USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 71:sc= -2.26! USER MOD Set 1.2: B 45 GLN : amide:sc= -12.1! C(o=-13!,f=-21!) USER MOD Set 1.3: B 85 LYS NZ :NH3+ 152:sc= 1.18 (180deg=1.14) USER MOD Set 2.1: A 15 THR OG1 : rot -145:sc= 0.826 USER MOD Set 2.2: B 15 THR OG1 : rot 137:sc= 0.952 USER MOD Set 3.1: A 45 GLN : amide:sc= -13.9! C(o=-15!,f=-22!) USER MOD Set 3.2: A 85 LYS NZ :NH3+ 151:sc= 1.11 (180deg=0.984) USER MOD Set 3.3: B 7 THR OG1 : rot 73:sc= -1.96! USER MOD Set 4.1: A 59 LYS NZ :NH3+ -122:sc= 0.18 (180deg=-2.58!) USER MOD Set 4.2: B 1 MET CE :methyl -147:sc= -1.29 (180deg=-1.84!) USER MOD Set 5.1: A 1 MET CE :methyl -147:sc= -1.42 (180deg=-1.96!) USER MOD Set 5.2: B 59 LYS NZ :NH3+ -125:sc= -0.0631 (180deg=-2.47!) USER MOD Single : A 1 MET N :NH3+ -165:sc= -2.52! (180deg=-2.73!) USER MOD Single : A 5 THR OG1 : rot 113:sc= -1.4 USER MOD Single : A 18 SER OG : rot -29:sc= 0.563 USER MOD Single : A 19 THR OG1 : rot -70:sc= -0.364 USER MOD Single : A 22 THR OG1 : rot -86:sc= 1.16 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0145 (180deg=-0.209) USER MOD Single : A 32 SER OG : rot -121:sc= -0.978! USER MOD Single : A 34 ASN : amide:sc= -5.01 K(o=-5,f=-13!) USER MOD Single : A 36 ASN : amide:sc= -0.787 X(o=-0.79,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -95:sc= -0.894! USER MOD Single : A 44 GLN : amide:sc= 0.135 X(o=0.14,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -9.85! C(o=-9.9!,f=-14!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 153:sc= -0.261 (180deg=-1.16) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.472 USER MOD Single : A 66 ASN : amide:sc= -2.5 K(o=-2.5,f=-6.5!) USER MOD Single : A 67 GLN : amide:sc= -4.23! C(o=-4.2!,f=-4.6!) USER MOD Single : A 69 SER OG : rot 161:sc= -1.84! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 60:sc= 0.444 USER MOD Single : A 89 LYS NZ :NH3+ -120:sc= -6.25! (180deg=-10.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= -1.89 (180deg=-3.8!) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= 0.733 (180deg=0.274) USER MOD Single : B 1 MET N :NH3+ -173:sc= -2.27! (180deg=-2.36!) USER MOD Single : B 5 THR OG1 : rot 113:sc= -0.576 USER MOD Single : B 18 SER OG : rot -24:sc= 0.405 USER MOD Single : B 19 THR OG1 : rot -61:sc= -0.637 USER MOD Single : B 22 THR OG1 : rot -106:sc= 1.21 USER MOD Single : B 30 LYS NZ :NH3+ -170:sc= -0.0154 (180deg=-0.168) USER MOD Single : B 32 SER OG : rot -114:sc= -1.27 USER MOD Single : B 34 ASN : amide:sc= -6.1 K(o=-6.1,f=-15!) USER MOD Single : B 36 ASN : amide:sc= -0.665 X(o=-0.67,f=-0.98) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -112:sc= 0.267 USER MOD Single : B 44 GLN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : B 48 HIS : no HD1:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 60 MET CE :methyl 137:sc= -0.211 (180deg=-1.09) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 86:sc= 0.422 USER MOD Single : B 66 ASN : amide:sc= -3.18 K(o=-3.2,f=-7.3!) USER MOD Single : B 67 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.6!) USER MOD Single : B 69 SER OG : rot 166:sc= -1.8 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 59:sc= 0.404 USER MOD Single : B 89 LYS NZ :NH3+ -118:sc= -6.03! (180deg=-10.7!