOM 1077 CG2 VAL A 68 10.428 3.063 -1.176 1.00 0.69 C ATOM 0 H VAL A 68 11.059 2.483 1.430 1.00 0.29 H new ATOM 0 HA VAL A 68 12.946 3.539 -0.374 1.00 0.28 H new ATOM 0 HB VAL A 68 10.163 4.473 0.409 1.00 0.28 H new ATOM 0 HG11 VAL A 68 10.152 5.700 -1.723 1.00 0.81 H new ATOM 0 HG12 VAL A 68 11.401 6.311 -0.612 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.859 5.265 -1.977 1.00 0.81 H new ATOM 0 HG21 VAL A 68 9.501 3.333 -1.682 1.00 0.69 H new ATOM 0 HG22 VAL A 68 11.184 2.805 -1.917 1.00 0.69 H new ATOM 0 HG23 VAL A 68 10.250 2.207 -0.526 1.00 0.69 H new ATOM 1087 N ASP A 69 12.232 5.334 2.298 1.00 0.33 N ATOM 1088 CA ASP A 69 12.706 6.411 3.161 1.00 0.39 C ATOM 1089 C ASP A 69 14.193 6.244 3.442 1.00 0.36 C ATOM 1090 O ASP A 69 14.998 7.141 3.187 1.00 0.37 O ATOM 1091 CB ASP A 69 11.937 6.396 4.484 1.00 0.50 C ATOM 1092 CG ASP A 69 11.202 7.691 4.753 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.821 8.633 5.289 1.00 1.33 O ATOM 1094 OD2 ASP A 69 9.999 7.778 4.433 1.00 1.11 O ATOM 0 H ASP A 69 11.460 4.795 2.691 1.00 0.33 H new ATOM 0 HA ASP A 69 12.540 7.361 2.654 1.00 0.39 H new ATOM 0 HB2 ASP A 69 11.222 5.574 4.473 1.00 0.50 H new ATOM 0 HB3 ASP A 69 12.633 6.203 5.301 1.00 0.50 H new ATOM 1099 N ASN A 70 14.539 5.057 3.924 1.00 0.35 N ATOM 1100 CA ASN A 70 15.919 4.701 4.240 1.00 0.37 C ATOM 1101 C ASN A 70 16.815 4.824 3.015 1.00 0.33 C ATOM 1102 O ASN A 70 17.832 5.514 3.037 1.00 0.40 O ATOM 1103 CB ASN A 70 15.981 3.257 4.744 1.00 0.44 C ATOM 1104 CG ASN A 70 15.865 3.141 6.249 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.847 3.315 6.971 1.00 0.95 O ATOM 1106 ND2 ASN A 70 14.667 2.835 6.728 1.00 1.69 N ATOM 0 H ASN A 70 13.869 4.310 4.108 1.00 0.35 H new ATOM 0 HA ASN A 70 16.271 5.389 5.009 1.00 0.37 H new ATOM 0 HB2 ASN A 70 15.179 2.683 4.280 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.921 2.808 4.424 1.00 0.44 H new ATOM 0 HD21 ASN A 70 14.530 2.735 7.734 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.882 2.700 6.091 1.00 1.69 H new ATOM 1113 N TRP A 71 16.482 4.064 1.989 1.00 0.30 N ATOM 1114 CA TRP A 71 17.286 3.979 0.780 1.00 0.36 C ATOM 1115 C TRP A 71 17.477 5.339 0.123 1.00 0.35 C ATOM 1116 O TRP A 71 18.597 5.723 -0.209 1.00 0.40 O ATOM 1117 CB TRP A 71 16.611 3.027 -0.205 1.00 0.42 C ATOM 1118 CG TRP A 71 17.535 2.455 -1.230 1.00 0.52 C ATOM 1119 CD1 TRP A 71 18.244 1.294 -1.136 1.00 0.63 C ATOM 1120 CD2 TRP A 71 17.834 3.006 -2.515 1.00 0.58 C ATOM 1121 NE1 TRP A 71 18.983 1.102 -2.275 1.00 0.72 N ATOM 1122 CE2 TRP A 71 18.747 2.137 -3.139 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.423 4.155 -3.197 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.257 2.381 -4.412 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.929 4.391 -4.459 1.00 0.73 C ATOM 1126 CH2 TRP A 71 18.835 3.511 -5.055 1.00 0.77 C ATOM 0 H TRP A 71 15.643 3.485 1.969 1.00 0.30 H new ATOM 0 HA TRP A 71 18.272 3.607 1.058 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.153 2.210 0.352 1.00 0.42 H new ATOM 0 HB3 TRP A 71 15.806 3.558 -0.713 1.00 0.42 H new ATOM 0 HD1 TRP A 71 18.226 0.624 -0.289 1.00 0.63 H new ATOM 0 HE1 TRP A 71 19.608 0.315 -2.450 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.724 4.844 -2.746 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 19.959 1.703 -4.874 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.618 5.274 -4.997 1.00 0.73 H new ATOM 0 HH2 TRP A 71 19.210 3.728 -6.044 1.00 0.77 H new ATOM 1137 N LEU A 72 16.372 5.999 -0.173 1.00 0.36 N ATOM 1138 CA LEU A 72 16.402 7.219 -0.957 1.00 0.42 C ATOM 1139 C LEU A 72 17.149 8.346 -0.257 1.00 0.49 C ATOM 1140 O LEU A 72 17.889 9.086 -0.897 1.00 0.61 O ATOM 1141 CB LEU A 72 14.980 7.673 -1.281 1.00 0.45 C ATOM 1142 CG LEU A 72 14.634 7.704 -2.767 1.00 0.42 C ATOM 1143 CD1 LEU A 72 13.164 8.039 -2.962 1.00 1.23 C ATOM 1144 CD2 LEU A 72 15.511 8.714 -3.486 1.00 1.38 C ATOM 0 H LEU A 72 15.439 5.708 0.120 1.00 0.36 H new ATOM 0 HA LEU A 72 16.940 6.990 -1.877 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.279 7.010 -0.774 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.831 8.671 -0.868 1.00 0.45 H new ATOM 0 HG LEU A 72 14.820 6.717 -3.191 1.00 0.42 H new ATOM 0 HD11 LEU A 72 12.933 8.057 -4.027 1.00 1.23 H new ATOM 0 HD12 LEU A 72 12.550 7.284 -2.471 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.953 9.016 -2.528 1.00 1.23 H new ATOM 0 HD21 LEU A 72 15.256 8.728 -4.546 1.00 1.38 H new ATOM 0 HD22 LEU A 72 15.349 9.704 -3.061 1.00 1.38 H new ATOM 0 HD23 LEU A 72 16.558 8.435 -3.369 1.00 1.38 H new ATOM 1156 N LYS A 73 16.833 8.576 1.010 1.00 0.51 N ATOM 1157 CA LYS A 73 17.342 9.758 1.691 1.00 0.64 C ATOM 1158 C LYS A 73 18.694 9.522 2.360 1.00 0.63 C ATOM 1159 O LYS A 73 19.547 10.410 2.362 1.00 0.74 O ATOM 1160 CB LYS A 73 16.319 10.250 2.713 1.00 0.82 C ATOM 1161 CG LYS A 73 14.941 10.499 2.113 1.00 0.97 C ATOM 1162 CD LYS A 73 13.827 10.192 3.102 1.00 1.32 C ATOM 1163 CE LYS A 73 14.124 10.752 4.486 1.00 1.19 C ATOM 1164 NZ LYS A 73 14.271 9.674 5.501 1.00 1.42 N ATOM 0 H LYS A 73 16.238 7.973 1.578 1.00 0.51 H new ATOM 0 HA LYS A 73 17.501 10.523 0.931 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.232 9.515 3.513 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.683 11.172 3.166 1.00 0.82 H new ATOM 0 HG2 LYS A 73 14.867 11.539 1.794 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.816 9.883 1.223 1.00 0.97 H new ATOM 0 HD2 LYS A 73 12.890 10.611 2.735 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.689 9.113 3.169 1.00 1.32 H new ATOM 0 HE2 LYS A 73 15.039 11.344 4.450 1.00 1.19 H new ATOM 0 HE3 LYS A 73 13.321 11.425 4.785 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 14.746 10.054 6.345 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 13.331 9.315 5.765 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 14.839 8.898 5.104 1.00 1.42 H new ATOM 1178 N GLU A 74 18.872 8.361 2.979 1.00 0.60 N ATOM 1179 CA GLU A 74 20.099 8.092 3.726 1.00 0.77 C ATOM 1180 C GLU A 74 21.285 7.844 2.794 1.00 0.85 C ATOM 1181 O GLU A 74 22.422 8.162 3.132 1.00 1.00 O ATOM 1182 CB GLU A 74 19.904 6.897 4.661 1.00 0.93 C ATOM 1183 CG GLU A 74 20.369 7.141 6.091 1.00 1.00 C ATOM 1184 CD GLU A 74 20.404 8.610 6.462 1.00 1.39 C ATOM 1185 OE1 GLU A 74 19.321 9.200 6.668 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.512 9.178 6.553 1.00 1.30 O ATOM 0 H GLU A 74 18.194 7.599 2.981 1.00 0.60 H new ATOM 0 HA GLU A 74 20.322 8.978 4.321 1.00 0.77 H new ATOM 0 HB2 GLU A 74 18.847 6.629 4.675 1.00 0.93 H new ATOM 0 HB3 GLU A 74 20.444 6.041 4.256 1.00 0.93 H new ATOM 0 HG2 GLU A 74 19.706 6.615 6.777 1.00 1.00 H new ATOM 0 HG3 GLU A 74 21.364 6.716 6.221 1.00 1.00 H new ATOM 1193 N ASN A 75 21.023 7.263 1.631 1.00 0.95 N ATOM 1194 CA ASN A 75 22.096 6.955 0.686 1.00 1.20 C ATOM 1195 C ASN A 75 22.273 8.093 -0.324 1.00 1.20 C ATOM 1196 O ASN A 75 23.253 8.131 -1.072 1.00 1.32 O ATOM 1197 CB ASN A 75 21.825 5.598 -0.005 1.00 1.49 C ATOM 1198 CG ASN A 75 21.770 5.664 -1.525 1.00 1.22 C ATOM 1199 OD1 ASN A 75 22.797 5.742 -2.201 1.00 1.55 O ATOM 1200 ND2 ASN A 75 20.568 5.595 -2.073 1.00 0.88 N ATOM 0 H ASN A 75 20.089 6.997 1.319 1.00 0.95 H new ATOM 0 HA ASN A 75 23.036 6.865 1.231 1.00 1.20 H new ATOM 0 HB2 ASN A 75 22.604 4.894 0.288 1.00 1.49 H new ATOM 0 HB3 ASN A 75 20.880 5.199 0.363 1.00 1.49 H new ATOM 0 HD21 ASN A 75 20.469 5.605 -3.088 1.00 0.88 H new ATOM 0 HD22 ASN A 75 19.740 5.531 -1.480 1.00 0.88 H new ATOM 1207 N GLU A 76 21.375 9.075 -0.255 1.00 1.19 N ATOM 1208 CA GLU A 76 21.443 10.257 -1.110 1.00 1.36 C ATOM 1209 C GLU A 76 22.792 10.959 -0.989 1.00 1.69 C ATOM 1210 O GLU A 76 23.254 11.180 0.151 1.00 2.16 O ATOM 1211 CB GLU A 76 20.320 11.231 -0.748 1.00 1.69 C ATOM 1212 CG GLU A 76 19.479 11.661 -1.939 1.00 1.63 C ATOM 1213 CD GLU A 76 19.434 13.164 -2.104 1.00 2.07 C ATOM 1214 OE1 GLU A 76 18.900 13.846 -1.207 1.00 2.92 O ATOM 1215 OE2 GLU A 76 19.936 13.669 -3.132 1.00 2.17 O ATOM 1216 OXT GLU A 76 23.391 11.283 -2.038 1.00 2.16 O ATOM 0 H GLU A 76 20.585 9.073 0.391 1.00 1.19 H new ATOM 0 HA GLU A 76 21.324 9.928 -2.142 1.00 1.36 H new ATOM 0 HB2 GLU A 76 19.672 10.765 -0.006 1.00 1.69 H new ATOM 0 HB3 GLU A 76 20.754 12.116 -0.282 1.00 1.69 H new ATOM 0 HG2 GLU A 76 19.883 11.211 -2.846 1.00 1.63 H new ATOM 0 HG3 GLU A 76 18.464 11.281 -1.819 1.00 1.63 H new TER 1223 GLU A 76 ATOM 1224 N MET B 1 -23.880 -78.307 -56.331 1.00 49.72 N ATOM 1225 CA MET B 1 -23.625 -78.491 -57.778 1.00 50.01 C ATOM 1226 C MET B 1 -24.088 -77.278 -58.573 1.00 50.09 C ATOM 1227 O MET B 1 -23.327 -76.334 -58.779 1.00 50.14 O ATOM 1228 CB MET B 1 -24.355 -79.752 -58.251 1.00 49.83 C ATOM 1229 CG MET B 1 -23.840 -80.291 -59.578 1.00 50.16 C ATOM 1230 SD MET B 1 -24.679 -81.803 -60.095 1.00 50.63 S ATOM 1231 CE MET B 1 -23.783 -82.186 -61.602 1.00 50.90 C ATOM 0 H1 MET B 1 -23.555 -79.148 -55.812 1.00 49.72 H new ATOM 0 H2 MET B 1 -23.365 -77.470 -55.991 1.00 49.72 H new ATOM 0 H3 MET B 1 -24.899 -78.174 -56.172 1.00 49.72 H new ATOM 0 HA MET B 1 -22.553 -78.601 -57.942 1.00 50.01 H new ATOM 0 HB2 MET B 1 -24.256 -80.526 -57.490 1.00 49.83 H new ATOM 0 HB3 MET B 1 -25.418 -79.533 -58.345 1.00 49.83 H new ATOM 0 HG2 MET B 1 -23.967 -79.530 -60.348 1.00 50.16 H new ATOM 0 HG3 MET B 1 -22.771 -80.485 -59.495 1.00 50.16 H new ATOM 0 HE1 MET B 1 -24.185 -83.098 -62.043 1.00 50.90 H new ATOM 0 HE2 MET B 1 -23.891 -81.363 -62.309 1.00 50.90 H new ATOM 0 HE3 MET B 1 -22.727 -82.330 -61.371 1.00 50.90 H new ATOM 1243 N SER B 2 -25.323 -77.324 -59.050 1.00 50.14 N ATOM 1244 CA SER B 2 -25.865 -76.259 -59.874 1.00 50.28 C ATOM 1245 C SER B 2 -26.507 -75.172 -59.020 1.00 49.60 C ATOM 1246 O SER B 2 -26.507 -73.999 -59.394 1.00 49.19 O ATOM 1247 CB SER B 2 -26.887 -76.840 -60.845 1.00 50.63 C ATOM 1248 OG SER B 2 -26.627 -78.215 -61.086 1.00 50.88 O ATOM 0 H SER B 2 -25.970 -78.093 -58.878 1.00 50.14 H new ATOM 0 HA SER B 2 -25.048 -75.802 -60.433 1.00 50.28 H new ATOM 0 HB2 SER B 