USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1510 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: B 89 THR OG1 : rot 89:sc= 0.00495 USER MOD Set 1.2: B 90 HIS : no HD1:sc= 0.109 X(o=0.11,f=-0.078) USER MOD Set 2.1: A 89 THR OG1 : rot 88:sc= 0.0195 USER MOD Set 2.2: A 90 HIS : no HD1:sc= 0.115 X(o=0.13,f=-0.075) USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.478) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.34 (180deg=1.09) USER MOD Single : A 2 THR OG1 : rot 75:sc= 0.302 USER MOD Single : A 3 LYS NZ :NH3+ 144:sc= -1.92 (180deg=-5.56!) USER MOD Single : A 7 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-3.4!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.55) USER MOD Single : A 18 TYR OH : rot -118:sc= 1.69 USER MOD Single : A 19 SER OG : rot 94:sc= 1.21 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.00847 X(o=-0.0085,f=-0.013) USER MOD Single : A 27 THR OG1 : rot 124:sc= 0.194 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 30 LYS NZ :NH3+ -123:sc= -0.168 (180deg=-0.737) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.83) USER MOD Single : A 38 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 1.16 (180deg=0.853) USER MOD Single : A 47 ASN : amide:sc= 1.14 K(o=1.1,f=-0.027) USER MOD Single : A 49 LYS NZ :NH3+ 171:sc= -0.14 (180deg=-0.322) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.0363 (180deg=-0.172) USER MOD Single : A 59 GLN : amide:sc= -3.07! K(o=-3.1!,f=-0.2) USER MOD Single : A 64 ASN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 65 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.0027) USER MOD Single : A 68 GLN : amide:sc= -0.969 K(o=-0.97,f=-3.7!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 76 SER OG : rot 47:sc= 0.742 USER MOD Single : A 83 LYS NZ :NH3+ -124:sc= -0.267 (180deg=-3.71!) USER MOD Single : A 86 HIS : no HD1:sc= 0.013 K(o=0.013,f=-0.86) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.91 K(o=0.91,f=-4.6!) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc=-0.000547 (180deg=-0.13) USER MOD Single : B 1 MET CE :methyl 156:sc= 0 (180deg=-0.587) USER MOD Single : B 1 MET N :NH3+ -165:sc= 1.49 (180deg=1.12) USER MOD Single : B 2 THR OG1 : rot 75:sc= 0.353 USER MOD Single : B 3 LYS NZ :NH3+ 150:sc= -1.57 (180deg=-5.53!) USER MOD Single : B 7 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-3.4!) USER MOD Single : B 13 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.52) USER MOD Single : B 18 TYR OH : rot -122:sc= 1.73 USER MOD Single : B 19 SER OG : rot 102:sc= 1.24 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HD1:sc=-0.00617 X(o=-0.0062,f=-0.015) USER MOD Single : B 27 THR OG1 : rot 126:sc= 0.186 USER MOD Single : B 29 SER OG : rot 180:sc= 0.00186 USER MOD Single : B 30 LYS NZ :NH3+ -116:sc= -0.181 (180deg=-0.755) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.82) USER MOD Single : B 38 THR OG1 : rot -72:sc= 1.09 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -0.302 K(o=-0.3,f=-1.3) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.966) USER MOD Single : B 47 ASN : amide:sc= 1.2 K(o=1.2,f=-0.01) USER MOD Single : B 49 LYS NZ :NH3+ 169:sc= -0.177 (180deg=-0.346) USER MOD Single : B 51 LYS NZ :NH3+ -170:sc= -0.0285 (180deg=-0.165) USER MOD Single : B 59 GLN : amide:sc= -3.15! K(o=-3.1!,f=-0.2) USER MOD Single : B 64 ASN : amide:sc= -0.607 K(o=-0.61,f=0) USER MOD Single : B 65 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0028) USER MOD Single : B 68 GLN : amide:sc= -0.932 K(o=-0.93,f=-3.6!) USER MOD Single : B 72 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 76 SER OG : rot 44:sc= 0.822 USER MOD Single : B 83 LYS NZ :NH3+ -123:sc= -0.313 (180deg=-3.75!) USER MOD Single : B 86 HIS : no HD1:sc=-0.00104 K(o=-0.001,f=-1.1) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.722 K(o=0.72,f=-4.5!) USER MOD Single : B 91 LYS NZ :NH3+ -169:sc= -0.0107 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.470 3.942 12.488 1.00 4.69 N ATOM 2 CA MET A 1 -10.231 4.661 12.883 1.00 4.21 C ATOM 3 C MET A 1 -9.149 3.676 13.316 1.00 3.60 C ATOM 4 O MET A 1 -8.355 3.964 14.210 1.00 4.04 O ATOM 5 CB MET A 1 -10.516 5.636 14.031 1.00 4.50 C ATOM 6 CG MET A 1 -11.473 6.762 13.673 1.00 5.00 C ATOM 7 SD MET A 1 -10.858 7.806 12.340 1.00 5.79 S ATOM 8 CE MET A 1 -12.174 9.016 12.234 1.00 6.42 C ATOM 0 H1 MET A 1 -12.072 4.573 11.921 1.00 4.69 H new ATOM 0 H2 MET A 1 -11.220 3.104 11.925 1.00 4.69 H new ATOM 0 H3 MET A 1 -11.986 3.645 13.341 1.00 4.69 H new ATOM 0 HA MET A 1 -9.879 5.219 12.015 1.00 4.21 H new ATOM 0 HB2 MET A 1 -10.928 5.078 14.872 1.00 4.50 H new ATOM 0 HB3 MET A 1 -9.574 6.069 14.367 1.00 4.50 H new ATOM 0 HG2 MET A 1 -12.433 6.337 13.381 1.00 5.00 H new ATOM 0 HG3 MET A 1 -11.651 7.376 14.556 1.00 5.00 H new ATOM 0 HE1 MET A 1 -11.797 9.924 11.763 1.00 6.42 H new ATOM 0 HE2 MET A 1 -12.993 8.612 11.639 1.00 6.42 H new ATOM 0 HE3 MET A 1 -12.535 9.250 13.236 1.00 6.42 H new ATOM 20 N THR A 2 -9.114 2.519 12.673 1.00 3.06 N ATOM 21 CA THR A 2 -8.180 1.468 13.042 1.00 2.90 C ATOM 22 C THR A 2 -6.824 1.700 12.384 1.00 2.45 C ATOM 23 O THR A 2 -5.791 1.743 13.054 1.00 3.04 O ATOM 24 CB THR A 2 -8.720 0.089 12.623 1.00 3.67 C ATOM 25 OG1 THR A 2 -10.150 0.069 12.751 1.00 4.25 O ATOM 26 CG2 THR A 2 -8.115 -1.012 13.481 1.00 4.23 C ATOM 0 H THR A 2 -9.724 2.284 11.890 1.00 3.06 H new ATOM 0 HA THR A 2 -8.062 1.492 14.125 1.00 2.90 H new ATOM 0 HB THR A 2 -8.442 -0.089 11.584 1.00 3.67 H new ATOM 0 HG1 THR A 2 -10.551 0.577 12.016 1.00 4.25 H new ATOM 0 HG21 THR A 2 -8.511 -1.978 13.167 1.00 4.23 H new ATOM 0 HG22 THR A 2 -7.031 -1.010 13.365 1.00 4.23 H new ATOM 0 HG23 THR A 2 -8.368 -0.839 14.527 1.00 4.23 H new ATOM 34 N LYS A 3 -6.831 1.868 11.067 1.00 2.16 N ATOM 35 CA LYS A 3 -5.600 2.098 10.328 1.00 2.53 C ATOM 36 C LYS A 3 -5.364 3.592 10.127 1.00 2.08 C ATOM 37 O LYS A 3 -4.532 3.986 9.307 1.00 2.81 O ATOM 38 CB LYS A 3 -5.635 1.382 8.971 1.00 3.53 C ATOM 39 CG LYS A 3 -6.504 2.069 7.930 1.00 4.29 C ATOM 40 CD LYS A 3 -6.464 1.343 6.594 1.00 5.38 C ATOM 41 CE LYS A 3 -7.219 0.029 6.652 1.00 5.97 C ATOM 42 NZ LYS A 3 -8.639 0.237 7.021 1.00 6.05 N ATOM 0 H LYS A 3 -7.673 1.849 10.492 1.00 2.16 H new ATOM 0 HA LYS A 3 -4.776 1.689 10.913 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -4.618 1.305 8.586 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -5.998 0.365 9.118 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -7.532 2.115 8.288 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -6.167 3.097 7.796 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -6.896 1.978 5.821 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -5.428 1.156 6.311 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -7.162 -0.468 5.684 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -6.746 -0.632 7.378 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -9.235 -0.442 6.505 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -8.756 0.093 8.044 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -8.924 1.206 6.773 1.00 6.05 H new ATOM 56 N LEU A 4 -6.093 4.399 10.897 1.00 1.61 N ATOM 57 CA LEU A 4 -6.067 5.860 10.782 1.00 1.98 C ATOM 58 C LEU A 4 -4.641 6.405 10.774 1.00 1.51 C ATOM 59 O LEU A 4 -4.008 6.503 11.824 1.00 2.03 O ATOM 60 CB LEU A 4 -6.854 6.488 11.935 1.00 3.02 C ATOM 61 CG LEU A 4 -6.869 8.020 11.966 1.00 3.80 C ATOM 62 CD1 LEU A 4 -7.602 8.580 10.757 1.00 4.50 C ATOM 63 CD2 LEU A 4 -7.502 8.515 13.256 1.00 4.44 C ATOM 0 H LEU A 4 -6.723 4.057 11.623 1.00 1.61 H new ATOM 0 HA LEU A 4 -6.530 6.124 9.831 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -7.883 6.133 11.885 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -6.437 6.127 12.875 1.00 3.02 H new ATOM 0 HG LEU A 4 -5.839 8.374 11.927 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -7.599 9.669 10.802 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -7.102 8.253 9.845 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -8.631 8.220 10.756 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -7.506 9.605 13.264 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -8.526 8.148 13.323 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -6.928 8.148 14.107 1.00 4.44 H new ATOM 75 N GLU A 5 -4.169 6.728 9.559 1.00 1.20 N ATOM 76 CA GLU A 5 -2.840 7.312 9.268 1.00 0.93 C ATOM 77 C GLU A 5 -1.650 6.450 9.733 1.00 0.69 C ATOM 78 O GLU A 5 -0.654 6.366 9.027 1.00 0.68 O ATOM 79 CB GLU A 5 -2.708 8.758 9.785 1.00 1.39 C ATOM 80 CG GLU A 5 -2.544 8.905 11.287 1.00 1.80 C ATOM 81 CD GLU A 5 -2.296 10.337 11.702 1.00 2.48 C ATOM 82 OE1 GLU A 5 -1.126 10.770 11.682 1.00 3.00 O ATOM 83 OE2 GLU A 5 -3.269 11.035 12.053 1.00 3.10 O ATOM 0 H GLU A 5 -4.722 6.585 8.714 1.00 1.20 H new ATOM 0 HA GLU A 5 -2.788 7.332 8.179 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -1.851 9.223 9.297 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -3.592 9.317 9.478 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -3.440 8.535 11.786 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -1.713 8.284 11.622 1.00 1.80 H new ATOM 90 N GLU A 6 -1.758 5.801 10.886 1.00 0.68 N ATOM 91 CA GLU A 6 -0.658 5.022 11.461 1.00 0.67 C ATOM 92 C GLU A 6 -0.105 4.016 10.448 1.00 0.54 C ATOM 93 O GLU A 6 1.104 3.868 10.297 1.00 0.60 O ATOM 94 CB GLU A 6 -1.157 4.293 12.717 1.00 0.78 C ATOM 95 CG GLU A 6 -0.093 4.061 13.788 1.00 1.07 C ATOM 96 CD GLU A 6 0.987 3.084 13.370 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.685 1.880 13.239 1.00 2.51 O ATOM 98 OE2 GLU A 6 2.142 3.514 13.177 1.00 2.48 O ATOM 0 H GLU A 6 -2.607 5.797 11.451 1.00 0.68 H new ATOM 0 HA GLU A 6 0.151 5.702 11.728 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.973 4.869 13.154 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.570 3.329 12.420 1.00 0.78 H new ATOM 0 HG2 GLU A 6 0.370 5.015 14.041 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.575 3.691 14.693 1.00 1.07 H new ATOM 105 N HIS A 7 -0.998 3.356 9.724 1.00 0.42 N ATOM 106 CA HIS A 7 -0.590 2.324 8.783 1.00 0.38 C ATOM 107 C HIS A 7 0.006 2.951 7.528 1.00 0.35 C ATOM 108 O HIS A 7 1.143 2.653 7.166 1.00 0.39 O ATOM 109 CB HIS A 7 -1.771 1.408 8.427 1.00 0.43 C ATOM 110 CG HIS A 7 -2.242 0.563 9.575 1.00 0.95 C ATOM 111 ND1 HIS A 7 -2.347 -0.810 9.510 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.650 0.907 10.821 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.802 -1.267 10.664 1.00 2.16 C ATOM 114 NE2 HIS A 7 -2.992 -0.246 11.474 1.00 2.03 N ATOM 0 H HIS A 7 -2.004 3.516 9.770 1.00 0.42 H new ATOM 0 HA HIS A 7 0.177 1.713 9.259 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.601 2.020 8.072 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.480 0.757 7.603 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -2.697 1.908 11.225 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -2.987 -2.304 10.903 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.338 -0.305 12.432 1.00 2.03 H new ATOM 123 N LEU A 8 -0.758 3.835 6.895 1.00 0.34 N ATOM 124 CA LEU A 8 -0.329 4.515 5.671 1.00 0.32 C ATOM 125 C LEU A 8 0.910 5.373 5.911 1.00 0.33 C ATOM 126 O LEU A 8 1.969 5.142 5.327 1.00 0.33 O ATOM 127 CB LEU A 8 -1.461 5.406 5.174 1.00 0.33 C ATOM 128 CG LEU A 8 -2.801 4.695 4.986 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.879 5.687 4.616 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.689 3.603 3.931 1.00 0.33 C ATOM 0 H LEU A 8 -1.690 4.102 7.212 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.080 3.756 4.929 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.596 6.225 5.880 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.165 5.850 4.224 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.076 4.226 5.931 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.826 5.163 4.486 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.980 6.428 5.409 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.610 6.187 3.685 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.654 3.110 3.814 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.389 4.045 2.981 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.944 2.871 4.242 1.00 0.33 H new ATOM 142 N GLU A 9 0.774 6.340 6.806 1.00 0.37 N ATOM 143 CA GLU A 9 1.816 7.328 7.043 1.00 0.40 C ATOM 144 C GLU A 9 2.994 6.679 7.758 1.00 0.40 C ATOM 145 O GLU A 9 4.129 7.114 7.617 1.00 0.42 O ATOM 146 CB GLU A 9 1.238 8.493 7.861 1.00 0.47 C ATOM 147 CG GLU A 9 2.034 9.791 7.786 1.00 1.24 C ATOM 148 CD GLU A 9 3.220 9.834 8.728 1.00 1.72 C ATOM 149 OE1 GLU A 9 3.064 9.445 9.906 1.00 2.17 O ATOM 150 OE2 GLU A 9 4.311 10.273 8.299 1.00 2.41 O ATOM 0 H GLU A 9 -0.057 6.462 7.385 1.00 0.37 H new ATOM 0 HA GLU A 9 2.177 7.721 6.093 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.221 8.688 7.519 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.170 8.186 8.905 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.387 9.931 6.765 1.00 1.24 H new ATOM 0 HG3 GLU A 9 1.372 10.627 8.012 1.00 1.24 H new ATOM 157 N GLY A 10 2.715 5.619 8.503 1.00 0.40 N ATOM 158 CA GLY A 10 3.764 4.900 9.197 1.00 0.43 C ATOM 159 C GLY A 10 4.707 4.187 8.248 1.00 0.39 C ATOM 160 O GLY A 10 5.918 4.145 8.478 1.00 0.44 O ATOM 0 H GLY A 10 1.777 5.243 8.640 1.00 0.40 H new ATOM 0 HA2 GLY A 10 4.332 5.598 9.812 1.00 0.43 H new ATOM 0 HA3 GLY A 10 3.315 4.172 9.873 1.00 0.43 H new ATOM 164 N ILE A 11 4.161 3.626 7.172 1.00 0.34 N ATOM 165 CA ILE A 11 4.987 2.987 6.158 1.00 0.33 C ATOM 166 C ILE A 11 5.840 4.046 5.463 1.00 0.33 C ATOM 167 O ILE A 11 7.039 3.861 5.238 1.00 0.38 O ATOM 168 CB ILE A 11 4.129 2.231 5.115 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.366 1.088 5.789 1.00 0.41 C ATOM 170 CG2 ILE A 11 5.001 1.696 3.985 1.00 0.50 C ATOM 171 CD1 ILE A 11 2.410 0.363 4.866 1.00 1.16 C ATOM 0 H ILE A 11 3.159 3.602 6.983 1.00 0.34 H new ATOM 0 HA ILE A 11 5.627 2.255 6.650 1.00 0.33 H new ATOM 0 HB ILE A 11 3.409 2.929 4.688 1.00 0.35 H new ATOM 0 HG12 ILE A 11 4.083 0.371 6.189 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.807 1.486 6.636 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.378 1.168 3.263 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.505 2.526 3.490 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.744 1.011 4.392 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.907 -0.433 5.415 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.669 1.066 4.485 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.965 -0.067 4.032 1.00 1.16 H new ATOM 183 N VAL A 12 5.199 5.172 5.179 1.00 0.33 N ATOM 184 CA VAL A 12 5.843 6.319 4.549 1.00 0.38 C ATOM 185 C VAL A 12 6.925 6.921 5.458 1.00 0.40 C ATOM 186 O VAL A 12 7.949 7.419 4.991 1.00 0.45 O ATOM 187 CB VAL A 12 4.777 7.380 4.202 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.405 8.657 3.685 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.803 6.819 3.179 1.00 0.48 C ATOM 0 H VAL A 12 4.210 5.317 5.381 1.00 0.33 H new ATOM 0 HA VAL A 12 6.333 5.984 3.635 1.00 0.38 H new ATOM 0 HB VAL A 12 4.239 7.627 5.117 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.622 9.379 3.452 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.066 9.072 4.446 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.979 8.441 2.784 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.053 7.573 2.939 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.344 6.544 2.274 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.312 5.937 3.590 1.00 0.48 H new ATOM 199 N ASN A 13 6.693 6.855 6.762 1.00 0.42 N ATOM 200 CA ASN A 13 7.640 7.362 7.751 1.00 0.48 C ATOM 201 C ASN A 13 8.943 6.572 7.729 1.00 0.48 C ATOM 202 O ASN A 13 10.032 7.147 7.781 1.00 0.58 O ATOM 203 CB ASN A 13 7.016 7.311 9.149 1.00 0.61 C ATOM 204 CG ASN A 13 8.005 7.635 10.254 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.671 6.746 10.785 1.00 1.31 O ATOM 206 ND2 ASN A 13 8.106 8.905 10.610 1.00 1.42 N ATOM 0 H ASN A 13 5.848 6.451 7.165 1.00 0.42 H new ATOM 0 HA ASN A 13 7.871 8.396 7.497 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.185 8.015 9.195 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.602 6.317 9.320 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.754 9.177 11.349 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.536 9.612 10.145 1.00 1.42 H new ATOM 213 N ILE A 14 8.838 5.252 7.640 1.00 0.47 N ATOM 214 CA ILE A 14 10.028 4.409 7.617 1.00 0.57 C ATOM 215 C ILE A 14 10.750 4.550 6.279 1.00 0.53 C ATOM 216 O ILE A 14 11.955 4.315 6.178 1.00 0.60 O ATOM 217 CB ILE A 14 9.699 2.926 7.888 1.00 0.68 C ATOM 218 CG1 ILE A 14 8.846 2.788 9.152 1.00 1.33 C ATOM 219 CG2 ILE A 14 10.984 2.115 8.029 1.00 1.14 C ATOM 220 CD1 ILE A 14 9.515 3.318 10.404 1.00 2.06 C ATOM 0 H ILE A 14 7.954 4.747 7.583 1.00 0.47 H new ATOM 0 HA ILE A 14 10.681 4.750 8.421 1.00 0.57 H new ATOM 0 HB ILE A 14 9.131 2.539 7.042 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.905 3.317 9.003 1.00 1.33 H new ATOM 0 HG13 ILE A 14 8.601 1.736 9.300 1.00 1.33 H new ATOM 0 HG21 ILE A 14 10.736 1.071 8.220 1.00 1.14 H new ATOM 0 HG22 ILE A 14 11.563 2.188 7.109 1.00 1.14 H new ATOM 0 HG23 ILE A 14 11.572 2.506 8.859 1.00 1.14 H new ATOM 0 HD11 ILE A 14 8.849 3.185 11.257 1.00 2.06 H new ATOM 0 HD12 ILE A 14 10.442 2.773 10.580 1.00 2.06 H new ATOM 0 HD13 ILE A 14 9.736 4.378 10.278 1.00 2.06 H new ATOM 232 N PHE A 15 10.004 4.949 5.257 1.00 0.48 N ATOM 233 CA PHE A 15 10.594 5.308 3.976 1.00 0.58 C ATOM 234 C PHE A 15 11.577 6.461 4.178 1.00 0.60 C ATOM 235 O PHE A 15 12.685 6.461 3.642 1.00 0.70 O ATOM 236 CB PHE A 15 9.489 5.703 2.988 1.00 0.68 C ATOM 237 CG PHE A 15 9.990 6.253 1.684 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.278 5.408 0.629 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.173 7.616 1.516 1.00 1.93 C ATOM 240 CE1 PHE A 15 10.737 5.909 -0.571 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.634 8.122 0.320 1.00 2.54 C ATOM 242 CZ PHE A 15 10.917 7.267 -0.725 1.00 2.57 C ATOM 0 H PHE A 15 8.988 5.032 5.291 1.00 0.48 H new ATOM 0 HA PHE A 15 11.133 4.454 3.565 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.870 4.829 2.786 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.846 6.447 3.459 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.142 4.343 0.746 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.952 8.289 2.331 1.00 1.93 H new ATOM 0 HE1 PHE A 15 10.955 5.238 -1.389 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.774 9.186 0.201 1.00 2.54 H new ATOM 0 HZ PHE A 15 11.279 7.661 -1.663 1.00 2.57 H new ATOM 252 N HIS A 16 11.159 7.425 4.987 1.00 0.59 N ATOM 253 CA HIS A 16 11.994 8.568 5.334 1.00 0.71 C ATOM 254 C HIS A 16 13.118 8.147 6.285 1.00 0.75 C ATOM 255 O HIS A 16 14.139 8.822 6.391 1.00 0.88 O ATOM 256 CB HIS A 16 11.128 9.657 5.981 1.00 0.77 C ATOM 257 CG HIS A 16 11.877 10.900 6.360 1.00 1.15 C ATOM 258 ND1 HIS A 16 12.307 11.157 7.645 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.260 11.965 5.618 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.919 12.324 7.675 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.905 12.837 6.461 1.00 2.23 N ATOM 0 H HIS A 16 10.236 7.438 5.420 1.00 0.59 H new ATOM 0 HA HIS A 16 12.449 8.963 4.426 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.328 9.926 5.291 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.655 9.246 6.873 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.090 12.103 4.560 1.00 1.84 H new ATOM 0 HE1 HIS A 16 13.358 12.783 8.548 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.307 13.735 6.191 1.00 2.23 H new ATOM 270 N GLN A 17 12.913 7.031 6.974 1.00 0.69 N ATOM 271 CA GLN A 17 13.871 6.551 7.964 1.00 0.81 C ATOM 272 C GLN A 17 15.175 6.071 7.323 1.00 0.93 C ATOM 273 O GLN A 17 16.245 6.584 7.654 1.00 1.18 O ATOM 274 CB GLN A 17 13.254 5.429 8.808 1.00 0.85 C ATOM 275 CG GLN A 17 14.219 4.829 9.820 1.00 1.27 C ATOM 276 CD GLN A 17 14.761 5.857 10.796 1.00 1.99 C ATOM 277 OE1 GLN A 17 14.083 6.823 11.145 1.00 2.60 O ATOM 278 NE2 GLN A 17 15.994 5.662 11.227 1.00 2.77 N ATOM 0 H GLN A 17 12.089 6.439 6.865 1.00 0.69 H new ATOM 0 HA GLN A 17 14.115 7.395 8.609 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.383 5.819 9.335 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.899 4.640 8.145 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.712 4.040 10.375 1.00 1.27 H new ATOM 0 HG3 GLN A 17 15.050 4.363 9.291 1.00 1.27 H new ATOM 0 HE21 GLN A 17 16.521 4.848 10.913 1.00 2.77 H new ATOM 0 HE22 GLN A 17 16.419 6.326 11.874 1.00 2.77 H new ATOM 287 N TYR A 18 15.103 5.095 6.413 1.00 0.85 N ATOM 288 CA TYR A 18 16.322 4.510 5.860 1.00 1.07 C ATOM 289 C TYR A 18 17.109 5.527 5.034 1.00 1.34 C ATOM 290 O TYR A 18 18.327 5.423 4.911 1.00 1.76 O ATOM 291 CB TYR A 18 16.024 3.244 5.041 1.00 1.22 C ATOM 292 CG TYR A 18 15.202 3.453 3.785 1.00 2.34 C ATOM 293 CD1 TYR A 18 15.781 3.951 2.629 1.00 3.25 C ATOM 294 CD2 TYR A 18 13.858 3.120 3.750 1.00 3.14 C ATOM 295 CE1 TYR A 18 15.044 4.113 1.473 1.00 4.48 C ATOM 296 CE2 TYR A 18 13.112 3.283 2.598 1.00 4.38 C ATOM 297 CZ TYR A 18 13.712 3.778 1.463 1.00 4.92 C ATOM 298 OH TYR A 18 12.981 3.930 0.310 1.00 6.25 O ATOM 0 H TYR A 18 14.234 4.702 6.052 1.00 0.85 H new ATOM 0 HA TYR A 18 16.946 4.216 6.704 1.00 1.07 H new ATOM 0 HB2 TYR A 18 16.971 2.783 4.761 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.501 2.534 5.681 1.00 1.22 H new ATOM 0 HD1 TYR A 18 16.828 4.217 2.632 1.00 3.25 H new ATOM 0 HD2 TYR A 18 13.385 2.726 4.638 1.00 3.14 H new ATOM 0 HE1 TYR A 18 15.513 4.501 0.581 1.00 4.48 H new ATOM 0 HE2 TYR A 18 12.064 3.023 2.589 1.00 4.38 H new ATOM 0 HH TYR A 18 12.262 4.579 0.461 1.00 6.25 H new ATOM 308 N SER A 19 16.416 6.511 4.478 1.00 1.32 N ATOM 309 CA SER A 19 17.073 7.589 3.755 1.00 1.77 C ATOM 310 C SER A 19 16.645 8.942 4.305 1.00 1.85 C ATOM 311 O SER A 19 15.760 9.603 3.752 1.00 2.32 O ATOM 312 CB SER A 19 16.770 7.508 2.258 1.00 2.37 C ATOM 313 OG SER A 19 17.438 6.409 1.656 1.00 3.01 O ATOM 0 H SER A 19 15.399 6.584 4.514 1.00 1.32 H new ATOM 0 HA SER A 19 18.148 7.479 3.894 1.00 1.77 H new ATOM 0 HB2 SER A 19 15.695 7.410 2.107 1.00 2.37 H new ATOM 0 HB3 SER A 19 17.077 8.434 1.772 1.00 2.37 H new ATOM 0 HG SER A 19 16.842 5.632 1.642 1.00 3.01 H new ATOM 319 N VAL A 20 17.269 9.344 5.405 1.00 2.11 N ATOM 320 CA VAL A 20 16.987 10.636 6.008 1.00 2.50 C ATOM 321 C VAL A 20 17.467 11.760 5.097 1.00 2.64 C ATOM 322 O VAL A 20 18.509 11.651 4.445 1.00 3.25 O ATOM 323 CB VAL A 20 17.634 10.784 7.406 1.00 3.30 C ATOM 324 CG1 VAL A 20 17.026 9.790 8.383 1.00 3.90 C ATOM 325 CG2 VAL A 20 19.143 10.606 7.336 1.00 4.13 C ATOM 0 H VAL A 20 17.973 8.793 5.896 1.00 2.11 H new ATOM 0 HA VAL A 20 15.906 10.701 6.135 1.00 2.50 H new ATOM 0 HB VAL A 20 17.431 11.793 7.764 1.00 3.30 H new ATOM 0 HG11 VAL A 20 17.493 9.909 9.361 1.00 3.90 H new ATOM 0 HG12 VAL A 20 15.955 9.972 8.468 1.00 3.90 H new ATOM 0 HG13 VAL A 20 17.194 8.775 8.021 1.00 3.90 H new ATOM 0 HG21 VAL A 20 19.569 10.716 8.333 1.00 4.13 H new ATOM 0 HG22 VAL A 20 19.375 9.614 6.949 1.00 4.13 H new ATOM 0 HG23 VAL A 20 19.568 11.361 6.675 1.00 4.13 H new ATOM 335 N ARG A 21 16.700 12.834 5.049 1.00 2.80 N ATOM 336 CA ARG A 21 16.991 13.938 4.151 1.00 3.55 C ATOM 337 C ARG A 21 17.913 14.942 4.837 1.00 3.96 C ATOM 338 O ARG A 21 18.402 15.888 4.218 1.00 4.55 O ATOM 339 CB ARG A 21 15.685 14.597 3.714 1.00 4.19 C ATOM 340 CG ARG A 21 15.793 15.412 2.436 1.00 4.83 C ATOM 341 CD ARG A 21 14.416 15.761 1.906 1.00 5.36 C ATOM 342 NE ARG A 21 13.619 14.557 1.661 1.00 5.87 N ATOM 343 CZ ARG A 21 12.364 14.383 2.081 1.00 6.57 C ATOM 344 NH1 ARG A 21 11.727 15.349 2.734 1.00 6.84 N ATOM 345 NH2 ARG A 21 11.745 13.235 1.846 1.00 7.28 N ATOM 0 H ARG A 21 15.868 12.966 5.624 1.00 2.80 H new ATOM 0 HA ARG A 21 17.503 13.564 3.264 1.00 3.55 H new ATOM 0 HB2 ARG A 21 14.930 13.823 3.575 1.00 4.19 H new ATOM 0 HB3 ARG A 21 15.333 