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 140:sc= -2.3! (180deg=-5.41!) USER MOD Single : B 98 LYS NZ :NH3+ 156:sc= 0.921 (180deg=0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.289 4.216 -2.664 1.00 0.64 N ATOM 2 CA MET A 1 -17.465 5.409 -2.970 1.00 0.59 C ATOM 3 C MET A 1 -16.193 5.011 -3.704 1.00 0.60 C ATOM 4 O MET A 1 -15.919 3.825 -3.892 1.00 0.61 O ATOM 5 CB MET A 1 -17.104 6.181 -1.691 1.00 0.57 C ATOM 6 CG MET A 1 -18.222 7.116 -1.190 1.00 0.61 C ATOM 7 SD MET A 1 -18.848 8.252 -2.442 1.00 0.96 S ATOM 8 CE MET A 1 -20.259 7.342 -3.063 1.00 1.17 C ATOM 0 H1 MET A 1 -19.249 4.516 -2.400 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.336 3.602 -3.502 1.00 0.64 H new ATOM 0 H3 MET A 1 -17.861 3.692 -1.875 1.00 0.64 H new ATOM 0 HA MET A 1 -18.059 6.060 -3.612 1.00 0.59 H new ATOM 0 HB2 MET A 1 -16.861 5.467 -0.904 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.206 6.771 -1.875 1.00 0.57 H new ATOM 0 HG2 MET A 1 -19.049 6.510 -0.819 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.846 7.694 -0.346 1.00 0.61 H new ATOM 0 HE1 MET A 1 -20.390 7.554 -4.124 1.00 1.17 H new ATOM 0 HE2 MET A 1 -20.093 6.274 -2.924 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.154 7.644 -2.520 1.00 1.17 H new ATOM 20 N ALA A 2 -15.422 6.007 -4.122 1.00 0.62 N ATOM 21 CA ALA A 2 -14.177 5.751 -4.839 1.00 0.65 C ATOM 22 C ALA A 2 -12.975 6.107 -3.994 1.00 0.62 C ATOM 23 O ALA A 2 -13.087 6.843 -3.018 1.00 0.72 O ATOM 24 CB ALA A 2 -14.120 6.519 -6.150 1.00 0.73 C ATOM 0 H ALA A 2 -15.634 6.994 -3.979 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.153 4.684 -5.058 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.179 6.304 -6.657 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.952 6.216 -6.786 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.188 7.588 -5.949 1.00 0.73 H new ATOM 30 N ALA A 3 -11.819 5.583 -4.379 1.00 0.73 N ATOM 31 CA ALA A 3 -10.594 5.865 -3.660 1.00 0.76 C ATOM 32 C ALA A 3 -10.220 7.323 -3.843 1.00 0.66 C ATOM 33 O ALA A 3 -9.327 7.659 -4.621 1.00 0.81 O ATOM 34 CB ALA A 3 -9.470 4.966 -4.145 1.00 1.06 C ATOM 0 H ALA A 3 -11.709 4.964 -5.182 1.00 0.73 H new ATOM 0 HA ALA A 3 -10.753 5.667 -2.600 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -8.558 5.193 -3.593 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -9.742 3.923 -3.982 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.302 5.135 -5.209 1.00 1.06 H new ATOM 40 N GLU A 4 -10.921 8.183 -3.122 1.00 0.63 N ATOM 41 CA GLU A 4 -10.683 9.609 -3.199 1.00 0.75 C ATOM 42 C GLU A 4 -9.312 9.935 -2.583 1.00 0.74 C ATOM 43 O GLU A 4 -8.318 9.309 -2.953 1.00 0.85 O ATOM 44 CB GLU A 4 -11.819 10.356 -2.494 1.00 0.97 C ATOM 45 CG GLU A 4 -11.905 11.848 -2.810 1.00 1.44 C ATOM 46 CD GLU A 4 -10.731 12.391 -3.619 1.00 2.42 C ATOM 47 OE1 GLU A 4 -10.617 12.034 -4.810 1.00 3.03 O ATOM 48 OE2 GLU A 4 -9.933 13.169 -3.057 1.00 3.20 O ATOM 0 H GLU A 4 -11.662 7.913 -2.475 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.666 9.934 -4.239 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -12.765 9.887 -2.765 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.700 10.234 -1.417 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.827 12.038 -3.359 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -11.972 12.402 -1.874 1.00 1.44 H new ATOM 55 N THR A 5 -9.229 10.898 -1.654 1.00 0.69 N ATOM 56 CA THR A 5 -7.947 11.223 -1.047 1.00 0.74 C ATOM 57 C THR A 5 -7.445 10.085 -0.139 1.00 0.61 C ATOM 58 O THR A 5 -7.763 8.919 -0.374 1.00 0.78 O ATOM 59 CB THR A 5 -8.012 12.543 -0.263 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.999 13.410 -0.833 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.652 13.221 -0.297 1.00 1.09 C ATOM 0 H THR A 5 -10.019 11.449 -1.318 1.00 0.69 H new ATOM 0 HA THR A 5 -7.234 11.346 -1.862 1.00 0.74 H new ATOM 0 HB THR A 5 -8.287 12.329 0.770 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.739 13.524 -0.200 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.698 14.157 0.259 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.908 12.566 0.156 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.374 13.426 -1.331 1.00 1.09 H new ATOM 69 N LEU A 6 -6.663 10.420 0.897 1.00 0.54 N ATOM 70 CA LEU A 6 -6.107 9.427 1.797 1.00 0.50 C ATOM 71 C LEU A 6 -7.183 8.779 2.656 1.00 0.49 C ATOM 72 O LEU A 6 -7.589 9.329 3.675 1.00 0.56 O ATOM 73 CB LEU A 6 -5.073 10.083 2.713 1.00 0.61 C ATOM 74 CG LEU A 6 -3.776 10.527 2.050 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.820 12.015 1.752 1.00 1.15 C ATOM 76 CD2 LEU A 6 -2.598 10.199 2.949 1.00 1.07 C ATOM 0 H LEU A 6 -6.406 11.380 1.125 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.641 8.654 1.186 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.533 10.952 3.183 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.828 9.382 3.511 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.658 9.992 1.108 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -2.887 12.319 1.278 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -4.653 12.227 1.082 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -3.952 12.569 2.682 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -1.673 10.519 2.469 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.711 10.718 3.901 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.562 9.124 3.124 1.00 1.07 H new ATOM 88 N THR A 7 -7.630 7.599 2.263 1.00 0.50 N ATOM 89 CA THR A 7 -8.641 6.903 3.036 1.00 0.54 C ATOM 90 C THR A 7 -8.036 6.372 4.324 1.00 0.48 C ATOM 91 O THR A 7 -6.838 6.482 4.538 1.00 0.54 O ATOM 92 CB THR A 7 -9.266 5.733 2.255 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.841 5.768 0.890 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.785 5.779 2.329 1.00 0.83 C ATOM 0 H THR A 7 -7.314 7.109 1.426 1.00 0.50 H new ATOM 0 HA THR A 7 -9.429 7.623 3.256 1.00 0.54 H new ATOM 0 HB THR A 7 -8.929 4.802 2.710 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.893 5.524 0.836 1.00 0.85 H new ATOM 0 HG21 THR A 7 -11.202 4.942 1.769 1.00 0.83 H new ATOM 0 HG22 THR A 7 -11.101 5.713 3.370 1.00 0.83 H new ATOM 0 HG23 THR A 7 -11.142 6.716 1.901 1.00 0.83 H new ATOM 102 N GLU A 8 -8.856 5.754 5.163 1.00 0.45 N ATOM 103 CA GLU A 8 -8.379 5.217 6.440 1.00 0.44 C ATOM 104 C GLU A 8 -7.050 4.482 6.276 1.00 0.41 C ATOM 105 O GLU A 8 -6.258 4.387 7.214 1.00 0.42 O ATOM 106 CB GLU A 8 -9.399 4.258 7.051 1.00 0.50 C ATOM 107 CG GLU A 8 -10.847 4.680 6.864 1.00 0.52 C ATOM 108 CD GLU A 8 -11.090 6.123 7.259 1.00 1.09 C ATOM 109 OE1 GLU A 8 -10.867 7.015 6.414 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.504 6.361 8.413 1.00 1.67 O ATOM 0 H GLU A 8 -9.851 5.610 4.988 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.237 6.069 7.105 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.261 3.271 6.610 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.196 4.162 8.118 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.130 