2 -27.891 -76.721 -60.438 1.00 50.63 H new ATOM 0 HB3 SER B 2 -26.857 -76.289 -61.785 1.00 50.63 H new ATOM 0 HG SER B 2 -27.294 -78.570 -61.710 1.00 50.88 H new ATOM 1254 N LEU B 3 -27.053 -75.566 -57.877 1.00 49.51 N ATOM 1255 CA LEU B 3 -27.697 -74.620 -56.980 1.00 48.94 C ATOM 1256 C LEU B 3 -26.668 -73.969 -56.068 1.00 48.22 C ATOM 1257 O LEU B 3 -26.480 -74.388 -54.926 1.00 48.18 O ATOM 1258 CB LEU B 3 -28.772 -75.321 -56.144 1.00 48.75 C ATOM 1259 CG LEU B 3 -29.997 -74.466 -55.815 1.00 48.99 C ATOM 1260 CD1 LEU B 3 -31.268 -75.298 -55.902 1.00 49.26 C ATOM 1261 CD2 LEU B 3 -29.865 -73.842 -54.432 1.00 48.96 C ATOM 0 H LEU B 3 -27.062 -76.532 -57.551 1.00 49.51 H new ATOM 0 HA LEU B 3 -28.172 -73.845 -57.582 1.00 48.94 H new ATOM 0 HB2 LEU B 3 -29.103 -76.212 -56.678 1.00 48.75 H new ATOM 0 HB3 LEU B 3 -28.322 -75.658 -55.210 1.00 48.75 H new ATOM 0 HG LEU B 3 -30.057 -73.662 -56.549 1.00 48.99 H new ATOM 0 HD11 LEU B 3 -32.129 -74.673 -55.665 1.00 49.26 H new ATOM 0 HD12 LEU B 3 -31.375 -75.695 -56.912 1.00 49.26 H new ATOM 0 HD13 LEU B 3 -31.212 -76.123 -55.192 1.00 49.26 H new ATOM 0 HD21 LEU B 3 -30.747 -73.238 -54.219 1.00 48.96 H new ATOM 0 HD22 LEU B 3 -29.776 -74.630 -53.684 1.00 48.96 H new ATOM 0 HD23 LEU B 3 -28.977 -73.210 -54.401 1.00 48.96 H new ATOM 1273 N GLU B 4 -25.975 -72.972 -56.584 1.00 47.69 N ATOM 1274 CA GLU B 4 -24.958 -72.280 -55.814 1.00 46.99 C ATOM 1275 C GLU B 4 -25.499 -70.957 -55.290 1.00 46.41 C ATOM 1276 O GLU B 4 -26.599 -70.539 -55.652 1.00 46.09 O ATOM 1277 CB GLU B 4 -23.715 -72.045 -56.669 1.00 47.08 C ATOM 1278 CG GLU B 4 -22.515 -72.873 -56.238 1.00 47.35 C ATOM 1279 CD GLU B 4 -22.432 -73.022 -54.736 1.00 47.87 C ATOM 1280 OE1 GLU B 4 -22.376 -71.991 -54.035 1.00 47.70 O ATOM 1281 OE2 GLU B 4 -22.429 -74.170 -54.244 1.00 48.48 O ATOM 0 H GLU B 4 -26.098 -72.622 -57.534 1.00 47.69 H new ATOM 0 HA GLU B 4 -24.682 -72.903 -54.963 1.00 46.99 H new ATOM 0 HB2 GLU B 4 -23.950 -72.275 -57.708 1.00 47.08 H new ATOM 0 HB3 GLU B 4 -23.450 -70.988 -56.628 1.00 47.08 H new ATOM 0 HG2 GLU B 4 -22.574 -73.860 -56.696 1.00 47.35 H new ATOM 0 HG3 GLU B 4 -21.602 -72.405 -56.606 1.00 47.35 H new ATOM 1288 N LYS B 5 -24.737 -70.314 -54.419 1.00 46.34 N ATOM 1289 CA LYS B 5 -25.148 -69.049 -53.836 1.00 45.89 C ATOM 1290 C LYS B 5 -23.939 -68.161 -53.592 1.00 45.32 C ATOM 1291 O LYS B 5 -22.801 -68.628 -53.631 1.00 45.40 O ATOM 1292 CB LYS B 5 -25.891 -69.282 -52.522 1.00 46.20 C ATOM 1293 CG LYS B 5 -27.403 -69.285 -52.671 1.00 46.45 C ATOM 1294 CD LYS B 5 -28.012 -70.565 -52.126 1.00 47.12 C ATOM 1295 CE LYS B 5 -29.446 -70.353 -51.671 1.00 47.36 C ATOM 1296 NZ LYS B 5 -29.760 -71.129 -50.444 1.00 47.29 N ATOM 0 H LYS B 5 -23.828 -70.650 -54.100 1.00 46.34 H new ATOM 0 HA LYS B 5 -25.818 -68.552 -54.537 1.00 45.89 H new ATOM 0 HB2 LYS B 5 -25.574 -70.235 -52.099 1.00 46.20 H new ATOM 0 HB3 LYS B 5 -25.606 -68.507 -51.811 1.00 46.20 H new ATOM 0 HG2 LYS B 5 -27.823 -68.428 -52.145 1.00 46.45 H new ATOM 0 HG3 LYS B 5 -27.667 -69.174 -53.723 1.00 46.45 H new ATOM 0 HD2 LYS B 5 -27.984 -71.338 -52.894 1.00 47.12 H new ATOM 0 HD3 LYS B 5 -27.414 -70.926 -51.289 1.00 47.12 H new ATOM 0 HE2 LYS B 5 -29.614 -69.293 -51.482 1.00 47.36 H new ATOM 0 HE3 LYS B 5 -30.127 -70.646 -52.470 1.00 47.36 H new ATOM 0 HZ1 LYS B 5 -30.748 -70.956 -50.167 1.00 47.29 H new ATOM 0 HZ2 LYS B 5 -29.625 -72.143 -50.631 1.00 47.29 H new ATOM 0 HZ3 LYS B 5 -29.128 -70.832 -49.674 1.00 47.29 H new ATOM 1310 N ALA B 6 -24.190 -66.902 -53.278 1.00 44.78 N ATOM 1311 CA ALA B 6 -23.124 -65.973 -52.962 1.00 44.24 C ATOM 1312 C ALA B 6 -23.005 -65.817 -51.451 1.00 43.74 C ATOM 1313 O ALA B 6 -23.417 -64.807 -50.879 1.00 43.85 O ATOM 1314 CB ALA B 6 -23.380 -64.630 -53.625 1.00 44.52 C ATOM 0 H ALA B 6 -25.127 -66.500 -53.236 1.00 44.78 H new ATOM 0 HA ALA B 6 -22.183 -66.366 -53.346 1.00 44.24 H new ATOM 0 HB1 ALA B 6 -22.571 -63.942 -53.379 1.00 44.52 H new ATOM 0 HB2 ALA B 6 -23.428 -64.761 -54.706 1.00 44.52 H new ATOM 0 HB3 ALA B 6 -24.325 -64.222 -53.267 1.00 44.52 H new ATOM 1320 N HIS B 7 -22.498 -66.854 -50.803 1.00 43.26 N ATOM 1321 CA HIS B 7 -22.374 -66.865 -49.351 1.00 42.80 C ATOM 1322 C HIS B 7 -21.011 -66.338 -48.927 1.00 42.47 C ATOM 1323 O HIS B 7 -20.383 -66.871 -48.013 1.00 42.04 O ATOM 1324 CB HIS B 7 -22.584 -68.279 -48.810 1.00 42.48 C ATOM 1325 CG HIS B 7 -23.966 -68.519 -48.291 1.00 42.63 C ATOM 1326 ND1 HIS B 7 -24.550 -69.765 -48.242 1.00 42.29 N ATOM 1327 CD2 HIS B 7 -24.885 -67.656 -47.802 1.00 43.14 C ATOM 1328 CE1 HIS B 7 -25.769 -69.658 -47.750 1.00 42.58 C ATOM 1329 NE2 HIS B 7 -25.996 -68.389 -47.474 1.00 43.10 N ATOM 0 H HIS B 7 -22.164 -67.703 -51.260 1.00 43.26 H new ATOM 0 HA HIS B 7 -23.143 -66.213 -48.936 1.00 42.80 H new ATOM 0 HB2 HIS B 7 -22.372 -68.998 -49.601 1.00 42.48 H new ATOM 0 HB3 HIS B 7 -21.867 -68.464 -48.010 1.00 42.48 H new ATOM 0 HD2 HIS B 7 -24.766 -66.588 -47.691 1.00 43.14 H new ATOM 0 HE1 HIS B 7 -26.463 -70.472 -47.599 1.00 42.58 H new ATOM 0 HE2 HIS B 7 -26.859 -68.013 -47.080 1.00 43.10 H new ATOM 1338 N THR B 8 -20.562 -65.290 -49.598 1.00 42.72 N ATOM 1339 CA THR B 8 -19.277 -64.683 -49.302 1.00 42.49 C ATOM 1340 C THR B 8 -19.367 -63.804 -48.058 1.00 42.09 C ATOM 1341 O THR B 8 -20.317 -63.031 -47.900 1.00 42.17 O ATOM 1342 CB THR B 8 -18.791 -63.844 -50.497 1.00 43.02 C ATOM 1343 OG1 THR B 8 -19.523 -64.213 -51.678 1.00 43.54 O ATOM 1344 CG2 THR B 8 -17.302 -64.039 -50.737 1.00 43.04 C ATOM 0 H THR B 8 -21.074 -64.840 -50.357 1.00 42.72 H new ATOM 0 HA THR B 8 -18.562 -65.484 -49.114 1.00 42.49 H new ATOM 0 HB THR B 8 -18.965 -62.793 -50.268 1.00 43.02 H new ATOM 0 HG1 THR B 8 -19.212 -63.676 -52.437 1.00 43.54 H new ATOM 0 HG21 THR B 8 -16.988 -63.434 -51.587 1.00 43.04 H new ATOM 0 HG22 THR B 8 -16.747 -63.734 -49.850 1.00 43.04 H new ATOM 0 HG23 THR B 8 -17.102 -65.090 -50.946 1.00 43.04 H new ATOM 1352 N SER B 9 -18.401 -63.954 -47.160 1.00 41.72 N ATOM 1353 CA SER B 9 -18.379 -63.198 -45.914 1.00 41.37 C ATOM 1354 C SER B 9 -17.860 -61.778 -46.135 1.00 40.97 C ATOM 1355 O SER B 9 -16.862 -61.365 -45.539 1.00 40.81 O ATOM 1356 CB SER B 9 -17.510 -63.920 -44.884 1.00 41.56 C ATOM 1357 OG SER B 9 -17.383 -65.296 -45.205 1.00 41.99 O ATOM 0 H SER B 9 -17.617 -64.597 -47.273 1.00 41.72 H new ATOM 0 HA SER B 9 -19.401 -63.128 -45.541 1.00 41.37 H new ATOM 0 HB2 SER B 9 -16.523 -63.458 -44.847 1.00 41.56 H new ATOM 0 HB3 SER B 9 -17.949 -63.813 -43.892 1.00 41.56 H new ATOM 0 HG SER B 9 -16.822 -65.738 -44.534 1.00 41.99 H new ATOM 1363 N VAL B 10 -18.553 -61.026 -46.976 1.00 40.88 N ATOM 1364 CA VAL B 10 -18.175 -59.651 -47.258 1.00 40.57 C ATOM 1365 C VAL B 10 -18.925 -58.694 -46.342 1.00 39.78 C ATOM 1366 O VAL B 10 -20.154 -58.597 -46.395 1.00 39.60 O ATOM 1367 CB VAL B 10 -18.453 -59.269 -48.729 1.00 41.04 C ATOM 1368 CG1 VAL B 10 -17.856 -57.904 -49.048 1.00 41.05 C ATOM 1369 CG2 VAL B 10 -17.906 -60.330 -49.674 1.00 41.81 C ATOM 0 H VAL B 10 -19.382 -61.346 -47.476 1.00 40.88 H new ATOM 0 HA VAL B 10 -17.103 -59.571 -47.078 1.00 40.57 H new ATOM 0 HB VAL B 10 -19.532 -59.213 -48.870 1.00 41.04 H new ATOM 0 HG11 VAL B 10 -18.061 -57.651 -50.088 1.00 41.05 H new ATOM 0 HG12 VAL B 10 -18.301 -57.151 -48.397 1.00 41.05 H new ATOM 0 HG13 VAL B 10 -16.778 -57.932 -48.887 1.00 41.05 H new ATOM 0 HG21 VAL B 10 -18.113 -60.041 -50.704 1.00 41.81 H new ATOM 0 HG22 VAL B 10 -16.829 -60.423 -49.532 1.00 41.81 H new ATOM 0 HG23 VAL B 10 -18.384 -61.287 -49.463 1.00 41.81 H new ATOM 1379 N LYS B 11 -18.180 -58.001 -45.492 1.00 39.37 N ATOM 1380 CA LYS B 11 -18.763 -57.036 -44.572 1.00 38.66 C ATOM 1381 C LYS B 11 -17.804 -55.871 -44.369 1.00 37.92 C ATOM 1382 O LYS B 11 -16.938 -55.904 -43.492 1.00 37.86 O ATOM 1383 CB LYS B 11 -19.103 -57.689 -43.225 1.00 38.51 C ATOM 1384 CG LYS B 11 -18.237 -58.890 -42.881 1.00 38.70 C ATOM 1385 CD LYS B 11 -18.023 -59.005 -41.382 1.00 39.11 C ATOM 1386 CE LYS B 11 -16.832 -58.179 -40.924 1.00 39.26 C ATOM 1387 NZ LYS B 11 -15.658 -59.032 -40.602 1.00 39.34 N ATOM 0 H LYS B 11 -17.166 -58.090 -45.421 1.00 39.37 H new ATOM 0 HA LYS B 11 -19.691 -56.665 -45.006 1.00 38.66 H new ATOM 0 HB2 LYS B 11 -19.001 -56.944 -42.436 1.00 38.51 H new ATOM 0 HB3 LYS B 11 -20.148 -58.000 -43.237 1.00 38.51 H new ATOM 0 HG2 LYS B 11 -18.708 -59.799 -43.254 1.00 38.70 H new ATOM 0 HG3 LYS B 11 -17.273 -58.802 -43.382 1.00 38.70 H new ATOM 0 HD2 LYS B 11 -18.920 -58.673 -40.859 1.00 39.11 H new ATOM 0 HD3 LYS B 11 -17.867 -60.050 -41.115 1.00 39.11 H new ATOM 0 HE2 LYS B 11 -16.561 -57.468 -41.705 1.00 39.26 H new ATOM 0 HE3 LYS B 11 -17.110 -57.597 -40.045 1.00 39.26 H new ATOM 0 HZ1 LYS B 11 -14.867 -58.432 -40.294 1.00 39.34 H new ATOM 0 HZ2 LYS B 11 -15.908 -59.693 -39.839 1.00 39.34 H new ATOM 0 HZ3 LYS B 11 -15.376 -59.569 -41.447 1.00 39.34 H new ATOM 1401 N LYS B 12 -17.910 -54.880 -45.242 1.00 37.43 N ATOM 1402 CA LYS B 12 -17.020 -53.730 -45.207 1.00 36.75 C ATOM 1403 C LYS B 12 -17.319 -52.853 -43.997 1.00 36.06 C ATOM 1404 O LYS B 12 -18.408 -52.285 -43.876 1.00 35.87 O ATOM 1405 CB LYS B 12 -17.153 -52.917 -46.497 1.00 36.61 C ATOM 1406 CG LYS B 12 -16.577 -53.617 -47.717 1.00 36.83 C ATOM 1407 CD LYS B 12 -16.854 -52.841 -48.995 1.00 36.79 C ATOM 1408 CE LYS B 12 -18.184 -53.242 -49.611 1.00 36.93 C ATOM 1409 NZ LYS B 12 -18.527 -52.402 -50.787 1.00 36.94 N ATOM 0 H LYS B 12 -18.607 -54.850 -45.986 1.00 37.43 H new ATOM 0 HA LYS B 12 -15.995 -54.092 -45.124 1.00 36.75 H new ATOM 0 HB2 LYS B 12 -18.207 -52.702 -46.675 1.00 36.61 H new ATOM 0 HB3 LYS B 12 -16.650 -51.959 -46.367 1.00 36.61 H new ATOM 0 HG2 LYS B 12 -15.501 -53.740 -47.592 1.00 36.83 H new ATOM 0 HG3 LYS B 12 -17.004 -54.616 -47.798 1.00 36.83 H new ATOM 0 HD2 LYS B 12 -16.859 -51.772 -48.780 1.00 36.79 H new ATOM 0 HD3 LYS B 12 -16.052 -53.018 -49.711 1.00 36.79 H new ATOM 0 HE2 LYS B 12 -18.143 -54.289 -49.912 1.00 36.93 H new ATOM 0 HE3 LYS B 12 -18.971 -53.156 -48.862 1.00 36.93 H new