15.246 4.516 1.00 4.19 H new ATOM 0 HG2 ARG A 21 16.357 16.325 2.627 1.00 4.83 H new ATOM 0 HG3 ARG A 21 16.345 14.848 1.684 1.00 4.83 H new ATOM 0 HD2 ARG A 21 13.900 16.402 2.621 1.00 5.36 H new ATOM 0 HD3 ARG A 21 14.513 16.330 0.981 1.00 5.36 H new ATOM 0 HE ARG A 21 14.053 13.799 1.133 1.00 5.87 H new ATOM 0 HH11 ARG A 21 12.197 16.235 2.919 1.00 6.84 H new ATOM 0 HH12 ARG A 21 10.768 15.204 3.050 1.00 6.84 H new ATOM 0 HH21 ARG A 21 12.228 12.488 1.346 1.00 7.28 H new ATOM 0 HH22 ARG A 21 10.786 13.098 2.165 1.00 7.28 H new ATOM 359 N LYS A 22 18.138 14.726 6.129 1.00 4.13 N ATOM 360 CA LYS A 22 19.095 15.516 6.891 1.00 4.90 C ATOM 361 C LYS A 22 20.499 15.277 6.349 1.00 5.04 C ATOM 362 O LYS A 22 21.332 16.182 6.308 1.00 5.58 O ATOM 363 CB LYS A 22 19.025 15.142 8.374 1.00 5.68 C ATOM 364 CG LYS A 22 19.995 15.916 9.251 1.00 6.44 C ATOM 365 CD LYS A 22 19.866 15.510 10.709 1.00 7.32 C ATOM 366 CE LYS A 22 20.880 16.232 11.578 1.00 8.19 C ATOM 367 NZ LYS A 22 20.746 15.860 13.010 1.00 8.70 N ATOM 0 H LYS A 22 17.665 14.004 6.673 1.00 4.13 H new ATOM 0 HA LYS A 22 18.850 16.573 6.791 1.00 4.90 H new ATOM 0 HB2 LYS A 22 18.010 15.312 8.734 1.00 5.68 H new ATOM 0 HB3 LYS A 22 19.226 14.076 8.480 1.00 5.68 H new ATOM 0 HG2 LYS A 22 21.016 15.740 8.911 1.00 6.44 H new ATOM 0 HG3 LYS A 22 19.806 16.985 9.151 1.00 6.44 H new ATOM 0 HD2 LYS A 22 18.859 15.732 11.062 1.00 7.32 H new ATOM 0 HD3 LYS A 22 20.006 14.433 10.802 1.00 7.32 H new ATOM 0 HE2 LYS A 22 21.887 15.995 11.234 1.00 8.19 H new ATOM 0 HE3 LYS A 22 20.751 17.309 11.469 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 21.456 16.374 13.570 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 19.794 16.109 13.346 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 20.895 14.836 13.118 1.00 8.70 H new ATOM 381 N GLY A 23 20.748 14.046 5.938 1.00 4.88 N ATOM 382 CA GLY A 23 21.982 13.724 5.262 1.00 5.26 C ATOM 383 C GLY A 23 21.743 13.549 3.783 1.00 5.25 C ATOM 384 O GLY A 23 21.526 12.431 3.317 1.00 5.67 O ATOM 0 H GLY A 23 20.111 13.259 6.062 1.00 4.88 H new ATOM 0 HA2 GLY A 23 22.712 14.517 5.427 1.00 5.26 H new ATOM 0 HA3 GLY A 23 22.404 12.810 5.679 1.00 5.26 H new ATOM 388 N HIS A 24 21.749 14.664 3.055 1.00 5.15 N ATOM 389 CA HIS A 24 21.425 14.666 1.628 1.00 5.44 C ATOM 390 C HIS A 24 22.245 13.638 0.855 1.00 4.99 C ATOM 391 O HIS A 24 23.471 13.577 0.974 1.00 5.43 O ATOM 392 CB HIS A 24 21.613 16.063 1.016 1.00 6.29 C ATOM 393 CG HIS A 24 23.011 16.600 1.088 1.00 6.92 C ATOM 394 ND1 HIS A 24 23.918 16.484 0.058 1.00 7.55 N ATOM 395 CD2 HIS A 24 23.652 17.270 2.074 1.00 7.35 C ATOM 396 CE1 HIS A 24 25.053 17.056 0.407 1.00 8.27 C ATOM 397 NE2 HIS A 24 24.919 17.540 1.625 1.00 8.17 N ATOM 0 H HIS A 24 21.976 15.584 3.432 1.00 5.15 H new ATOM 0 HA HIS A 24 20.375 14.387 1.544 1.00 5.44 H new ATOM 0 HB2 HIS A 24 21.305 16.030 -0.029 1.00 6.29 H new ATOM 0 HB3 HIS A 24 20.945 16.759 1.524 1.00 6.29 H new ATOM 0 HD2 HIS A 24 23.242 17.541 3.035 1.00 7.35 H new ATOM 0 HE1 HIS A 24 25.942 17.118 -0.202 1.00 8.27 H new ATOM 0 HE2 HIS A 24 25.641 18.035 2.149 1.00 8.17 H new ATOM 406 N PHE A 25 21.541 12.833 0.077 1.00 4.48 N ATOM 407 CA PHE A 25 22.144 11.795 -0.747 1.00 4.32 C ATOM 408 C PHE A 25 21.077 11.265 -1.692 1.00 3.71 C ATOM 409 O PHE A 25 21.325 11.065 -2.883 1.00 3.95 O ATOM 410 CB PHE A 25 22.709 10.664 0.124 1.00 4.90 C ATOM 411 CG PHE A 25 23.475 9.626 -0.648 1.00 5.62 C ATOM 412 CD1 PHE A 25 24.635 9.965 -1.326 1.00 6.16 C ATOM 413 CD2 PHE A 25 23.038 8.313 -0.694 1.00 6.16 C ATOM 414 CE1 PHE A 25 25.344 9.013 -2.035 1.00 7.09 C ATOM 415 CE2 PHE A 25 23.742 7.356 -1.401 1.00 7.08 C ATOM 416 CZ PHE A 25 24.896 7.707 -2.072 1.00 7.50 C ATOM 0 H PHE A 25 20.525 12.881 -0.002 1.00 4.48 H new ATOM 0 HA PHE A 25 22.976 12.209 -1.316 1.00 4.32 H new ATOM 0 HB2 PHE A 25 23.363 11.095 0.882 1.00 4.90 H new ATOM 0 HB3 PHE A 25 21.887 10.178 0.650 1.00 4.90 H new ATOM 0 HD1 PHE A 25 24.989 10.985 -1.300 1.00 6.16 H new ATOM 0 HD2 PHE A 25 22.136 8.033 -0.171 1.00 6.16 H new ATOM 0 HE1 PHE A 25 26.247 9.290 -2.559 1.00 7.09 H new ATOM 0 HE2 PHE A 25 23.390 6.335 -1.428 1.00 7.08 H new ATOM 0 HZ PHE A 25 25.448 6.961 -2.625 1.00 7.50 H new ATOM 426 N ASP A 26 19.892 11.038 -1.121 1.00 3.49 N ATOM 427 CA ASP A 26 18.668 10.766 -1.879 1.00 3.48 C ATOM 428 C ASP A 26 18.880 9.717 -2.964 1.00 3.05 C ATOM 429 O ASP A 26 18.564 9.941 -4.135 1.00 3.62 O ATOM 430 CB ASP A 26 18.127 12.060 -2.498 1.00 4.39 C ATOM 431 CG ASP A 26 17.754 13.101 -1.458 1.00 5.09 C ATOM 432 OD1 ASP A 26 18.662 13.798 -0.950 1.00 5.48 O ATOM 433 OD2 ASP A 26 16.548 13.243 -1.158 1.00 5.62 O ATOM 0 H ASP A 26 19.753 11.038 -0.110 1.00 3.49 H new ATOM 0 HA ASP A 26 17.938 10.365 -1.176 1.00 3.48 H new ATOM 0 HB2 ASP A 26 18.878 12.477 -3.169 1.00 4.39 H new ATOM 0 HB3 ASP A 26 17.251 11.829 -3.104 1.00 4.39 H new ATOM 438 N THR A 27 19.424 8.580 -2.574 1.00 2.55 N ATOM 439 CA THR A 27 19.621 7.478 -3.495 1.00 2.52 C ATOM 440 C THR A 27 18.850 6.259 -3.009 1.00 1.71 C ATOM 441 O THR A 27 19.380 5.409 -2.290 1.00 2.29 O ATOM 442 CB THR A 27 21.116 7.143 -3.652 1.00 3.34 C ATOM 443 OG1 THR A 27 21.842 8.335 -3.987 1.00 3.84 O ATOM 444 CG2 THR A 27 21.329 6.096 -4.736 1.00 3.94 C ATOM 0 H THR A 27 19.738 8.395 -1.621 1.00 2.55 H new ATOM 0 HA THR A 27 19.244 7.774 -4.474 1.00 2.52 H new ATOM 0 HB THR A 27 21.480 6.740 -2.707 1.00 3.34 H new ATOM 0 HG1 THR A 27 22.560 8.475 -3.335 1.00 3.84 H new ATOM 0 HG21 THR A 27 22.393 5.877 -4.827 1.00 3.94 H new ATOM 0 HG22 THR A 27 20.793 5.185 -4.472 1.00 3.94 H new ATOM 0 HG23 THR A 27 20.954 6.475 -5.687 1.00 3.94 H new ATOM 452 N LEU A 28 17.588 6.194 -3.400 1.00 1.14 N ATOM 453 CA LEU A 28 16.682 5.147 -2.955 1.00 0.90 C ATOM 454 C LEU A 28 16.858 3.890 -3.801 1.00 0.71 C ATOM 455 O LEU A 28 15.933 3.446 -4.475 1.00 0.76 O ATOM 456 CB LEU A 28 15.240 5.647 -3.058 1.00 1.66 C ATOM 457 CG LEU A 28 14.968 6.997 -2.389 1.00 2.02 C ATOM 458 CD1 LEU A 28 13.604 7.525 -2.795 1.00 2.91 C ATOM 459 CD2 LEU A 28 15.058 6.873 -0.877 1.00 2.37 C ATOM 0 H LEU A 28 17.162 6.867 -4.037 1.00 1.14 H new ATOM 0 HA LEU A 28 16.910 4.898 -1.919 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.973 5.722 -4.112 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.581 4.901 -2.614 1.00 1.66 H new ATOM 0 HG LEU A 28 15.728 7.704 -2.723 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.427 8.485 -2.311 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.571 7.653 -3.877 1.00 2.91 H new ATOM 0 HD13 LEU A 28 12.834 6.817 -2.489 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.862 7.843 -0.420 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.321 6.151 -0.527 1.00 2.37 H new ATOM 0 HD23 LEU A 28 16.057 6.536 -0.598 1.00 2.37 H new ATOM 471 N SER A 29 18.046 3.317 -3.761 1.00 0.61 N ATOM 472 CA SER A 29 18.357 2.165 -4.584 1.00 0.49 C ATOM 473 C SER A 29 17.929 0.863 -3.906 1.00 0.44 C ATOM 474 O SER A 29 17.281 0.888 -2.855 1.00 0.53 O ATOM 475 CB SER A 29 19.847 2.149 -4.901 1.00 0.55 C ATOM 476 OG SER A 29 20.617 2.194 -3.712 1.00 1.35 O ATOM 0 H SER A 29 18.812 3.632 -3.166 1.00 0.61 H new ATOM 0 HA SER A 29 17.796 2.243 -5.515 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.093 1.249 -5.465 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.098 3.000 -5.534 1.00 0.55 H new ATOM 0 HG SER A 29 21.570 2.181 -3.939 1.00 1.35 H new ATOM 482 N LYS A 30 18.293 -0.273 -4.492 1.00 0.38 N ATOM 483 CA LYS A 30 17.874 -1.562 -3.958 1.00 0.36 C ATOM 484 C LYS A 30 18.488 -1.820 -2.584 1.00 0.36 C ATOM 485 O LYS A 30 17.906 -2.529 -1.773 1.00 0.37 O ATOM 486 CB LYS A 30 18.224 -2.695 -4.927 1.00 0.39 C ATOM 487 CG LYS A 30 17.733 -4.063 -4.469 1.00 0.41 C ATOM 488 CD LYS A 30 17.859 -5.126 -5.559 1.00 0.50 C ATOM 489 CE LYS A 30 19.081 -4.924 -6.443 1.00 0.52 C ATOM 490 NZ LYS A 30 20.363 -4.998 -5.688 1.00 1.32 N ATOM 0 H LYS A 30 18.872 -0.327 -5.330 1.00 0.38 H new ATOM 0 HA LYS A 30 16.791 -1.534 -3.841 1.00 0.36 H new ATOM 0 HB2 LYS A 30 17.794 -2.472 -5.904 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.306 -2.731 -5.055 1.00 0.39 H new ATOM 0 HG2 LYS A 30 18.303 -4.375 -3.594 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.691 -3.986 -4.160 1.00 0.41 H new ATOM 0 HD2 LYS A 30 17.911 -6.111 -5.095 1.00 0.50 H new ATOM 0 HD3 LYS A 30 16.962 -5.112 -6.178 1.00 0.50 H new ATOM 0 HE2 LYS A 30 19.084 -5.680 -7.228 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.011 -3.954 -6.935 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 20.898 -4.117 -5.826 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.163 -5.127 -4.676 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 20.924 -5.802 -6.035 1.00 1.32 H new ATOM 504 N GLY A 31 19.646 -1.230 -2.317 1.00 0.39 N ATOM 505 CA GLY A 31 20.269 -1.380 -1.010 1.00 0.40 C ATOM 506 C GLY A 31 19.403 -0.827 0.100 1.00 0.38 C ATOM 507 O GLY A 31 19.271 -1.435 1.165 1.00 0.39 O ATOM 0 H GLY A 31 20.166 -0.652 -2.977 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.468 -2.435 -0.823 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.232 -0.869 -1.007 1.00 0.40 H new ATOM 511 N GLU A 32 18.806 0.324 -0.161 1.00 0.44 N ATOM 512 CA GLU A 32 17.941 0.984 0.801 1.00 0.50 C ATOM 513 C GLU A 32 16.653 0.195 0.986 1.00 0.42 C ATOM 514 O GLU A 32 16.166 0.017 2.105 1.00 0.44 O ATOM 515 CB GLU A 32 17.619 2.389 0.315 1.00 0.67 C ATOM 516 CG GLU A 32 18.852 3.244 0.071 1.00 0.96 C ATOM 517 CD GLU A 32 19.685 3.447 1.320 1.00 1.58 C ATOM 518 OE1 GLU A 32 20.579 2.616 1.587 1.00 2.10 O ATOM 519 OE2 GLU A 32 19.464 4.447 2.030 1.00 2.44 O ATOM 0 H GLU A 32 18.907 0.826 -1.043 1.00 0.44 H new ATOM 0 HA GLU A 32 18.456 1.039 1.760 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.044 2.322 -0.609 1.00 0.67 H new ATOM 0 HB3 GLU A 32 16.984 2.883 1.051 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.467 2.775 -0.697 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.544 4.215 -0.316 1.00 0.96 H new ATOM 526 N LEU A 33 16.118 -0.280 -0.130 1.00 0.38 N ATOM 527 CA LEU A 33 14.908 -1.077 -0.132 1.00 0.34 C ATOM 528 C LEU A 33 15.142 -2.363 0.644 1.00 0.29 C ATOM 529 O LEU A 33 14.390 -2.690 1.552 1.00 0.32 O ATOM 530 CB LEU A 33 14.515 -1.397 -1.570 1.00 0.34 C ATOM 531 CG LEU A 33 13.119 -1.986 -1.751 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.061 -0.953 -1.401 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.926 -2.491 -3.170 1.00 0.46 C ATOM 0 H LEU A 33 16.513 -0.122 -1.057 1.00 0.38 H new ATOM 0 HA LEU A 33 14.101 -0.519 0.344 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.585 -0.483 -2.160 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.242 -2.097 -1.980 1.00 0.34 H new ATOM 0 HG LEU A 33 13.013 -2.834 -1.074 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.070 -1.387 -1.535 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.184 -0.643 -0.363 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.169 -0.087 -2.054 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.924 -2.906 -3.275 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.052 -1.665 -3.870 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.664 -3.264 -3.384 1.00 0.46 H new ATOM 545 N LYS A 34 16.212 -3.061 0.285 1.00 0.29 N ATOM 546 CA LYS A 34 16.611 -4.300 0.939 1.00 0.31 C ATOM 547 C LYS A 34 16.733 -4.110 2.445 1.00 0.35 C ATOM 548 O LYS A 34 16.244 -4.933 3.220 1.00 0.41 O ATOM 549 CB LYS A 34 17.948 -4.777 0.364 1.00 0.34 C ATOM 550 CG LYS A 34 18.634 -5.839 1.208 1.00 0.53 C ATOM 551 CD LYS A 34 20.014 -6.176 0.677 1.00 0.85 C ATOM 552 CE LYS A 34 20.765 -7.076 1.643 1.00 1.30 C ATOM 553 NZ LYS A 34 22.132 -7.394 1.161 1.00 1.87 N ATOM 0 H LYS A 34 16.832 -2.780 -0.475 1.00 0.29 H new ATOM 0 HA LYS A 34 15.843 -5.051 0.753 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.782 -5.174 -0.638 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.615 -3.921 0.261 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.716 -5.489 2.237 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.021 -6.740 1.226 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.924 -6.670 -0.291 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.579 -5.258 0.515 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.828 -6.590 2.616 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.207 -8.001 1.785 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.609 -8.010 1.850 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 22.072 -7.881 0.244 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.675 -6.514 1.050 1.00 1.87 H new ATOM 567 N GLN A 35 17.388 -3.026 2.850 1.00 0.35 N ATOM 568 CA GLN A 35 17.526 -2.689 4.255 1.00 0.43 C ATOM 569 C GLN A 35 16.161 -2.661 4.920 1.00 0.43 C ATOM 570 O GLN A 35 15.907 -3.435 5.839 1.00 0.50 O ATOM 571 CB GLN A 35 18.235 -1.341 4.400 1.00 0.50 C ATOM 572 CG GLN A 35 18.489 -0.950 5.842 1.00 1.07 C ATOM 573 CD GLN A 35 19.191 0.386 5.976 1.00 1.68 C ATOM 574 OE1 GLN A 35 18.548 1.431 6.075 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.512 0.364 5.984 1.00 2.07 N ATOM 0 H GLN A 35 17.834 -2.363 2.215 1.00 0.35 H new ATOM 0 HA GLN A 35 18.130 -3.449 4.751 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.186 -1.379 3.868 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.633 -0.568 3.922 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.539 -0.911 6.375 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.092 -1.721 6.321 1.00 1.07 H new ATOM 0 HE21 GLN A 35 21.008 -0.523 5.900 1.00 2.07 H new ATOM 0 HE22 GLN A 35 21.036 1.234 6.075 1.00 2.07 H new ATOM 584 N LEU A 36 15.272 -1.812 4.416 1.00 0.38 N ATOM 585 CA LEU A 36 13.921 -1.706 4.947 1.00 0.39 C ATOM 586 C LEU A 36 13.240 -3.072 4.959 1.00 0.38 C ATOM 587 O LEU A 36 12.726 -3.507 5.975 1.00 0.45 O ATOM 588 CB LEU A 36 13.110 -0.711 4.106 1.00 0.36 C ATOM 589 CG LEU A 36 11.656 -0.498 4.537 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.194 0.892 4.151 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.743 -1.532 3.898 1.00 0.40 C ATOM 0 H LEU A 36 15.466 -1.184 3.636 1.00 0.38 H new ATOM 0 HA LEU A 36 13.974 -1.344 5.974 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.619 0.252 4.127 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.115 -1.052 3.071 1.00 0.36 H new ATOM 0 HG LEU A 36 11.606 -0.609 5.620 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.159 1.031 4.463 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.824 1.634 4.642 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.267 1.012 3.070 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.716 -1.359 4.220 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.802 -1.448 2.813 1.00 0.40 H new ATOM 0 HD23 LEU A 36 11.055 -2.531 4.202 1.00 0.40 H new ATOM 603 N LEU A 37 13.263 -3.741 3.822 1.00 0.34 N ATOM 604 CA LEU A 37 12.556 -5.004 3.641 1.00 0.35 C ATOM 605 C LEU A 37 13.005 -6.077 4.625 1.00 0.41 C ATOM 606 O LEU A 37 12.178 -6.704 5.286 1.00 0.45 O ATOM 607 CB LEU A 37 12.750 -5.491 2.209 1.00 0.34 C ATOM 608 CG LEU A 37 12.189 -4.553 1.144 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.496 -5.068 -0.250 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.694 -4.372 1.338 1.00 0.32 C ATOM 0 H LEU A 37 13.771 -3.428 2.995 1.00 0.34 H new ATOM 0 HA LEU A 37 11.500 -4.820 3.838 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.815 -5.632 2.027 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.276 -6.467 2.102 1.00 0.34 H new ATOM 0 HG LEU A 37 12.672 -3.582 1.252 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.085 -4.381 -0.990 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.576 -5.140 -0.382 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.048 -6.053 -0.381 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.306 -3.701 0.572 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.197 -5.339 1.258 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.504 -3.946 2.323 1.00 0.32 H new ATOM 622 N THR A 38 14.307 -6.270 4.733 1.00 0.45 N ATOM 623 CA THR A 38 14.854 -7.336 5.553 1.00 0.53 C ATOM 624 C THR A 38 14.579 -7.114 7.037 1.00 0.59 C ATOM 625 O THR A 38 14.433 -8.071 7.794 1.00 0.66 O ATOM 626 CB THR A 38 16.371 -7.488 5.330 1.00 0.55 C ATOM 627 OG1 THR A 38 17.021 -6.216 5.467 1.00 1.23 O ATOM 628 CG2 THR A 38 16.666 -8.062 3.953 1.00 1.03 C ATOM 0 H THR A 38 15.008 -5.700 4.261 1.00 0.45 H new ATOM 0 HA THR A 38 14.352 -8.253 5.244 1.00 0.53 H new ATOM 0 HB THR A 38 16.753 -8.176 6.084 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.847 -5.672 4.670 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.744 -8.159 3.822 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.200 -9.043 3.860 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.266 -7.396 3.188 1.00 1.03 H new ATOM 636 N LYS A 39 14.519 -5.857 7.457 1.00 0.58 N ATOM 637 CA LYS A 39 14.333 -5.550 8.867 1.00 0.66 C ATOM 638 C LYS A 39 12.873 -5.272 9.223 1.00 0.64 C ATOM 639 O LYS A 39 12.477 -5.391 10.382 1.00 0.72 O ATOM 640 CB LYS A 39 15.200 -4.364 9.268 1.00 0.72 C ATOM 641 CG LYS A 39 14.831 -3.070 8.566 1.00 0.68 C ATOM 642 CD LYS A 39 16.001 -2.096 8.520 1.00 0.73 C ATOM 643 CE LYS A 39 16.502 -1.758 9.914 1.00 0.87 C ATOM 644 NZ LYS A 39 17.664 -0.836 9.878 1.00 1.61 N ATOM 0 H LYS A 39 14.596 -5.042 6.848 1.00 0.58 H new ATOM 0 HA LYS A 39 14.638 -6.435 9.425 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.122 -4.217 10.345 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.242 -4.599 9.053 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.501 -3.289 7.551 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.991 -2.604 9.081 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.813 -2.529 7.936 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.695 -1.182 8.011 1.00 0.73 H new ATOM 0 HE2 LYS A 39 15.695 -1.303 10.489 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.783 -2.676 10.431 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 17.975 -0.631 10.849 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 18.443 -1.280 9.352 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 17.390 0.050 9.408 1.00 1.61 H new ATOM 658 N GLU A 40 12.080 -4.890 8.237 1.00 0.57 N ATOM 659 CA GLU A 40 10.706 -4.475 8.481 1.00 0.58 C ATOM 660 C GLU A 40 9.715 -5.553 8.094 1.00 0.56 C ATOM 661 O GLU A 40 8.792 -5.861 8.843 1.00 0.64 O ATOM 662 CB GLU A 40 10.402 -3.201 7.697 1.00 0.58 C ATOM 663 CG GLU A 40 11.076 -1.973 8.265 1.00 0.87 C ATOM 664 CD GLU A 40 10.457 -1.541 9.571 1.00 1.14 C ATOM 665 OE1 GLU A 40 9.385 -0.898 9.528 1.00 1.67 O ATOM 666 OE2 GLU A 40 11.018 -1.853 10.638 1.00 1.63 O ATOM 0 H GLU A 40 12.363 -4.858 7.258 1.00 0.57 H new ATOM 0 HA GLU A 40 10.603 -4.290 9.550 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.719 -3.335 6.663 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.324 -3.041 7.682 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.136 -2.179 8.417 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.009 -1.157 7.545 1.00 0.87 H new ATOM 673 N LEU A 41 9.908 -6.123 6.923 1.00 0.50 N ATOM 674 CA LEU A 41 8.954 -7.078 6.387 1.00 0.49 C ATOM 675 C LEU A 41 9.533 -8.478 6.461 1.00 0.52 C ATOM 676 O LEU A 41 9.109 -9.380 5.734 1.00 0.53 O ATOM 677 CB LEU A 41 8.599 -6.724 4.940 1.00 0.43 C ATOM 678 CG LEU A 41 8.304 -5.242 4.685 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.809 -5.030 3.265 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.293 -4.713 5.688 1.00 1.42 C ATOM 0 H LEU A 41 10.714 -5.944 6.324 1.00 0.50 H new ATOM 0 HA LEU A 41 8.042 -7.039 6.983 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.423 -7.030 4.295 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.728 -7.308 4.643 1.00 0.43 H new ATOM 0 HG LEU A 41 9.232 -4.685 4.811 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.605 -3.971 3.105 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.571 -5.364 2.560 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.895 -5.603 3.109 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.099 -3.659 5.488 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.364 -5.276 5.600 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.690 -4.823 6.697 1.00 1.42 H new ATOM 692 N ALA A 42 10.501 -8.635 7.364 1.00 0.58 N ATOM 693 CA ALA A 42 11.232 -9.892 7.549 1.00 0.64 C ATOM 694 C ALA A 42 10.314 -11.108 7.648 1.00 0.71 C ATOM 695 O ALA A 42 10.665 -12.196 7.193 1.00 0.78 O ATOM 696 CB ALA A 42 12.105 -9.810 8.788 1.00 0.71 C ATOM 0 H ALA A 42 10.803 -7.890 7.992 1.00 0.58 H new ATOM 0 HA ALA A 42 11.849 -10.027 6.661 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.644 -10.749 8.916 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.819 -8.994 8.677 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.480 -9.628 9.662 1.00 0.71 H new ATOM 702 N ASN A 43 9.144 -10.925 8.241 1.00 0.74 N ATOM 703 CA ASN A 43 8.211 -12.028 8.425 1.00 0.83 C ATOM 704 C ASN A 43 6.868 -11.717 7.767 1.00 0.83 C ATOM 705 O ASN A 43 5.804 -12.061 8.284 1.00 1.07 O ATOM 706 CB ASN A 43 8.028 -12.326 9.917 1.00 0.99 C ATOM 707 CG ASN A 43 7.292 -13.632 10.167 1.00 1.28 C ATOM 708 OD1 ASN A 43 7.360 -14.561 9.362 1.00 1.56 O ATOM 709 ND2 ASN A 43 6.588 -13.716 11.283 1.00 2.16 N ATOM 0 H ASN A 43 8.818 -10.028 8.602 1.00 0.74 H new ATOM 0 HA ASN A 43 8.625 -12.914 7.944 1.00 0.83 H new ATOM 0 HB2 ASN A 43 9.005 -12.366 10.398 1.00 0.99 H new ATOM 0 HB3 ASN A 43 7.477 -11.508 10.382 1.00 0.99 H new ATOM 0 HD21 ASN A 43 6.078 -14.572 11.501 1.00 2.16 H new ATOM 0 HD22 ASN A 43 6.555 -12.925 11.926 1.00 2.16 H new ATOM 716 N THR A 44 6.916 -11.031 6.638 1.00 0.65 N ATOM 717 CA THR A 44 5.714 -10.780 5.864 1.00 0.61 C ATOM 718 C THR A 44 5.854 -11.386 4.479 1.00 0.59 C ATOM 719 O THR A 44 5.128 -12.305 4.108 1.00 0.66 O ATOM 720 CB THR A 44 5.427 -9.275 5.736 1.00 0.56 C ATOM 721 OG1 THR A 44 5.514 -8.655 7.027 1.00 0.65 O ATOM 722 CG2 THR A 44 4.041 -9.044 5.148 1.00 0.53 C ATOM 0 H THR A 44 7.770 -10.640 6.239 1.00 0.65 H new ATOM 0 HA THR A 44 4.879 -11.243 6.390 1.00 0.61 H new ATOM 0 HB THR A 44 6.167 -8.834 5.069 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.332 -7.696 6.942 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.855 -7.973 5.065 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.984 -9.500 4.160 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.290 -9.493 5.798 1.00 0.53 H new ATOM 730 N ILE A 45 6.824 -10.881 3.738 1.00 0.52 N ATOM 731 CA ILE A 45 7.074 -11.334 2.384 1.00 0.52 C ATOM 732 C ILE A 45 7.961 -12.575 2.411 1.00 0.59 C ATOM 733 O ILE A 45 8.956 -12.605 3.139 1.00 0.60 O ATOM 734 CB ILE A 45 7.759 -10.222 1.566 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.914 -8.939 1.581 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.003 -10.687 0.135 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.539 -7.794 0.809 1.00 0.36 C ATOM 0 H ILE A 45 7.458 -10.148 4.057 1.00 0.52 H new ATOM 0 HA ILE A 45 6.122 -11.580 1.914 1.00 0.52 H new ATOM 0 HB ILE A 45 8.722 -10.001 2.026 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.931 -9.156 1.162 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.758 -8.628 2.614 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.487 -9.890 -0.429 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.645 -11.568 0.143 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.051 -10.936 -0.334 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.888 -6.921 0.862 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.509 -7.550 1.242 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.669 -8.086 -0.233 1.00 0.36 H new ATOM 749 N LYS A 46 7.582 -13.600 1.642 1.00 0.67 N ATOM 750 CA LYS A 46 8.333 -14.850 1.603 1.00 0.73 C ATOM 751 C LYS A 46 9.791 -14.594 1.298 1.00 0.68 C ATOM 752 O LYS A 46 10.114 -13.908 0.328 1.00 0.63 O ATOM 753 CB LYS A 46 7.748 -15.826 0.565 1.00 0.82 C ATOM 754 CG LYS