4.540 5.821 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.490 4.031 7.459 1.00 0.52 H new ATOM 117 N LEU A 9 -6.819 3.970 5.076 1.00 0.41 N ATOM 118 CA LEU A 9 -5.611 3.232 4.770 1.00 0.40 C ATOM 119 C LEU A 9 -4.343 4.060 4.970 1.00 0.38 C ATOM 120 O LEU A 9 -3.279 3.502 5.232 1.00 0.39 O ATOM 121 CB LEU A 9 -5.698 2.770 3.325 1.00 0.45 C ATOM 122 CG LEU A 9 -7.041 2.165 2.913 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.883 1.355 1.644 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.632 1.311 4.028 1.00 0.92 C ATOM 0 H LEU A 9 -7.465 4.056 4.291 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.542 2.388 5.457 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.486 3.619 2.676 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.916 2.031 3.149 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.736 2.983 2.723 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.846 0.930 1.361 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.522 2.000 0.843 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -6.167 0.551 1.812 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.586 0.896 3.702 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.946 0.498 4.267 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.788 1.926 4.914 1.00 0.92 H new ATOM 136 N GLU A 10 -4.440 5.387 4.845 1.00 0.38 N ATOM 137 CA GLU A 10 -3.264 6.238 5.035 1.00 0.39 C ATOM 138 C GLU A 10 -2.668 5.949 6.400 1.00 0.38 C ATOM 139 O GLU A 10 -1.456 6.003 6.590 1.00 0.40 O ATOM 140 CB GLU A 10 -3.617 7.715 4.916 1.00 0.46 C ATOM 141 CG GLU A 10 -4.959 8.065 5.517 1.00 0.45 C ATOM 142 CD GLU A 10 -4.909 9.309 6.384 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.102 10.418 5.843 1.00 1.16 O ATOM 144 OE2 GLU A 10 -4.676 9.173 7.604 1.00 1.27 O ATOM 0 H GLU A 10 -5.300 5.886 4.618 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.538 6.014 4.253 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.843 8.306 5.406 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.615 7.997 3.863 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.683 8.215 4.716 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.314 7.225 6.114 1.00 0.45 H new ATOM 151 N ALA A 11 -3.540 5.635 7.359 1.00 0.39 N ATOM 152 CA ALA A 11 -3.092 5.279 8.697 1.00 0.39 C ATOM 153 C ALA A 11 -2.082 4.151 8.583 1.00 0.36 C ATOM 154 O ALA A 11 -1.176 4.013 9.407 1.00 0.39 O ATOM 155 CB ALA A 11 -4.267 4.854 9.564 1.00 0.42 C ATOM 0 H ALA A 11 -4.552 5.621 7.232 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.629 6.145 9.170 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.909 4.592 10.560 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -4.980 5.675 9.639 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.756 3.989 9.116 1.00 0.42 H new ATOM 161 N ALA A 12 -2.258 3.342 7.539 1.00 0.33 N ATOM 162 CA ALA A 12 -1.358 2.238 7.267 1.00 0.33 C ATOM 163 C ALA A 12 -0.011 2.767 6.800 1.00 0.33 C ATOM 164 O ALA A 12 1.024 2.144 7.037 1.00 0.34 O ATOM 165 CB ALA A 12 -1.956 1.298 6.230 1.00 0.34 C ATOM 0 H ALA A 12 -3.021 3.437 6.869 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.211 1.673 8.187 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.264 0.477 6.041 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.900 0.899 6.602 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.133 1.844 5.303 1.00 0.34 H new ATOM 171 N ILE A 13 -0.023 3.926 6.130 1.00 0.36 N ATOM 172 CA ILE A 13 1.217 4.530 5.664 1.00 0.40 C ATOM 173 C ILE A 13 2.187 4.656 6.842 1.00 0.39 C ATOM 174 O ILE A 13 3.402 4.588 6.673 1.00 0.42 O ATOM 175 CB ILE A 13 1.005 5.927 5.011 1.00 0.47 C ATOM 176 CG1 ILE A 13 0.266 5.797 3.674 1.00 0.90 C ATOM 177 CG2 ILE A 13 2.338 6.640 4.791 1.00 0.99 C ATOM 178 CD1 ILE A 13 -0.311 7.105 3.181 1.00 2.05 C ATOM 0 H ILE A 13 -0.867 4.452 5.904 1.00 0.36 H new ATOM 0 HA ILE A 13 1.626 3.879 4.891 1.00 0.40 H new ATOM 0 HB ILE A 13 0.399 6.520 5.697 1.00 0.47 H new ATOM 0 HG12 ILE A 13 0.953 5.405 2.924 1.00 0.90 H new ATOM 0 HG13 ILE A 13 -0.539 5.070 3.781 1.00 0.90 H new ATOM 0 HG21 ILE A 13 2.159 7.613 4.334 1.00 0.99 H new ATOM 0 HG22 ILE A 13 2.840 6.776 5.749 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.967 6.040 4.133 1.00 0.99 H new ATOM 0 HD11 ILE A 13 -0.820 6.943 2.231 1.00 2.05 H new ATOM 0 HD12 ILE A 13 -1.022 7.488 3.913 1.00 2.05 H new ATOM 0 HD13 ILE A 13 0.493 7.828 3.043 1.00 2.05 H new ATOM 190 N GLU A 14 1.616 4.826 8.039 1.00 0.39 N ATOM 191 CA GLU A 14 2.392 4.971 9.266 1.00 0.42 C ATOM 192 C GLU A 14 3.214 3.720 9.569 1.00 0.38 C ATOM 193 O GLU A 14 4.380 3.817 9.950 1.00 0.46 O ATOM 194 CB GLU A 14 1.465 5.275 10.444 1.00 0.46 C ATOM 195 CG GLU A 14 0.753 6.613 10.328 1.00 0.79 C ATOM 196 CD GLU A 14 1.714 7.785 10.287 1.00 1.46 C ATOM 197 OE1 GLU A 14 2.076 8.295 11.368 1.00 2.02 O ATOM 198 OE2 GLU A 14 2.107 8.193 9.173 1.00 2.25 O ATOM 0 H GLU A 14 0.607 4.866 8.180 1.00 0.39 H new ATOM 0 HA GLU A 14 3.083 5.801 9.119 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.721 4.483 10.524 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.046 5.261 11.366 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.142 6.618 9.425 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.075 6.734 11.173 1.00 0.79 H new ATOM 205 N THR A 15 2.607 2.545 9.413 1.00 0.30 N ATOM 206 CA THR A 15 3.321 1.301 9.677 1.00 0.28 C ATOM 207 C THR A 15 4.427 1.113 8.652 1.00 0.29 C ATOM 208 O THR A 15 5.599 0.961 8.993 1.00 0.35 O ATOM 209 CB THR A 15 2.384 0.080 9.625 1.00 0.28 C ATOM 210 OG1 THR A 15 1.339 0.212 10.594 1.00 0.29 O ATOM 211 CG2 THR A 15 3.155 -1.208 9.881 1.00 0.32 C ATOM 0 H THR A 15 1.640 2.430 9.111 1.00 0.30 H new ATOM 0 HA THR A 15 3.739 1.373 10.681 1.00 0.28 H new ATOM 0 HB THR A 15 1.947 0.035 8.627 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.115 -0.671 10.956 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.471 -2.056 9.839 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.927 -1.327 9.121 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.619 -1.165 10.866 1.00 0.32 H new ATOM 219 N VAL A 16 4.027 1.136 7.392 1.00 0.27 N ATOM 220 CA VAL A 16 4.947 0.974 6.280 1.00 0.28 C ATOM 221 C VAL A 16 6.031 2.046 6.287 1.00 0.30 C ATOM 222 O VAL A 16 7.193 1.764 5.996 1.00 0.36 O ATOM 223 CB VAL A 16 4.183 1.047 4.952 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.507 2.396 4.820 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.115 0.805 3.781 1.00 0.33 C ATOM 0 H VAL A 16 3.055 1.268 7.111 1.00 0.27 H new ATOM 0 HA VAL A 16 5.422 -0.001 6.388 1.00 0.28 H new ATOM 0 HB VAL A 16 3.422 0.267 4.945 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.966 2.441 3.875 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.808 2.535 5.645 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.260 