ATOM 0 HZ1 LYS B 12 -19.441 -52.708 -51.177 1.00 36.94 H new ATOM 0 HZ2 LYS B 12 -18.591 -51.406 -50.495 1.00 36.94 H new ATOM 0 HZ3 LYS B 12 -17.789 -52.503 -51.513 1.00 36.94 H new ATOM 1423 N MET B 13 -16.356 -52.764 -43.094 1.00 35.73 N ATOM 1424 CA MET B 13 -16.509 -51.976 -41.884 1.00 35.11 C ATOM 1425 C MET B 13 -15.170 -51.393 -41.469 1.00 34.05 C ATOM 1426 O MET B 13 -14.158 -52.091 -41.458 1.00 33.69 O ATOM 1427 CB MET B 13 -17.075 -52.836 -40.751 1.00 35.48 C ATOM 1428 CG MET B 13 -17.746 -52.029 -39.648 1.00 35.31 C ATOM 1429 SD MET B 13 -18.083 -53.010 -38.171 1.00 35.65 S ATOM 1430 CE MET B 13 -18.323 -51.716 -36.954 1.00 35.62 C ATOM 0 H MET B 13 -15.454 -53.232 -43.178 1.00 35.73 H new ATOM 0 HA MET B 13 -17.206 -51.163 -42.087 1.00 35.11 H new ATOM 0 HB2 MET B 13 -17.798 -53.539 -41.166 1.00 35.48 H new ATOM 0 HB3 MET B 13 -16.268 -53.427 -40.317 1.00 35.48 H new ATOM 0 HG2 MET B 13 -17.108 -51.186 -39.381 1.00 35.31 H new ATOM 0 HG3 MET B 13 -18.681 -51.615 -40.025 1.00 35.31 H new ATOM 0 HE1 MET B 13 -18.541 -52.164 -35.985 1.00 35.62 H new ATOM 0 HE2 MET B 13 -17.418 -51.113 -36.880 1.00 35.62 H new ATOM 0 HE3 MET B 13 -19.157 -51.082 -37.256 1.00 35.62 H new ATOM 1440 N THR B 14 -15.163 -50.110 -41.152 1.00 33.61 N ATOM 1441 CA THR B 14 -13.947 -49.435 -40.737 1.00 32.62 C ATOM 1442 C THR B 14 -13.659 -49.710 -39.263 1.00 31.94 C ATOM 1443 O THR B 14 -14.584 -49.823 -38.451 1.00 32.15 O ATOM 1444 CB THR B 14 -14.057 -47.927 -40.975 1.00 32.54 C ATOM 1445 OG1 THR B 14 -15.414 -47.501 -40.784 1.00 33.35 O ATOM 1446 CG2 THR B 14 -13.599 -47.564 -42.382 1.00 32.48 C ATOM 0 H THR B 14 -15.990 -49.513 -41.174 1.00 33.61 H new ATOM 0 HA THR B 14 -13.123 -49.824 -41.336 1.00 32.62 H new ATOM 0 HB THR B 14 -13.411 -47.419 -40.259 1.00 32.54 H new ATOM 0 HG1 THR B 14 -15.478 -46.535 -40.936 1.00 33.35 H new ATOM 0 HG21 THR B 14 -13.687 -46.487 -42.527 1.00 32.48 H new ATOM 0 HG22 THR B 14 -12.560 -47.865 -42.515 1.00 32.48 H new ATOM 0 HG23 THR B 14 -14.222 -48.080 -43.112 1.00 32.48 H new ATOM 1454 N PHE B 15 -12.388 -49.911 -38.935 1.00 31.19 N ATOM 1455 CA PHE B 15 -12.004 -50.280 -37.576 1.00 30.54 C ATOM 1456 C PHE B 15 -11.822 -49.047 -36.691 1.00 29.77 C ATOM 1457 O PHE B 15 -11.783 -49.156 -35.464 1.00 29.39 O ATOM 1458 CB PHE B 15 -10.725 -51.133 -37.596 1.00 30.31 C ATOM 1459 CG PHE B 15 -9.442 -50.347 -37.635 1.00 30.09 C ATOM 1460 CD1 PHE B 15 -9.024 -49.735 -38.805 1.00 30.43 C ATOM 1461 CD2 PHE B 15 -8.653 -50.227 -36.501 1.00 29.61 C ATOM 1462 CE1 PHE B 15 -7.848 -49.014 -38.843 1.00 30.32 C ATOM 1463 CE2 PHE B 15 -7.476 -49.509 -36.534 1.00 29.47 C ATOM 1464 CZ PHE B 15 -7.072 -48.901 -37.705 1.00 29.84 C ATOM 0 H PHE B 15 -11.609 -49.825 -39.587 1.00 31.19 H new ATOM 0 HA PHE B 15 -12.812 -50.873 -37.147 1.00 30.54 H new ATOM 0 HB2 PHE B 15 -10.717 -51.771 -36.712 1.00 30.31 H new ATOM 0 HB3 PHE B 15 -10.758 -51.791 -38.464 1.00 30.31 H new ATOM 0 HD1 PHE B 15 -9.625 -49.823 -39.698 1.00 30.43 H new ATOM 0 HD2 PHE B 15 -8.964 -50.701 -35.582 1.00 29.61 H new ATOM 0 HE1 PHE B 15 -7.534 -48.539 -39.761 1.00 30.32 H new ATOM 0 HE2 PHE B 15 -6.871 -49.423 -35.644 1.00 29.47 H new ATOM 0 HZ PHE B 15 -6.151 -48.338 -37.732 1.00 29.84 H new ATOM 1474 N GLY B 16 -11.677 -47.886 -37.315 1.00 29.61 N ATOM 1475 CA GLY B 16 -11.462 -46.665 -36.564 1.00 28.95 C ATOM 1476 C GLY B 16 -10.092 -46.081 -36.826 1.00 28.38 C ATOM 1477 O GLY B 16 -9.164 -46.279 -36.042 1.00 27.86 O ATOM 0 H GLY B 16 -11.704 -47.768 -38.328 1.00 29.61 H new ATOM 0 HA2 GLY B 16 -12.226 -45.935 -36.830 1.00 28.95 H new ATOM 0 HA3 GLY B 16 -11.573 -46.868 -35.499 1.00 28.95 H new ATOM 1481 N GLU B 17 -9.943 -45.433 -37.970 1.00 28.54 N ATOM 1482 CA GLU B 17 -8.660 -44.891 -38.382 1.00 28.12 C ATOM 1483 C GLU B 17 -8.694 -43.367 -38.382 1.00 27.58 C ATOM 1484 O GLU B 17 -7.736 -42.718 -38.800 1.00 27.25 O ATOM 1485 CB GLU B 17 -8.307 -45.403 -39.778 1.00 28.76 C ATOM 1486 CG GLU B 17 -6.827 -45.669 -39.985 1.00 28.83 C ATOM 1487 CD GLU B 17 -6.456 -45.716 -41.451 1.00 28.83 C ATOM 1488 OE1 GLU B 17 -6.754 -44.743 -42.178 1.00 29.03 O ATOM 1489 OE2 GLU B 17 -5.849 -46.723 -41.879 1.00 28.71 O ATOM 0 H GLU B 17 -10.701 -45.269 -38.633 1.00 28.54 H new ATOM 0 HA GLU B 17 -7.900 -45.219 -37.673 1.00 28.12 H new ATOM 0 HB2 GLU B 17 -8.860 -46.323 -39.966 1.00 28.76 H new ATOM 0 HB3 GLU B 17 -8.641 -44.673 -40.516 1.00 28.76 H new ATOM 0 HG2 GLU B 17 -6.247 -44.891 -39.490 1.00 28.83 H new ATOM 0 HG3 GLU B 17 -6.560 -46.615 -39.514 1.00 28.83 H new ATOM 1496 N ASN B 18 -9.807 -42.803 -37.930 1.00 27.58 N ATOM 1497 CA ASN B 18 -9.975 -41.355 -37.915 1.00 27.16 C ATOM 1498 C ASN B 18 -9.113 -40.723 -36.822 1.00 26.33 C ATOM 1499 O ASN B 18 -8.459 -39.701 -37.055 1.00 26.18 O ATOM 1500 CB ASN B 18 -11.464 -40.988 -37.748 1.00 27.37 C ATOM 1501 CG ASN B 18 -11.765 -40.119 -36.534 1.00 27.17 C ATOM 1502 OD1 ASN B 18 -11.486 -38.918 -36.522 1.00 26.74 O ATOM 1503 ND2 ASN B 18 -12.357 -40.717 -35.514 1.00 27.56 N ATOM 0 H ASN B 18 -10.606 -43.325 -37.569 1.00 27.58 H new ATOM 0 HA ASN B 18 -9.639 -40.953 -38.871 1.00 27.16 H new ATOM 0 HB2 ASN B 18 -11.800 -40.467 -38.645 1.00 27.37 H new ATOM 0 HB3 ASN B 18 -12.046 -41.907 -37.676 1.00 27.37 H new ATOM 0 HD21 ASN B 18 -12.599 -40.182 -34.680 1.00 27.56 H new ATOM 0 HD22 ASN B 18 -12.572 -41.713 -35.561 1.00 27.56 H new ATOM 1510 N ARG B 19 -9.074 -41.372 -35.656 1.00 25.86 N ATOM 1511 CA ARG B 19 -8.275 -40.914 -34.518 1.00 25.09 C ATOM 1512 C ARG B 19 -8.573 -39.452 -34.193 1.00 24.28 C ATOM 1513 O ARG B 19 -7.732 -38.575 -34.381 1.00 23.72 O ATOM 1514 CB ARG B 19 -6.778 -41.102 -34.799 1.00 24.95 C ATOM 1515 CG ARG B 19 -5.898 -40.933 -33.569 1.00 25.02 C ATOM 1516 CD ARG B 19 -4.464 -40.604 -33.950 1.00 25.65 C ATOM 1517 NE ARG B 19 -3.716 -40.034 -32.834 1.00 25.93 N ATOM 1518 CZ ARG B 19 -2.962 -38.940 -32.922 1.00 26.41 C ATOM 1519 NH1 ARG B 19 -2.881 -38.273 -34.069 1.00 26.67 N ATOM 1520 NH2 ARG B 19 -2.296 -38.507 -31.860 1.00 26.71 N ATOM 0 H ARG B 19 -9.595 -42.230 -35.475 1.00 25.86 H new ATOM 0 HA ARG B 19 -8.546 -41.518 -33.652 1.00 25.09 H new ATOM 0 HB2 ARG B 19 -6.618 -42.096 -35.215 1.00 24.95 H new ATOM 0 HB3 ARG B 19 -6.467 -40.385 -35.558 1.00 24.95 H new ATOM 0 HG2 ARG B 19 -6.300 -40.139 -32.940 1.00 25.02 H new ATOM 0 HG3 ARG B 19 -5.917 -41.849 -32.978 1.00 25.02 H new ATOM 0 HD2 ARG B 19 -3.965 -41.509 -34.296 1.00 25.65 H new ATOM 0 HD3 ARG B 19 -4.463 -39.901 -34.783 1.00 25.65 H new ATOM 0 HE ARG B 19 -3.774 -40.503 -31.930 1.00 25.93 H new ATOM 0 HH11 ARG B 19 -3.398 -38.599 -34.886 1.00 26.67 H new ATOM 0 HH12 ARG B 19 -2.302 -37.435 -34.132 1.00 26.67 H new ATOM 0 HH21 ARG B 19 -2.361 -39.012 -30.976 1.00 26.71 H new ATOM 0 HH22 ARG B 19 -1.718 -37.669 -31.927 1.00 26.71 H new ATOM 1534 N ASP B 20 -9.783 -39.195 -33.725 1.00 24.30 N ATOM 1535 CA ASP B 20 -10.197 -37.837 -33.396 1.00 23.61 C ATOM 1536 C ASP B 20 -9.665 -37.433 -32.026 1.00 22.79 C ATOM 1537 O ASP B 20 -10.352 -37.565 -31.012 1.00 22.56 O ATOM 1538 CB ASP B 20 -11.724 -37.716 -33.430 1.00 24.06 C ATOM 1539 CG ASP B 20 -12.207 -36.314 -33.117 1.00 23.62 C ATOM 1540 OD1 ASP B 20 -11.567 -35.338 -33.568 1.00 23.49 O ATOM 1541 OD2 ASP B 20 -13.233 -36.180 -32.424 1.00 23.48 O ATOM 0 H ASP B 20 -10.496 -39.906 -33.564 1.00 24.30 H new ATOM 0 HA ASP B 20 -9.780 -37.162 -34.143 1.00 23.61 H new ATOM 0 HB2 ASP B 20 -12.086 -38.009 -34.416 1.00 24.06 H new ATOM 0 HB3 ASP B 20 -12.156 -38.413 -32.712 1.00 24.06 H new ATOM 1546 N LEU B 21 -8.403 -37.025 -31.994 1.00 22.46 N ATOM 1547 CA LEU B 21 -7.751 -36.661 -30.747 1.00 21.76 C ATOM 1548 C LEU B 21 -6.942 -35.378 -30.912 1.00 20.84 C ATOM 1549 O LEU B 21 -5.729 -35.359 -30.687 1.00 20.32 O ATOM 1550 CB LEU B 21 -6.850 -37.802 -30.268 1.00 21.92 C ATOM 1551 CG LEU B 21 -7.515 -38.790 -29.306 1.00 22.37 C ATOM 1552 CD1 LEU B 21 -7.729 -40.133 -29.987 1.00 22.89 C ATOM 1553 CD2 LEU B 21 -6.682 -38.960 -28.045 1.00 22.42 C ATOM 0 H LEU B 21 -7.811 -36.938 -32.820 1.00 22.46 H new ATOM 0 HA LEU B 21 -8.521 -36.483 -29.996 1.00 21.76 H new ATOM 0 HB2 LEU B 21 -6.491 -38.351 -31.138 1.00 21.92 H new ATOM 0 HB3 LEU B 21 -5.976 -37.373 -29.778 1.00 21.92 H new ATOM 0 HG LEU B 21 -8.487 -38.386 -29.021 1.00 22.37 H new ATOM 0 HD11 LEU B 21 -8.203 -40.823 -29.289 1.00 22.89 H new ATOM 0 HD12 LEU B 21 -8.370 -40.001 -30.858 1.00 22.89 H new ATOM 0 HD13 LEU B 21 -6.768 -40.538 -30.302 1.00 22.89 H new ATOM 0 HD21 LEU B 21 -7.174 -39.666 -27.376 1.00 22.42 H new ATOM 0 HD22 LEU B 21 -5.695 -39.338 -28.309 1.00 22.42 H new ATOM 0 HD23 LEU B 21 -6.580 -37.997 -27.544 1.00 22.42 H new ATOM 1565 N GLU B 22 -7.624 -34.299 -31.270 1.00 20.72 N ATOM 1566 CA GLU B 22 -6.982 -33.001 -31.409 1.00 19.93 C ATOM 1567 C GLU B 22 -7.242 -32.160 -30.165 1.00 19.41 C ATOM 1568 O GLU B 22 -8.253 -31.463 -30.076 1.00 19.74 O ATOM 1569 CB GLU B 22 -7.504 -32.268 -32.647 1.00 20.20 C ATOM 1570 CG GLU B 22 -7.208 -32.984 -33.957 1.00 20.30 C ATOM 1571 CD GLU B 22 -5.727 -33.056 -34.267 1.00 19.89 C ATOM 1572 OE1 GLU B 22 -4.942 -32.285 -33.672 1.00 19.52 O ATOM 1573 OE2 GLU B 22 -5.337 -33.891 -35.110 1.00 20.02 O ATOM 0 H GLU B 22 -8.624 -34.298 -31.470 1.00 20.72 H new ATOM 0 HA GLU B 22 -5.909 -33.157 -31.525 1.00 19.93 H new ATOM 0 HB2 GLU B 22 -8.582 -32.136 -32.552 1.00 20.20 H new ATOM 0 HB3 GLU B 22 -7.063 -31.272 -32.681 1.00 20.20 H new ATOM 0 HG2 GLU B 22 -7.615 -33.994 -33.913 1.00 20.30 H new ATOM 0 HG3 GLU B 22 -7.720 -32.470 -34.770 1.00 20.30 H new ATOM 1580 N ARG B 23 -6.367 -32.289 -29.181 1.00 18.69 N ATOM 1581 CA ARG B 23 -6.531 -31.584 -27.918 1.00 18.19 C ATOM 1582 C ARG B 23 -5.244 -30.875 -27.526 1.00 17.33 C ATOM 1583 O ARG B 23 -4.208 -31.511 -27.343 1.00 17.06 O ATOM 1584 CB ARG B 23 -6.943 -32.559 -26.815 1.00 18.28 C ATOM 1585 CG ARG B 23 -8.322 -33.162 -27.018 1.00 18.65 C ATOM 1586 CD ARG B 23 -8.712 -34.055 -25.855 1.00 18.48 C ATOM 1587 NE ARG B 23 -9.091 -35.398 -26.289 1.00 