A 46 7.979 -15.447 -0.898 1.00 0.79 C ATOM 755 CD LYS A 46 9.228 -16.121 -1.461 1.00 0.75 C ATOM 756 CE LYS A 46 9.395 -15.833 -2.943 1.00 0.88 C ATOM 757 NZ LYS A 46 8.299 -16.425 -3.758 1.00 1.61 N ATOM 0 H LYS A 46 6.759 -13.585 1.040 1.00 0.67 H new ATOM 0 HA LYS A 46 8.252 -15.306 2.590 1.00 0.73 H new ATOM 0 HB2 LYS A 46 8.176 -16.813 0.738 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.675 -15.910 0.735 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.111 -15.735 -1.491 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.079 -14.365 -0.983 1.00 0.79 H new ATOM 0 HD2 LYS A 46 10.107 -15.771 -0.920 1.00 0.75 H new ATOM 0 HD3 LYS A 46 9.164 -17.198 -1.303 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.421 -14.755 -3.101 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.352 -16.228 -3.283 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 8.546 -16.367 -4.767 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.167 -17.421 -3.490 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 7.417 -15.901 -3.587 1.00 1.61 H new ATOM 771 N ASN A 47 10.658 -15.124 2.152 1.00 0.71 N ATOM 772 CA ASN A 47 12.096 -15.056 1.934 1.00 0.67 C ATOM 773 C ASN A 47 12.537 -13.646 1.579 1.00 0.59 C ATOM 774 O ASN A 47 13.398 -13.464 0.725 1.00 0.57 O ATOM 775 CB ASN A 47 12.504 -16.010 0.813 1.00 0.69 C ATOM 776 CG ASN A 47 12.579 -17.456 1.254 1.00 0.92 C ATOM 777 OD1 ASN A 47 11.573 -18.164 1.281 1.00 1.48 O ATOM 778 ND2 ASN A 47 13.781 -17.913 1.565 1.00 1.24 N ATOM 0 H ASN A 47 10.387 -15.609 3.007 1.00 0.71 H new ATOM 0 HA ASN A 47 12.585 -15.348 2.863 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.790 -15.924 -0.006 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.475 -15.706 0.422 1.00 0.69 H new ATOM 0 HD21 ASN A 47 13.900 -18.888 1.841 1.00 1.24 H new ATOM 0 HD22 ASN A 47 14.588 -17.291 1.529 1.00 1.24 H new ATOM 785 N ILE A 48 11.952 -12.650 2.238 1.00 0.55 N ATOM 786 CA ILE A 48 12.287 -11.252 1.970 1.00 0.48 C ATOM 787 C ILE A 48 13.756 -10.987 2.301 1.00 0.48 C ATOM 788 O ILE A 48 14.308 -9.927 2.017 1.00 0.43 O ATOM 789 CB ILE A 48 11.393 -10.296 2.787 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.556 -8.852 2.308 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.718 -10.400 4.266 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.206 -8.652 0.851 1.00 0.38 C ATOM 0 H ILE A 48 11.245 -12.783 2.961 1.00 0.55 H new ATOM 0 HA ILE A 48 12.113 -11.066 0.910 1.00 0.48 H new ATOM 0 HB ILE A 48 10.355 -10.591 2.635 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.926 -8.203 2.916 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.587 -8.539 2.471 1.00 0.40 H new ATOM 0 HG21 ILE A 48 11.078 -9.719 4.828 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.547 -11.422 4.605 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.762 -10.134 4.429 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.346 -7.605 0.584 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.853 -9.274 0.233 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.166 -8.933 0.685 1.00 0.38 H new ATOM 804 N LYS A 49 14.372 -11.980 2.909 1.00 0.56 N ATOM 805 CA LYS A 49 15.769 -11.924 3.272 1.00 0.57 C ATOM 806 C LYS A 49 16.637 -12.337 2.090 1.00 0.55 C ATOM 807 O LYS A 49 17.852 -12.139 2.093 1.00 0.56 O ATOM 808 CB LYS A 49 16.013 -12.846 4.456 1.00 0.65 C ATOM 809 CG LYS A 49 15.091 -12.562 5.638 1.00 0.73 C ATOM 810 CD LYS A 49 15.223 -11.132 6.155 1.00 0.72 C ATOM 811 CE LYS A 49 16.192 -11.020 7.328 1.00 0.82 C ATOM 812 NZ LYS A 49 17.563 -11.502 6.999 1.00 1.11 N ATOM 0 H LYS A 49 13.912 -12.854 3.166 1.00 0.56 H new ATOM 0 HA LYS A 49 16.033 -10.903 3.549 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.877 -13.880 4.138 1.00 0.65 H new ATOM 0 HB3 LYS A 49 17.049 -12.746 4.779 1.00 0.65 H new ATOM 0 HG2 LYS A 49 14.058 -12.743 5.340 1.00 0.73 H new ATOM 0 HG3 LYS A 49 15.316 -13.259 6.445 1.00 0.73 H new ATOM 0 HD2 LYS A 49 15.563 -10.487 5.345 1.00 0.72 H new ATOM 0 HD3 LYS A 49 14.242 -10.769 6.462 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.246 -9.980 7.649 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.803 -11.594 8.169 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 18.211 -11.263 7.777 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 17.546 -12.533 6.867 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.890 -11.047 6.123 1.00 1.11 H new ATOM 826 N ASP A 50 15.998 -12.912 1.081 1.00 0.55 N ATOM 827 CA ASP A 50 16.688 -13.336 -0.125 1.00 0.56 C ATOM 828 C ASP A 50 16.788 -12.195 -1.106 1.00 0.50 C ATOM 829 O ASP A 50 15.795 -11.548 -1.430 1.00 0.47 O ATOM 830 CB ASP A 50 15.967 -14.509 -0.791 1.00 0.62 C ATOM 831 CG ASP A 50 16.425 -15.859 -0.276 1.00 0.97 C ATOM 832 OD1 ASP A 50 15.882 -16.340 0.741 1.00 1.58 O ATOM 833 OD2 ASP A 50 17.330 -16.455 -0.899 1.00 1.57 O ATOM 0 H ASP A 50 14.995 -13.096 1.076 1.00 0.55 H new ATOM 0 HA ASP A 50 17.689 -13.656 0.166 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.894 -14.409 -0.626 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.130 -14.463 -1.868 1.00 0.62 H new ATOM 838 N LYS A 51 17.995 -11.964 -1.591 1.00 0.50 N ATOM 839 CA LYS A 51 18.234 -10.925 -2.572 1.00 0.48 C ATOM 840 C LYS A 51 17.527 -11.273 -3.868 1.00 0.50 C ATOM 841 O LYS A 51 17.179 -10.399 -4.639 1.00 0.48 O ATOM 842 CB LYS A 51 19.723 -10.773 -2.836 1.00 0.53 C ATOM 843 CG LYS A 51 20.215 -9.328 -2.858 1.00 0.83 C ATOM 844 CD LYS A 51 19.522 -8.484 -3.923 1.00 0.60 C ATOM 845 CE LYS A 51 19.784 -9.004 -5.331 1.00 0.83 C ATOM 846 NZ LYS A 51 21.233 -9.071 -5.658 1.00 0.92 N ATOM 0 H LYS A 51 18.828 -12.486 -1.319 1.00 0.50 H new ATOM 0 HA LYS A 51 17.846 -9.984 -2.182 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.273 -11.320 -2.070 1.00 0.53 H new ATOM 0 HB3 LYS A 51 19.960 -11.239 -3.792 1.00 0.53 H new ATOM 0 HG2 LYS A 51 20.049 -8.878 -1.879 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.290 -9.318 -3.036 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.448 -8.475 -3.735 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.867 -7.453 -3.848 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.346 -9.997 -5.434 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.283 -8.358 -6.052 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.351 -9.266 -6.673 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.684 -8.163 -5.425 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.679 -9.831 -5.105 1.00 0.92 H new ATOM 860 N ALA A 52 17.318 -12.560 -4.101 1.00 0.55 N ATOM 861 CA ALA A 52 16.591 -13.003 -5.278 1.00 0.60 C ATOM 862 C ALA A 52 15.143 -12.588 -5.159 1.00 0.58 C ATOM 863 O ALA A 52 14.494 -12.226 -6.137 1.00 0.60 O ATOM 864 CB ALA A 52 16.685 -14.507 -5.428 1.00 0.67 C ATOM 0 H ALA A 52 17.641 -13.312 -3.492 1.00 0.55 H new ATOM 0 HA ALA A 52 17.033 -12.541 -6.161 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.134 -14.819 -6.315 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.731 -14.798 -5.529 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.258 -14.988 -4.548 1.00 0.67 H new ATOM 870 N VAL A 53 14.660 -12.626 -3.933 1.00 0.54 N ATOM 871 CA VAL A 53 13.295 -12.244 -3.627 1.00 0.53 C ATOM 872 C VAL A 53 13.170 -10.736 -3.684 1.00 0.47 C ATOM 873 O VAL A 53 12.237 -10.193 -4.275 1.00 0.48 O ATOM 874 CB VAL A 53 12.897 -12.753 -2.232 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.615 -12.097 -1.732 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.738 -14.261 -2.252 1.00 0.60 C ATOM 0 H VAL A 53 15.202 -12.922 -3.121 1.00 0.54 H new ATOM 0 HA VAL A 53 12.626 -12.692 -4.362 1.00 0.53 H new ATOM 0 HB VAL A 53 13.696 -12.482 -1.542 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.370 -12.485 -0.743 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.757 -11.018 -1.674 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.800 -12.319 -2.421 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.456 -14.610 -1.259 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.962 -14.536 -2.967 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.681 -14.722 -2.545 1.00 0.60 H new ATOM 886 N ILE A 54 14.140 -10.074 -3.080 1.00 0.42 N ATOM 887 CA ILE A 54 14.208 -8.626 -3.093 1.00 0.36 C ATOM 888 C ILE A 54 14.355 -8.090 -4.506 1.00 0.38 C ATOM 889 O ILE A 54 13.765 -7.076 -4.853 1.00 0.38 O ATOM 890 CB ILE A 54 15.380 -8.142 -2.244 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.103 -8.505 -0.794 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.599 -6.638 -2.408 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.221 -8.133 0.140 1.00 0.38 C ATOM 0 H ILE A 54 14.900 -10.524 -2.569 1.00 0.42 H new ATOM 0 HA ILE A 54 13.274 -8.251 -2.676 1.00 0.36 H new ATOM 0 HB ILE A 54 16.298 -8.629 -2.574 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.189 -8.007 -0.471 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.923 -9.578 -0.724 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.441 -6.323 -1.791 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.811 -6.413 -3.453 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.701 -6.104 -2.097 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.956 -8.421 1.157 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.132 -8.652 -0.158 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.387 -7.056 0.099 1.00 0.38 H new ATOM 905 N ASP A 55 15.136 -8.785 -5.316 1.00 0.43 N ATOM 906 CA ASP A 55 15.387 -8.365 -6.687 1.00 0.47 C ATOM 907 C ASP A 55 14.103 -8.465 -7.480 1.00 0.48 C ATOM 908 O ASP A 55 13.761 -7.573 -8.244 1.00 0.49 O ATOM 909 CB ASP A 55 16.458 -9.239 -7.332 1.00 0.55 C ATOM 910 CG ASP A 55 17.287 -8.480 -8.348 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.257 -7.806 -7.947 1.00 1.53 O ATOM 912 OD2 ASP A 55 16.990 -8.576 -9.556 1.00 1.44 O ATOM 0 H ASP A 55 15.610 -9.647 -5.047 1.00 0.43 H new ATOM 0 HA ASP A 55 15.742 -7.334 -6.681 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.113 -9.638 -6.557 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.983 -10.091 -7.818 1.00 0.55 H new ATOM 917 N GLU A 56 13.396 -9.564 -7.267 1.00 0.51 N ATOM 918 CA GLU A 56 12.079 -9.777 -7.849 1.00 0.54 C ATOM 919 C GLU A 56 11.166 -8.581 -7.586 1.00 0.47 C ATOM 920 O GLU A 56 10.508 -8.068 -8.495 1.00 0.49 O ATOM 921 CB GLU A 56 11.467 -11.039 -7.248 1.00 0.58 C ATOM 922 CG GLU A 56 11.989 -12.330 -7.854 1.00 0.69 C ATOM 923 CD GLU A 56 11.587 -12.493 -9.301 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.416 -12.840 -9.558 1.00 1.77 O ATOM 925 OE2 GLU A 56 12.437 -12.283 -10.189 1.00 1.66 O ATOM 0 H GLU A 56 13.720 -10.336 -6.684 1.00 0.51 H new ATOM 0 HA GLU A 56 12.184 -9.891 -8.928 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.661 -11.049 -6.176 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.385 -11.002 -7.376 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.076 -12.350 -7.778 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.613 -13.176 -7.278 1.00 0.69 H new ATOM 932 N ILE A 57 11.151 -8.129 -6.340 1.00 0.42 N ATOM 933 CA ILE A 57 10.309 -7.022 -5.937 1.00 0.39 C ATOM 934 C ILE A 57 10.831 -5.710 -6.501 1.00 0.36 C ATOM 935 O ILE A 57 10.101 -4.971 -7.153 1.00 0.37 O ATOM 936 CB ILE A 57 10.268 -6.926 -4.413 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.793 -8.247 -3.812 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.367 -5.786 -3.992 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.788 -8.259 -2.301 1.00 1.00 C ATOM 0 H ILE A 57 11.719 -8.519 -5.588 1.00 0.42 H new ATOM 0 HA ILE A 57 9.307 -7.202 -6.326 1.00 0.39 H new ATOM 0 HB ILE A 57 11.273 -6.727 -4.041 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.786 -8.459 -4.172 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.435 -9.051 -4.171 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.343 -5.724 -2.904 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.749 -4.850 -4.400 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.359 -5.961 -4.368 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.439 -9.229 -1.946 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.798 -8.079 -1.932 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.123 -7.478 -1.933 1.00 1.00 H new ATOM 951 N PHE A 58 12.105 -5.449 -6.244 1.00 0.35 N ATOM 952 CA PHE A 58 12.773 -4.237 -6.690 1.00 0.36 C ATOM 953 C PHE A 58 12.579 -4.032 -8.176 1.00 0.41 C ATOM 954 O PHE A 58 12.200 -2.957 -8.613 1.00 0.44 O ATOM 955 CB PHE A 58 14.266 -4.324 -6.377 1.00 0.38 C ATOM 956 CG PHE A 58 15.063 -3.152 -6.858 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.978 -1.937 -6.208 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.914 -3.271 -7.946 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.723 -0.859 -6.630 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.659 -2.194 -8.375 1.00 1.68 C ATOM 961 CZ PHE A 58 16.562 -0.987 -7.712 1.00 0.93 C ATOM 0 H PHE A 58 12.708 -6.079 -5.715 1.00 0.35 H new ATOM 0 HA PHE A 58 12.336 -3.390 -6.162 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.395 -4.419 -5.299 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.668 -5.232 -6.827 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.319 -1.831 -5.359 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.994 -4.216 -8.462 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.649 0.086 -6.112 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.316 -2.294 -9.226 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.146 -0.141 -8.044 1.00 0.93 H new ATOM 971 N GLN A 59 12.821 -5.081 -8.936 1.00 0.45 N ATOM 972 CA GLN A 59 12.691 -5.035 -10.380 1.00 0.52 C ATOM 973 C GLN A 59 11.232 -4.874 -10.784 1.00 0.52 C ATOM 974 O GLN A 59 10.924 -4.347 -11.854 1.00 0.57 O ATOM 975 CB GLN A 59 13.282 -6.306 -10.989 1.00 0.58 C ATOM 976 CG GLN A 59 14.803 -6.376 -10.905 1.00 0.61 C ATOM 977 CD GLN A 59 15.517 -5.584 -11.991 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.624 -5.940 -12.398 1.00 1.92 O ATOM 979 NE2 GLN A 59 14.902 -4.517 -12.481 1.00 1.63 N ATOM 0 H GLN A 59 13.113 -5.988 -8.572 1.00 0.45 H new ATOM 0 HA GLN A 59 13.240 -4.172 -10.758 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.859 -7.173 -10.481 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.981 -6.371 -12.035 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.121 -6.006 -9.930 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.113 -7.419 -10.966 1.00 0.61 H new ATOM 0 HE21 GLN A 59 13.986 -4.247 -12.123 1.00 1.63 H new ATOM 0 HE22 GLN A 59 15.345 -3.965 -13.216 1.00 1.63 H new ATOM 988 N GLY A 60 10.337 -5.325 -9.914 1.00 0.48 N ATOM 989 CA GLY A 60 8.920 -5.134 -10.139 1.00 0.49 C ATOM 990 C GLY A 60 8.523 -3.678 -10.011 1.00 0.47 C ATOM 991 O GLY A 60 7.616 -3.214 -10.702 1.00 0.53 O ATOM 0 H GLY A 60 10.570 -5.821 -9.054 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.657 -5.497 -11.133 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.354 -5.730 -9.423 1.00 0.49 H new ATOM 995 N LEU A 61 9.211 -2.952 -9.135 1.00 0.42 N ATOM 996 CA LEU A 61 8.933 -1.535 -8.936 1.00 0.44 C ATOM 997 C LEU A 61 9.789 -0.710 -9.886 1.00 0.51 C ATOM 998 O LEU A 61 9.329 0.269 -10.463 1.00 0.58 O ATOM 999 CB LEU A 61 9.209 -1.107 -7.484 1.00 0.39 C ATOM 1000 CG LEU A 61 9.248 -2.232 -6.454 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.840 -1.721 -5.154 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.853 -2.798 -6.221 1.00 0.35 C ATOM 0 H LEU A 61 9.963 -3.321 -8.553 1.00 0.42 H new ATOM 0 HA LEU A 61 7.877 -1.363 -9.143 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.163 -0.581 -7.456 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.442 -0.392 -7.184 1.00 0.39 H new ATOM 0 HG LEU A 61 9.878 -3.035 -6.837 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.865 -2.529 -4.423 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.853 -1.362 -5.332 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.228 -0.905 -4.771 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.904 -3.599 -5.483 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.196 -2.009 -5.855 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.459 -3.192 -7.158 1.00 0.35 H new ATOM 1014 N ASP A 62 11.035 -1.130 -10.052 1.00 0.50 N ATOM 1015 CA ASP A 62 11.975 -0.461 -10.943 1.00 0.59 C ATOM 1016 C ASP A 62 11.675 -0.832 -12.392 1.00 0.70 C ATOM 1017 O ASP A 62 12.430 -1.559 -13.040 1.00 0.75 O ATOM 1018 CB ASP A 62 13.420 -0.836 -10.581 1.00 0.57 C ATOM 1019 CG ASP A 62 14.444 -0.061 -11.393 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.261 1.162 -11.585 1.00 1.11 O ATOM 1021 OD2 ASP A 62 15.431 -0.671 -11.852 1.00 1.40 O ATOM 0 H ASP A 62 11.423 -1.943 -9.574 1.00 0.50 H new ATOM 0 HA ASP A 62 11.862 0.617 -10.826 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.585 -0.649 -9.520 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.566 -1.904 -10.743 1.00 0.57 H new ATOM 1026 N ALA A 63 10.554 -0.334 -12.890 1.00 0.78 N ATOM 1027 CA ALA A 63 10.121 -0.619 -14.248 1.00 0.94 C ATOM 1028 C ALA A 63 10.916 0.198 -15.256 1.00 1.12 C ATOM 1029 O ALA A 63 10.954 -0.123 -16.444 1.00 1.30 O ATOM 1030 CB ALA A 63 8.632 -0.344 -14.391 1.00 0.99 C ATOM 0 H ALA A 63 9.923 0.275 -12.368 1.00 0.78 H new ATOM 0 HA ALA A 63 10.304 -1.674 -14.453 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.318 -0.561 -15.412 1.00 0.99 H new ATOM 0 HB2 ALA A 63 8.077 -0.977 -13.699 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.432 0.703 -14.165 1.00 0.99 H new ATOM 1036 N ASN A 64 11.563 1.250 -14.774 1.00 1.09 N ATOM 1037 CA ASN A 64 12.365 2.107 -15.636 1.00 1.28 C ATOM 1038 C ASN A 64 13.779 1.553 -15.757 1.00 1.21 C ATOM 1039 O ASN A 64 14.561 1.981 -16.604 1.00 1.37 O ATOM 1040 CB ASN A 64 12.403 3.539 -15.088 1.00 1.34 C ATOM 1041 CG ASN A 64 12.898 4.552 -16.107 1.00 2.03 C ATOM 1042 OD1 ASN A 64 12.109 5.128 -16.858 1.00 2.55 O ATOM 1043 ND2 ASN A 64 14.202 4.784 -16.141 1.00 2.80 N ATOM 0 H ASN A 64 11.548 1.530 -13.793 1.00 1.09 H new ATOM 0 HA ASN A 64 11.908 2.128 -16.625 1.00 1.28 H new ATOM 0 HB2 ASN A 64 11.404 3.822 -14.758 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.049 3.569 -14.210 1.00 1.34 H new ATOM 0 HD21 ASN A 64 14.583 5.459 -16.805 1.00 2.80 H new ATOM 0 HD22 ASN A 64 14.825 4.288 -15.504 1.00 2.80 H new ATOM 1050 N GLN A 65 14.081 0.578 -14.896 1.00 1.03 N ATOM 1051 CA GLN A 65 15.397 -0.054 -14.842 1.00 1.05 C ATOM 1052 C GLN A 65 16.471 0.974 -14.516 1.00 1.04 C ATOM 1053 O GLN A 65 17.551 0.979 -15.103 1.00 1.17 O ATOM 1054 CB GLN A 65 15.715 -0.779 -16.154 1.00 1.31 C ATOM 1055 CG GLN A 65 14.760 -1.922 -16.459 1.00 1.37 C ATOM 1056 CD GLN A 65 15.120 -2.673 -17.725 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.247 -3.196 -18.418 1.00 2.72 O ATOM 1058 NE2 GLN A 65 16.406 -2.743 -18.033 1.00 2.57 N ATOM 0 H GLN A 65 13.417 0.206 -14.217 1.00 1.03 H new ATOM 0 HA GLN A 65 15.383 -0.798 -14.046 1.00 1.05 H new ATOM 0 HB2 GLN A 65 15.684 -0.061 -16.974 1.00 1.31 H new ATOM 0 HB3 GLN A 65 16.732 -1.168 -16.108 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.755 -2.617 -15.620 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.748 -1.528 -16.552 1.00 1.37 H new ATOM 0 HE21 GLN A 65 17.099 -2.296 -17.433 1.00 2.57 H new ATOM 0 HE22 GLN A 65 16.703 -3.244 -18.870 1.00 2.57 H new ATOM 1067 N ASP A 66 16.162 1.839 -13.562 1.00 0.93 N ATOM 1068 CA ASP A 66 17.074 2.902 -13.161 1.00 0.95 C ATOM 1069 C ASP A 66 17.810 2.499 -11.889 1.00 0.81 C ATOM 1070 O ASP A 66 18.783 3.134 -11.482 1.00 0.82 O ATOM 1071 CB ASP A 66 16.293 4.204 -12.939 1.00 1.06 C ATOM 1072 CG ASP A 66 17.180 5.369 -12.541 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.789 5.995 -13.434 1.00 1.89 O ATOM 1074 OD2 ASP A 66 17.261 5.676 -11.335 1.00 2.13 O ATOM 0 H ASP A 66 15.281 1.826 -13.048 1.00 0.93 H new ATOM 0 HA ASP A 66 17.806 3.065 -13.952 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.756 4.459 -13.853 1.00 1.06 H new ATOM 0 HB3 ASP A 66 15.544 4.044 -12.164 1.00 1.06 H new ATOM 1079 N GLU A 67 17.333 1.410 -11.290 1.00 0.73 N ATOM 1080 CA GLU A 67 17.864 0.886 -10.036 1.00 0.63 C ATOM 1081 C GLU A 67 17.631 1.850 -8.879 1.00 0.58 C ATOM 1082 O GLU A 67 18.399 1.880 -7.916 1.00 0.60 O ATOM 1083 CB GLU A 67 19.348 0.534 -10.152 1.00 0.68 C ATOM 1084 CG GLU A 67 19.602 -0.785 -10.857 1.00 0.97 C ATOM 1085 CD GLU A 67 21.073 -1.122 -10.931 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.623 -1.624 -9.929 1.00 2.01 O ATOM 1087 OE2 GLU A 67 21.687 -0.884 -11.993 1.00 2.02 O ATOM 0 H GLU A 67 16.559 0.862 -11.666 1.00 0.73 H new ATOM 0 HA GLU A 67 17.317 -0.033 -9.824 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.861 1.330 -10.691 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.783 0.493 -9.153 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.075 -1.582 -10.333 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.191 -0.741 -11.865 1.00 0.97 H new ATOM 1094 N GLN A 68 16.558 2.621 -8.970 1.00 0.61 N ATOM 1095 CA GLN A 68 16.170 3.527 -7.899 1.00 0.65 C ATOM 1096 C GLN A 68 14.662 3.516 -7.709 1.00 0.66 C ATOM 1097 O GLN A 68 13.905 3.818 -8.629 1.00 0.78 O ATOM 1098 CB GLN A 68 16.657 4.952 -8.172 1.00 0.85 C ATOM 1099 CG GLN A 68 18.148 5.142 -7.934 1.00 1.38 C ATOM 1100 CD GLN A 68 18.600 6.576 -8.128 1.00 1.63 C ATOM 1101 OE1 GLN A 68 19.531 7.037 -7.467 1.00 2.16 O ATOM 1102 NE2 GLN A 68 17.973 7.282 -9.054 1.00 2.07 N ATOM 0 H GLN A 68 15.937 2.637 -9.779 1.00 0.61 H new ATOM 0 HA GLN A 68 16.643 3.177 -6.982 1.00 0.65 H new ATOM 0 HB2 GLN A 68 16.426 5.215 -9.204 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.105 5.644 -7.536 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.392 4.824 -6.921 1.00 1.38 H new ATOM 0 HG3 GLN A 68 18.704 4.496 -8.614 1.00 1.38 H new ATOM 0 HE21 GLN A 68 17.206 6.865 -9.581 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.257 8.244 -9.241 1.00 2.07 H new ATOM 1111 N VAL A 69 14.239 3.148 -6.514 1.00 0.59 N ATOM 1112 CA VAL A 69 12.828 3.091 -6.174 1.00 0.64 C ATOM 1113 C VAL A 69 12.275 4.489 -5.918 1.00 0.64 C ATOM 1114 O VAL A 69 12.695 5.168 -4.983 1.00 0.68 O ATOM 1115 CB VAL A 69 12.594 2.236 -4.911 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.119 1.930 -4.730 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.404 0.955 -4.959 1.00 1.22 C ATOM 0 H VAL A 69 14.862 2.880 -5.752 1.00 0.59 H new ATOM 0 HA VAL A 69 12.313 2.638 -7.021 1.00 0.64 H new ATOM 0 HB VAL A 69 12.931 2.815 -4.051 1.00 0.72 H new ATOM 0 HG11 VAL A 69 10.980 1.326 -3.833 1.00 1.81 H new ATOM 0 HG12 VAL A 69 10.564 2.862 -4.629 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.752 1.381 -5.597 1.00 1.81 H new ATOM 0 HG21 VAL A 69 13.219 0.373 -4.056 1.00 1.22 H new ATOM 0 HG22 VAL A 69 13.112 0.372 -5.832 1.00 1.22 H new ATOM 0 HG23 VAL A 69 14.465 1.197 -5.023 1.00 1.22 H new ATOM 1127 N ASP A 70 11.350 4.930 -6.758 1.00 0.67 N ATOM 1128 CA ASP A 70 10.648 6.189 -6.518 1.00 0.73 C ATOM 1129 C ASP A 70 9.557 5.961 -5.478 1.00 0.64 C ATOM 1130 O ASP A 70 9.237 4.815 -5.180 1.00 0.56 O ATOM 1131 CB ASP A 70 10.040 6.729 -7.819 1.00 0.84 C ATOM 1132 CG ASP A 70 9.296 8.042 -7.637 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.938 9.110 -7.703 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.064 8.011 -7.430 1.00 2.02 O ATOM 0 H ASP A 70 11.067 4.441 -7.607 1.00 0.67 H new ATOM 0 HA ASP A 70 11.357 6.929 -6.147 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.834 6.868 -8.552 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.356 5.986 -8.228 1.00 0.84 H new ATOM 1139 N PHE A 71 8.988 7.025 -4.930 1.00 0.70 N ATOM 1140 CA PHE A 71 7.928 6.891 -3.932 1.00 0.66 C ATOM 1141 C PHE A 71 6.777 6.059 -4.491 1.00 0.55 C ATOM 1142 O PHE A 71 6.165 5.261 -3.784 1.00 0.48 O ATOM 1143 CB PHE A 71 7.398 8.263 -3.516 1.00 0.82 C ATOM 1144 CG PHE A 71 8.421 9.365 -3.595 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.491 