3.184 4.845 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.551 0.861 2.850 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.899 1.562 3.777 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.566 -0.183 3.873 1.00 0.33 H new ATOM 235 N VAL A 17 5.649 3.274 6.620 1.00 0.31 N ATOM 236 CA VAL A 17 6.600 4.376 6.647 1.00 0.33 C ATOM 237 C VAL A 17 7.497 4.301 7.882 1.00 0.30 C ATOM 238 O VAL A 17 8.698 4.562 7.813 1.00 0.32 O ATOM 239 CB VAL A 17 5.893 5.748 6.608 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.218 6.066 7.937 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.881 6.844 6.234 1.00 0.50 C ATOM 0 H VAL A 17 4.694 3.529 6.873 1.00 0.31 H new ATOM 0 HA VAL A 17 7.214 4.279 5.752 1.00 0.33 H new ATOM 0 HB VAL A 17 5.116 5.701 5.845 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.730 7.039 7.874 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.474 5.301 8.160 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.966 6.086 8.729 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.367 7.805 6.211 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.682 6.879 6.972 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.302 6.634 5.251 1.00 0.50 H new ATOM 251 N SER A 18 6.897 3.951 9.014 1.00 0.33 N ATOM 252 CA SER A 18 7.633 3.850 10.268 1.00 0.40 C ATOM 253 C SER A 18 8.389 2.527 10.379 1.00 0.44 C ATOM 254 O SER A 18 9.192 2.344 11.289 1.00 0.59 O ATOM 255 CB SER A 18 6.680 4.002 11.455 1.00 0.51 C ATOM 256 OG SER A 18 7.375 3.891 12.685 1.00 1.32 O ATOM 0 H SER A 18 5.903 3.733 9.089 1.00 0.33 H new ATOM 0 HA SER A 18 8.366 4.657 10.282 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.180 4.969 11.402 1.00 0.51 H new ATOM 0 HB3 SER A 18 5.904 3.239 11.402 1.00 0.51 H new ATOM 0 HG SER A 18 8.159 3.315 12.567 1.00 1.32 H new ATOM 262 N THR A 19 8.095 1.587 9.494 1.00 0.37 N ATOM 263 CA THR A 19 8.783 0.298 9.512 1.00 0.44 C ATOM 264 C THR A 19 10.111 0.292 8.735 1.00 0.46 C ATOM 265 O THR A 19 11.170 0.598 9.284 1.00 0.54 O ATOM 266 CB THR A 19 7.873 -0.852 9.009 1.00 0.45 C ATOM 267 OG1 THR A 19 7.158 -0.476 7.815 1.00 0.42 O ATOM 268 CG2 THR A 19 6.879 -1.262 10.088 1.00 0.49 C ATOM 0 H THR A 19 7.393 1.687 8.761 1.00 0.37 H new ATOM 0 HA THR A 19 9.026 0.128 10.561 1.00 0.44 H new ATOM 0 HB THR A 19 8.520 -1.697 8.773 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.485 0.201 8.036 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.250 -2.070 9.715 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.420 -1.601 10.971 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.255 -0.408 10.351 1.00 0.49 H new ATOM 276 N PHE A 20 10.027 -0.058 7.454 1.00 0.45 N ATOM 277 CA PHE A 20 11.179 -0.178 6.565 1.00 0.54 C ATOM 278 C PHE A 20 11.596 1.156 6.010 1.00 0.52 C ATOM 279 O PHE A 20 12.785 1.446 5.876 1.00 0.64 O ATOM 280 CB PHE A 20 10.810 -1.134 5.426 1.00 0.60 C ATOM 281 CG PHE A 20 11.748 -1.111 4.251 1.00 0.72 C ATOM 282 CD1 PHE A 20 13.085 -1.430 4.406 1.00 1.60 C ATOM 283 CD2 PHE A 20 11.285 -0.778 2.989 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.939 -1.418 3.327 1.00 1.77 C ATOM 285 CE2 PHE A 20 12.132 -0.767 1.909 1.00 1.37 C ATOM 286 CZ PHE A 20 13.457 -1.088 2.076 1.00 1.18 C ATOM 0 H PHE A 20 9.140 -0.270 6.997 1.00 0.45 H new ATOM 0 HA PHE A 20 12.025 -0.566 7.131 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.771 -2.149 5.821 