18.13 N ATOM 1588 CZ ARG B 23 -8.742 -36.513 -25.642 1.00 17.91 C ATOM 1589 NH1 ARG B 23 -7.919 -36.453 -24.603 1.00 18.00 N ATOM 1590 NH2 ARG B 23 -9.191 -37.689 -26.054 1.00 17.74 N ATOM 0 H ARG B 23 -5.534 -32.876 -29.232 1.00 18.69 H new ATOM 0 HA ARG B 23 -7.315 -30.838 -28.045 1.00 18.19 H new ATOM 0 HB2 ARG B 23 -6.209 -33.363 -26.760 1.00 18.28 H new ATOM 0 HB3 ARG B 23 -6.920 -32.040 -25.857 1.00 18.28 H new ATOM 0 HG2 ARG B 23 -9.057 -32.365 -27.129 1.00 18.65 H new ATOM 0 HG3 ARG B 23 -8.336 -33.739 -27.943 1.00 18.65 H new ATOM 0 HD2 ARG B 23 -7.878 -34.123 -25.157 1.00 18.48 H new ATOM 0 HD3 ARG B 23 -9.543 -33.602 -25.315 1.00 18.48 H new ATOM 0 HE ARG B 23 -9.654 -35.489 -27.134 1.00 18.13 H new ATOM 0 HH11 ARG B 23 -7.550 -35.553 -24.296 1.00 18.00 H new ATOM 0 HH12 ARG B 23 -7.655 -37.307 -24.112 1.00 18.00 H new ATOM 0 HH21 ARG B 23 -9.805 -37.744 -26.867 1.00 17.74 H new ATOM 0 HH22 ARG B 23 -8.923 -38.539 -25.558 1.00 17.74 H new ATOM 1604 N VAL B 24 -5.320 -29.558 -27.390 1.00 17.00 N ATOM 1605 CA VAL B 24 -4.164 -28.768 -26.989 1.00 16.23 C ATOM 1606 C VAL B 24 -3.888 -28.950 -25.498 1.00 15.49 C ATOM 1607 O VAL B 24 -4.722 -28.613 -24.651 1.00 15.64 O ATOM 1608 CB VAL B 24 -4.363 -27.267 -27.295 1.00 16.53 C ATOM 1609 CG1 VAL B 24 -3.085 -26.488 -27.012 1.00 16.12 C ATOM 1610 CG2 VAL B 24 -4.798 -27.071 -28.739 1.00 17.37 C ATOM 0 H VAL B 24 -6.168 -29.015 -27.551 1.00 17.00 H new ATOM 0 HA VAL B 24 -3.311 -29.124 -27.567 1.00 16.23 H new ATOM 0 HB VAL B 24 -5.149 -26.885 -26.643 1.00 16.53 H new ATOM 0 HG11 VAL B 24 -3.245 -25.433 -27.234 1.00 16.12 H new ATOM 0 HG12 VAL B 24 -2.815 -26.601 -25.962 1.00 16.12 H new ATOM 0 HG13 VAL B 24 -2.279 -26.872 -27.637 1.00 16.12 H new ATOM 0 HG21 VAL B 24 -4.934 -26.008 -28.937 1.00 17.37 H new ATOM 0 HG22 VAL B 24 -4.034 -27.470 -29.406 1.00 17.37 H new ATOM 0 HG23 VAL B 24 -5.739 -27.595 -28.910 1.00 17.37 H new ATOM 1620 N VAL B 25 -2.742 -29.534 -25.184 1.00 14.81 N ATOM 1621 CA VAL B 25 -2.370 -29.793 -23.801 1.00 14.13 C ATOM 1622 C VAL B 25 -1.017 -29.171 -23.479 1.00 13.38 C ATOM 1623 O VAL B 25 0.031 -29.744 -23.780 1.00 13.23 O ATOM 1624 CB VAL B 25 -2.316 -31.304 -23.489 1.00 14.18 C ATOM 1625 CG1 VAL B 25 -2.171 -31.540 -21.992 1.00 13.94 C ATOM 1626 CG2 VAL B 25 -3.553 -32.012 -24.023 1.00 14.46 C ATOM 0 H VAL B 25 -2.051 -29.838 -25.870 1.00 14.81 H new ATOM 0 HA VAL B 25 -3.142 -29.339 -23.180 1.00 14.13 H new ATOM 0 HB VAL B 25 -1.442 -31.721 -23.989 1.00 14.18 H new ATOM 0 HG11 VAL B 25 -2.135 -32.611 -21.794 1.00 13.94 H new ATOM 0 HG12 VAL B 25 -1.251 -31.074 -21.638 1.00 13.94 H new ATOM 0 HG13 VAL B 25 -3.023 -31.103 -21.471 1.00 13.94 H new ATOM 0 HG21 VAL B 25 -3.492 -33.075 -23.791 1.00 14.46 H new ATOM 0 HG22 VAL B 25 -4.443 -31.589 -23.558 1.00 14.46 H new ATOM 0 HG23 VAL B 25 -3.610 -31.879 -25.103 1.00 14.46 H new ATOM 1636 N THR B 26 -1.046 -27.998 -22.869 1.00 13.07 N ATOM 1637 CA THR B 26 0.175 -27.312 -22.475 1.00 12.47 C ATOM 1638 C THR B 26 -0.055 -26.513 -21.199 1.00 11.78 C ATOM 1639 O THR B 26 -0.440 -25.345 -21.246 1.00 11.91 O ATOM 1640 CB THR B 26 0.686 -26.368 -23.587 1.00 12.87 C ATOM 1641 OG1 THR B 26 -0.197 -26.404 -24.721 1.00 13.71 O ATOM 1642 CG2 THR B 26 2.090 -26.757 -24.024 1.00 12.94 C ATOM 0 H THR B 26 -1.904 -27.499 -22.635 1.00 13.07 H new ATOM 0 HA THR B 26 0.933 -28.075 -22.300 1.00 12.47 H new ATOM 0 HB THR B 26 0.711 -25.356 -23.182 1.00 12.87 H new ATOM 0 HG1 THR B 26 0.138 -25.800 -25.416 1.00 13.71 H new ATOM 0 HG21 THR B 26 2.428 -26.079 -24.807 1.00 12.94 H new ATOM 0 HG22 THR B 26 2.767 -26.694 -23.172 1.00 12.94 H new ATOM 0 HG23 THR B 26 2.082 -27.778 -24.407 1.00 12.94 H new ATOM 1650 N ALA B 27 0.115 -27.167 -20.060 1.00 11.17 N ATOM 1651 CA ALA B 27 -0.116 -26.534 -18.771 1.00 10.52 C ATOM 1652 C ALA B 27 1.207 -26.164 -18.109 1.00 9.95 C ATOM 1653 O ALA B 27 1.946 -27.038 -17.652 1.00 9.71 O ATOM 1654 CB ALA B 27 -0.923 -27.457 -17.871 1.00 10.28 C ATOM 0 H ALA B 27 0.414 -28.141 -20.003 1.00 11.17 H new ATOM 0 HA ALA B 27 -0.684 -25.618 -18.931 1.00 10.52 H new ATOM 0 HB1 ALA B 27 -1.090 -26.973 -16.909 1.00 10.28 H new ATOM 0 HB2 ALA B 27 -1.883 -27.674 -18.339 1.00 10.28 H new ATOM 0 HB3 ALA B 27 -0.375 -28.387 -17.719 1.00 10.28 H new ATOM 1660 N PRO B 28 1.547 -24.866 -18.091 1.00 9.96 N ATOM 1661 CA PRO B 28 2.802 -24.377 -17.522 1.00 9.63 C ATOM 1662 C PRO B 28 2.781 -24.383 -15.998 1.00 8.60 C ATOM 1663 O PRO B 28 1.714 -24.336 -15.381 1.00 8.30 O ATOM 1664 CB PRO B 28 2.913 -22.935 -18.049 1.00 10.21 C ATOM 1665 CG PRO B 28 1.810 -22.777 -19.042 1.00 10.68 C ATOM 1666 CD PRO B 28 0.756 -23.771 -18.653 1.00 10.54 C ATOM 0 HA PRO B 28 3.645 -25.008 -17.805 1.00 9.63 H new ATOM 0 HB2 PRO B 28 2.815 -22.214 -17.238 1.00 10.21 H new ATOM 0 HB3 PRO B 28 3.884 -22.762 -18.513 1.00 10.21 H new ATOM 0 HG2 PRO B 28 1.413 -21.762 -19.026 1.00 10.68 H new ATOM 0 HG3 PRO B 28 2.167 -22.964 -20.055 1.00 10.68 H new ATOM 0 HD2 PRO B 28 0.058 -23.359 -17.924 1.00 10.54 H new ATOM 0 HD3 PRO B 28 0.167 -24.095 -19.511 1.00 10.54 H new ATOM 1674 N VAL B 29 3.959 -24.413 -15.396 1.00 8.25 N ATOM 1675 CA VAL B 29 4.078 -24.385 -13.946 1.00 7.38 C ATOM 1676 C VAL B 29 4.987 -23.244 -13.513 1.00 6.86 C ATOM 1677 O VAL B 29 6.031 -23.466 -12.895 1.00 6.83 O ATOM 1678 CB VAL B 29 4.619 -25.717 -13.369 1.00 7.36 C ATOM 1679 CG1 VAL B 29 3.585 -26.359 -12.459 1.00 7.30 C ATOM 1680 CG2 VAL B 29 5.029 -26.680 -14.474 1.00 8.00 C ATOM 0 H VAL B 29 4.850 -24.457 -15.891 1.00 8.25 H new ATOM 0 HA VAL B 29 3.073 -24.235 -13.552 1.00 7.38 H new ATOM 0 HB VAL B 29 5.510 -25.488 -12.784 1.00 7.36 H new ATOM 0 HG11 VAL B 29 3.980 -27.294 -12.062 1.00 7.30 H new ATOM 0 HG12 VAL B 29 3.355 -25.683 -11.635 1.00 7.30 H new ATOM 0 HG13 VAL B 29 2.677 -26.561 -13.026 1.00 7.30 H new ATOM 0 HG21 VAL B 29 5.403 -27.603 -14.032 1.00 8.00 H new ATOM 0 HG22 VAL B 29 4.166 -26.902 -15.102 1.00 8.00 H new ATOM 0 HG23 VAL B 29 5.812 -26.225 -15.081 1.00 8.00 H new ATOM 1690 N SER B 30 4.587 -22.024 -13.838 1.00 6.76 N ATOM 1691 CA SER B 30 5.355 -20.842 -13.484 1.00 6.54 C ATOM 1692 C SER B 30 5.350 -20.632 -11.976 1.00 5.55 C ATOM 1693 O SER B 30 4.442 -21.092 -11.279 1.00 5.55 O ATOM 1694 CB SER B 30 4.774 -19.620 -14.190 1.00 7.31 C ATOM 1695 OG SER B 30 4.383 -19.946 -15.512 1.00 8.13 O ATOM 0 H SER B 30 3.727 -21.827 -14.351 1.00 6.76 H new ATOM 0 HA SER B 30 6.387 -20.984 -13.805 1.00 6.54 H new ATOM 0 HB2 SER B 30 3.915 -19.246 -13.633 1.00 7.31 H new ATOM 0 HB3 SER B 30 5.514 -18.820 -14.211 1.00 7.31 H new ATOM 0 HG SER B 30 4.011 -19.151 -15.949 1.00 8.13 H new ATOM 1701 N SER B 31 6.378 -19.973 -11.469 1.00 5.05 N ATOM 1702 CA SER B 31 6.497 -19.747 -10.041 1.00 4.38 C ATOM 1703 C SER B 31 5.613 -18.583 -9.602 1.00 3.76 C ATOM 1704 O SER B 31 5.375 -17.641 -10.368 1.00 4.12 O ATOM 1705 CB SER B 31 7.957 -19.479 -9.675 1.00 4.89 C ATOM 1706 OG SER B 31 8.811 -19.740 -10.780 1.00 5.76 O ATOM 0 H SER B 31 7.141 -19.586 -12.025 1.00 5.05 H new ATOM 0 HA SER B 31 6.161 -20.642 -9.518 1.00 4.38 H new ATOM 0 HB2 SER B 31 8.072 -18.443 -9.357 1.00 4.89 H new ATOM 0 HB3 SER B 31 8.246 -20.105 -8.831 1.00 4.89 H new ATOM 0 HG SER B 31 9.740 -19.561 -10.525 1.00 5.76 H new ATOM 1712 N GLY B 32 5.136 -18.655 -8.371 1.00 3.21 N ATOM 1713 CA GLY B 32 4.308 -17.606 -7.817 1.00 3.08 C ATOM 1714 C GLY B 32 4.875 -17.097 -6.511 1.00 2.11 C ATOM 1715 O GLY B 32 4.140 -16.778 -5.577 1.00 2.56 O ATOM 0 H GLY B 32 5.311 -19.434 -7.736 1.00 3.21 H new ATOM 0 HA2 GLY B 32 4.232 -16.784 -8.529 1.00 3.08 H new ATOM 0 HA3 GLY B 32 3.298 -17.983 -7.656 1.00 3.08 H new ATOM 1719 N LYS B 33 6.196 -17.016 -6.455 1.00 1.35 N ATOM 1720 CA LYS B 33 6.900 -16.560 -5.266 1.00 0.80 C ATOM 1721 C LYS B 33 7.032 -15.039 -5.265 1.00 0.59 C ATOM 1722 O LYS B 33 8.082 -14.499 -4.915 1.00 0.58 O ATOM 1723 CB LYS B 33 8.287 -17.202 -5.209 1.00 1.23 C ATOM 1724 CG LYS B 33 8.493 -18.128 -4.020 1.00 2.23 C ATOM 1725 CD LYS B 33 9.965 -18.458 -3.826 1.00 3.13 C ATOM 1726 CE LYS B 33 10.659 -17.428 -2.946 1.00 4.15 C ATOM 1727 NZ LYS B 33 11.694 -16.664 -3.690 1.00 4.99 N ATOM 0 H LYS B 33 6.809 -17.264 -7.231 1.00 1.35 H new ATOM 0 HA LYS B 33 6.326 -16.856 -4.388 1.00 0.80 H new ATOM 0 HB2 LYS B 33 8.453 -17.765 -6.128 1.00 1.23 H new ATOM 0 HB3 LYS B 33 9.040 -16.414 -5.177 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.101 -17.658 -3.118 1.00 2.23 H new ATOM 0 HG3 LYS B 33 7.928 -19.048 -4.171 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.061 -19.446 -3.375 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.460 -18.501 -4.796 1.00 3.13 H new ATOM 0 HE2 LYS B 33 9.918 -16.737 -2.544 1.00 4.15 H new ATOM 0 HE3 LYS B 33 11.121 -17.930 -2.096 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 11.935 -15.801 -3.162 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 12.545 -17.251 -3.802 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 11.327 -16.404 -4.628 1.00 4.99 H new ATOM 1741 N ILE B 34 5.966 -14.358 -5.659 1.00 0.67 N ATOM 1742 CA ILE B 34 5.964 -12.906 -5.719 1.00 0.59 C ATOM 1743 C ILE B 34 4.596 -12.350 -5.317 1.00 0.57 C ATOM 1744 O ILE B 34 3.558 -12.946 -5.613 1.00 0.68 O ATOM 1745 CB ILE B 34 6.372 -12.416 -7.141 1.00 0.78 C ATOM 1746 CG1 ILE B 34 7.800 -11.869 -7.112 1.00 1.38 C ATOM 1747 CG2 ILE B 34 5.415 -11.363 -7.688 1.00 1.45 C ATOM 1748 CD1 ILE B 34 8.547 -12.051 -8.417 1.00 1.92 C ATOM 0 H ILE B 34 5.088 -14.792 -5.943 1.00 0.67 H new ATOM 0 HA ILE B 34 6.700 -12.531 -5.008 1.00 0.59 H new ATOM 0 HB ILE B 34 6.320 -13.274 -7.811 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.768 -10.807 -6.866 1.00 1.38 H new ATOM 0 HG13 ILE B 34 8.354 -12.364 -6.314 1.00 1.38 H new ATOM 0 HG21 ILE B 34 5.743 -11.054 -8.681 1.00 1.45 H new ATOM 0 HG22 ILE B 34 4.411 -11.782 -7.751 1.00 1.45 H new ATOM 0 HG23 ILE B 34 5.406 -10.499 -7.024 1.00 1.45 H new ATOM 0 HD11 ILE B 34 9.552 -11.639 -8.322 1.00 1.92 H new ATOM 0 HD12 ILE B 34 8.611 -13.113 -8.655 1.00 1.92 H new ATOM 0 HD13 ILE B 34 8.017 -11.532 -9.215 1.00 1.92 H new ATOM 1760 N LYS B 35 4.618 -11.210 -4.646 1.00 0.54 N ATOM 1761 CA LYS B 35 3.409 -10.513 -4.224 1.00 0.58 C ATOM 1762 C LYS B 35 3.391 -9.121 -4.845 1.00 0.59 C ATOM 1763 O LYS B 35 4.415 -8.657 -5.337 1.00 0.67 O ATOM 1764 CB LYS B 35 3.357 -10.411 -2.700 1.00 0.70 C ATOM 1765 CG LYS B 35 3.060 -11.731 -2.008 1.00 0.94 C ATOM 1766 CD LYS B 35 1.576 -12.063 -2.044 1.00 1.25 C ATOM 1767 CE LYS B 35 1.339 -13.563 -1.993 1.00 1.12 C ATOM 1768 NZ LYS B 35 0.085 -13.902 -1.271 1.00 1.30 N ATOM 0 H LYS B 35 5.480 -10.737 -4.376 1.00 0.54 H new ATOM 0 HA LYS B 35 2.536 -11.073 -4.559 1.00 0.58 H new ATOM 0 HB2 LYS B 35 4.311 -10.028 -2.338 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.595 -9.684 -2.419 1.00 0.70 H new ATOM 0 HG2 LYS B 35 3.624 -12.530 -2.490 1.00 0.94 H new ATOM 0 HG3 LYS B 35 3.397 -11.683 -0.973 1.00 0.94 H new ATOM 0 HD2 LYS B 35 1.075 -11.586 -1.202 1.00 1.25 H new ATOM 0 HD3 LYS B 35 1.133 -11.654 -2.952 1.00 1.25 H new ATOM 0 HE2 LYS B 35 1.292 -13.958 -3.008 1.00 1.12 H new ATOM 0 HE3 LYS B 35 2.183 -14.047 -1.502 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 -0.040 -14.934 -1.258 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 0.140 -13.548 -0.295 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 -0.724 -13.461 -1.754 1.00 1.30 H new ATOM 1782 N ARG B 36 2.247 -8.454 -4.822 1.00 0.63 N ATOM 1783 CA ARG B 36 2.149 -7.118 -5.406 1.00 0.65 C ATOM 1784 C ARG B 36 1.701 -6.095 -4.368 1.00 0.63 C ATOM 1785 O ARG B 36 0.638 -6.234 -3.758 1.00 0.77 O ATOM 1786 CB ARG B 36 1.189 -7.101 -6.604 1.00 0.72 C ATOM 1787 CG ARG B 36 0.197 -8.256 -6.636 1.00 1.52 C ATOM 1788 CD ARG B 36 0.411 -9.139 -7.854 1.00 1.83 C ATOM 1789 NE ARG B 36 0.561 -10.547 -7.488 1.00 2.61 N ATOM 1790 CZ ARG B 36 1.372 -11.399 -8.112 1.00 3.31 C ATOM 1791 NH1 ARG B 36 2.114 -10.992 -9.135 1.00 3.37 N ATOM 1792 NH2 ARG B 36 1.438 -12.666 -7.715 1.00 4.33 N ATOM 0 H ARG B 36 1.382 -8.807 -4.412 1.00 0.63 H new ATOM 0 HA ARG B 36 3.145 -6.847 -5.757 1.00 0.65 H new ATOM 0 HB2 ARG B 36 0.634 -6.163 -6.595 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.775 -7.117 -7.523 1.00 0.72 H new ATOM 0 HG2 ARG B 36 0.302 -8.852 -5.730 1.00 1.52 H new ATOM 0 HG3 ARG B 36 -0.820 -7.864 -6.644 1.00 1.52 H new ATOM 0 HD2 ARG B 36 -0.433 -9.029 -8.535 1.00 1.83 H new ATOM 0 HD3 ARG B 36 1.299 -8.807 -8.391 1.00 1.83 H new ATOM 0 HE ARG B 36 0.010 -10.899 -6.705 1.00 2.61 H new ATOM 0 HH11 ARG B 36 2.065 -10.022 -9.447 1.00 3.37 H new ATOM 0 HH12 ARG B 36 2.733 -11.649 -9.609 1.00 3.37 H new ATOM 0 HH21 ARG B 36 0.867 -12.986 -6.932 1.00 4.33 H new ATOM 0 HH22 ARG B 36 2.059 -13.319 -8.193 1.00 4.33 H new ATOM 1806 N VAL B 37 2.515 -5.064 -4.181 1.00 0.53 N ATOM 1807 CA VAL B 37 2.216 -4.000 -3.228 1.00 0.56 C ATOM 1808 C VAL B 37 2.162 -2.649 -3.935 1.00 0.49 C ATOM 1809 O VAL B 37 3.033 -2.327 -4.744 1.00 0.49 O ATOM 1810 CB VAL B 37 3.267 -3.932 -2.091 1.00 0.71 C ATOM 1811 CG1 VAL B 37 2.784 -3.025 -0.967 1.00 0.92 C ATOM 1812 CG2 VAL B 37 3.581 -5.322 -1.554 1.00 1.36 C ATOM 0 H VAL B 37 3.395 -4.941 -4.681 1.00 0.53 H new ATOM 0 HA VAL B 37 1.245 -4.229 -2.789 1.00 0.56 H new ATOM 0 HB VAL B 37 4.184 -3.513 -2.506 1.00 0.71 H new ATOM 0 HG11 VAL B 37 3.536 -2.991 -0.179 1.00 0.92 H new ATOM 0 HG12 VAL B 37 2.620 -2.020 -1.356 1.00 0.92 H new ATOM 0 HG13 VAL B 37 1.850 -3.414 -0.561 1.00 0.92 H new ATOM 0 HG21 VAL B 37 4.321 -5.246 -0.757 1.00 1.36 H new ATOM 0 HG22 VAL B 37 2.670 -5.775 -1.161 1.00 1.36 H new ATOM 0 HG23 VAL B 37 3.977 -5.942 -2.358 1.00 1.36 H new ATOM 1822 N ASN B 38 1.161 -1.851 -3.594 1.00 0.54 N ATOM 1823 CA ASN B 38 1.045 -0.502 -4.130 1.00 0.54 C ATOM 1824 C ASN B 38 1.320 0.501 -3.019 1.00 0.52 C ATOM 1825 O ASN B 38 0.669 0.475 -1.975 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.350 -0.262 -4.718 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.523 1.157 -5.231 1.00 0.92 C ATOM 1828 OD1 ASN B 38 0.268 1.638 -6.042 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.561 1.833 -4.766 1.00 1.37 N ATOM 0 H ASN B 38 0.417 -2.114 -2.948 1.00 0.54 H new ATOM 0 HA ASN B 38 1.774 -0.378 -4.931 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.524 -0.964 -5.533 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.103 -0.465 -3.956 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.729 2.789 -5.079 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -2.194 1.398 -4.094 1.00 1.37 H new ATOM 1836 N VAL B 39 2.361 1.292 -3.189 1.00 0.48 N ATOM 1837 CA VAL B 39 2.796 2.196 -2.137 1.00 0.49 C ATOM 1838 C VAL B 39 2.403 3.632 -2.436 1.00 0.46 C ATOM 1839 O VAL B 39 2.444 4.074 -3.586 1.00 0.48 O ATOM 1840 CB VAL B 39 4.323 2.133 -1.921 1.00 0.54 C ATOM 1841 CG1 VAL B 39 4.648 2.169 -0.436 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.916 0.894 -2.575 1.00 0.54 C ATOM 0 H VAL B 39 2.921 1.329 -4.041 1.00 0.48 H new ATOM 0 HA VAL B 39 2.294 1.866 -1.228 1.00 0.49 H new ATOM 0 HB VAL B 39 4.772 3.006 -2.395 1.00 0.54 H new ATOM 0 HG11 VAL B 39 5.728 2.124 -0.299 1.00 0.77 H new ATOM 0 HG12 VAL B 39 4.265 3.093 -0.002 1.00 0.77 H new ATOM 0 HG13 VAL B 39 4.183 1.316 0.059 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.993 0.874 -2.408 1.00 0.54 H new ATOM 0 HG22 VAL B 39 4.465 0.002 -2.140 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.716 0.917 -3.646 1.00 0.54 H new ATOM 1852 N ASN B 40 2.079 4.366 -1.383 1.00 0.52 N ATOM 1853 CA ASN B 40 1.750 5.780 -1.498 1.00 0.57 C ATOM 1854 C ASN B 40 2.915 6.618 -0.990 1.00 0.56 C ATOM 1855 O ASN B 40 3.232 6.604 0.199 1.00 0.72 O ATOM 1856 CB ASN B 40 0.482 6.098 -0.703 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.559 6.834 -1.527 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -0.441 6.954 -2.746 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -1.595 7.322 -0.862 1.00 1.99 N ATOM 0 H ASN B 40 2.036 4.003 -0.431 1.00 0.52 H new ATOM 0 HA ASN B 40 1.567 6.019 -2.546 1.00 0.57 H new ATOM 0 HB2 ASN B 40 0.052 5.170 -0.327 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.745 6.702 0.166 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -2.333 7.819 -1.361 1.00 1.99 H new ATOM 0 HD22 ASN B 40 -1.655 7.201 0.149 1.00 1.99 H new ATOM 1866 N PHE B 41 3.595 7.279 -1.907 1.00 0.48 N ATOM 1867 CA PHE B 41 4.778 8.057 -1.579 1.00 0.55 C ATOM 1868 C PHE B 41 4.441 9.537 -1.548 1.00 0.60 C ATOM 1869 O PHE B 41 3.446 9.960 -2.128 1.00 0.76 O ATOM 1870 CB PHE B 41 5.871 7.841 -2.630 1.00 0.66 C ATOM 1871 CG PHE B 41 6.364 6.432 -2.768 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.716 5.680 -1.659 1.00 1.04 C ATOM 1873 CD2 PHE B 41 6.497 5.870 -4.025 1.00 1.12 C ATOM 1874 CE1 PHE B 41 7.192 4.393 -1.806 1.00 1.08 C ATOM 1875 CE2 PHE B 41 6.969 4.584 -4.177 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.319 3.844 -3.068 1.00 0.93 C ATOM 0 H PHE B 41 3.346 7.293 -2.896 1.00 0.48 H new ATOM 0 HA PHE B 41 5.132 7.730 -0.601 1.00 0.55 H new ATOM 0 HB2 PHE B 41 5.491 8.171 -3.597 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.718 8.482 -2.385 1.00 0.66 H new ATOM 0 HD1 PHE B 41 6.617 6.105 -0.671 1.00 1.04 H new ATOM 0 HD2 PHE B 41 6.228 6.446 -4.898 1.00 1.12 H new ATOM 0 HE1 PHE B 41 7.465 3.815 -0.935 1.00 1.08 H new ATOM 0 HE2 PHE B 41 7.065 4.156 -5.164 1.00 1.26 H new ATOM 0 HZ PHE B 41 7.692 2.837 -3.185 1.00 0.93 H new ATOM 1886 N ASP B 42 5.338 10.332 -0.986 1.00 0.56 N ATOM 1887 CA ASP B 42 5.205 11.780 -1.044 1.00 0.59 C ATOM 1888 C ASP B 42 5.490 12.258 -2.461 1.00 0.54 C ATOM 1889 O ASP B 42 6.068 11.516 -3.262 1.00 0.51 O ATOM 1890 CB ASP B 42 6.177 12.455 -0.075 1.00 0.68 C ATOM 1891 CG ASP B 42 5.710 13.831 0.356 1.00 1.22 C ATOM 1892 OD1 ASP B 42 6.057 14.821 -0.321 1.00 1.66 O ATOM 1893 OD2 ASP B 42 4.993 13.931 1.374 1.00 2.03 O ATOM 0 H ASP B 42 6.163 10.001 -0.486 1.00 0.56 H new ATOM 0 HA ASP B 42 4.188 12.047 -0.758 1.00 0.59 H new ATOM 0 HB2 ASP B 42 6.302 11.825 0.806 1.00 0.68 H new ATOM 0 HB3 ASP B 42 7.156 12.539 -0.548 1.00 0.68 H new ATOM 1898 N GLU B 43 5.151 13.504 -2.745 1.00 0.63 N ATOM 1899 CA GLU B 43 5.406 14.094 -4.052 1.00 0.67 C ATOM 1900 C GLU B 43 6.896 14.058 -4.369 1.00 0.56 C ATOM 1901 O GLU B 43 7.310 13.646 -5.452 1.00 0.60 O ATOM 1902 CB GLU B 43 4.897 15.534 -4.077 1.00 0.87 C ATOM 1903 CG GLU B 43 4.625 16.064 -5.473 1.00 1.09 C ATOM 1904 CD GLU B 43 5.696 17.026 -5.945 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.822 18.122 -5.360 1.00 1.73 O ATOM 1906 OE2 GLU B 43 6.412 16.694 -6.913 1.00 1.63 O ATOM 0 H GLU B 43 4.695 14.132 -2.084 1.00 0.63 H new ATOM 0 HA GLU B 43 4.877 13.515 -4.810 1.00 0.67 H new ATOM 0 HB2 GLU B 43 3.980 15.596 -3.490 1.00 0.87 H new ATOM 0 HB3 GLU B 43 5.631 16.177 -3.591 1.00 0.87 H new ATOM 0 HG2 GLU B 43 4.559 15.228 -6.169 1.00 1.09 H new ATOM 0 HG3 GLU B 43 3.658 16.567 -5.486 1.00 1.09 H new ATOM 1913 N GLU B 44 7.694 14.428 -3.377 1.00 0.52 N ATOM 1914 CA GLU B 44 9.144 14.429 -3.509 1.00 0.54 C ATOM 1915 C GLU B 44 9.688 13.025 -3.729 1.00 0.53 C ATOM 1916 O GLU B 44 10.732 12.855 -4.343 1.00 0.57 O ATOM 1917 CB GLU B 44 9.783 15.016 -2.254 1.00 0.62 C ATOM 1918 CG GLU B 44 10.663 16.221 -2.523 1.00 0.91 C ATOM 1919 CD GLU B 44 10.139 17.476 -1.863 1.00 1.74 C ATOM 1920 OE1 GLU B 44 9.062 17.961 -2.273 1.00 2.36 O ATOM 1921 OE2 GLU B 44 10.797 17.987 -0.933 1.00 2.52 O ATOM 0 H GLU B 44 7.357 14.734 -2.464 1.00 0.52 H new ATOM 0 HA GLU B 44 9.392 15.038 -4.378 1.00 0.54 H new ATOM 0 HB2 GLU B 44 8.996 15.301 -1.556 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.378 14.245 -1.766 1.00 0.62 H new ATOM 0 HG2 GLU B 44 11.672 16.018 -2.163 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.735 16.382 -3.599 1.00 0.91 H new ATOM 1928 N LYS B 45 9.030 12.036 -3.139 1.00 0.52 N ATOM 1929 CA LYS B 45 9.533 10.667 -3.155 1.00 0.56 C ATOM 1930 C LYS B 45 9.569 10.079 -4.562 1.00 0.55 C ATOM 1931 O LYS B 45 10.386 9.209 -4.850 1.00 0.59 O ATOM 