9.402 -2.721 1.00 1.50 C ATOM 1146 CD2 PHE A 71 8.313 10.359 -4.556 1.00 1.92 C ATOM 1147 CE1 PHE A 71 10.434 10.409 -2.798 1.00 1.76 C ATOM 1148 CE2 PHE A 71 9.252 11.368 -4.639 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.315 11.392 -3.759 1.00 1.76 C ATOM 0 H PHE A 71 9.238 7.988 -5.156 1.00 0.70 H new ATOM 0 HA PHE A 71 8.350 6.392 -3.060 1.00 0.66 H new ATOM 0 HB2 PHE A 71 6.551 8.522 -4.151 1.00 0.82 H new ATOM 0 HB3 PHE A 71 7.023 8.202 -2.494 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.591 8.634 -1.968 1.00 1.50 H new ATOM 0 HD2 PHE A 71 7.484 10.344 -5.248 1.00 1.92 H new ATOM 0 HE1 PHE A 71 11.263 10.427 -2.107 1.00 1.76 H new ATOM 0 HE2 PHE A 71 9.155 12.137 -5.391 1.00 2.17 H new ATOM 0 HZ PHE A 71 11.052 12.179 -3.822 1.00 1.76 H new ATOM 1159 N GLN A 72 6.512 6.247 -5.776 1.00 0.59 N ATOM 1160 CA GLN A 72 5.443 5.544 -6.466 1.00 0.56 C ATOM 1161 C GLN A 72 5.784 4.067 -6.610 1.00 0.49 C ATOM 1162 O GLN A 72 4.934 3.196 -6.437 1.00 0.47 O ATOM 1163 CB GLN A 72 5.225 6.169 -7.846 1.00 0.69 C ATOM 1164 CG GLN A 72 4.134 5.503 -8.651 1.00 0.74 C ATOM 1165 CD GLN A 72 3.986 6.101 -10.037 1.00 1.08 C ATOM 1166 OE1 GLN A 72 4.954 6.583 -10.630 1.00 1.66 O ATOM 1167 NE2 GLN A 72 2.775 6.076 -10.563 1.00 1.66 N ATOM 0 H GLN A 72 7.034 6.892 -6.369 1.00 0.59 H new ATOM 0 HA GLN A 72 4.527 5.631 -5.881 1.00 0.56 H new ATOM 0 HB2 GLN A 72 4.980 7.224 -7.722 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.158 6.122 -8.407 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.351 4.438 -8.740 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.188 5.592 -8.118 1.00 0.74 H new ATOM 0 HE21 GLN A 72 2.000 5.668 -10.040 1.00 1.66 H new ATOM 0 HE22 GLN A 72 2.615 6.465 -11.492 1.00 1.66 H new ATOM 1176 N GLU A 73 7.038 3.798 -6.918 1.00 0.49 N ATOM 1177 CA GLU A 73 7.514 2.432 -7.067 1.00 0.46 C ATOM 1178 C GLU A 73 7.624 1.768 -5.697 1.00 0.36 C ATOM 1179 O GLU A 73 7.440 0.562 -5.553 1.00 0.32 O ATOM 1180 CB GLU A 73 8.860 2.426 -7.794 1.00 0.56 C ATOM 1181 CG GLU A 73 8.903 3.361 -9.000 1.00 0.78 C ATOM 1182 CD GLU A 73 7.864 3.040 -10.062 1.00 1.15 C ATOM 1183 OE1 GLU A 73 6.654 3.130 -9.773 1.00 1.82 O ATOM 1184 OE2 GLU A 73 8.251 2.712 -11.198 1.00 1.99 O ATOM 0 H GLU A 73 7.751 4.511 -7.071 1.00 0.49 H new ATOM 0 HA GLU A 73 6.803 1.862 -7.665 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.644 2.713 -7.093 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.082 1.411 -8.123 1.00 0.56 H new ATOM 0 HG2 GLU A 73 8.756 4.386 -8.659 1.00 0.78 H new ATOM 0 HG3 GLU A 73 9.895 3.314 -9.449 1.00 0.78 H new ATOM 1191 N PHE A 74 7.905 2.573 -4.687 1.00 0.37 N ATOM 1192 CA PHE A 74 7.891 2.107 -3.310 1.00 0.34 C ATOM 1193 C PHE A 74 6.460 1.837 -2.882 1.00 0.32 C ATOM 1194 O PHE A 74 6.198 1.047 -1.979 1.00 0.33 O ATOM 1195 CB PHE A 74 8.540 3.146 -2.393 1.00 0.43 C ATOM 1196 CG PHE A 74 8.637 2.706 -0.959 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.659 1.866 -0.546 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.704 3.129 -0.024 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.748 1.458 0.771 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.788 2.725 1.293 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.810 1.888 1.692 1.00 1.89 C ATOM 0 H PHE A 74 8.147 3.558 -4.795 1.00 0.37 H new ATOM 0 HA PHE A 74 8.464 1.183 -3.236 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.540 3.371 -2.764 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.966 4.071 -2.442 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.394 1.527 -1.261 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.901 3.783 -0.331 1.00 1.44 H new ATOM 0 HE1 PHE A 74 10.549 0.804 1.081 1.00 1.77 H new ATOM 0 HE2 PHE A 74 7.055 3.063 2.010 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.877 1.569 2.722 1.00 1.89 H new ATOM 1211 N ILE A 75 5.535 2.480 -3.564 1.00 0.33 N ATOM 1212 CA ILE A 75 4.128 2.259 -3.322 1.00 0.35 C ATOM 1213 C ILE A 75 3.737 0.878 -3.828 1.00 0.34 C ATOM 1214 O ILE A 75 2.990 0.150 -3.172 1.00 0.36 O ATOM 1215 CB ILE A 75 3.281 3.362 -3.988 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.988 4.467 -2.980 1.00 0.49 C ATOM 1217 CG2 ILE A 75 1.998 2.803 -4.570 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.452 5.714 -3.618 1.00 0.67 C ATOM 0 H ILE A 75 5.736 3.163 -4.294 1.00 0.33 H new ATOM 0 HA ILE A 75 3.935 2.304 -2.250 1.00 0.35 H new ATOM 0 HB ILE A 75 3.852 3.781 -4.816 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.268 4.102 -2.248 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.902 4.707 -2.436 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.426 3.608 -5.031 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.237 2.051 -5.322 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.407 2.347 -3.776 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.263 6.464 -2.850 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.181 6.100 -4.330 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.522 5.486 -4.138 1.00 0.67 H new ATOM 1230 N SER A 76 4.277 0.505 -4.981 1.00 0.34 N ATOM 1231 CA SER A 76 4.089 -0.836 -5.485 1.00 0.36 C ATOM 1232 C SER A 76 4.847 -1.838 -4.617 1.00 0.31 C ATOM 1233 O SER A 76 4.492 -3.002 -4.561 1.00 0.33 O ATOM 1234 CB SER A 76 4.497 -0.933 -6.953 1.00 0.45 C ATOM 1235 OG SER A 76 5.613 -0.111 -7.243 1.00 0.74 O ATOM 0 H SER A 76 4.843 1.111 -5.575 1.00 0.34 H new ATOM 0 HA SER A 76 3.029 -1.083 -5.432 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.735 -1.968 -7.197 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.657 -0.642 -7.584 1.00 0.45 H new ATOM 0 HG SER A 76 6.302 -0.241 -6.558 1.00 0.74 H new ATOM 1241 N LEU A 77 5.878 -1.380 -3.914 1.00 0.28 N ATOM 1242 CA LEU A 77 6.559 -2.227 -2.939 1.00 0.26 C ATOM 1243 C LEU A 77 5.563 -2.642 -1.866 1.00 0.23 C ATOM 1244 O LEU A 77 5.443 -3.822 -1.531 1.00 0.23 O ATOM 1245 CB LEU A 77 7.760 -1.482 -2.318 1.00 0.30 C ATOM 1246 CG LEU A 77 8.520 -2.198 -1.182 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.817 -2.035 0.161 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.708 -3.669 -1.512 1.00 1.15 C ATOM 0 H LEU A 77 6.258 -0.437 -3.999 1.00 0.28 H new ATOM 0 HA LEU A 77 6.946 -3.118 -3.435 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.471 -1.263 -3.115 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.404 -0.525 -1.936 1.00 0.30 H new ATOM 0 HG LEU A 77 9.500 -1.729 -1.096 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.384 -2.554 0.934 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.749 -0.976 0.410 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.814 -2.459 0.101 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.246 -4.158 -0.700 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.734 -4.141 -1.638 1.00 1.15 H new ATOM 0 HD23 LEU A 77 9.280 -3.765 -2.435 1.00 1.15 H new ATOM 1260 N VAL A 78 4.838 -1.663 -1.349 1.00 0.24 N ATOM 1261 CA VAL A 78 3.822 -1.922 -0.346 1.00 0.25 C ATOM 1262 C VAL A 78 2.737 -2.799 -0.939 1.00 0.27 C ATOM 1263 O VAL A 78 2.129 -3.590 -0.244 1.00 0.28 O ATOM 1264 CB VAL A 78 3.178 -0.625 0.172 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.369 -0.909 1.423 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.233 0.448 0.424 1.00 0.31 C ATOM 0 H VAL A 78 4.936 -0.681 -1.609 1.00 0.24 H new ATOM 0 HA VAL A 78 4.310 -2.420 0.492 1.00 0.25 H new ATOM 0 HB VAL A 78 2.503 -0.242 -0.593 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.917 0.016 1.782 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.585 -1.631 1.193 1.00 0.33 H new ATOM 0 HG13 VAL A 78 3.023 -1.317 2.194 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.750 1.354 0.790 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.945 0.091 1.168 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.759 0.667 -0.505 1.00 0.31 H new ATOM 1276 N ALA A 79 2.508 -2.647 -2.233 1.00 0.31 N ATOM 1277 CA ALA A 79 1.556 -3.480 -2.952 1.00 0.35 C ATOM 1278 C ALA A 79 1.943 -4.954 -2.850 1.00 0.33 C ATOM 1279 O ALA A 79 1.128 -5.806 -2.495 1.00 0.33 O ATOM 1280 CB ALA A 79 1.504 -3.053 -4.409 1.00 0.43 C ATOM 0 H ALA A 79 2.973 -1.948 -2.812 1.00 0.31 H new ATOM 0 HA ALA A 79 0.571 -3.354 -2.503 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.790 -3.678 -4.946 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.192 -2.010 -4.472 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.492 -3.164 -4.856 1.00 0.43 H new ATOM 1286 N ILE A 80 3.203 -5.233 -3.162 1.00 0.32 N ATOM 1287 CA ILE A 80 3.762 -6.581 -3.067 1.00 0.32 C ATOM 1288 C ILE A 80 3.631 -7.109 -1.643 1.00 0.28 C ATOM 1289 O ILE A 80 3.324 -8.278 -1.424 1.00 0.31 O ATOM 1290 CB ILE A 80 5.260 -6.588 -3.491 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.420 -6.612 -5.020 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.996 -7.773 -2.881 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.637 -5.551 -5.758 1.00 0.40 C ATOM 0 H ILE A 80 3.868 -4.532 -3.488 1.00 0.32 H new ATOM 0 HA ILE A 80 3.202 -7.228 -3.743 1.00 0.32 H new ATOM 0 HB ILE A 80 5.699 -5.664 -3.115 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.477 -6.498 -5.262 1.00 0.38 H new ATOM 0 HG13 ILE A 80 5.113 -7.591 -5.388 1.00 0.38 H new ATOM 0 HG21 ILE A 80 7.040 -7.753 -3.194 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.942 -7.715 -1.794 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.534 -8.701 -3.218 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.813 -5.648 -6.829 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.574 -5.675 -5.553 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.958 -4.564 -5.425 1.00 0.40 H new ATOM 1305 N ALA A 81 3.841 -6.224 -0.688 1.00 0.23 N ATOM 1306 CA ALA A 81 3.829 -6.582 0.716 1.00 0.23 C ATOM 1307 C ALA A 81 2.403 -6.802 1.233 1.00 0.23 C ATOM 1308 O ALA A 81 2.153 -7.694 2.044 1.00 0.28 O ATOM 1309 CB ALA A 81 4.547 -5.507 1.503 1.00 0.24 C ATOM 0 H ALA A 81 4.025 -5.236 -0.864 1.00 0.23 H new ATOM 0 HA ALA A 81 4.351 -7.530 0.846 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.543 -5.767 2.561 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.576 -5.426 1.153 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.039 -4.553 1.362 1.00 0.24 H new ATOM 1315 N LEU A 82 1.474 -5.989 0.750 1.00 0.22 N ATOM 1316 CA LEU A 82 0.059 -6.164 1.049 1.00 0.23 C ATOM 1317 C LEU A 82 -0.422 -7.473 0.450 1.00 0.24 C ATOM 1318 O LEU A 82 -1.267 -8.170 1.016 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.758 -5.006 0.476 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.509 -3.640 1.117 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.213 -2.564 0.321 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.983 -3.628 2.560 1.00 0.31 C ATOM 0 H LEU A 82 1.677 -5.194 0.144 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.074 -6.181 2.131 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.548 -4.930 -0.591 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.816 -5.247 0.577 1.00 0.25 H new ATOM 0 HG LEU A 82 0.563 -3.442 1.112 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.032 -1.593 0.782 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -0.831 -2.558 -0.700 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.284 -2.765 0.306 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.796 -2.647 2.996 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.051 -3.843 2.594 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.442 -4.386 3.127 1.00 0.31 H new ATOM 1334 N LYS A 83 0.130 -7.802 -0.707 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.162 -9.063 -1.351 1.00 0.33 C ATOM 1336 C LYS A 83 0.564 -10.206 -0.668 1.00 0.31 C ATOM 1337 O LYS A 83 0.170 -11.351 -0.799 1.00 0.44 O ATOM 1338 CB LYS A 83 0.180 -9.018 -2.837 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.030 -8.721 -3.690 1.00 0.66 C ATOM 1340 CD LYS A 83 -0.995 -9.434 -5.024 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.353 -9.337 -5.690 1.00 0.80 C ATOM 1342 NZ LYS A 83 -2.603 -7.985 -6.241 1.00 1.67 N ATOM 0 H LYS A 83 0.784 -7.208 -1.217 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.234 -9.238 -1.258 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.941 -8.257 -3.010 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.610 -9.973 -3.139 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.930 -9.014 -3.150 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -1.095 -7.646 -3.859 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -0.233 -8.991 -5.664 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.723 -10.480 -4.881 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.418 -10.073 -6.491 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.130 -9.584 -4.967 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -3.484 -7.604 -5.841 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -1.811 -7.358 -5.994 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.689 -8.042 -7.276 1.00 1.67 H new ATOM 1356 N ALA A 84 1.618 -9.896 0.064 1.00 0.31 N ATOM 1357 CA ALA A 84 2.288 -10.899 0.876 1.00 0.35 C ATOM 1358 C ALA A 84 1.407 -11.274 2.054 1.00 0.33 C ATOM 1359 O ALA A 84 1.521 -12.361 2.615 1.00 0.40 O ATOM 1360 CB ALA A 84 3.634 -10.392 1.353 1.00 0.48 C ATOM 0 H ALA A 84 2.028 -8.963 0.114 1.00 0.31 H new ATOM 0 HA ALA A 84 2.463 -11.787 0.268 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.118 -11.158 1.959 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.261 -10.160 0.492 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.493 -9.492 1.952 1.00 0.48 H new ATOM 1366 N ALA A 85 0.535 -10.352 2.428 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.462 -10.615 3.450 1.00 0.38 C ATOM 1368 C ALA A 85 -1.682 -11.330 2.865 1.00 0.44 C ATOM 1369 O ALA A 85 -2.037 -12.425 3.300 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.876 -9.319 4.124 1.00 0.43 C ATOM 0 H ALA A 85 0.499 -9.411 2.036 1.00 0.30 H new ATOM 0 HA ALA A 85 -0.017 -11.274 4.196 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -1.624 -9.529 4.888 1.00 0.43 H new ATOM 0 HB2 ALA A 85 -0.005 -8.855 4.587 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -1.297 -8.641 3.381 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.320 -10.720 1.868 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.564 -11.265 1.318 1.00 0.59 C ATOM 1378 C HIS A 86 -3.296 -12.350 0.277 1.00 0.63 C ATOM 1379 O HIS A 86 -3.727 -13.491 0.427 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.421 -10.160 0.694 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.844 -10.579 0.467 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.785 -10.622 1.471 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.477 -10.995 -0.651 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.931 -11.046 0.980 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.774 -11.282 -0.308 1.00 2.68 N ATOM 0 H HIS A 86 -2.002 -9.857 1.427 1.00 0.44 H new ATOM 0 HA HIS A 86 -4.106 -11.712 2.151 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.405 -9.285 1.344 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -3.981 -9.859 -0.257 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.042 -11.085 -1.635 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.846 -11.178 1.538 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.496 -11.621 -0.943 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.557 -11.986 -0.758 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.272 -12.873 -1.888 1.00 0.65 C ATOM 1396 C TYR A 87 -1.087 -13.787 -1.556 1.00 0.62 C ATOM 1397 O TYR A 87 -0.350 -14.202 -2.443 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.009 -12.064 -3.165 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.122 -12.879 -4.437 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.346 -13.398 -4.839 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.011 -13.133 -5.230 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -3.460 -14.145 -5.993 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.117 -13.881 -6.388 1.00 1.80 C ATOM 1404 CZ TYR A 87 -2.344 -14.384 -6.764 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.458 -15.128 -7.916 1.00 1.52 O ATOM 0 H TYR A 87 -2.133 -11.062 -0.844 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.146 -13.498 -2.070 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.715 -11.235 -3.211 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.011 -11.629 -3.110 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.224 -13.213 -4.238 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.048 -12.740 -4.938 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.420 -14.541 -6.291 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.244 -14.070 -6.994 1.00 1.80 H new ATOM 0 HH TYR A 87 -1.580 -15.204 -8.345 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.865 -13.953 -0.246 1.00 0.59 N ATOM 1416 CA HIS A 88 0.249 -14.713 0.372 1.00 0.62 C ATOM 1417 C HIS A 88 0.524 -16.122 -0.214 1.00 0.69 C ATOM 1418 O HIS A 88 1.140 -16.954 0.448 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.037 -14.845 1.879 1.00 0.65 C ATOM 1420 CG HIS A 88 -1.284 -15.618 2.216 1.00 1.54 C ATOM 1421 ND1 HIS A 88 -2.386 -15.043 2.806 1.00 2.37 N ATOM 1422 CD2 HIS A 88 -1.592 -16.928 2.052 1.00 2.40 C ATOM 1423 CE1 HIS A 88 -3.317 -15.962 2.986 1.00 3.25 C ATOM 1424 NE2 HIS A 88 -2.860 -17.113 2.536 1.00 3.26 N ATOM 0 H HIS A 88 -1.484 -13.544 0.454 1.00 0.59 H new ATOM 0 HA HIS A 88 1.150 -14.141 0.153 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.815 -15.330 2.356 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.117 -13.847 2.309 1.00 0.65 H new ATOM 0 HD1 HIS A 88 -2.471 -14.060 3.064 1.00 2.37 H new ATOM 0 HD2 HIS A 88 -0.955 -17.686 1.620 1.00 2.40 H new ATOM 0 HE1 HIS A 88 -4.289 -15.798 3.427 1.00 3.25 H new ATOM 1433 N THR A 89 0.069 -16.390 -1.417 1.00 0.73 N ATOM 1434 CA THR A 89 0.231 -17.684 -2.050 1.00 0.81 C ATOM 1435 C THR A 89 1.701 -17.958 -2.383 1.00 0.72 C ATOM 1436 O THR A 89 2.214 -19.051 -2.135 1.00 1.05 O ATOM 1437 CB THR A 89 -0.619 -17.737 -3.334 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.085 -16.839 -4.317 1.00 1.26 O ATOM 1439 CG2 THR A 89 -2.049 -17.329 -3.025 1.00 0.89 C ATOM 0 H THR A 89 -0.429 -15.710 -1.991 1.00 0.73 H new ATOM 0 HA THR A 89 -0.104 -18.453 -1.355 1.00 0.81 H new ATOM 0 HB THR A 89 -0.600 -18.756 -3.720 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.594 -17.303 -4.850 1.00 1.26 H new ATOM 0 HG21 THR A 89 -2.644 -17.369 -3.937 1.00 0.89 H new ATOM 0 HG22 THR A 89 -2.471 -18.011 -2.287 1.00 0.89 H new ATOM 0 HG23 THR A 89 -2.060 -16.314 -2.629 1.00 0.89 H new ATOM 1447 N HIS A 90 2.374 -16.956 -2.942 1.00 0.65 N ATOM 1448 CA HIS A 90 3.790 -17.075 -3.292 1.00 0.64 C ATOM 1449 C HIS A 90 4.558 -15.858 -2.813 1.00 0.93 C ATOM 1450 O HIS A 90 5.687 -15.609 -3.236 1.00 1.77 O ATOM 1451 CB HIS A 90 3.964 -17.252 -4.804 1.00 0.91 C ATOM 1452 CG HIS A 90 3.381 -18.528 -5.331 1.00 1.72 C ATOM 1453 ND1 HIS A 90 2.193 -18.585 -6.030 1.00 2.44 N ATOM 1454 CD2 HIS A 90 3.826 -19.804 -5.249 1.00 2.68 C ATOM 1455 CE1 HIS A 90 1.935 -19.837 -6.353 1.00 3.33 C ATOM 1456 NE2 HIS A 90 2.908 -20.596 -5.893 1.00 3.47 N ATOM 0 H HIS A 90 1.962 -16.050 -3.164 1.00 0.65 H new ATOM 0 HA HIS A 90 4.190 -17.959 -2.795 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.497 -16.411 -5.316 1.00 0.91 H new ATOM 0 HB3 HIS A 90 5.027 -17.221 -5.045 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.733 -20.137 -4.767 1.00 2.68 H new ATOM 0 HE1 HIS A 90 1.071 -20.182 -6.902 1.00 3.33 H new ATOM 0 HE2 HIS A 90 2.970 -21.609 -5.998 1.00 3.47 H new ATOM 1465 N LYS A 91 3.934 -15.105 -1.926 1.00 0.91 N ATOM 1466 CA LYS A 91 4.581 -13.969 -1.298 1.00 1.63 C ATOM 1467 C LYS A 91 4.652 -14.201 0.207 1.00 2.59 C ATOM 1468 O LYS A 91 4.872 -13.281 0.984 1.00 3.47 O ATOM 1469 CB LYS A 91 3.837 -12.670 -1.637 1.00 1.09 C ATOM 1470 CG LYS A 91 3.882 -12.320 -3.118 1.00 1.28 C ATOM 1471 CD LYS A 91 3.061 -11.078 -3.435 1.00 0.87 C ATOM 1472 CE LYS A 91 2.929 -10.864 -4.936 1.00 0.78 C ATOM 1473 NZ LYS A 91 4.252 -10.818 -5.617 1.00 1.28 N ATOM 0 H LYS A 91 2.973 -15.262 -1.623 1.00 0.91 H new ATOM 0 HA LYS A 91 5.596 -13.867 -1.681 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.797 -12.763 -1.324 1.00 1.09 H new ATOM 0 HB3 LYS A 91 4.271 -11.851 -1.064 1.00 1.09 H new ATOM 0 HG2 LYS A 91 4.916 -12.158 -3.421 1.00 1.28 H new ATOM 0 HG3 LYS A 91 3.507 -13.161 -3.701 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.070 -11.173 -2.992 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.531 -10.205 -2.982 1.00 0.87 H new ATOM 0 HE2 LYS A 91 2.330 -11.667 -5.364 1.00 0.78 H new ATOM 0 HE3 LYS A 91 2.394 -9.933 -5.123 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 4.128 -10.488 -6.595 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 4.882 -10.165 -5.109 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 4.672 -11.769 -5.623 1.00 1.28 H new ATOM 1487 N GLU A 92 4.490 -15.465 0.588 1.00 2.69 N ATOM 1488 CA GLU A 92 4.539 -15.893 1.983 1.00 3.81 C ATOM 1489 C GLU A 92 4.925 -17.369 2.039 1.00 4.36 C ATOM 1490 O GLU A 92 4.092 -18.215 1.657 1.00 4.92 O ATOM 1491 CB GLU A 92 3.181 -15.668 2.660 1.00 4.66 C ATOM 1492 CG GLU A 92 3.026 -16.320 4.033 1.00 5.75 C ATOM 1493 CD GLU A 92 3.986 -15.786 5.081 1.00 6.58 C ATOM 1494 OE1 GLU A 92 3.643 -14.800 5.764 1.00 7.00 O ATOM 1495 OE2 GLU A 92 5.074 -16.373 5.254 1.00 7.09 O ATOM 1496 OXT GLU A 92 6.059 -17.680 2.445 1.00 4.64 O ATOM 0 H GLU A 92 4.320 -16.227 -0.068 1.00 2.69 H new ATOM 0 HA GLU A 92 5.284 -15.303 2.517 1.00 3.81 H new ATOM 0 HB2 GLU A 92 3.017 -14.595 2.764 1.00 4.66 H new ATOM 0 HB3 GLU A 92 2.398 -16.048 2.004 1.00 4.66 H new ATOM 0 HG2 GLU A 92 2.004 -16.171 4.381 1.00 5.75 H new ATOM 0 HG3 GLU A 92 3.175 -17.395 3.932 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 11.821 -3.666 12.502 1.00 4.70 N ATOM 1505 CA MET B 1 10.582 -4.372 12.916 1.00 4.22 C ATOM 1506 C MET B 1 9.506 -3.374 13.339 1.00 3.60 C ATOM 1507 O MET B 1 8.716 -3.643 14.246 1.00 4.04 O ATOM 1508 CB MET B 1 10.871 -5.326 14.080 1.00 4.51 C ATOM 1509 CG MET B 1 11.825 -6.459 13.736 1.00 5.00 C ATOM 1510 SD MET B 1 11.203 -7.527 12.425 1.00 5.79 S ATOM 1511 CE MET B 1 12.516 -8.741 12.336 1.00 6.42 C ATOM 0 H1 MET B 1 12.439 -4.324 11.986 1.00 4.70 H new ATOM 0 H2 MET B 1 11.575 -2.866 11.885 1.00 4.70 H new ATOM 0 H3 MET B 1 12.318 -3.313 13.345 1.00 4.70 H new ATOM 0 HA MET B 1 10.222 -4.944 12.060 1.00 4.22 H new ATOM 0 HB2 MET B 1 11.288 -4.754 14.909 1.00 4.51 H new ATOM 0 HB3 MET B 1 9.930 -5.752 14.428 1.00 4.51 H new ATOM 0 HG2 MET B 1 12.784 -6.040 13.432 1.00 5.00 H new ATOM 0 HG3 MET B 1 12.008 -7.057 14.629 1.00 5.00 H new ATOM 0 HE1 MET B 1 12.126 -9.668 11.916 1.00 6.42 H new ATOM 0 HE2 MET B 1 13.318 -8.364 11.701 1.00 6.42 H new ATOM 0 HE3 MET B 1 12.904 -8.931 13.337 1.00 6.42 H new ATOM 1523 N THR B 2 9.469 -2.231 12.672 1.00 3.07 N ATOM 1524 CA THR B 2 8.540 -1.172 13.021 1.00 2.91 C ATOM 1525 C THR B 2 7.181 -1.417 12.374 1.00 2.45 C ATOM 1526 O THR B 2 6.154 -1.444 13.047 1.00 3.04 O ATOM 1527 CB THR B 2 9.075 0.197 12.570 1.00 3.67 C ATOM 1528 OG1 THR B 2 10.505 0.223 12.687 1.00 4.26 O ATOM 1529 CG2 THR B 2 8.475 1.315 13.409 1.00 4.23 C ATOM 0 H THR B 2 10.076 -2.014 11.882 1.00 3.07 H new ATOM 0 HA THR B 2 8.430 -1.172 14.105 1.00 2.91 H new ATOM 0 HB THR B 2 8.790 0.351 11.529 1.00 3.67 H new ATOM 0 HG1 THR B 2 10.902 -0.302 11.961 1.00 4.26 H new ATOM 0 HG21 THR B 2 8.868 2.274 13.072 1.00 4.23 H new ATOM 0 HG22 THR B 2 7.390 1.309 13.301 1.00 4.23 H new ATOM 0 HG23 THR B 2 8.736 1.164 14.456 1.00 4.23 H new ATOM 1537 N LYS B 3 7.182 -1.613 11.061 1.00 2.16 N ATOM 1538 CA LYS B 3 5.945 -1.854 10.331 1.00 2.53 C ATOM 1539 C LYS B 3 5.705 -3.351 10.158 1.00 2.08 C ATOM 1540 O LYS B 3 4.873 -3.758 9.343 1.00 2.81 O ATOM 1541 CB