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.807 -0.889 5.076 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.462 -1.691 5.384 1.00 1.60 H new ATOM 0 HD2 PHE A 20 10.244 -0.524 2.853 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.982 -1.666 3.458 1.00 1.77 H new ATOM 0 HE2 PHE A 20 11.757 -0.507 0.930 1.00 1.37 H new ATOM 0 HZ PHE A 20 14.124 -1.082 1.226 1.00 1.18 H new ATOM 296 N PHE A 21 10.616 1.966 5.691 1.00 0.44 N ATOM 297 CA PHE A 21 10.885 3.266 5.139 1.00 0.47 C ATOM 298 C PHE A 21 11.751 4.061 6.091 1.00 0.49 C ATOM 299 O PHE A 21 12.373 5.046 5.705 1.00 0.62 O ATOM 300 CB PHE A 21 9.566 3.971 4.827 1.00 0.48 C ATOM 301 CG PHE A 21 8.713 3.248 3.798 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.142 2.051 3.231 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.476 3.753 3.407 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.360 1.383 2.309 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.694 3.084 2.484 1.00 1.13 C ATOM 306 CZ PHE A 21 7.135 1.899 1.937 1.00 0.54 C ATOM 0 H PHE A 21 9.627 1.746 5.805 1.00 0.44 H new ATOM 0 HA PHE A 21 11.437 3.170 4.204 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.994 4.077 5.749 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.779 4.977 4.466 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.099 1.639 3.516 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.122 4.681 3.831 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.708 0.456 1.878 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.737 3.490 2.192 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.523 1.374 1.218 1.00 0.54 H new ATOM 316 N THR A 22 11.799 3.630 7.343 1.00 0.47 N ATOM 317 CA THR A 22 12.655 4.302 8.299 1.00 0.54 C ATOM 318 C THR A 22 14.107 4.198 7.858 1.00 0.49 C ATOM 319 O THR A 22 14.958 4.959 8.317 1.00 0.54 O ATOM 320 CB THR A 22 12.518 3.713 9.699 1.00 0.66 C ATOM 321 OG1 THR A 22 12.918 2.354 9.679 1.00 0.66 O ATOM 322 CG2 THR A 22 11.094 3.841 10.182 1.00 0.81 C ATOM 0 H THR A 22 11.269 2.839 7.710 1.00 0.47 H new ATOM 0 HA THR A 22 12.344 5.346 8.335 1.00 0.54 H new ATOM 0 HB THR A 22 13.161 4.262 10.387 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.157 1.793 9.423 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.010 3.417 11.183 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.812 4.894 10.209 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.430 3.305 9.504 1.00 0.81 H new ATOM 330 N PHE A 23 14.395 3.246 6.960 1.00 0.49 N ATOM 331 CA PHE A 23 15.759 3.079 6.477 1.00 0.51 C ATOM 332 C PHE A 23 16.180 4.323 5.689 1.00 0.44 C ATOM 333 O PHE A 23 17.358 4.516 5.397 1.00 0.45 O ATOM 334 CB PHE A 23 15.918 1.747 5.705 1.00 0.68 C ATOM 335 CG PHE A 23 16.055 1.832 4.218 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.171 2.401 3.627 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.083 1.289 3.413 1.00 1.47 C ATOM 338 CE1 PHE A 23 17.308 2.421 2.261 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.202 1.321 2.047 1.00 1.88 C ATOM 340 CZ PHE A 23 16.319 1.884 1.470 1.00 1.82 C ATOM 0 H PHE A 23 13.715 2.597 6.565 1.00 0.49 H new ATOM 0 HA PHE A 23 16.448 2.997 7.318 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.795 1.232 6.096 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.054 1.121 5.930 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.942 2.834 4.247 1.00 1.46 H new ATOM 0 HD2 PHE