1932 CB LYS B 45 8.692 9.780 -2.235 1.00 0.61 C ATOM 1933 CG LYS B 45 9.293 9.608 -0.852 1.00 0.75 C ATOM 1934 CD LYS B 45 8.794 8.337 -0.186 1.00 0.96 C ATOM 1935 CE LYS B 45 9.483 8.104 1.147 1.00 1.30 C ATOM 1936 NZ LYS B 45 8.518 8.075 2.275 1.00 1.74 N ATOM 0 H LYS B 45 8.147 12.155 -2.643 1.00 0.52 H new ATOM 0 HA LYS B 45 10.559 10.698 -2.790 1.00 0.56 H new ATOM 0 HB2 LYS B 45 7.695 10.210 -2.139 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.573 8.800 -2.696 1.00 0.61 H new ATOM 0 HG2 LYS B 45 10.380 9.579 -0.927 1.00 0.75 H new ATOM 0 HG3 LYS B 45 9.039 10.469 -0.233 1.00 0.75 H new ATOM 0 HD2 LYS B 45 7.717 8.403 -0.034 1.00 0.96 H new ATOM 0 HD3 LYS B 45 8.972 7.486 -0.843 1.00 0.96 H new ATOM 0 HE2 LYS B 45 10.029 7.161 1.113 1.00 1.30 H new ATOM 0 HE3 LYS B 45 10.217 8.891 1.318 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 9.033 8.153 3.175 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 7.856 8.872 2.186 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 7.988 7.180 2.256 1.00 1.74 H new ATOM 1950 N HIS B 46 8.735 10.589 -5.453 1.00 0.52 N ATOM 1951 CA HIS B 46 8.735 10.106 -6.830 1.00 0.55 C ATOM 1952 C HIS B 46 9.840 10.779 -7.634 1.00 0.56 C ATOM 1953 O HIS B 46 10.605 10.114 -8.329 1.00 0.58 O ATOM 1954 CB HIS B 46 7.381 10.337 -7.496 1.00 0.59 C ATOM 1955 CG HIS B 46 7.014 9.278 -8.494 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.297 9.541 -9.641 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.276 7.947 -8.514 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.132 8.421 -10.320 1.00 1.07 C ATOM 1959 NE2 HIS B 46 6.717 7.438 -9.660 1.00 0.99 N ATOM 0 H HIS B 46 8.058 11.326 -5.256 1.00 0.52 H new ATOM 0 HA HIS B 46 8.923 9.033 -6.806 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.610 10.382 -6.727 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.391 11.306 -7.994 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.823 7.391 -7.767 1.00 0.81 H new ATOM 0 HE1 HIS B 46 5.606 8.325 -11.259 1.00 1.07 H new ATOM 0 HE2 HIS B 46 6.748 6.462 -9.953 1.00 0.99 H new ATOM 1968 N THR B 47 9.955 12.089 -7.488 1.00 0.59 N ATOM 1969 CA THR B 47 10.996 12.847 -8.162 1.00 0.64 C ATOM 1970 C THR B 47 12.374 12.472 -7.620 1.00 0.62 C ATOM 1971 O THR B 47 13.343 12.344 -8.374 1.00 0.65 O ATOM 1972 CB THR B 47 10.744 14.351 -7.985 1.00 0.71 C ATOM 1973 OG1 THR B 47 9.414 14.545 -7.480 1.00 0.85 O ATOM 1974 CG2 THR B 47 10.900 15.089 -9.303 1.00 0.79 C ATOM 0 H THR B 47 9.336 12.652 -6.905 1.00 0.59 H new ATOM 0 HA THR B 47 10.971 12.605 -9.225 1.00 0.64 H new ATOM 0 HB THR B 47 11.477 14.749 -7.283 1.00 0.71 H new ATOM 0 HG1 THR B 47 9.437 14.571 -6.501 1.00 0.85 H new ATOM 0 HG21 THR B 47 10.716 16.152 -9.149 1.00 0.79 H new ATOM 0 HG22 THR B 47 11.912 14.947 -9.682 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.184 14.698 -10.026 1.00 0.79 H new ATOM 1982 N ARG B 48 12.414 12.166 -6.328 1.00 0.59 N ATOM 1983 CA ARG B 48 13.622 11.673 -5.682 1.00 0.61 C ATOM 1984 C ARG B 48 13.989 10.307 -6.235 1.00 0.54 C ATOM 1985 O ARG B 48 15.151 10.033 -6.522 1.00 0.56 O ATOM 1986 CB ARG B 48 13.414 11.569 -4.170 1.00 0.66 C ATOM 1987 CG ARG B 48 14.394 12.390 -3.357 1.00 0.93 C ATOM 1988 CD ARG B 48 13.731 13.635 -2.798 1.00 1.46 C ATOM 1989 NE ARG B 48 14.300 14.026 -1.510 1.00 1.67 N ATOM 1990 CZ ARG B 48 15.455 14.681 -1.376 1.00 1.70 C ATOM 1991 NH1 ARG B 48 16.155 15.030 -2.450 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.907 14.994 -0.164 1.00 2.26 N ATOM 0 H ARG B 48 11.613 12.253 -5.702 1.00 0.59 H new ATOM 0 HA ARG B 48 14.431 12.375 -5.884 1.00 0.61 H new ATOM 0 HB2 ARG B 48 12.400 11.889 -3.930 1.00 0.66 H new ATOM 0 HB3 ARG B 48 13.497 10.524 -3.873 1.00 0.66 H new ATOM 0 HG2 ARG B 48 14.789 11.786 -2.540 1.00 0.93 H new ATOM 0 HG3 ARG B 48 15.241 12.674 -3.981 1.00 0.93 H new ATOM 0 HD2 ARG B 48 13.842 14.455 -3.508 1.00 1.46 H new ATOM 0 HD3 ARG B 48 12.662 13.456 -2.683 1.00 1.46 H new ATOM 0 HE ARG B 48 13.784 13.784 -0.664 1.00 1.67 H new ATOM 0 HH11 ARG B 48 15.810 14.797 -3.381 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.037 15.531 -2.343 1.00 1.82 H new ATOM 0 HH21 ARG B 48 15.371 14.733 0.663 1.00 2.26 H new ATOM 0 HH22 ARG B 48 16.790 15.495 -0.063 1.00 2.26 H new ATOM 2006 N PHE B 49 12.979 9.461 -6.403 1.00 0.49 N ATOM 2007 CA PHE B 49 13.179 8.115 -6.924 1.00 0.45 C ATOM 2008 C PHE B 49 13.746 8.160 -8.335 1.00 0.47 C ATOM 2009 O PHE B 49 14.615 7.361 -8.685 1.00 0.48 O ATOM 2010 CB PHE B 49 11.866 7.332 -6.913 1.00 0.48 C ATOM 2011 CG PHE B 49 12.018 5.934 -6.390 1.00 0.38 C ATOM 2012 CD1 PHE B 49 13.209 5.527 -5.814 1.00 0.83 C ATOM 2013 CD2 PHE B 49 10.974 5.028 -6.477 1.00 1.06 C ATOM 2014 CE1 PHE B 49 13.361 4.244 -5.337 1.00 0.87 C ATOM 2015 CE2 PHE B 49 11.120 3.740 -6.001 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.316 3.349 -5.430 1.00 0.85 C ATOM 0 H PHE B 49 12.008 9.686 -6.184 1.00 0.49 H new ATOM 0 HA PHE B 49 13.895 7.608 -6.277 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.137 7.865 -6.302 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.465 7.293 -7.926 1.00 0.48 H new ATOM 0 HD1 PHE B 49 14.030 6.225 -5.738 1.00 0.83 H new ATOM 0 HD2 PHE B 49 10.037 5.332 -6.921 1.00 1.06 H new ATOM 0 HE1 PHE B 49 14.296 3.940 -4.891 1.00 0.87 H new ATOM 0 HE2 PHE B 49 10.301 3.040 -6.075 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.432 2.342 -5.056 1.00 0.85 H new ATOM 2026 N LYS B 50 13.290 9.127 -9.122 1.00 0.50 N ATOM 2027 CA LYS B 50 13.798 9.317 -10.474 1.00 0.54 C ATOM 2028 C LYS B 50 15.284 9.657 -10.435 1.00 0.53 C ATOM 2029 O LYS B 50 16.088 9.063 -11.155 1.00 0.52 O ATOM 2030 CB LYS B 50 13.018 10.424 -11.184 1.00 0.63 C ATOM 2031 CG LYS B 50 12.008 9.903 -12.191 1.00 0.91 C ATOM 2032 CD LYS B 50 12.628 9.706 -13.564 1.00 1.54 C ATOM 2033 CE LYS B 50 12.893 8.237 -13.853 1.00 2.02 C ATOM 2034 NZ LYS B 50 14.074 8.053 -14.735 1.00 2.55 N ATOM 0 H LYS B 50 12.568 9.793 -8.846 1.00 0.50 H new ATOM 0 HA LYS B 50 13.667 8.389 -11.030 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.499 11.027 -10.439 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.721 11.083 -11.694 1.00 0.63 H new ATOM 0 HG2 LYS B 50 11.599 8.956 -11.838 1.00 0.91 H new ATOM 0 HG3 LYS B 50 11.175 10.602 -12.265 1.00 0.91 H new ATOM 0 HD2 LYS B 50 11.963 10.113 -14.326 1.00 1.54 H new ATOM 0 HD3 LYS B 50 13.562 10.264 -13.625 1.00 1.54 H new ATOM 0 HE2 LYS B 50 13.053 7.705 -12.915 1.00 2.02 H new ATOM 0 HE3 LYS B 50 12.015 7.795 -14.324 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 14.223 7.039 -14.909 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 13.911 8.539 -15.640 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 14.917 8.452 -14.275 1.00 2.55 H new ATOM 2048 N ALA B 51 15.651 10.545 -9.518 1.00 0.56 N ATOM 2049 CA ALA B 51 17.046 10.915 -9.319 1.00 0.61 C ATOM 2050 C ALA B 51 17.861 9.716 -8.841 1.00 0.57 C ATOM 2051 O ALA B 51 18.967 9.478 -9.321 1.00 0.58 O ATOM 2052 CB ALA B 51 17.155 12.058 -8.323 1.00 0.71 C ATOM 0 H ALA B 51 14.998 11.024 -8.898 1.00 0.56 H new ATOM 0 HA ALA B 51 17.451 11.246 -10.276 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.204 12.322 -8.186 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.609 12.923 -8.700 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.730 11.750 -7.368 1.00 0.71 H new ATOM 2058 N ALA B 52 17.295 8.956 -7.909 1.00 0.55 N ATOM 2059 CA ALA B 52 17.956 7.773 -7.367 1.00 0.59 C ATOM 2060 C ALA B 52 18.225 6.742 -8.462 1.00 0.51 C ATOM 2061 O ALA B 52 19.301 6.141 -8.515 1.00 0.54 O ATOM 2062 CB ALA B 52 17.111 7.163 -6.262 1.00 0.67 C ATOM 0 H ALA B 52 16.374 9.140 -7.511 1.00 0.55 H new ATOM 0 HA ALA B 52 18.916 8.079 -6.952 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.613 6.281 -5.865 1.00 0.67 H new ATOM 0 HB2 ALA B 52 16.974 7.893 -5.464 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.139 6.877 -6.663 1.00 0.67 H new ATOM 2068 N CYS B 53 17.268 6.589 -9.368 1.00 0.48 N ATOM 2069 CA CYS B 53 17.422 5.683 -10.497 1.00 0.53 C ATOM 2070 C CYS B 53 18.560 6.143 -11.401 1.00 0.50 C ATOM 2071 O CYS B 53 19.330 5.332 -11.912 1.00 0.56 O ATOM 2072 CB CYS B 53 16.118 5.597 -11.291 1.00 0.68 C ATOM 2073 SG CYS B 53 14.726 4.929 -10.351 1.00 1.15 S ATOM 0 H CYS B 53 16.375 7.082 -9.342 1.00 0.48 H new ATOM 0 HA CYS B 53 17.664 4.692 -10.113 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.857 6.593 -11.649 1.00 0.68 H new ATOM 0 HB3 CYS B 53 16.281 4.974 -12.171 1.00 0.68 H new ATOM 0 HG CYS B 53 14.283 5.834 -9.530 1.00 1.15 H new ATOM 2079 N ALA B 54 18.701 7.454 -11.541 1.00 0.51 N ATOM 2080 CA ALA B 54 19.777 8.026 -12.335 1.00 0.59 C ATOM 2081 C ALA B 54 21.113 7.918 -11.601 1.00 0.59 C ATOM 2082 O ALA B 54 22.175 7.873 -12.221 1.00 0.70 O ATOM 2083 CB ALA B 54 19.472 9.478 -12.672 1.00 0.69 C ATOM 0 H ALA B 54 18.081 8.142 -11.113 1.00 0.51 H new ATOM 0 HA ALA B 54 19.853 7.460 -13.264 1.00 0.59 H new ATOM 0 HB1 ALA B 54 20.286 9.892 -13.266 1.00 0.69 H new ATOM 0 HB2 ALA B 54 18.544 9.532 -13.241 1.00 0.69 H new ATOM 0 HB3 ALA B 54 19.367 10.051 -11.751 1.00 0.69 H new ATOM 2089 N ARG B 55 21.048 7.919 -10.275 1.00 0.55 N ATOM 2090 CA ARG B 55 22.242 7.866 -9.442 1.00 0.64 C ATOM 2091 C ARG B 55 22.894 6.489 -9.494 1.00 0.59 C ATOM 2092 O ARG B 55 24.118 6.378 -9.523 1.00 0.76 O ATOM 2093 CB ARG B 55 21.893 8.213 -7.992 1.00 0.72 C ATOM 2094 CG ARG B 55 21.778 9.704 -7.730 1.00 1.03 C ATOM 2095 CD ARG B 55 23.098 10.286 -7.253 1.00 1.37 C ATOM 2096 NE ARG B 55 23.375 11.584 -7.866 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.135 12.758 -7.282 1.00 2.64 C ATOM 2098 NH1 ARG B 55 22.565 12.805 -6.084 1.00 2.89 N ATOM 2099 NH2 ARG B 55 23.456 13.885 -7.903 1.00 3.60 N ATOM 0 H ARG B 55 20.174 7.956 -9.751 1.00 0.55 H new ATOM 0 HA ARG B 55 22.950 8.597 -9.832 1.00 0.64 H new ATOM 0 HB2 ARG B 55 20.950 7.734 -7.730 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.656 7.796 -7.335 1.00 0.72 H new ATOM 0 HG2 ARG B 