LYS B 3 5.973 -1.163 8.961 1.00 3.53 C ATOM 1542 CG LYS B 3 6.836 -1.870 7.930 1.00 4.29 C ATOM 1543 CD LYS B 3 6.792 -1.170 6.580 1.00 5.37 C ATOM 1544 CE LYS B 3 7.549 0.144 6.610 1.00 5.97 C ATOM 1545 NZ LYS B 3 8.973 -0.059 6.976 1.00 6.04 N ATOM 0 H LYS B 3 8.022 -1.610 10.483 1.00 2.16 H new ATOM 0 HA LYS B 3 5.126 -1.433 10.913 1.00 2.53 H new ATOM 0 HB2 LYS B 3 4.954 -1.093 8.580 1.00 3.53 H new ATOM 0 HB3 LYS B 3 6.337 -0.143 9.087 1.00 3.53 H new ATOM 0 HG2 LYS B 3 7.866 -1.911 8.285 1.00 4.29 H new ATOM 0 HG3 LYS B 3 6.497 -2.900 7.817 1.00 4.29 H new ATOM 0 HD2 LYS B 3 7.220 -1.821 5.818 1.00 5.37 H new ATOM 0 HD3 LYS B 3 5.755 -0.987 6.297 1.00 5.37 H new ATOM 0 HE2 LYS B 3 7.488 0.623 5.633 1.00 5.97 H new ATOM 0 HE3 LYS B 3 7.080 0.819 7.326 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 9.556 0.674 6.524 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 9.078 0.003 8.009 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 9.284 -0.997 6.652 1.00 6.04 H new ATOM 1559 N LEU B 4 6.436 -4.145 10.941 1.00 1.61 N ATOM 1560 CA LEU B 4 6.409 -5.606 10.853 1.00 1.98 C ATOM 1561 C LEU B 4 4.983 -6.148 10.862 1.00 1.51 C ATOM 1562 O LEU B 4 4.358 -6.219 11.918 1.00 2.03 O ATOM 1563 CB LEU B 4 7.202 -6.214 12.015 1.00 3.02 C ATOM 1564 CG LEU B 4 7.216 -7.745 12.077 1.00 3.80 C ATOM 1565 CD1 LEU B 4 7.943 -8.330 10.875 1.00 4.50 C ATOM 1566 CD2 LEU B 4 7.856 -8.215 13.373 1.00 4.44 C ATOM 0 H LEU B 4 7.068 -3.790 11.659 1.00 1.61 H new ATOM 0 HA LEU B 4 6.868 -5.889 9.905 1.00 1.98 H new ATOM 0 HB2 LEU B 4 8.231 -5.861 11.953 1.00 3.02 H new ATOM 0 HB3 LEU B 4 6.791 -5.834 12.950 1.00 3.02 H new ATOM 0 HG LEU B 4 6.185 -8.099 12.051 1.00 3.80 H new ATOM 0 HD11 LEU B 4 7.940 -9.418 10.942 1.00 4.50 H new ATOM 0 HD12 LEU B 4 7.439 -8.021 9.959 1.00 4.50 H new ATOM 0 HD13 LEU B 4 8.972 -7.971 10.862 1.00 4.50 H new ATOM 0 HD21 LEU B 4 7.859 -9.305 13.403 1.00 4.44 H new ATOM 0 HD22 LEU B 4 8.881 -7.848 13.427 1.00 4.44 H new ATOM 0 HD23 LEU B 4 7.288 -7.830 14.220 1.00 4.44 H new ATOM 1578 N GLU B 5 4.504 -6.498 9.657 1.00 1.20 N ATOM 1579 CA GLU B 5 3.174 -7.084 9.385 1.00 0.94 C ATOM 1580 C GLU B 5 1.987 -6.212 9.836 1.00 0.69 C ATOM 1581 O GLU B 5 0.991 -6.136 9.128 1.00 0.69 O ATOM 1582 CB GLU B 5 3.041 -8.520 9.931 1.00 1.39 C ATOM 1583 CG GLU B 5 2.887 -8.638 11.438 1.00 1.80 C ATOM 1584 CD GLU B 5 2.635 -10.060 11.883 1.00 2.48 C ATOM 1585 OE1 GLU B 5 1.462 -10.487 11.893 1.00 3.00 O ATOM 1586 OE2 GLU B 5 3.606 -10.762 12.223 1.00 3.10 O ATOM 0 H GLU B 5 5.054 -6.376 8.807 1.00 1.20 H new ATOM 0 HA GLU B 5 3.118 -7.125 8.297 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.179 -8.991 9.458 1.00 1.39 H new ATOM 0 HB3 GLU B 5 3.921 -9.088 9.628 1.00 1.39 H new ATOM 0 HG2 GLU B 5 3.788 -8.263 11.923 1.00 1.80 H new ATOM 0 HG3 GLU B 5 2.062 -8.006 11.767 1.00 1.80 H new ATOM 1593 N GLU B 6 2.097 -5.546 10.978 1.00 0.68 N ATOM 1594 CA GLU B 6 1.002 -4.755 11.543 1.00 0.67 C ATOM 1595 C GLU B 6 0.446 -3.767 10.515 1.00 0.54 C ATOM 1596 O GLU B 6 -0.764 -3.621 10.364 1.00 0.60 O ATOM 1597 CB GLU B 6 1.507 -4.004 12.783 1.00 0.78 C ATOM 1598 CG GLU B 6 0.449 -3.750 13.853 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.637 -2.786 13.419 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -0.346 -1.581 13.277 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -1.784 -3.232 13.218 1.00 2.48 O ATOM 0 H GLU B 6 2.947 -5.536 11.542 1.00 0.68 H new ATOM 0 HA GLU B 6 0.193 -5.429 11.826 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.324 -4.573 13.227 1.00 0.78 H new ATOM 0 HB3 GLU B 6 1.921 -3.046 12.467 1.00 0.78 H new ATOM 0 HG2 GLU B 6 -0.010 -4.699 14.130 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.935 -3.358 14.746 1.00 1.06 H new ATOM 1608 N HIS B 7 1.337 -3.122 9.775 1.00 0.42 N ATOM 1609 CA HIS B 7 0.926 -2.106 8.816 1.00 0.38 C ATOM 1610 C HIS B 7 0.325 -2.757 7.575 1.00 0.35 C ATOM 1611 O HIS B 7 -0.813 -2.465 7.211 1.00 0.39 O ATOM 1612 CB HIS B 7 2.107 -1.199 8.439 1.00 0.43 C ATOM 1613 CG HIS B 7 2.584 -0.332 9.568 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.689 1.040 9.476 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.997 -0.653 10.819 1.00 1.60 C ATOM 1616 CE1 HIS B 7 3.148 1.519 10.621 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.341 0.512 11.450 1.00 2.03 N ATOM 0 H HIS B 7 2.343 -3.283 9.819 1.00 0.42 H new ATOM 0 HA HIS B 7 0.162 -1.484 9.282 1.00 0.38 H new ATOM 0 HB2 HIS B 7 2.934 -1.819 8.094 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.814 -0.564 7.603 1.00 0.43 H new ATOM 0 HD2 HIS B 7 3.046 -1.646 11.240 1.00 1.60 H new ATOM 0 HE1 HIS B 7 3.333 2.560 10.840 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.690 0.589 12.405 1.00 2.03 H new ATOM 1626 N LEU B 8 1.085 -3.654 6.956 1.00 0.34 N ATOM 1627 CA LEU B 8 0.652 -4.353 5.746 1.00 0.33 C ATOM 1628 C LEU B 8 -0.587 -5.206 6.005 1.00 0.34 C ATOM 1629 O LEU B 8 -1.648 -4.986 5.418 1.00 0.34 O ATOM 1630 CB LEU B 8 1.781 -5.254 5.260 1.00 0.33 C ATOM 1631 CG LEU B 8 3.120 -4.547 5.055 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.195 -5.549 4.702 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.004 -3.479 3.980 1.00 0.33 C ATOM 0 H LEU B 8 2.017 -3.918 7.276 1.00 0.34 H new ATOM 0 HA LEU B 8 0.402 -3.606 4.993 1.00 0.33 H new ATOM 0 HB2 LEU B 8 1.918 -6.061 5.979 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.481 -5.714 4.318 1.00 0.33 H new ATOM 0 HG LEU B 8 3.399 -4.058 5.988 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.143 -5.030 4.559 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.296 -6.274 5.510 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.922 -6.066 3.782 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.968 -2.988 3.850 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.702 -3.940 3.040 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.259 -2.742 4.278 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.449 -6.156 6.917 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.490 -7.137 7.178 1.00 0.40 C ATOM 1647 C GLU B 9 -2.664 -6.473 7.886 1.00 0.40 C ATOM 1648 O GLU B 9 -3.800 -6.908 7.757 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.912 -8.289 8.015 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.709 -9.588 7.964 1.00 1.24 C ATOM 1651 CD GLU B 9 -2.885 -9.617 8.921 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -2.717 -9.210 10.090 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -3.973 -10.079 8.521 1.00 2.41 O ATOM 0 H GLU B 9 0.384 -6.268 7.495 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.855 -7.547 6.236 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.104 -8.490 7.675 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.842 -7.964 9.053 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.074 -9.741 6.948 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -1.045 -10.421 8.193 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.382 -5.401 8.611 1.00 0.41 N ATOM 1661 CA GLY B 10 -3.428 -4.668 9.295 1.00 0.43 C ATOM 1662 C GLY B 10 -4.375 -3.976 8.334 1.00 0.39 C ATOM 1663 O GLY B 10 -5.584 -3.934 8.564 1.00 0.44 O ATOM 0 H GLY B 10 -1.443 -5.024 8.738 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.993 -5.353 9.927 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.976 -3.926 9.953 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.832 -3.432 7.247 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.664 -2.813 6.224 1.00 0.33 C ATOM 1669 C ILE B 11 -5.518 -3.885 5.554 1.00 0.33 C ATOM 1670 O ILE B 11 -6.718 -3.702 5.326 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.810 -2.080 5.163 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -3.041 -0.927 5.813 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.686 -1.563 4.027 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -2.090 -0.219 4.873 1.00 1.16 C ATOM 0 H ILE B 11 -2.831 -3.408 7.055 1.00 0.34 H new ATOM 0 HA ILE B 11 -5.303 -2.072 6.704 1.00 0.33 H new ATOM 0 HB ILE B 11 -3.095 -2.788 4.744 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.755 -0.203 6.206 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.477 -1.312 6.663 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -4.065 -1.051 3.292 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -5.196 -2.400 3.551 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.425 -0.868 4.425 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.583 0.585 5.406 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -1.352 -0.929 4.499 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.649 0.198 4.035 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.881 -5.017 5.291 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.528 -6.175 4.684 1.00 0.38 C ATOM 1688 C VAL B 12 -6.609 -6.755 5.608 1.00 0.40 C ATOM 1689 O VAL B 12 -7.643 -7.250 5.150 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.462 -7.244 4.355 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.092 -8.530 3.866 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.492 -6.705 3.317 1.00 0.48 C ATOM 0 H VAL B 12 -3.892 -5.160 5.494 1.00 0.33 H new ATOM 0 HA VAL B 12 -6.019 -5.860 3.764 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.921 -7.472 5.273 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.310 -9.257 3.645 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.751 -8.929 4.637 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.669 -8.332 2.963 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.743 -7.464 3.090 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.037 -6.449 2.408 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.999 -5.815 3.707 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.370 -6.670 6.907 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.312 -7.159 7.910 1.00 0.49 C ATOM 1704 C ASN B 13 -8.615 -6.368 7.877 1.00 0.48 C ATOM 1705 O ASN B 13 -9.704 -6.944 7.931 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.680 -7.080 9.304 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.660 -7.390 10.419 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.314 -6.495 10.951 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.760 -8.654 10.791 1.00 1.42 N ATOM 0 H ASN B 13 -5.521 -6.262 7.298 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.545 -8.198 7.679 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.845 -7.778 9.358 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.271 -6.081 9.455 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.397 -8.915 11.544 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.201 -9.368 10.325 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.511 -5.050 7.768 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.700 -4.207 7.734 1.00 0.57 C ATOM 1718 C ILE B 14 -10.426 -4.373 6.401 1.00 0.53 C ATOM 1719 O ILE B 14 -11.631 -4.137 6.301 1.00 0.61 O ATOM 1720 CB ILE B 14 -9.368 -2.719 7.973 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -8.508 -2.556 9.230 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -10.651 -1.905 8.104 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -9.172 -3.060 10.495 1.00 2.06 C ATOM 0 H ILE B 14 -7.627 -4.546 7.702 1.00 0.48 H new ATOM 0 HA ILE B 14 -10.350 -4.531 8.547 1.00 0.57 H new ATOM 0 HB ILE B 14 -8.804 -2.350 7.116 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.568 -3.089 9.087 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -8.261 -1.502 9.356 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -10.402 -0.857 8.272 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -11.235 -1.996 7.188 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -11.235 -2.279 8.945 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -8.502 -2.911 11.342 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -10.098 -2.510 10.664 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -9.394 -4.122 10.391 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.685 -4.792 5.384 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.281 -5.174 4.111 1.00 0.59 C ATOM 1737 C PHE B 15 -11.262 -6.323 4.338 1.00 0.61 C ATOM 1738 O PHE B 15 -12.371 -6.335 3.804 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.180 -5.587 3.126 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.688 -6.159 1.834 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -9.979 -5.333 0.764 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.872 -7.525 1.692 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -10.444 -5.857 -0.424 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.337 -8.053 0.508 1.00 2.54 C ATOM 1745 CZ PHE B 15 -10.625 -7.218 -0.551 1.00 2.58 C ATOM 0 H PHE B 15 -8.669 -4.876 5.416 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.821 -4.328 3.687 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.561 -4.717 2.906 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.536 -6.323 3.607 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -9.841 -4.266 0.860 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.648 -8.183 2.519 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -10.666 -5.202 -1.254 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.476 -9.119 0.409 1.00 2.54 H new ATOM 0 HZ PHE B 15 -10.992 -7.630 -1.479 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.843 -7.269 5.166 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.677 -8.404 5.537 1.00 0.72 C ATOM 1757 C HIS B 16 -12.798 -7.964 6.483 1.00 0.75 C ATOM 1758 O HIS B 16 -13.822 -8.633 6.601 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.811 -9.483 6.201 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.560 -10.716 6.605 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.983 -10.948 7.894 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.948 -11.795 5.884 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.597 -12.114 7.951 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.591 -12.649 6.745 1.00 2.23 N ATOM 0 H HIS B 16 -9.919 -7.272 5.598 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.135 -8.815 4.637 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -10.014 -9.766 5.513 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.334 -9.057 7.084 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.782 -11.954 4.829 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -13.031 -12.556 8.835 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.998 -13.550 6.494 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.590 -6.834 7.150 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.543 -6.336 8.137 1.00 0.82 C ATOM 1775 C GLN B 17 -14.851 -5.866 7.497 1.00 0.93 C ATOM 1776 O GLN B 17 -15.923 -6.364 7.851 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.922 -5.200 8.958 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.882 -4.578 9.964 1.00 1.27 C ATOM 1779 CD GLN B 17 -14.419 -5.584 10.965 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -13.739 -6.542 11.333 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -15.650 -5.380 11.402 1.00 2.77 N ATOM 0 H GLN B 17 -11.768 -6.244 7.025 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.783 -7.170 8.796 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -12.050 -5.582 9.489 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.568 -4.424 8.279 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.372 -3.777 10.499 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -14.716 -4.123 9.430 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -16.181 -4.574 11.073 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -16.069 -6.029 12.068 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.783 -4.910 6.564 1.00 0.85 N ATOM 1791 CA TYR B 18 -16.003 -4.334 6.004 1.00 1.08 C ATOM 1792 C TYR B 18 -16.795 -5.368 5.202 1.00 1.34 C ATOM 1793 O TYR B 18 -18.014 -5.270 5.085 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.706 -3.085 5.159 1.00 1.22 C ATOM 1795 CG TYR B 18 -14.890 -3.318 3.905 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -15.473 -3.837 2.760 1.00 3.25 C ATOM 1797 CD2 TYR B 18 -13.545 -2.987 3.857 1.00 3.14 C ATOM 1798 CE1 TYR B 18 -14.742 -4.021 1.604 1.00 4.48 C ATOM 1799 CE2 TYR B 18 -12.805 -3.172 2.704 1.00 4.38 C ATOM 1800 CZ TYR B 18 -13.410 -3.689 1.582 1.00 4.93 C ATOM 1801 OH TYR B 18 -12.685 -3.864 0.429 1.00 6.25 O ATOM 0 H TYR B 18 -13.915 -4.528 6.189 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.624 -4.021 6.844 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -16.654 -2.628 4.874 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -15.180 -2.363 5.784 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -16.520 -4.103 2.773 1.00 3.25 H new ATOM 0 HD2 TYR B 18 -13.067 -2.578 4.735 1.00 3.14 H new ATOM 0 HE1 TYR B 18 -15.215 -4.424 0.721 1.00 4.48 H new ATOM 0 HE2 TYR B 18 -11.757 -2.912 2.684 1.00 4.38 H new ATOM 0 HH TYR B 18 -11.925 -4.456 0.607 1.00 6.25 H new ATOM 1811 N SER B 19 -16.103 -6.360 4.661 1.00 1.32 N ATOM 1812 CA SER B 19 -16.762 -7.450 3.962 1.00 1.78 C ATOM 1813 C SER B 19 -16.331 -8.791 4.538 1.00 1.86 C ATOM 1814 O SER B 19 -15.448 -9.460 3.996 1.00 2.32 O ATOM 1815 CB SER B 19 -16.464 -7.398 2.463 1.00 2.38 C ATOM 1816 OG SER B 19 -17.117 -6.298 1.847 1.00 3.02 O ATOM 0 H SER B 19 -15.086 -6.431 4.693 1.00 1.32 H new ATOM 0 HA SER B 19 -17.837 -7.338 4.101 1.00 1.78 H new ATOM 0 HB2 SER B 19 -15.388 -7.320 2.306 1.00 2.38 H new ATOM 0 HB3 SER B 19 -16.788 -8.326 1.993 1.00 2.38 H new ATOM 0 HG SER B 19 -16.473 -5.573 1.705 1.00 3.02 H new ATOM 1822 N VAL B 20 -16.951 -9.173 5.646 1.00 2.11 N ATOM 1823 CA VAL B 20 -16.666 -10.455 6.273 1.00 2.49 C ATOM 1824 C VAL B 20 -17.151 -11.595 5.387 1.00 2.64 C ATOM 1825 O VAL B 20 -18.196 -11.500 4.741 1.00 3.25 O ATOM 1826 CB VAL B 20 -17.309 -10.574 7.675 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -16.695 -9.563 8.630 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -18.819 -10.394 7.605 1.00 4.12 C ATOM 0 H VAL B 20 -17.654 -8.613 6.129 1.00 2.11 H new ATOM 0 HA VAL B 20 -15.585 -10.520 6.397 1.00 2.49 H new ATOM 0 HB VAL B 20 -17.108 -11.577 8.053 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -17.159 -9.661 9.611 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -15.624 -9.747 8.715 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -16.861 -8.555 8.249 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -19.243 -10.483 8.605 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -19.050 -9.409 7.199 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -19.247 -11.161 6.960 1.00 4.12 H new ATOM 1838 N ARG B 21 -16.384 -12.669 5.355 1.00 2.81 N ATOM 1839 CA ARG B 21 -16.679 -13.790 4.480 1.00 3.56 C ATOM 1840 C ARG B 21 -17.596 -14.779 5.188 1.00 3.97 C ATOM 1841 O ARG B 21 -18.093 -15.728 4.585 1.00 4.56 O ATOM 1842 CB ARG B 21 -15.374 -14.458 4.049 1.00 4.19 C ATOM 1843 CG ARG B 21 -15.491 -15.300 2.791 1.00 4.83 C ATOM 1844 CD ARG B 21 -14.116 -15.660 2.258 1.00 5.37 C ATOM 1845 NE ARG B 21 -13.322 -14.463 1.979 1.00 5.88 N ATOM 1846 CZ ARG B 21 -12.067 -14.279 2.386 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -11.432 -15.230 3.062 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -11.445 -13.138 2.122 1.00 7.28 N ATOM 0 H ARG B 21 -15.548 -12.789 5.927 1.00 2.81 H new ATOM 0 HA ARG B 21 -17.195 -13.433 3.589 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -14.620 -13.687 3.888 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -15.016 -15.089 4.863 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -16.053 -16.209 3.006 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -16.049 -14.753 2.031 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -13.594 -16.284 2.984 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -14.220 -16.250 1.347 1.00 5.37 H new ATOM 0 HE ARG B 21 -13.759 -13.719 1.436 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -11.905 -16.109 3.273 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -10.471 -15.082 3.370 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -11.928 -12.401 1.607 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -10.484 -12.997 2.434 1.00 7.28 H new ATOM 1862 N LYS B 22 -17.813 -14.544 6.477 1.00 4.14 N ATOM 1863 CA LYS B 22 -18.769 -15.321 7.253 1.00 4.91 C ATOM 1864 C LYS B 22 -20.172 -15.099 6.701 1.00 5.05 C ATOM 1865 O LYS B 22 -20.992 -16.017 6.646 1.00 5.59 O ATOM 1866 CB LYS B 22 -18.700 -14.919 8.727 1.00 5.69 C ATOM 1867 CG LYS B 22 -19.667 -15.673 9.621 1.00 6.45 C ATOM 1868 CD LYS B 22 -19.533 -15.240 11.072 1.00 7.33 C ATOM 1869 CE LYS B 22 -20.546 -15.943 11.956 1.00 8.20 C ATOM 1870 NZ LYS B 22 -20.411 -15.554 13.385 1.00 8.71 N ATOM 0 H LYS B 22 -17.336 -13.816 7.009 1.00 4.14 H new ATOM 0 HA LYS B 22 -18.523 -16.380 7.176 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -17.685 -15.081 9.090 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -18.902 -13.851 8.811 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -20.688 -15.501 9.281 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -19.480 -16.744 9.540 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -18.526 -15.458 11.427 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -19.671 -14.161 11.145 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -21.553 -15.707 11.611 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -20.421 -17.022 11.862 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -21.123 -16.059 13.951 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -19.460 -15.802 13.724 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -20.556 -14.529 13.481 1.00 8.71 H new ATOM 1884 N GLY B 23 -20.429 -13.869 6.283 1.00 4.89 N ATOM 1885 CA GLY B 23 -21.667 -13.554 5.608 1.00 5.27 C ATOM 1886 C GLY B 23 -21.436 -13.406 4.122 1.00 5.26 C ATOM 1887 O GLY B 23 -21.230 -12.297 3.630 1.00 5.68 O ATOM 0 H GLY B 23 -19.795 -13.078 6.401 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -22.399 -14.341 5.792 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -22.083 -12.631 6.011 1.00 5.27 H new ATOM 1891 N HIS B 24 -21.445 -14.534 3.416 1.00 5.16 N ATOM 1892 CA HIS B 24 -21.127 -14.563 1.988 1.00 5.45 C ATOM 1893 C HIS B 24 -21.952 -13.552 1.197 1.00 5.00 C ATOM 1894 O HIS B 24 -23.181 -13.495 1.313 1.00 5.43 O ATOM 1895 CB HIS B 24 -21.317 -15.972 1.407 1.00 6.30 C ATOM 1896 CG HIS B 24 -22.716 -16.508 1.495 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -23.626 -16.413 0.464 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -23.355 -17.154 2.498 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -24.760 -16.974 0.829 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -24.624 -17.433 2.058 1.00 8.17 N ATOM 0 H HIS B 24 -21.671 -15.447 3.812 1.00 5.16 H new ATOM 0 HA HIS B 24 -20.078 -14.283 1.894 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -21.012 -15.962 0.360 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -20.648 -16.657 1.927 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -22.943 -17.403 3.465 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -25.652 -17.046 0.224 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -25.345 -17.917 2.594 1.00 8.17 H new ATOM 1909 N PHE B 25 -21.250 -12.760 0.402 1.00 4.49 N ATOM 1910 CA PHE B 25 -21.856 -11.738 -0.439 1.00 4.32 C ATOM 1911 C PHE B 25 -20.796 -11.224 -1.398 1.00 3.72 C ATOM 1912 O PHE B 25 -21.051 -11.047 -2.591 1.00 3.96 O ATOM 1913 CB PHE B 25 -22.415 -10.589 0.411 1.00 4.90 C ATOM 1914 CG PHE B 25 -23.183 -9.563 -0.377 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -24.346 -9.913 -1.046 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -22.746 -8.251 -0.445 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -25.056 -8.974 -1.768 1.00 7.10 C ATOM 1918 CE2 PHE B 25 -23.453 -7.307 -1.165 1.00 7.09 C ATOM 1919 CZ PHE B 25 -24.609 -7.669 -1.827 1.00 7.50 C ATOM 0 H PHE B 25 -20.234 -12.808 0.321 1.00 4.49 H new ATOM 0 HA PHE B 25 -22.690 -12.166 -0.995 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -23.066 -11.003 1.181 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -21.590 -10.095 0.924 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -24.701 -10.932 -1.002 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -21.842 -7.962 0.071 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -25.960 -9.260 -2.286 1.00 7.10 H new ATOM 0 HE2 PHE B 25 -23.101 -6.287 -1.210 1.00 7.09 H new ATOM 0 HZ PHE B 25 -25.163 -6.933 -2.390 1.00 7.50 H new ATOM 1929 N ASP B 26 -19.608 -10.988 -0.839 1.00 3.50 N ATOM 1930 CA ASP B 26 -18.386 -10.730 -1.605 1.00 3.49 C ATOM 1931 C ASP B 26 -18.601 -9.700 -2.706 1.00 3.06 C ATOM 1932 O ASP B 26 -18.281 -9.940 -3.871 1.00 3.62 O ATOM 1933 CB ASP B 26 -17.849 -12.035 -2.201 1.00 4.40 C ATOM 1934 CG ASP B 26 -17.491 -13.058 -1.141 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -18.410 -13.742 -0.633 1.00 5.49 O ATOM 1936 OD2 ASP B 26 -16.291 -13.196 -0.820 1.00 5.62 O ATOM 0 H ASP B 26 -19.465 -10.970 0.171 1.00 3.50 H new ATOM 0 HA ASP B 26 -17.652 -10.317 -0.913 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -18.597 -12.459 -2.871 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -16.967 -11.819 -2.804 1.00 4.40 H new ATOM 1941 N THR B 27 -19.146 -8.557 -2.337 1.00 2.56 N ATOM 1942 CA THR B 27 -19.344 -7.474 -3.280 1.00 2.53 C ATOM 1943 C THR B 27 -18.567 -6.247 -2.822 1.00 1.72 C ATOM 1944 O THR B 27 -19.089 -5.390 -2.109 1.00 2.30 O ATOM 1945 CB THR B 27 -20.839 -7.136 -3.437 1.00 3.34 C ATOM 1946 OG1 THR B 27 -21.568 -8.332 -3.747 1.00 3.84 O ATOM 1947 CG2 THR B 27 -21.058 -6.110 -4.540 1.00 3.95 C ATOM 0 H THR B 27 -19.460 -8.354 -1.388 1.00 2.56 H new ATOM 0 HA THR B 27 -18.973 -7.793 -4.254 1.00 2.53 H new ATOM 0 HB THR B 27 -21.195 -6.712 -2.498 1.00 3.34 H new ATOM 0 HG1 THR B 27 -22.302 -8.443 -3.107 1.00 3.84 H new ATOM 0 HG21 THR B 27 -22.122 -5.891 -4.627 1.00 3.95 H new ATOM 0 HG22 THR B 27 -20.518 -5.195 -4.298 1.00 3.95 H new ATOM 0 HG23 THR B 27 -20.691 -6.508 -5.486 1.00 3.95 H new ATOM 1955 N LEU B 28 -17.306 -6.193 -3.223 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.396 -5.137 -2.797 1.00 0.90 C ATOM 1957 C LEU B 28 -16.577 -3.894 -3.661 1.00 0.71 C ATOM 1958 O LEU B 28 -15.656 -3.461 -4.348 1.00 0.76 O ATOM 1959 CB LEU B 28 -14.955 -5.639 -2.898 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.682 -6.976 -2.205 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.321 -7.513 -2.610 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.762 -6.824 -0.695 1.00 2.37 C ATOM 0 H LEU B 28 -16.884 -6.877 -3.851 1.00 1.15 H new ATOM 0 HA LEU B 28 -16.619 -4.872 -1.763 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.693 -5.734 -3.952 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.293 -4.885 -2.472 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.446 -7.687 -2.519 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.141 -8.464 -2.109 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -13.295 -7.661 -3.690 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -12.548 -6.800 -2.323 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.565 -7.786 -0.222 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -14.021 -6.097 -0.363 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -15.758 -6.480 -0.416 1.00 2.37 H new ATOM 1974 N SER B 29 -17.764 -3.321 -3.625 1.00 0.61 N ATOM 1975 CA SER B 29 -18.075 -2.184 -4.468 1.00 0.48 C ATOM 1976 C SER B 29 -17.645 -0.870 -3.816 1.00 0.44 C ATOM 1977 O SER B 29 -16.992 -0.875 -2.768 1.00 0.53 O ATOM 1978 CB SER B 29 -19.565 -2.172 -4.780 1.00 0.55 C ATOM 1979 OG SER B 29 -20.334 -2.201 -3.590 1.00 1.35 O ATOM 0 H SER B 29 -18.528 -3.624 -3.021 1.00 0.61 H new ATOM 0 HA SER B 29 -17.516 -2.280 -5.399 1.00 0.48 H new ATOM 0 HB2 SER B 29 -19.812 -1.280 -5.355 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.817 -3.032 -5.401 1.00 0.55 H new ATOM 0 HG SER B 29 -21.287 -2.191 -3.816 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.010 0.254 -4.425 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.588 1.553 -3.918 1.00 0.36 C ATOM 1987 C LYS B 30 -18.195 1.838 -2.546 1.00 0.36 C ATOM 1988 O LYS B 30 -17.611 2.561 -1.753 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.944 2.665 -4.908 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.449 4.043 -4.478 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.580 5.084 -5.586 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.806 4.863 -6.459 1.00 0.52 C ATOM 1993 NZ LYS B 30 -20.085 4.947 -5.697 1.00 1.32 N ATOM 0 H LYS B 30 -18.591 0.291 -5.262 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.504 1.528 -3.805 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.520 2.423 -5.882 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.027 2.698 -5.031 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -18.014 4.372 -3.606 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.405 3.971 -4.173 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -17.631 6.078 -5.141 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.686 5.059 -6.209 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.815 5.605 -7.257 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -18.736 3.884 -6.934 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -20.563 4.023 -5.718 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.885 5.211 -4.711 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -20.701 5.665 -6.130 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.354 1.254 -2.263 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.972 1.430 -0.959 1.00 0.40 C ATOM 2009 C GLY B 31 -19.100 0.898 0.156 1.00 0.38 C ATOM 2010 O GLY B 31 -18.952 1.531 1.203 1.00 0.39 O ATOM 0 H GLY B 31 -19.876 0.663 -2.910 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.170 2.489 -0.791 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.935 0.919 -0.942 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.507 -0.260 -0.086 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.639 -0.903 0.885 1.00 0.50 C ATOM 2016 C GLU B 32 -16.349 -0.114 1.049 1.00 0.42 C ATOM 2017 O GLU B 32 -15.855 0.079 2.163 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.320 -2.320 0.421 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.554 -3.179 0.200 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.383 -3.349 1.455 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -20.283 -2.521 1.694 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -19.136 -4.312 2.209 1.00 2.43 O ATOM 0 H GLU B 32 -18.614 -0.778 -0.958 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.150 -0.939 1.847 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.751 -2.270 -0.507 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.681 -2.801 1.161 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.170 -2.729 -0.578 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -18.248 -4.160 -0.163 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.818 0.341 -0.077 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.607 1.136 -0.098 1.00 0.34 C ATOM 2031 C LEU B 33 -14.837 2.438 0.655 1.00 0.30 C ATOM 2032 O LEU B 33 -14.080 2.782 1.552 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.222 1.430 -1.544 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.826 2.016 -1.741 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.767 0.989 -1.376 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.637 2.494 -3.171 1.00 0.46 C ATOM 0 H LEU B 33 -16.217 0.167 -0.999 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.799 0.586 0.385 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.294 0.506 -2.117 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.952 2.123 -1.963 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.718 2.876 -1.081 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.777 1.420 -1.521 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.887 0.698 -0.332 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.877 0.111 -2.012 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.635 2.907 -3.287 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.765 1.655 -3.855 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.375 3.263 -3.398 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.909 3.129 0.286 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.304 4.381 0.918 1.00 0.31 C ATOM 2050 C LYS B 34 -16.418 4.221 2.429 1.00 0.35 C ATOM 2051 O LYS B 34 -15.929 5.060 3.186 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.642 4.850 0.340 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.322 5.929 1.167 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.706 6.255 0.637 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.455 7.173 1.588 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.824 7.479 1.105 1.00 1.87 N ATOM 0 H LYS B 34 -16.533 2.834 -0.465 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.536 5.127 0.714 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.479 5.227 -0.669 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.311 3.994 0.256 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.398 5.599 2.203 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.709 6.831 1.163 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.622 6.730 -0.340 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.271 5.334 0.496 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.514 6.706 2.571 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.898 8.102 1.709 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.299 8.108 1.784 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.768 7.948 0.178 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.365 6.596 1.014 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.069 3.145 2.857 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.204 2.836 4.267 1.00 0.43 C ATOM 2072 C GLN B 35 -15.837 2.819 4.929 1.00 0.43 C ATOM 2073 O GLN B 35 -15.580 3.608 5.834 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.913 1.494 4.439 1.00 0.50 C ATOM 2075 CG GLN B 35 -18.164 1.132 5.887 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.866 -0.198 6.044 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -18.224 -1.240 6.153 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.188 -0.172 6.060 1.00 2.06 N ATOM 0 H GLN B 35 -17.514 2.469 2.237 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.806 3.606 4.750 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.865 1.523 3.909 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.313 0.711 3.975 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -17.213 1.101 6.419 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.765 1.913 6.353 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -20.682 0.716 5.966 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.714 -1.040 6.166 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.950 1.958 4.437 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.599 1.861 4.964 1.00 0.39 C ATOM 2089 C LEU B 36 -12.917 3.227 4.948 1.00 0.38 C ATOM 2090 O LEU B 36 -12.401 3.680 5.956 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.791 0.850 4.139 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.335 0.645 4.569 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.878 -0.752 4.209 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.424 1.667 3.907 1.00 0.40 C ATOM 0 H LEU B 36 -15.148 1.316 3.670 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.648 1.518 5.997 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.300 -0.113 4.180 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.800 1.171 3.097 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.279 0.778 5.649 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.842 -0.887 4.519 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.507 -1.483 4.717 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.956 -0.894 3.131 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.396 1.500 4.228 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.487 1.563 2.824 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.735 2.672 4.194 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.942 3.875 3.799 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.235 5.134 3.591 1.00 0.35 C ATOM 2108 C LEU B 37 -12.681 6.226 4.556 1.00 0.41 C ATOM 2109 O LEU B 37 -11.850 6.864 5.202 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.436 5.594 2.150 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.880 4.635 1.102 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.194 5.123 -0.301 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.385 4.458 1.292 1.00 0.32 C ATOM 0 H LEU B 37 -13.453 3.547 2.979 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.178 4.954 3.787 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.502 5.732 1.970 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.963 6.568 2.022 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.361 3.666 1.232 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.787 4.422 -1.030 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.274 5.193 -0.429 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.747 6.105 -0.453 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.001 3.771 0.538 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.889 5.423 1.190 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.190 4.052 2.285 1.00 0.32 H new ATOM 2125 N THR B 38 -13.981 6.422 4.665 1.00 0.45 N ATOM 2126 CA THR B 38 -14.525 7.503 5.468 1.00 0.53 C ATOM 2127 C THR B 38 -14.245 7.309 6.957 1.00 0.59 C ATOM 2128 O THR B 38 -14.100 8.281 7.697 1.00 0.67 O ATOM 2129 CB THR B 38 -16.044 7.651 5.251 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.692 6.382 5.419 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.344 8.197 3.863 1.00 1.03 C ATOM 0 H THR B 38 -14.684 5.844 4.205 1.00 0.45 H new ATOM 0 HA THR B 38 -14.023 8.413 5.138 1.00 0.53 H new ATOM 0 HB THR B 38 -16.425 8.354 5.992 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.486 5.805 4.654 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.422 8.292 3.735 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.877 9.175 3.748 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.948 7.515 3.110 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.183 6.060 7.397 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.989 5.777 8.812 1.00 0.67 C ATOM 2141 C LYS B 39 -12.527 5.506 9.167 1.00 0.65 C ATOM 2142 O LYS B 39 -12.125 5.644 10.320 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.856 4.599 9.236 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.491 3.293 8.557 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.660 2.317 8.535 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.153 2.003 9.937 1.00 0.87 C ATOM 2147 NZ LYS B 39 -17.318 1.082 9.925 1.00 1.62 N ATOM 0 H LYS B 39 -14.263 5.235 6.802 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.289 6.672 9.357 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.776 4.471 10.315 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.899 4.831 9.019 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.166 3.493 7.536 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.648 2.837 9.076 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.476 2.739 7.948 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.355 1.395 8.041 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -15.344 1.556 10.514 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.429 2.930 10.440 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -17.622 0.894 10.902 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -18.100 1.519 9.397 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -17.049 0.187 9.468 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.741 5.106 8.185 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.367 4.694 8.432 1.00 0.58 C ATOM 2163 C GLU B 40 -9.377 5.763 8.021 1.00 0.56 C ATOM 2164 O GLU B 40 -8.449 6.082 8.760 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.069 3.406 7.673 1.00 0.58 C ATOM 2166 CG GLU B 40 -10.743 2.191 8.269 1.00 0.88 C ATOM 2167 CD GLU B 40 -10.124 1.786 9.586 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -9.049 1.152 9.556 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -10.695 2.108 10.647 1.00 1.63 O ATOM 0 H GLU B 40 -12.028 5.057 7.208 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.259 4.529 9.504 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.390 3.520 6.638 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -8.991 3.243 7.656 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -11.802 2.401 8.416 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.677 1.360 7.567 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.574 6.312 6.840 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.622 7.255 6.281 1.00 0.49 C ATOM 2178 C LEU B 41 -9.200 8.657 6.331 1.00 0.53 C ATOM 2179 O LEU B 41 -8.775 9.544 5.588 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.273 6.873 4.839 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.980 5.386 4.613 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.490 5.147 3.196 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.965 4.877 5.622 1.00 1.42 C ATOM 0 H LEU B 41 -10.383 6.123 6.248 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.707 7.227 6.873 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.099 7.167 4.192 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.403 7.450 4.527 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.908 4.832 4.754 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.287 4.085 3.055 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.254 5.468 2.488 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.576 5.716 3.026 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.772 3.819 5.442 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -6.036 5.438 5.518 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.357 5.008 6.630 1.00 1.42 H new ATOM 2195 N ALA B 42 -10.164 8.831 7.235 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.892 10.092 7.400 1.00 0.64 C ATOM 2197 C ALA B 42 -9.969 11.306 7.471 1.00 0.71 C ATOM 2198 O ALA B 42 -10.313 12.382 6.987 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.760 10.036 8.644 1.00 0.71 C ATOM 0 H ALA B 42 -10.464 8.098 7.878 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.515 10.212 6.514 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.296 10.978 8.756 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.476 9.220 8.551 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -11.132 9.870 9.519 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.801 11.134 8.067 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.868 12.241 8.226 1.00 0.83 C ATOM 2207 C ASN B 43 -6.529 11.916 7.567 1.00 0.83 C ATOM 2208 O ASN B 43 -5.464 12.266 8.073 1.00 1.07 O ATOM 2209 CB ASN B 43 -7.676 12.567 9.713 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.943 13.879 9.935 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -7.027 14.797 9.118 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -6.228 13.981 11.043 1.00 2.16 N ATOM 0 H ASN B 43 -8.476 10.245 8.447 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.285 13.118 7.732 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -8.650 12.613 10.200 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -7.120 11.760 10.189 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -5.721 14.843 11.245 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -6.183 13.198 11.695 1.00 2.16 H new ATOM 2219 N THR B 44 -6.581 11.210 6.451 1.00 0.65 N ATOM 2220 CA THR B 44 -5.382 10.944 5.677 1.00 0.61 C ATOM 2221 C THR B 44 -5.527 11.524 4.279 1.00 0.59 C ATOM 2222 O THR B 44 -4.798 12.433 3.887 1.00 0.66 O ATOM 2223 CB THR B 44 -5.095 9.436 5.574 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.178 8.837 6.876 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.712 9.196 4.984 1.00 0.52 C ATOM 0 H THR B 44 -7.436 10.813 6.062 1.00 0.65 H new ATOM 0 HA THR B 44 -4.546 11.417 6.193 1.00 0.61 H new ATOM 0 HB THR B 44 -5.838 8.983 4.918 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.996 7.876 6.806 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.525 8.124 4.918 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.660 9.635 3.988 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.959 9.657 5.623 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.501 11.007 3.553 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.755 11.434 2.191 1.00 0.51 C ATOM 2235 C ILE B 45 -7.642 12.675 2.197 1.00 0.59 C ATOM 2236 O ILE B 45 -8.637 12.716 2.926 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.444 10.307 1.398 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.600 9.024 1.434 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.694 10.745 -0.040 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.229 7.866 0.687 1.00 0.35 C ATOM 0 H ILE B 45 -7.135 10.283 3.890 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.804 11.671 1.713 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.405 10.095 1.866 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.619 9.232 1.007 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.440 8.733 2.472 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.181 9.938 -0.587 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.336 11.626 -0.046 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.744 10.985 -0.518 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.579 6.994 0.754 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.198 7.632 1.128 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.364 8.138 -0.360 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.266 13.687 1.410 1.00 0.67 N ATOM 2253 CA LYS B 46 -8.016 14.938 1.352 1.00 0.74 C ATOM 2254 C LYS B 46 -9.477 14.677 1.058 1.00 0.68 C ATOM 2255 O LYS B 46 -9.804 13.975 0.103 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.436 15.892 0.294 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.674 15.489 -1.161 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.925 16.152 -1.731 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.095 15.841 -3.210 1.00 0.88 C ATOM 2260 NZ LYS B 46 -7.995 16.413 -4.034 1.00 1.61 N ATOM 0 H LYS B 46 -6.445 13.661 0.805 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.929 15.413 2.329 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.862 16.883 0.452 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.362 15.977 0.458 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.808 15.767 -1.762 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.774 14.406 -1.227 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.802 15.809 -1.183 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.863 17.231 -1.590 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.129 14.761 -3.351 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.050 16.237 -3.556 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -8.257 16.372 -5.040 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.833 17.403 -3.758 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.125 15.864 -3.880 1.00 1.61 H new ATOM 2274 N ASN B 47 -10.342 15.223 1.905 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.780 15.151 1.691 1.00 0.67 C ATOM 2276 C ASN B 47 -12.222 13.735 1.365 1.00 0.59 C ATOM 2277 O ASN B 47 -13.080 13.534 0.514 1.00 0.57 O ATOM 2278 CB ASN B 47 -12.193 16.084 0.554 1.00 0.69 C ATOM 2279 CG ASN B 47 -12.266 17.537 0.970 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.259 18.243 0.987 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -13.467 18.008 1.258 1.00 1.24 