55 21.463 10.212 -8.641 1.00 1.03 H new ATOM 0 HG3 ARG B 55 21.007 9.885 -6.981 1.00 1.03 H new ATOM 0 HD2 ARG B 55 23.076 10.394 -6.169 1.00 1.37 H new ATOM 0 HD3 ARG B 55 23.906 9.594 -7.488 1.00 1.37 H new ATOM 0 HE ARG B 55 23.779 11.592 -8.803 1.00 1.97 H new ATOM 0 HH11 ARG B 55 22.309 11.941 -5.607 1.00 2.89 H new ATOM 0 HH12 ARG B 55 22.383 13.705 -5.641 1.00 2.89 H new ATOM 0 HH21 ARG B 55 23.886 13.853 -8.827 1.00 3.60 H new ATOM 0 HH22 ARG B 55 23.272 14.783 -7.456 1.00 3.60 H new ATOM 2113 N LYS B 56 22.078 5.446 -9.403 1.00 0.47 N ATOM 2114 CA LYS B 56 22.595 4.082 -9.336 1.00 0.52 C ATOM 2115 C LYS B 56 22.517 3.384 -10.689 1.00 0.51 C ATOM 2116 O LYS B 56 23.041 2.278 -10.858 1.00 0.60 O ATOM 2117 CB LYS B 56 21.818 3.278 -8.294 1.00 0.61 C ATOM 2118 CG LYS B 56 21.796 3.926 -6.921 1.00 0.74 C ATOM 2119 CD LYS B 56 22.793 3.271 -5.982 1.00 0.91 C ATOM 2120 CE LYS B 56 22.497 3.621 -4.533 1.00 1.62 C ATOM 2121 NZ LYS B 56 23.571 3.163 -3.617 1.00 1.85 N ATOM 0 H LYS B 56 21.061 5.516 -9.374 1.00 0.47 H new ATOM 0 HA LYS B 56 23.644 4.139 -9.047 1.00 0.52 H new ATOM 0 HB2 LYS B 56 20.793 3.144 -8.640 1.00 0.61 H new ATOM 0 HB3 LYS B 56 22.259 2.284 -8.211 1.00 0.61 H new ATOM 0 HG2 LYS B 56 22.025 4.987 -7.015 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.794 3.853 -6.499 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.761 2.189 -6.111 1.00 0.91 H new ATOM 0 HD3 LYS B 56 23.803 3.593 -6.237 1.00 0.91 H new ATOM 0 HE2 LYS B 56 22.377 4.700 -4.439 1.00 1.62 H new ATOM 0 HE3 LYS B 56 21.551 3.168 -4.237 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 23.682 3.848 -2.842 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 23.319 2.234 -3.224 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.466 3.086 -4.142 1.00 1.85 H new ATOM 2135 N GLY B 57 21.812 3.998 -11.631 1.00 0.46 N ATOM 2136 CA GLY B 57 21.611 3.380 -12.927 1.00 0.51 C ATOM 2137 C GLY B 57 20.643 2.222 -12.839 1.00 0.59 C ATOM 2138 O GLY B 57 20.859 1.169 -13.445 1.00 0.75 O ATOM 0 H GLY B 57 21.376 4.913 -11.520 1.00 0.46 H new ATOM 0 HA2 GLY B 57 21.232 4.121 -13.631 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.566 3.029 -13.317 1.00 0.51 H new ATOM 2142 N THR B 58 19.638 2.381 -11.996 1.00 0.63 N ATOM 2143 CA THR B 58 18.700 1.314 -11.698 1.00 0.77 C ATOM 2144 C THR B 58 17.327 1.577 -12.308 1.00 0.62 C ATOM 2145 O THR B 58 16.870 2.721 -12.344 1.00 0.57 O ATOM 2146 CB THR B 58 18.542 1.176 -10.176 1.00 1.02 C ATOM 2147 OG1 THR B 58 18.926 2.406 -9.543 1.00 1.92 O ATOM 2148 CG2 THR B 58 19.396 0.042 -9.638 1.00 0.92 C ATOM 0 H THR B 58 19.450 3.252 -11.500 1.00 0.63 H new ATOM 0 HA THR B 58 19.100 0.397 -12.130 1.00 0.77 H new ATOM 0 HB THR B 58 17.498 0.953 -9.957 1.00 1.02 H new ATOM 0 HG1 THR B 58 18.916 2.290 -8.570 1.00 1.92 H new ATOM 0 HG21 THR B 58 19.264 -0.032 -8.559 1.00 0.92 H new ATOM 0 HG22 THR B 58 19.093 -0.895 -10.106 1.00 0.92 H new ATOM 0 HG23 THR B 58 20.444 0.238 -9.863 1.00 0.92 H new ATOM 2156 N SER B 59 16.639 0.513 -12.710 1.00 0.66 N ATOM 2157 CA SER B 59 15.271 0.628 -13.191 1.00 0.66 C ATOM 2158 C SER B 59 14.344 0.959 -12.025 1.00 0.62 C ATOM 2159 O SER B 59 14.681 0.684 -10.871 1.00 0.66 O ATOM 2160 CB SER B 59 14.834 -0.676 -13.860 1.00 0.78 C ATOM 2161 OG SER B 59 15.944 -1.528 -14.085 1.00 0.87 O ATOM 0 H SER B 59 17.008 -0.438 -12.711 1.00 0.66 H new ATOM 0 HA SER B 59 15.218 1.429 -13.928 1.00 0.66 H new ATOM 0 HB2 SER B 59 14.103 -1.184 -13.232 1.00 0.78 H new ATOM 0 HB3 SER B 59 14.342 -0.456 -14.807 1.00 0.78 H new ATOM 0 HG SER B 59 15.640 -2.356 -14.512 1.00 0.87 H new ATOM 2167 N ILE B 60 13.202 1.579 -12.320 1.00 0.66 N ATOM 2168 CA ILE B 60 12.263 2.010 -11.287 1.00 0.73 C ATOM 2169 C ILE B 60 11.739 0.827 -10.468 1.00 0.76 C ATOM 2170 O ILE B 60 11.310 0.991 -9.330 1.00 0.85 O ATOM 2171 CB ILE B 60 11.080 2.807 -11.891 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.404 3.664 -10.816 1.00 0.97 C ATOM 2173 CG2 ILE B 60 10.067 1.877 -12.546 1.00 1.00 C ATOM 2174 CD1 ILE B 60 10.982 5.057 -10.693 1.00 0.91 C ATOM 0 H ILE B 60 12.904 1.795 -13.272 1.00 0.66 H new ATOM 0 HA ILE B 60 12.815 2.669 -10.617 1.00 0.73 H new ATOM 0 HB ILE B 60 11.479 3.466 -12.662 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.340 3.741 -11.041 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.490 3.159 -9.854 1.00 0.97 H new ATOM 0 HG21 ILE B 60 9.248 2.465 -12.961 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.552 1.316 -13.345 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.675 1.184 -11.802 1.00 1.00 H new ATOM 0 HD11 ILE B 60 10.452 5.603 -9.912 1.00 0.91 H new ATOM 0 HD12 ILE B 60 12.039 4.991 -10.436 1.00 0.91 H new ATOM 0 HD13 ILE B 60 10.871 5.582 -11.642 1.00 0.91 H new ATOM 2186 N THR B 61 11.807 -0.366 -11.037 1.00 0.79 N ATOM 2187 CA THR B 61 11.381 -1.565 -10.343 1.00 0.85 C ATOM 2188 C THR B 61 12.534 -2.152 -9.529 1.00 0.77 C ATOM 2189 O THR B 61 12.342 -2.668 -8.424 1.00 0.75 O ATOM 2190 CB THR B 61 10.878 -2.610 -11.351 1.00 1.01 C ATOM 2191 OG1 THR B 61 10.945 -2.062 -12.678 1.00 1.12 O ATOM 2192 CG2 THR B 61 9.447 -3.019 -11.034 1.00 1.14 C ATOM 0 H THR B 61 12.155 -0.527 -11.982 1.00 0.79 H new ATOM 0 HA THR B 61 10.570 -1.299 -9.665 1.00 0.85 H new ATOM 0 HB THR B 61 11.511 -3.495 -11.285 1.00 1.01 H new ATOM 0 HG1 THR B 61 10.626 -2.727 -13.323 1.00 1.12 H new ATOM 0 HG21 THR B 61 9.111 -3.759 -11.760 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.404 -3.447 -10.033 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.799 -2.144 -11.082 1.00 1.14 H new ATOM 2200 N ASP B 62 13.740 -2.036 -10.076 1.00 0.74 N ATOM 2201 CA ASP B 62 14.943 -2.565 -9.437 1.00 0.73 C ATOM 2202 C ASP B 62 15.260 -1.827 -8.141 1.00 0.62 C ATOM 2203 O ASP B 62 15.693 -2.439 -7.165 1.00 0.61 O ATOM 2204 CB ASP B 62 16.136 -2.470 -10.392 1.00 0.82 C ATOM 2205 CG ASP B 62 17.274 -3.401 -10.017 1.00 1.16 C ATOM 2206 OD1 ASP B 62 17.078 -4.290 -9.162 1.00 1.68 O ATOM 2207 OD2 ASP B 62 18.376 -3.253 -10.591 1.00 1.81 O ATOM 0 H ASP B 62 13.912 -1.576 -10.970 1.00 0.74 H new ATOM 0 HA ASP B 62 14.754 -3.611 -9.194 1.00 0.73 H new ATOM 0 HB2 ASP B 62 15.803 -2.702 -11.404 1.00 0.82 H new ATOM 0 HB3 ASP B 62 16.503 -1.444 -10.404 1.00 0.82 H new ATOM 2212 N VAL B 63 15.045 -0.511 -8.128 1.00 0.60 N ATOM 2213 CA VAL B 63 15.319 0.285 -6.930 1.00 0.57 C ATOM 2214 C VAL B 63 14.462 -0.175 -5.762 1.00 0.56 C ATOM 2215 O VAL B 63 14.958 -0.334 -4.650 1.00 0.59 O ATOM 2216 CB VAL B 63 15.075 1.794 -7.127 1.00 0.62 C ATOM 2217 CG1 VAL B 63 16.362 2.514 -7.463 1.00 0.81 C ATOM 2218 CG2 VAL B 63 14.021 2.056 -8.186 1.00 1.01 C ATOM 0 H VAL B 63 14.687 0.021 -8.921 1.00 0.60 H new ATOM 0 HA VAL B 63 16.378 0.130 -6.723 1.00 0.57 H new ATOM 0 HB VAL B 63 14.700 2.188 -6.182 1.00 0.62 H new ATOM 0 HG11 VAL B 63 16.160 3.577 -7.597 1.00 0.81 H new ATOM 0 HG12 VAL B 63 17.077 2.380 -6.651 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.778 2.105 -8.384 1.00 0.81 H new ATOM 0 HG21 VAL B 63 13.876 3.131 -8.297 1.00 1.01 H new ATOM 0 HG22 VAL B 63 14.347 1.634 -9.136 1.00 1.01 H new ATOM 0 HG23 VAL B 63 13.081 1.592 -7.887 1.00 1.01 H new ATOM 2228 N VAL B 64 13.179 -0.398 -6.018 1.00 0.55 N ATOM 2229 CA VAL B 64 12.265 -0.835 -4.970 1.00 0.56 C ATOM 2230 C VAL B 64 12.686 -2.192 -4.424 1.00 0.55 C ATOM 2231 O VAL B 64 12.800 -2.375 -3.214 1.00 0.57 O ATOM 2232 CB VAL B 64 10.806 -0.912 -5.460 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.843 -0.780 -4.290 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.528 0.162 -6.495 1.00 0.67 C ATOM 0 H VAL B 64 12.750 -0.284 -6.936 1.00 0.55 H new ATOM 0 HA VAL B 64 12.315 -0.087 -4.179 1.00 0.56 H new ATOM 0 HB VAL B 64 10.656 -1.885 -5.927 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.817 -0.837 -4.655 1.00 0.73 H new ATOM 0 HG12 VAL B 64 10.021 -1.587 -3.580 1.00 0.73 H new ATOM 0 HG13 VAL B 64 10.000 0.179 -3.796 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.492 0.088 -6.827 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.699 1.144 -6.055 1.00 0.67 H new ATOM 0 HG23 VAL B 64 11.193 0.026 -7.348 1.00 0.67 H new ATOM 2244 N ASN B 65 13.039 -3.100 -5.322 1.00 0.55 N ATOM 2245 CA ASN B 65 13.557 -4.403 -4.918 1.00 0.56 C ATOM 2246 C ASN B 65 14.837 -4.234 -4.092 1.00 0.56 C ATOM 2247 O ASN B 65 15.077 -4.969 -3.131 1.00 0.56 O ATOM 2248 CB ASN B 65 13.820 -5.268 -6.161 1.00 0.58 C ATOM 2249 CG ASN B 65 14.981 -6.236 -5.986 1.00 0.77 C ATOM 2250 OD1 ASN B 65 14.876 -7.233 -5.269 1.00 0.86 O ATOM 2251 ND2 ASN B 65 16.090 -5.955 -6.656 1.00 1.46 N ATOM 0 H ASN B 65 12.978 -2.962 -6.331 1.00 0.55 H new ATOM 0 HA ASN B 65 12.816 -4.904 -4.296 1.00 0.56 H new ATOM 0 HB2 ASN B 65 12.918 -5.832 -6.400 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.024 -4.617 -7.011 1.00 0.58 H new ATOM 0 HD21 ASN B 65 16.897 -6.575 -6.589 1.00 1.46 H new ATOM 0 HD22 ASN B 65 16.136 -5.119 -7.239 1.00 1.46 H new ATOM 2258 N GLN B 66 15.621 -3.221 -4.448 1.00 0.58 N ATOM 2259 CA GLN B 66 16.864 -2.919 -3.753 1.00 0.60 C ATOM 2260 C GLN B 66 16.614 -2.456 -2.321 1.00 0.58 C ATOM 2261 O GLN B 66 17.220 -2.976 -1.386 1.00 0.61 O ATOM 2262 CB GLN B 66 17.642 -1.844 -4.509 1.00 0.65 C ATOM 2263 CG GLN B 66 19.106 -2.189 -4.711 1.00 0.84 C ATOM 2264 CD GLN B 66 19.556 -2.016 -6.146 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.703 -1.664 -6.408 1.00 2.01 O ATOM 2266 NE2 GLN B 66 18.656 -2.250 -7.089 1.00 1.70 N ATOM 0 H GLN B 66 15.413 -2.591 -5.222 1.00 0.58 H new ATOM 0 HA GLN B 66 17.448 -3.838 -3.714 1.00 0.60 H new ATOM 0 HB2 GLN B 66 17.176 -1.685 -5.482 1.00 0.65 H new ATOM 0 HB3 GLN B 66 17.570 -0.903 -3.964 1.00 0.65 H new ATOM 0 HG2 GLN B 66 19.716 -1.558 -4.065 1.00 0.84 H new ATOM 0 HG3 GLN B 66 19.278 -3.220 -4.403 1.00 0.84 H new ATOM 0 HE21 GLN B 66 17.713 -2.541 -6.833 1.00 1.70 H new ATOM 0 HE22 GLN B 66 18.906 -2.139 -8.072 1.00 1.70 H new ATOM 2275 N LEU B 67 15.736 -1.467 -2.147 1.00 0.55 N ATOM 2276 CA LEU B 67 15.469 -0.937 -0.811 1.00 0.55 C ATOM 2277 C LEU B 67 14.823 -1.995 0.075 1.00 0.50 C ATOM 2278 O LEU B 67 15.103 -2.058 1.270 1.00 0.50 O ATOM 2279 CB LEU B 67 14.596 0.324 -0.835 1.00 0.57 C ATOM 2280 CG LEU B 67 13.747 0.541 -2.079 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.282 0.310 -1.762 1.00 0.97 C ATOM 2282 CD2 LEU B 67 13.962 1.944 -2.623 1.00 0.67 C ATOM 0 H LEU B 67 15.207 -1.025 -2.899 1.00 0.55 H new ATOM 0 HA LEU B 67 16.437 -0.657 -0.395 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.933 0.296 0.030 1.00 0.57 H new ATOM 0 HB3 LEU B 67 15.245 1.190 -0.710 1.00 0.57 H new ATOM 0 HG LEU B 67 14.051 -0.176 -2.842 1.00 0.64 H new ATOM 0 HD11 LEU B 67 11.686 0.469 -2.661 1.00 0.97 H new ATOM 0 HD12 LEU B 67 12.143 -0.712 -1.410 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.963 1.007 -0.987 1.00 0.97 H new ATOM 0 HD21 LEU B 67 13.349 2.087 -3.513 1.00 0.67 H new ATOM 0 HD22 LEU B 67 13.679 2.675 -1.866 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.013 2.077 -2.881 1.00 0.67 H new ATOM 2294 N VAL B 68 14.019 -2.871 -0.526 1.00 0.48 N ATOM 2295 CA VAL B 68 13.415 -3.972 0.215 1.00 0.45 C ATOM 2296 C VAL B 68 14.499 -4.899 0.742 1.00 0.42 C ATOM 2297 O VAL B 68 14.491 -5.287 1.909 1.00 0.40 O ATOM 2298 CB VAL B 68 12.433 -4.787 -0.653 1.00 0.46 C ATOM 2299 CG1 VAL B 68 11.925 -6.000 0.106 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.274 -3.923 -1.103 1.00 1.07 C ATOM 0 H VAL B 68 13.774 -2.839 -1.516 1.00 0.48 H new ATOM 0 HA VAL B 68 12.855 -3.535 1.042 1.00 0.45 H new ATOM 0 HB VAL B 68 12.969 -5.133 -1.537 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.234 -6.560 -0.524 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.766 -6.637 0.378 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.409 -5.674 1.009 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.593 -4.516 -1.714 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.742 -3.544 -0.230 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.651 -3.085 -1.690 1.00 1.07 H new ATOM 2310 N ASP B 69 15.475 -5.187 -0.109 1.00 0.47 N ATOM 2311 CA ASP B 69 16.612 -6.010 0.274 1.00 0.49 C ATOM 2312 C ASP B 69 17.420 -5.328 1.368 1.00 0.48 C ATOM 2313 O ASP B 69 17.752 -5.942 2.384 1.00 0.49 O ATOM 2314 CB ASP B 69 17.507 -6.277 -0.933 1.00 0.60 C ATOM 2315 CG ASP B 69 18.541 -7.344 -0.651 1.00 0.84 C ATOM 2316 OD1 ASP B 69 18.224 -8.540 -0.784 1.00 1.09 O ATOM 2317 OD2 ASP B 69 19.688 -6.988 -0.306 1.00 1.46 O ATOM 0 H ASP B 69 15.501 -4.860 -1.075 1.00 0.47 H new ATOM 0 HA ASP B 69 16.232 -6.959 0.653 1.00 0.49 H new ATOM 0 HB2 ASP B 69 16.892 -6.584 -1.779 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.009 -5.354 -1.222 1.00 0.60 H new ATOM 2322 N ASN B 70 17.683 -4.041 1.165 1.00 0.55 N ATOM 2323 CA ASN B 70 18.416 -3.231 2.131 1.00 0.61 C ATOM 2324 C ASN B 70 17.740 -3.282 3.496 1.00 0.56 C ATOM 2325 O ASN B 70 18.359 -3.646 4.495 1.00 0.60 O ATOM 2326 CB ASN B 70 18.506 -1.778 1.640 1.00 0.74 C ATOM 2327 CG ASN B 70 18.633 -0.772 2.775 1.00 1.37 C ATOM 2328 OD1 ASN B 70 17.676 -0.073 3.110 1.00 1.88 O ATOM 2329 ND2 ASN B 70 19.810 -0.698 3.376 1.00 2.19 N ATOM 0 H ASN B 70 17.395 -3.532 0.329 1.00 0.55 H new ATOM 0 HA ASN B 70 19.423 -3.636 2.229 1.00 0.61 H new ATOM 0 HB2 ASN B 70 19.364 -1.678 0.976 1.00 0.74 H new ATOM 0 HB3 ASN B 70 17.619 -1.544 1.052 1.00 0.74 H new ATOM 0 HD21 ASN B 70 19.949 -0.044 4.147 1.00 2.19 H new ATOM 0 HD22 ASN B 70 20.578 -1.295 3.069 1.00 2.19 H new ATOM 2336 N TRP B 71 16.456 -2.952 3.517 1.00 0.54 N ATOM 2337 CA TRP B 71 15.672 -2.953 4.743 1.00 0.54 C ATOM 2338 C TRP B 71 15.644 -4.338 5.377 1.00 0.47 C ATOM 2339 O TRP B 71 15.741 -4.478 6.597 1.00 0.53 O ATOM 2340 CB TRP B 71 14.251 -2.490 4.437 1.00 0.57 C ATOM 2341 CG TRP B 71 13.390 -2.334 5.652 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.331 -1.252 6.473 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.444 -3.281 6.162 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.420 -1.469 7.478 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.858 -2.708 7.304 1.00 0.75 C ATOM 2346 CE3 TRP B 71 12.042 -4.560 5.763 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 10.884 -3.367 8.053 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.072 -5.213 6.504 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.504 -4.618 7.638 1.00 0.74 C ATOM 0 H TRP B 71 15.930 -2.677 2.687 1.00 0.54 H new ATOM 0 HA TRP B 71 16.137 -2.269 5.452 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.295 -1.537 3.910 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.783 -3.206 3.762 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.916 -0.352 6.353 1.00 0.81 H new ATOM 0 HE1 TRP B 71 12.198 -0.816 8.230 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.480 -5.029 4.894 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.445 -2.910 8.927 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.748 -6.198 6.203 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.752 -5.155 8.197 1.00 0.74 H new ATOM 2360 N LEU B 72 15.481 -5.356 4.548 1.00 0.42 N ATOM 2361 CA LEU B 72 15.392 -6.728 5.025 1.00 0.44 C ATOM 2362 C LEU B 72 16.657 -7.154 5.764 1.00 0.55 C ATOM 2363 O LEU B 72 16.602 -7.970 6.681 1.00 0.65 O ATOM 2364 CB LEU B 72 15.130 -7.674 3.855 1.00 0.50 C ATOM 2365 CG LEU B 72 13.989 -8.662 4.073 1.00 0.47 C ATOM 2366 CD1 LEU B 72 12.717 -8.163 3.410 1.00 0.58 C ATOM 2367 CD2 LEU B 72 14.367 -10.036 3.543 1.00 0.60 C ATOM 0 H LEU B 72 15.407 -5.258 3.535 1.00 0.42 H new ATOM 0 HA LEU B 72 14.562 -6.779 5.729 1.00 0.44 H new ATOM 0 HB2 LEU B 72 14.912 -7.080 2.968 1.00 0.50 H new ATOM 0 HB3 LEU B 72 16.042 -8.234 3.648 1.00 0.50 H new ATOM 0 HG LEU B 72 13.805 -8.746 5.144 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.914 -8.881 3.576 1.00 0.58 H new ATOM 0 HD12 LEU B 72 12.437 -7.200 3.838 1.00 0.58 H new ATOM 0 HD13 LEU B 72 12.886 -8.049 2.339 1.00 0.58 H new ATOM 0 HD21 LEU B 72 13.542 -10.729 3.707 1.00 0.60 H new ATOM 0 HD22 LEU B 72 14.578 -9.969 2.476 1.00 0.60 H new ATOM 0 HD23 LEU B 72 15.253 -10.397 4.066 1.00 0.60 H new ATOM 2379 N LYS B 73 17.794 -6.625 5.345 1.00 0.63 N ATOM 2380 CA LYS B 73 19.066 -6.995 5.950 1.00 0.83 C ATOM 2381 C LYS B 73 19.446 -6.032 7.072 1.00 0.97 C ATOM 2382 O LYS B 73 20.212 -6.380 7.968 1.00 1.13 O ATOM 2383 CB LYS B 73 20.158 -7.040 4.879 1.00 0.96 C ATOM 2384 CG LYS B 73 19.808 -7.950 3.713 1.00 0.92 C ATOM 2385 CD LYS B 73 20.875 -7.923 2.628 1.00 1.16 C ATOM 2386 CE LYS B 73 20.986 -9.263 1.918 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.726 -9.632 1.219 1.00 1.79 N ATOM 0 H LYS B 73 17.865 -5.941 4.592 1.00 0.63 H new ATOM 0 HA LYS B 73 18.963 -7.986 6.391 1.00 0.83 H new ATOM 0 HB2 LYS B 73 20.335 -6.031 4.505 1.00 0.96 H new ATOM 0 HB3 LYS B 73 21.089 -7.380 5.332 1.00 0.96 H new ATOM 0 HG2 LYS B 73 19.684 -8.971 4.074 1.00 0.92 H new ATOM 0 HG3 LYS B 73 18.852 -7.644 3.289 1.00 0.92 H new ATOM 0 HD2 LYS B 73 20.637 -7.145 1.903 1.00 1.16 H new ATOM 0 HD3 LYS B 73 21.837 -7.664 3.070 1.00 1.16 H new ATOM 0 HE2 LYS B 73 21.802 -9.224 1.197 1.00 1.41 H new ATOM 0 HE3 LYS B 73 21.238 -10.037 2.643 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.564 -10.655 1.312 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.929 -9.115 1.643 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 19.802 -9.384 0.212 1.00 1.79 H new ATOM 2401 N GLU B 74 18.919 -4.816 7.017 1.00 0.99 N ATOM 2402 CA GLU B 74 19.220 -3.808 8.025 1.00 1.22 C ATOM 2403 C GLU B 74 18.332 -3.978 9.250 1.00 1.27 C ATOM 2404 O GLU B 74 18.786 -3.849 10.387 1.00 1.50 O ATOM 2405 CB GLU B 74 19.041 -2.405 7.446 1.00 1.37 C ATOM 2406 CG GLU B 74 20.219 -1.942 6.610 1.00 1.81 C ATOM 2407 CD GLU B 74 21.430 -1.614 7.455 1.00 2.23 C ATOM 2408 OE1 GLU B 74 21.543 -0.459 7.920 1.00 2.51 O ATOM 2409 OE2 GLU B 74 22.279 -2.508 7.659 1.00 2.78 O ATOM 0 H GLU B 74 18.281 -4.504 6.285 1.00 0.99 H new ATOM 0 HA GLU B 74 20.258 -3.939 8.330 1.00 1.22 H new ATOM 0 HB2 GLU B 74 18.140 -2.386 6.833 1.00 1.37 H new ATOM 0 HB3 GLU B 74 18.886 -1.700 8.263 1.00 1.37 H new ATOM 0 HG2 GLU B 74 20.480 -2.719 5.892 1.00 1.81 H new ATOM 0 HG3 GLU B 74 19.930 -1.062 6.036 1.00 1.81 H new ATOM 2416 N ASN B 75 17.049 -4.211 9.008 1.00 1.11 N ATOM 2417 CA ASN B 75 16.070 -4.326 10.086 1.00 1.21 C ATOM 2418 C ASN B 75 16.125 -5.706 10.750 1.00 1.14 C ATOM 2419 O ASN B 75 15.629 -5.887 11.863 1.00 1.29 O ATOM 2420 CB ASN B 75 14.658 -4.037 9.549 1.00 1.28 C ATOM 2421 CG ASN B 75 13.797 -5.280 9.422 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.065 -5.637 10.340 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.871 -5.940 8.276 1.00 1.97 N ATOM 0 H ASN B 75 16.659 -4.325 8.072 1.00 1.11 H new ATOM 0 HA ASN B 75 16.317 -3.587 10.848 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.163 -3.327 10.212 1.00 1.28 H new ATOM 0 HB3 ASN B 75 14.739 -3.559 8.573 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.307 -6.778 8.132 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.492 -5.611 7.537 1.00 1.97 H new ATOM 2430 N GLU B 76 16.729 -6.673 10.067 1.00 1.01 N ATOM 2431 CA GLU B 76 16.830 -8.028 10.595 1.00 1.08 C ATOM 2432 C GLU B 76 17.776 -8.077 11.788 1.00 1.38 C ATOM 2433 O GLU B 76 18.987 -7.855 11.595 1.00 1.93 O ATOM 2434 CB GLU B 76 17.316 -8.992 9.511 1.00 1.36 C ATOM 2435 CG GLU B 76 16.615 -10.341 9.536 1.00 1.88 C ATOM 2436 CD GLU B 76 17.513 -11.459 10.018 1.00 2.20 C ATOM 2437 OE1 GLU B 76 18.476 -11.805 9.302 1.00 2.52 O ATOM 2438 OE2 GLU B 76 17.261 -12.000 11.116 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.305 -8.341 12.914 1.00 1.90 O ATOM 0 H GLU B 76 17.155 -6.544 9.149 1.00 1.01 H new ATOM 0 HA GLU B 76 15.837 -8.333 10.924 1.00 1.08 H new ATOM 0 HB2 GLU B 76 17.166 -8.532 8.534 1.00 1.36 H new ATOM 0 HB3 GLU B 76 18.388 -9.147 9.629 1.00 1.36 H new ATOM 0 HG2 GLU B 76 15.740 -10.279 10.183 1.00 1.88 H new ATOM 0 HG3 GLU B 76 16.254 -10.577 8.535 1.00 1.88 H new TER 2446 GLU B 76