N ATOM 0 H ASN B 47 -10.069 15.723 2.751 1.00 0.71 H new ATOM 0 HA ASN B 47 -12.266 15.461 2.616 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.482 15.983 -0.266 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -13.166 15.773 0.173 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -13.584 18.991 1.506 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -14.277 17.389 1.232 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.635 12.752 2.040 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.971 11.350 1.800 1.00 0.48 C ATOM 2290 C ILE B 48 -13.439 11.091 2.141 1.00 0.48 C ATOM 2291 O ILE B 48 -13.991 10.026 1.878 1.00 0.44 O ATOM 2292 CB ILE B 48 -11.073 10.410 2.631 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.239 8.957 2.182 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.393 10.545 4.109 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.896 8.728 0.727 1.00 0.38 C ATOM 0 H ILE B 48 -10.925 12.898 2.757 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.802 11.144 0.743 1.00 0.48 H new ATOM 0 HB ILE B 48 -10.035 10.700 2.468 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.606 8.320 2.800 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.269 8.647 2.356 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.752 9.876 4.683 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.220 11.573 4.426 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.437 10.283 4.281 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.037 7.676 0.481 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.546 9.338 0.100 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.857 9.005 0.550 1.00 0.38 H new ATOM 2307 N LYS B 49 -14.052 12.095 2.734 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.448 12.043 3.104 1.00 0.57 C ATOM 2309 C LYS B 49 -16.320 12.436 1.919 1.00 0.55 C ATOM 2310 O LYS B 49 -17.538 12.248 1.933 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.688 12.986 4.272 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.760 12.724 5.454 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.892 11.307 6.002 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.858 11.223 7.178 1.00 0.83 C ATOM 2315 NZ LYS B 49 -17.227 11.699 6.841 1.00 1.11 N ATOM 0 H LYS B 49 -13.592 12.973 2.973 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.710 11.027 3.399 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.555 14.014 3.934 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.722 12.890 4.602 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.729 12.896 5.146 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.979 13.438 6.248 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -15.234 10.644 5.207 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.911 10.949 6.315 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.913 10.190 7.523 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.467 11.815 8.005 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -17.881 11.448 7.610 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -17.215 12.732 6.719 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -17.543 11.250 5.958 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.684 12.988 0.898 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.376 13.392 -0.313 1.00 0.56 C ATOM 2331 C ASP B 50 -16.480 12.236 -1.276 1.00 0.50 C ATOM 2332 O ASP B 50 -15.490 11.582 -1.593 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.658 14.555 -0.998 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.114 15.908 -0.491 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -15.586 16.385 0.538 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -17.009 16.505 -1.129 1.00 1.56 O ATOM 0 H ASP B 50 -14.680 13.167 0.886 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.376 13.716 -0.025 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.584 14.456 -0.840 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.829 14.499 -2.073 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.692 11.995 -1.745 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.936 10.941 -2.709 1.00 0.48 C ATOM 2343 C LYS B 51 -17.235 11.264 -4.016 1.00 0.49 C ATOM 2344 O LYS B 51 -16.895 10.375 -4.773 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.429 10.785 -2.961 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.924 9.340 -2.954 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.236 8.476 -4.005 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.499 8.973 -5.422 1.00 0.83 C ATOM 2349 NZ LYS B 51 -20.950 9.034 -5.747 1.00 0.92 N ATOM 0 H LYS B 51 -18.524 12.518 -1.471 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.545 10.007 -2.306 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.974 11.346 -2.202 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.671 11.234 -3.924 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.756 8.908 -1.968 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -21.000 9.328 -3.128 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.162 8.467 -3.819 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.585 7.447 -3.912 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.061 9.964 -5.543 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -18.999 8.315 -6.133 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.071 9.212 -6.764 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.400 8.130 -5.498 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.395 9.802 -5.206 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.026 12.547 -4.274 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.304 12.967 -5.463 1.00 0.60 C ATOM 2365 C ALA B 52 -14.856 12.549 -5.344 1.00 0.57 C ATOM 2366 O ALA B 52 -14.220 12.151 -6.318 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.395 14.469 -5.640 1.00 0.67 C ATOM 0 H ALA B 52 -17.345 13.311 -3.678 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.752 12.491 -6.335 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.848 14.764 -6.536 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.440 14.761 -5.741 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.962 14.965 -4.771 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.366 12.616 -4.121 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.002 12.238 -3.811 1.00 0.53 C ATOM 2375 C VAL B 53 -12.876 10.728 -3.841 1.00 0.47 C ATOM 2376 O VAL B 53 -11.941 10.174 -4.420 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.598 12.772 -2.426 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.315 12.124 -1.919 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.438 14.279 -2.474 1.00 0.60 C ATOM 0 H VAL B 53 -14.903 12.934 -3.314 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.336 12.672 -4.556 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.395 12.514 -1.728 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.066 12.529 -0.938 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.458 11.046 -1.841 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.502 12.332 -2.615 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.152 14.646 -1.488 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.665 14.540 -3.197 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.382 14.736 -2.771 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.845 10.077 -3.223 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.915 8.628 -3.207 1.00 0.36 C ATOM 2391 C ILE B 54 -14.069 8.066 -4.608 1.00 0.38 C ATOM 2392 O ILE B 54 -13.483 7.045 -4.937 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.085 8.163 -2.343 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.802 8.553 -0.901 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.305 6.656 -2.477 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.915 8.200 0.046 1.00 0.38 C ATOM 0 H ILE B 54 -14.603 10.537 -2.719 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.980 8.258 -2.786 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.003 8.645 -2.678 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.887 8.060 -0.573 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.621 9.627 -0.852 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.144 6.354 -1.851 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.521 6.411 -3.517 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.406 6.127 -2.159 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.644 8.507 1.056 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.827 8.714 -0.257 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.081 7.123 0.027 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.855 8.745 -5.428 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.111 8.299 -6.791 1.00 0.47 C ATOM 2410 C ASP B 55 -13.828 8.385 -7.588 1.00 0.48 C ATOM 2411 O ASP B 55 -13.485 7.476 -8.330 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.184 9.159 -7.452 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.023 8.381 -8.451 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.986 7.705 -8.028 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -16.744 8.455 -9.663 1.00 1.43 O ATOM 0 H ASP B 55 -15.329 9.611 -5.173 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.467 7.269 -6.764 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.835 9.576 -6.683 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.710 10.000 -7.958 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.118 9.488 -7.396 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.806 9.688 -7.987 1.00 0.53 C ATOM 2422 C GLU B 56 -10.893 8.498 -7.706 1.00 0.47 C ATOM 2423 O GLU B 56 -10.233 7.970 -8.608 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.191 10.962 -7.418 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.717 12.237 -8.054 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.322 12.365 -9.510 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.154 12.710 -9.783 1.00 1.77 O ATOM 2428 OE2 GLU B 56 -12.172 12.121 -10.391 1.00 1.66 O ATOM 0 H GLU B 56 -13.438 10.270 -6.824 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.916 9.780 -9.067 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.381 10.998 -6.345 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.110 10.922 -7.549 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.804 12.258 -7.973 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.339 13.097 -7.502 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.874 8.069 -6.454 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.031 6.970 -6.032 1.00 0.39 C ATOM 2437 C ILE B 57 -10.556 5.647 -6.569 1.00 0.36 C ATOM 2438 O ILE B 57 -9.830 4.898 -7.212 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.981 6.901 -4.507 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.502 8.234 -3.932 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.080 5.768 -4.067 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.492 8.275 -2.423 1.00 1.00 C ATOM 0 H ILE B 57 -11.441 8.473 -5.708 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.031 7.144 -6.428 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.984 6.708 -4.127 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.496 8.437 -4.299 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.144 9.032 -4.304 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.051 5.728 -2.978 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.465 4.825 -4.455 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.073 5.934 -4.450 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.141 9.251 -2.088 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.501 8.104 -2.048 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.827 7.500 -2.042 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.830 5.392 -6.304 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.500 4.171 -6.723 1.00 0.36 C ATOM 2456 C PHE B 58 -12.311 3.937 -8.206 1.00 0.41 C ATOM 2457 O PHE B 58 -11.932 2.855 -8.624 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.991 4.266 -6.406 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.791 3.086 -6.860 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.704 1.881 -6.188 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.645 3.185 -7.946 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.452 0.797 -6.588 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.393 2.100 -8.353 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.295 0.906 -7.669 1.00 0.93 C ATOM 0 H PHE B 58 -12.432 6.033 -5.787 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.062 3.333 -6.180 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.115 4.383 -5.329 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.394 5.165 -6.873 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.042 1.789 -5.340 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.726 4.121 -8.479 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.377 -0.138 -6.053 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -17.053 2.185 -9.204 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.881 0.055 -7.983 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.556 4.972 -8.983 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.433 4.899 -10.426 1.00 0.52 C ATOM 2476 C GLN B 59 -10.975 4.732 -10.835 1.00 0.52 C ATOM 2477 O GLN B 59 -10.677 4.191 -11.896 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.030 6.157 -11.056 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.549 6.226 -10.967 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.269 5.415 -12.037 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.375 5.764 -12.449 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -14.657 4.337 -12.505 1.00 1.63 N ATOM 0 H GLN B 59 -12.845 5.886 -8.634 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.982 4.028 -10.784 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.606 7.034 -10.566 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.734 6.203 -12.104 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.862 5.872 -9.985 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.860 7.268 -11.044 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -13.740 4.074 -12.143 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.102 3.771 -13.227 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.074 5.198 -9.979 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.659 5.003 -10.213 1.00 0.49 C ATOM 2493 C GLY B 60 -8.255 3.549 -10.050 1.00 0.47 C ATOM 2494 O GLY B 60 -7.334 3.077 -10.717 1.00 0.53 O ATOM 0 H GLY B 60 -10.300 5.708 -9.125 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.407 5.339 -11.219 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.088 5.619 -9.519 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.947 2.839 -9.162 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.670 1.425 -8.936 1.00 0.44 C ATOM 2500 C LEU B 61 -9.532 0.583 -9.865 1.00 0.51 C ATOM 2501 O LEU B 61 -9.076 -0.410 -10.421 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.938 1.025 -7.475 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.973 2.170 -6.466 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.561 1.684 -5.154 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.577 2.738 -6.248 1.00 0.35 C ATOM 0 H LEU B 61 -9.701 3.219 -8.590 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.615 1.248 -9.145 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.892 0.499 -7.432 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.169 0.317 -7.166 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.604 2.966 -6.862 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.583 2.506 -4.439 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.575 1.322 -5.322 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.948 0.875 -4.758 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.624 3.553 -5.526 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.921 1.955 -5.869 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.185 3.114 -7.193 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.777 1.003 -10.034 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.720 0.317 -10.908 1.00 0.59 C ATOM 2519 C ASP B 62 -11.427 0.662 -12.366 1.00 0.70 C ATOM 2520 O ASP B 62 -12.183 1.381 -13.025 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.163 0.696 -10.547 1.00 0.57 C ATOM 2522 CG ASP B 62 -14.189 -0.102 -11.331 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -14.008 -1.329 -11.490 1.00 1.11 O ATOM 2524 OD2 ASP B 62 -15.178 0.491 -11.802 1.00 1.40 O ATOM 0 H ASP B 62 -11.162 1.826 -9.571 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.605 -0.758 -10.771 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.321 0.536 -9.480 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.314 1.759 -10.735 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.311 0.152 -12.860 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.881 0.410 -14.225 1.00 0.94 C ATOM 2531 C ALA B 63 -10.675 -0.430 -15.215 1.00 1.12 C ATOM 2532 O ALA B 63 -10.697 -0.149 -16.412 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.392 0.133 -14.368 1.00 1.00 C ATOM 0 H ALA B 63 -9.680 -0.449 -12.330 1.00 0.78 H new ATOM 0 HA ALA B 63 -10.067 1.460 -14.449 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -8.082 0.330 -15.394 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.835 0.780 -13.690 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.191 -0.910 -14.122 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.327 -1.468 -14.708 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.134 -2.339 -15.550 1.00 1.28 C ATOM 2541 C ASN B 64 -13.548 -1.788 -15.672 1.00 1.22 C ATOM 2542 O ASN B 64 -14.336 -2.232 -16.504 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.173 -3.763 -14.978 1.00 1.34 C ATOM 2544 CG ASN B 64 -12.674 -4.792 -15.980 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -11.892 -5.375 -16.732 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -13.976 -5.030 -16.000 1.00 2.80 N ATOM 0 H ASN B 64 -11.313 -1.726 -13.721 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.680 -2.376 -16.540 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.173 -4.043 -14.647 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.816 -3.778 -14.098 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -14.359 -5.714 -16.652 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -14.596 -4.529 -15.363 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.844 -0.794 -14.831 1.00 1.04 N ATOM 2554 CA GLN B 65 -15.159 -0.159 -14.781 1.00 1.06 C ATOM 2555 C GLN B 65 -16.234 -1.181 -14.435 1.00 1.04 C ATOM 2556 O GLN B 65 -17.317 -1.193 -15.019 1.00 1.17 O ATOM 2557 CB GLN B 65 -15.483 0.544 -16.103 1.00 1.32 C ATOM 2558 CG GLN B 65 -14.528 1.679 -16.439 1.00 1.38 C ATOM 2559 CD GLN B 65 -14.896 2.401 -17.720 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.030 2.905 -18.436 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -16.184 2.464 -18.020 1.00 2.58 N ATOM 0 H GLN B 65 -13.175 -0.407 -14.165 1.00 1.04 H new ATOM 0 HA GLN B 65 -15.139 0.598 -13.997 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -15.461 -0.189 -16.910 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -16.499 0.937 -16.057 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -14.517 2.393 -15.616 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.517 1.282 -16.530 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -16.873 2.035 -17.403 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -16.487 2.942 -18.869 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.925 -2.027 -13.465 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.833 -3.083 -13.040 1.00 0.95 C ATOM 2572 C ASP B 66 -17.565 -2.654 -11.775 1.00 0.81 C ATOM 2573 O ASP B 66 -18.541 -3.277 -11.355 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.052 -4.380 -12.794 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.934 -5.537 -12.367 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.546 -6.182 -13.244 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -17.002 -5.826 -11.156 1.00 2.14 O ATOM 0 H ASP B 66 -15.044 -2.003 -12.952 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.566 -3.264 -13.826 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.520 -4.654 -13.705 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -15.299 -4.203 -12.026 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.084 -1.555 -11.199 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.611 -1.009 -9.953 1.00 0.63 C ATOM 2584 C GLU B 67 -17.379 -1.957 -8.781 1.00 0.58 C ATOM 2585 O GLU B 67 -18.159 -1.986 -7.826 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.094 -0.651 -10.069 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.344 0.659 -10.794 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.811 1.019 -10.843 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.319 1.593 -9.858 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -21.467 0.730 -11.868 1.00 2.01 O ATOM 0 H GLU B 67 -16.311 -1.015 -11.588 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.060 -0.089 -9.758 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.614 -1.453 -10.594 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.525 -0.592 -9.070 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -18.793 1.457 -10.297 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.956 0.589 -11.810 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.298 -2.721 -8.857 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.906 -3.609 -7.772 1.00 0.66 C ATOM 2599 C GLN B 68 -14.397 -3.595 -7.590 1.00 0.66 C ATOM 2600 O GLN B 68 -13.644 -3.907 -8.513 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.394 -5.039 -8.016 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.882 -5.229 -7.766 1.00 1.38 C ATOM 2603 CD GLN B 68 -18.325 -6.670 -7.929 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -19.247 -7.128 -7.251 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -17.699 -7.387 -8.846 1.00 2.07 N ATOM 0 H GLN B 68 -15.674 -2.743 -9.664 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.376 -3.243 -6.860 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -16.169 -5.320 -9.045 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.837 -5.719 -7.371 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.123 -4.891 -6.758 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -18.445 -4.600 -8.456 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -16.940 -6.972 -9.387 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -17.975 -8.355 -9.012 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.969 -3.210 -6.402 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.556 -3.145 -6.068 1.00 0.64 C ATOM 2616 C VAL B 69 -12.002 -4.538 -5.783 1.00 0.64 C ATOM 2617 O VAL B 69 -12.404 -5.190 -4.823 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.317 -2.265 -4.822 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -10.841 -1.955 -4.654 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -13.126 -0.984 -4.893 1.00 1.22 C ATOM 0 H VAL B 69 -14.589 -2.933 -5.641 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.045 -2.709 -6.927 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.651 -2.827 -3.950 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -10.698 -1.334 -3.770 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -10.285 -2.885 -4.538 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.479 -1.423 -5.534 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.937 -0.385 -4.002 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -12.836 -0.419 -5.779 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -14.187 -1.226 -4.949 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.088 -4.999 -6.625 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.385 -6.250 -6.362 1.00 0.73 C ATOM 2632 C ASP B 70 -9.286 -6.004 -5.336 1.00 0.64 C ATOM 2633 O ASP B 70 -8.959 -4.852 -5.067 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.785 -6.812 -7.656 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.050 -8.123 -7.453 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.702 -9.185 -7.484 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -7.810 -8.094 -7.273 1.00 2.02 O ATOM 0 H ASP B 70 -10.816 -4.531 -7.490 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.092 -6.981 -5.969 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.582 -6.959 -8.385 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.098 -6.079 -8.079 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.714 -7.056 -4.770 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.650 -6.905 -3.777 1.00 0.67 C ATOM 2644 C PHE B 71 -6.501 -6.085 -4.358 1.00 0.56 C ATOM 2645 O PHE B 71 -5.885 -5.273 -3.672 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.118 -8.271 -3.339 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.141 -9.373 -3.392 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.207 -9.394 -2.510 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -8.039 -10.383 -4.336 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -10.151 -10.402 -2.564 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -8.979 -11.392 -4.396 1.00 2.18 C ATOM 2652 CZ PHE B 71 -10.037 -11.402 -3.508 1.00 1.77 C ATOM 0 H PHE B 71 -8.965 -8.023 -4.977 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.068 -6.391 -2.911 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.275 -8.542 -3.974 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.737 -8.192 -2.321 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.303 -8.613 -1.770 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -7.214 -10.380 -5.033 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -10.977 -10.407 -1.868 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -8.887 -12.173 -5.136 1.00 2.18 H new ATOM 0 HZ PHE B 71 -10.773 -12.191 -3.552 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.240 -6.302 -5.639 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.176 -5.610 -6.348 1.00 0.57 C ATOM 2664 C GLN B 72 -5.516 -4.135 -6.521 1.00 0.50 C ATOM 2665 O GLN B 72 -4.664 -3.260 -6.375 1.00 0.47 O ATOM 2666 CB GLN B 72 -4.964 -6.265 -7.714 1.00 0.70 C ATOM 2667 CG GLN B 72 -3.881 -5.610 -8.539 1.00 0.75 C ATOM 2668 CD GLN B 72 -3.736 -6.231 -9.911 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -4.701 -6.734 -10.482 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -2.529 -6.206 -10.446 1.00 1.66 N ATOM 0 H GLN B 72 -6.761 -6.963 -6.215 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.258 -5.682 -5.765 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.713 -7.316 -7.568 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -5.901 -6.236 -8.271 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.104 -4.549 -8.647 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -2.931 -5.684 -8.009 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -1.755 -5.778 -9.938 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -2.371 -6.614 -11.367 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.771 -3.871 -6.826 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.246 -2.508 -6.999 1.00 0.47 C ATOM 2681 C GLU B 73 -7.349 -1.819 -5.642 1.00 0.36 C ATOM 2682 O GLU B 73 -7.164 -0.609 -5.522 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.594 -2.514 -7.722 1.00 0.56 C ATOM 2684 CG GLU B 73 -8.645 -3.477 -8.908 1.00 0.78 C ATOM 2685 CD GLU B 73 -7.614 -3.184 -9.987 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -6.401 -3.268 -9.707 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -8.015 -2.886 -11.131 1.00 1.99 O ATOM 0 H GLU B 73 -7.486 -4.586 -6.960 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.537 -1.950 -7.610 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.377 -2.782 -7.012 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -8.814 -1.506 -8.073 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.496 -4.494 -8.544 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -9.640 -3.439 -9.351 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.627 -2.603 -4.615 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.608 -2.110 -3.248 1.00 0.34 C ATOM 2696 C PHE B 74 -6.175 -1.833 -2.829 1.00 0.32 C ATOM 2697 O PHE B 74 -5.909 -1.031 -1.939 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.252 -3.129 -2.305 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.343 -2.662 -0.880 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.363 -1.815 -0.479 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.406 -3.069 0.059 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.447 -1.382 0.830 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.486 -2.639 1.369 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.508 -1.794 1.755 1.00 1.90 C ATOM 0 H PHE B 74 -7.870 -3.590 -4.703 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.182 -1.185 -3.193 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.254 -3.362 -2.666 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.678 -4.055 -2.338 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -10.101 -1.490 -1.198 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.605 -3.730 -0.238 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -10.247 -0.721 1.130 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.751 -2.963 2.090 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.573 -1.456 2.779 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.252 -2.490 -3.502 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.844 -2.265 -3.270 1.00 0.36 C ATOM 2716 C ILE B 75 -3.456 -0.894 -3.800 1.00 0.34 C ATOM 2717 O ILE B 75 -2.707 -0.152 -3.161 1.00 0.36 O ATOM 2718 CB ILE B 75 -2.996 -3.379 -3.916 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.703 -4.466 -2.891 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.715 -2.829 -4.509 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.171 -5.728 -3.507 1.00 0.67 C ATOM 0 H ILE B 75 -5.456 -3.188 -4.218 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.648 -2.292 -2.198 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.567 -3.814 -4.736 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.980 -4.089 -2.167 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.616 -4.694 -2.341 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.142 -3.642 -4.956 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -1.956 -2.091 -5.275 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.124 -2.357 -3.724 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.982 -6.463 -2.725 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.903 -6.126 -4.210 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.242 -5.512 -4.034 1.00 0.67 H new ATOM 2733 N SER B 76 -3.998 -0.542 -4.960 1.00 0.34 N ATOM 2734 CA SER B 76 -3.809 0.789 -5.490 1.00 0.36 C ATOM 2735 C SER B 76 -4.565 1.808 -4.641 1.00 0.31 C ATOM 2736 O SER B 76 -4.209 2.971 -4.608 1.00 0.33 O ATOM 2737 CB SER B 76 -4.219 0.858 -6.961 1.00 0.45 C ATOM 2738 OG SER B 76 -5.335 0.027 -7.232 1.00 0.74 O ATOM 0 H SER B 76 -4.566 -1.158 -5.542 1.00 0.34 H new ATOM 0 HA SER B 76 -2.748 1.036 -5.443 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.459 1.888 -7.224 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.380 0.557 -7.588 1.00 0.45 H new ATOM 0 HG SER B 76 -6.004 0.137 -6.525 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.592 1.363 -3.924 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.269 2.230 -2.961 1.00 0.26 C ATOM 2746 C LEU B 77 -5.269 2.665 -1.901 1.00 0.23 C ATOM 2747 O LEU B 77 -5.149 3.851 -1.587 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.467 1.497 -2.322 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.223 2.235 -1.197 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.514 2.095 0.146 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.411 3.700 -1.552 1.00 1.14 C ATOM 0 H LEU B 77 -5.972 0.419 -3.989 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.657 3.112 -3.471 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.181 1.262 -3.112 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.109 0.548 -1.923 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.204 1.769 -1.100 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.077 2.628 0.912 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.446 1.040 0.413 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.511 2.516 0.074 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.946 4.204 -0.747 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.437 4.169 -1.689 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.985 3.780 -2.475 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.541 1.694 -1.369 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.522 1.971 -0.375 1.00 0.25 C ATOM 2765 C VAL B 78 -2.439 2.836 -0.989 1.00 0.27 C ATOM 2766 O VAL B 78 -1.828 3.641 -0.312 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.876 0.684 0.164 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -2.061 0.991 1.406 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.930 -0.383 0.442 1.00 0.31 C ATOM 0 H VAL B 78 -4.639 0.708 -1.611 1.00 0.24 H new ATOM 0 HA VAL B 78 -4.007 2.484 0.455 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.205 0.286 -0.597 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.608 0.073 1.780 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.278 1.708 1.159 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.711 1.413 2.173 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.446 -1.282 0.822 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.638 -0.011 1.183 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.461 -0.619 -0.480 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.217 2.660 -2.282 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.268 3.478 -3.020 1.00 0.36 C ATOM 2781 C ALA B 79 -1.654 4.952 -2.944 1.00 0.33 C ATOM 2782 O ALA B 79 -0.835 5.809 -2.604 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.220 3.024 -4.467 1.00 0.43 C ATOM 0 H ALA B 79 -2.686 1.951 -2.846 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.281 3.360 -2.573 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.508 3.639 -5.018 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.908 1.980 -4.511 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.209 3.126 -4.913 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.913 5.227 -3.257 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.471 6.578 -3.185 1.00 0.32 C ATOM 2791 C ILE B 80 -3.334 7.132 -1.771 1.00 0.28 C ATOM 2792 O ILE B 80 -3.025 8.306 -1.575 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.971 6.579 -3.603 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.138 6.572 -5.131 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.705 7.778 -3.013 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.361 5.494 -5.851 1.00 0.40 C ATOM 0 H ILE B 80 -3.580 4.521 -3.569 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.914 7.211 -3.875 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.409 5.663 -3.206 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.196 6.455 -5.366 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.830 7.543 -5.520 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.750 7.753 -3.322 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.647 7.741 -1.925 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.244 8.699 -3.370 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.542 5.569 -6.923 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.296 5.619 -5.653 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.683 4.515 -5.497 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.539 6.265 -0.799 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.520 6.650 0.599 1.00 0.23 C ATOM 2810 C ALA B 81 -2.092 6.876 1.105 1.00 0.23 C ATOM 2811 O ALA B 81 -1.838 7.783 1.899 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.235 5.590 1.409 1.00 0.24 C ATOM 0 H ALA B 81 -3.723 5.274 -0.956 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.039 7.601 0.714 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.227 5.870 2.462 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.266 5.503 1.065 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.728 4.633 1.284 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.167 6.055 0.633 1.00 0.22 N ATOM 2819 CA LEU B 82 0.248 6.235 0.923 1.00 0.23 C ATOM 2820 C LEU B 82 0.729 7.531 0.298 1.00 0.24 C ATOM 2821 O LEU B 82 1.579 8.237 0.848 1.00 0.30 O ATOM 2822 CB LEU B 82 1.063 5.066 0.370 1.00 0.25 C ATOM 2823 CG LEU B 82 0.817 3.713 1.036 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.518 2.621 0.260 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.299 3.729 2.477 1.00 0.32 C ATOM 0 H LEU B 82 -1.373 5.250 0.042 1.00 0.22 H new ATOM 0 HA LEU B 82 0.383 6.273 2.004 1.00 0.23 H new ATOM 0 HB2 LEU B 82 0.850 4.970 -0.695 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.122 5.309 0.463 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.255 3.515 1.037 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.338 1.660 0.741 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.133 2.594 -0.759 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.589 2.821 0.238 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.115 2.756 2.933 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.367 3.944 2.501 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.761 4.498 3.032 1.00 0.32 H new ATOM 2837 N LYS B 83 0.171 7.841 -0.862 1.00 0.26 N ATOM 2838 CA LYS B 83 0.462 9.089 -1.531 1.00 0.33 C ATOM 2839 C LYS B 83 -0.259 10.246 -0.866 1.00 0.31 C ATOM 2840 O LYS B 83 0.137 11.388 -1.017 1.00 0.44 O ATOM 2841 CB LYS B 83 0.114 9.018 -3.014 1.00 0.42 C ATOM 2842 CG LYS B 83 1.321 8.705 -3.867 1.00 0.66 C ATOM 2843 CD LYS B 83 1.281 9.392 -5.214 1.00 1.04 C ATOM 2844 CE LYS B 83 2.636 9.286 -5.880 1.00 0.80 C ATOM 2845 NZ LYS B 83 2.893 7.924 -6.397 1.00 1.67 N ATOM 0 H LYS B 83 -0.488 7.240 -1.357 1.00 0.26 H new ATOM 0 HA LYS B 83 1.535 9.263 -1.446 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.648 8.255 -3.171 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.317 9.968 -3.331 1.00 0.42 H new ATOM 0 HG2 LYS B 83 2.224 9.008 -3.336 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.385 7.627 -4.016 1.00 0.66 H new ATOM 0 HD2 LYS B 83 0.518 8.934 -5.844 1.00 1.04 H new ATOM 0 HD3 LYS B 83 1.006 10.440 -5.091 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.694 10.002 -6.700 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.414 9.555 -5.165 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 3.769 7.553 -5.976 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 2.098 7.302 -6.147 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.993 7.959 -7.432 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.310 9.950 -0.124 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.978 10.967 0.671 1.00 0.35 C ATOM 2861 C ALA B 84 -1.092 11.363 1.838 1.00 0.33 C ATOM 2862 O ALA B 84 -1.204 12.460 2.382 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.322 10.468 1.161 1.00 0.48 C ATOM 0 H ALA B 84 -1.719 9.018 -0.054 1.00 0.31 H new ATOM 0 HA ALA B 84 -2.156 11.844 0.049 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.805 11.245 1.754 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.952 10.220 0.306 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.178 9.579 1.776 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.218 10.448 2.224 1.00 0.30 N ATOM 2870 CA ALA B 85 0.780 10.730 3.238 1.00 0.38 C ATOM 2871 C ALA B 85 1.998 11.433 2.633 1.00 0.44 C ATOM 2872 O ALA B 85 2.351 12.539 3.043 1.00 0.57 O ATOM 2873 CB ALA B 85 1.198 9.447 3.933 1.00 0.42 C ATOM 0 H ALA B 85 -0.181 9.501 1.848 1.00 0.30 H new ATOM 0 HA ALA B 85 0.337 11.401 3.974 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.947 9.672 4.692 1.00 0.42 H new ATOM 0 HB2 ALA B 85 0.329 8.989 4.406 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.618 8.757 3.201 1.00 0.42 H new ATOM 2879 N HIS B 86 2.635 10.800 1.647 1.00 0.44 N ATOM 2880 CA HIS B 86 3.877 11.333 1.085 1.00 0.59 C ATOM 2881 C HIS B 86 3.604 12.400 0.027 1.00 0.63 C ATOM 2882 O HIS B 86 4.031 13.543 0.159 1.00 0.72 O ATOM 2883 CB HIS B 86 4.729 10.216 0.477 1.00 0.69 C ATOM 2884 CG HIS B 86 6.151 10.629 0.239 1.00 1.28 C ATOM 2885 ND1 HIS B 86 7.097 10.692 1.238 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.781 11.022 -0.891 1.00 2.11 C ATOM 2887 CE1 HIS B 86 8.242 11.107 0.733 1.00 2.66 C ATOM 2888 NE2 HIS B 86 8.079 11.317 -0.559 1.00 2.68 N ATOM 0 H HIS B 86 2.316 9.928 1.225 1.00 0.44 H new ATOM 0 HA HIS B 86 4.425 11.793 1.907 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.713 9.352 1.141 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.285 9.900 -0.467 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.342 11.091 -1.875 1.00 2.11 H new ATOM 0 HE1 HIS B 86 9.159 11.251 1.285 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.798 11.644 -1.204 1.00 2.68 H new ATOM 2897 N TYR B 87 2.864 12.018 -1.003 1.00 0.58 N ATOM 2898 CA TYR B 87 2.576 12.885 -2.149 1.00 0.65 C ATOM 2899 C TYR B 87 1.393 13.808 -1.831 1.00 0.62 C ATOM 2900 O TYR B 87 0.655 14.209 -2.727 1.00 0.66 O ATOM 2901 CB TYR B 87 2.308 12.054 -3.409 1.00 0.69 C ATOM 2902 CG TYR B 87 2.418 12.842 -4.697 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.640 13.356 -5.115 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.305 13.075 -5.492 1.00 1.63 C ATOM 2905 CE1 TYR B 87 3.747 14.079 -6.287 1.00 1.54 C ATOM 2906 CE2 TYR B 87 1.403 13.796 -6.664 1.00 1.80 C ATOM 2907 CZ TYR B 87 2.624 14.296 -7.057 1.00 1.29 C ATOM 2908 OH TYR B 87 2.720 15.018 -8.226 1.00 1.51 O ATOM 0 H TYR B 87 2.441 11.093 -1.073 1.00 0.58 H new ATOM 0 HA TYR B 87 3.451 13.506 -2.344 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.013 11.223 -3.441 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.309 11.622 -3.342 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.521 13.187 -4.513 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.345 12.685 -5.188 1.00 1.63 H new ATOM 0 HE1 TYR B 87 4.704 14.472 -6.598 1.00 1.54 H new ATOM 0 HE2 TYR B 87 0.526 13.967 -7.270 1.00 1.80 H new ATOM 0 HH TYR B 87 1.837 15.077 -8.647 1.00 1.51 H new ATOM 2918 N HIS B 88 1.176 14.001 -0.524 1.00 0.59 N ATOM 2919 CA HIS B 88 0.064 14.771 0.085 1.00 0.62 C ATOM 2920 C HIS B 88 -0.215 16.168 -0.525 1.00 0.70 C ATOM 2921 O HIS B 88 -0.829 17.011 0.122 1.00 0.76 O ATOM 2922 CB HIS B 88 0.359 14.931 1.586 1.00 0.65 C ATOM 2923 CG HIS B 88 1.607 15.709 1.902 1.00 1.54 C ATOM 2924 ND1 HIS B 88 2.713 15.144 2.496 1.00 2.37 N ATOM 2925 CD2 HIS B 88 1.914 17.016 1.716 1.00 2.40 C ATOM 2926 CE1 HIS B 88 3.643 16.066 2.659 1.00 3.26 C ATOM 2927 NE2 HIS B 88 3.185 17.210 2.193 1.00 3.27 N ATOM 0 H HIS B 88 1.799 13.607 0.181 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.838 14.195 -0.119 1.00 0.62 H new ATOM 0 HB2 HIS B 88 -0.490 15.425 2.059 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.441 13.941 2.034 1.00 0.65 H new ATOM 0 HD1 HIS B 88 2.800 14.165 2.768 1.00 2.37 H new ATOM 0 HD2 HIS B 88 1.275 17.766 1.274 1.00 2.40 H new ATOM 0 HE1 HIS B 88 4.616 15.909 3.100 1.00 3.26 H new ATOM 2936 N THR B 89 0.236 16.413 -1.735 1.00 0.73 N ATOM 2937 CA THR B 89 0.069 17.695 -2.390 1.00 0.81 C ATOM 2938 C THR B 89 -1.404 17.964 -2.718 1.00 0.72 C ATOM 2939 O THR B 89 -1.917 19.058 -2.477 1.00 1.05 O ATOM 2940 CB THR B 89 0.912 17.723 -3.680 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.376 16.803 -4.641 1.00 1.27 O ATOM 2942 CG2 THR B 89 2.343 17.322 -3.371 1.00 0.90 C ATOM 0 H THR B 89 0.733 15.723 -2.298 1.00 0.73 H new ATOM 0 HA THR B 89 0.408 18.478 -1.711 1.00 0.81 H new ATOM 0 HB THR B 89 0.888 18.734 -4.086 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.305 17.255 -5.182 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.933 17.344 -4.287 1.00 0.90 H new ATOM 0 HG22 THR B 89 2.768 18.019 -2.649 1.00 0.90 H new ATOM 0 HG23 THR B 89 2.357 16.315 -2.955 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.081 16.955 -3.259 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.496 17.067 -3.606 1.00 0.65 C ATOM 2952 C HIS B 90 -4.264 15.862 -3.100 1.00 0.94 C ATOM 2953 O HIS B 90 -5.398 15.605 -3.510 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.674 17.212 -5.120 1.00 0.91 C ATOM 2955 CG HIS B 90 -3.092 18.475 -5.675 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -1.910 18.515 -6.384 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.536 19.752 -5.616 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -1.653 19.763 -6.733 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -2.623 20.531 -6.281 1.00 3.47 N ATOM 0 H HIS B 90 -1.670 16.045 -3.468 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.894 17.961 -3.126 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.209 16.360 -5.615 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.737 17.177 -5.357 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -4.440 20.094 -5.135 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -0.793 20.097 -7.294 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -2.685 21.541 -6.405 1.00 3.47 H new ATOM 2968 N LYS B 91 -3.634 15.123 -2.205 1.00 0.91 N ATOM 2969 CA LYS B 91 -4.279 14.001 -1.550 1.00 1.63 C ATOM 2970 C LYS B 91 -4.339 14.262 -0.048 1.00 2.59 C ATOM 2971 O LYS B 91 -4.556 13.356 0.749 1.00 3.47 O ATOM 2972 CB LYS B 91 -3.537 12.695 -1.867 1.00 1.10 C ATOM 2973 CG LYS B 91 -3.592 12.312 -3.340 1.00 1.28 C ATOM 2974 CD LYS B 91 -2.766 11.068 -3.634 1.00 0.87 C ATOM 2975 CE LYS B 91 -2.636 10.827 -5.132 1.00 0.78 C ATOM 2976 NZ LYS B 91 -3.959 10.762 -5.807 1.00 1.29 N ATOM 0 H LYS B 91 -2.669 15.282 -1.914 1.00 0.91 H new ATOM 0 HA LYS B 91 -5.297 13.893 -1.924 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.495 12.795 -1.564 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.966 11.888 -1.273 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -4.628 12.137 -3.631 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -3.226 13.142 -3.945 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -1.775 11.176 -3.194 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.231 10.201 -3.164 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -2.042 11.626 -5.577 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -2.097 9.895 -5.303 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -3.836 10.415 -6.780 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -4.584 10.115 -5.285 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -4.384 11.711 -5.829 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.173 15.534 0.309 1.00 2.69 N ATOM 2991 CA GLU B 92 -4.215 15.986 1.698 1.00 3.81 C ATOM 2992 C GLU B 92 -4.602 17.463 1.741 1.00 4.36 C ATOM 2993 O GLU B 92 -3.767 18.311 1.361 1.00 4.92 O ATOM 2994 CB GLU B 92 -2.856 15.774 2.373 1.00 4.66 C ATOM 2995 CG GLU B 92 -2.697 16.451 3.734 1.00 5.74 C ATOM 2996 CD GLU B 92 -3.653 15.932 4.792 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -3.304 14.962 5.493 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -4.751 16.507 4.946 1.00 7.08 O ATOM 2999 OXT GLU B 92 -5.740 17.773 2.138 1.00 4.64 O ATOM 0 H GLU B 92 -4.005 16.284 -0.361 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.959 15.402 2.240 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -2.691 14.703 2.495 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -2.075 16.143 1.707 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -1.674 16.310 4.082 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -2.849 17.524 3.616 1.00 5.74 H new TER 3006 GLU B 92