A 23 14.214 0.831 3.862 1.00 1.47 H new ATOM 0 HE1 PHE A 23 18.188 2.856 1.810 1.00 1.93 H new ATOM 0 HE2 PHE A 23 14.422 0.906 1.426 1.00 1.88 H new ATOM 0 HZ PHE A 23 16.418 1.904 0.395 1.00 1.82 H new ATOM 350 N ALA A 24 15.205 5.195 5.374 1.00 0.50 N ATOM 351 CA ALA A 24 15.499 6.461 4.689 1.00 0.58 C ATOM 352 C ALA A 24 16.692 7.111 5.359 1.00 0.60 C ATOM 353 O ALA A 24 17.548 7.721 4.718 1.00 0.65 O ATOM 354 CB ALA A 24 14.305 7.401 4.768 1.00 0.71 C ATOM 0 H ALA A 24 14.217 5.046 5.581 1.00 0.50 H new ATOM 0 HA ALA A 24 15.714 6.259 3.640 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.541 8.333 4.255 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.442 6.934 4.293 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.075 7.610 5.813 1.00 0.71 H new ATOM 360 N GLY A 25 16.716 6.953 6.677 1.00 0.68 N ATOM 361 CA GLY A 25 17.797 7.471 7.493 1.00 0.81 C ATOM 362 C GLY A 25 19.157 7.280 6.844 1.00 0.71 C ATOM 363 O GLY A 25 20.078 8.064 7.071 1.00 0.80 O ATOM 0 H GLY A 25 15.991 6.465 7.203 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.632 8.532 7.678 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.787 6.973 8.463 1.00 0.81 H new ATOM 367 N ARG A 26 19.278 6.229 6.027 1.00 0.60 N ATOM 368 CA ARG A 26 20.522 5.937 5.313 1.00 0.59 C ATOM 369 C ARG A 26 21.117 7.219 4.736 1.00 0.57 C ATOM 370 O ARG A 26 22.305 7.495 4.892 1.00 0.71 O ATOM 371 CB ARG A 26 20.253 4.939 4.185 1.00 0.61 C ATOM 372 CG ARG A 26 21.456 4.672 3.295 1.00 1.17 C ATOM 373 CD ARG A 26 22.288 3.518 3.820 1.00 0.97 C ATOM 374 NE ARG A 26 23.519 3.337 3.056 1.00 1.55 N ATOM 375 CZ ARG A 26 24.437 2.419 3.342 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.260 1.599 4.369 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.532 2.319 2.600 1.00 2.82 N ATOM 0 H ARG A 26 18.526 5.565 5.844 1.00 0.60 H new ATOM 0 HA ARG A 26 21.234 5.504 6.015 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.919 3.997 4.620 1.00 0.61 H new ATOM 0 HB3 ARG A 26 19.435 5.314 3.570 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.119 4.449 2.283 1.00 1.17 H new ATOM 0 HG3 ARG A 26 22.072 5.569 3.235 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.534 3.696 4.867 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.700 2.601 3.782 1.00 0.97 H new ATOM 0 HE ARG A 26 23.684 3.950 2.257 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.419 1.672 4.941 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.965 0.895 4.587 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.671 2.947 1.808 1.00 2.82 H new ATOM 0 HH22 ARG A 26 26.235 1.614 2.821 1.00 2.82 H new ATOM 391 N GLU A 27 20.269 7.994 4.068 1.00 0.50 N ATOM 392 CA GLU A 27 20.688 9.256 3.482 1.00 0.58 C ATOM 393 C GLU A 27 20.532 10.375 4.509 1.00 0.80 C ATOM 394 O GLU A 27 19.453 10.574 5.065 1.00 1.27 O ATOM 395 CB GLU A 27 19.861 9.561 2.229 1.00 0.98 C ATOM 396 CG GLU A 27 19.871 8.436 1.205 1.00 0.85 C ATOM 397 CD GLU A 27 21.270 8.059 0.763 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.883 7.185 1.413 1.00 1.78 O ATOM 399 OE2 GLU A 27 21.754 8.634 -0.235 1.00 1.63 O ATOM 0 H GLU A 27 19.286 7.767 3.920 1.00 0.50 H new ATOM 0 HA GLU A 27 21.736 9.184 3.191 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.831 9.764 2.524 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.244 10.469 1.763 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.380 7.560 1.629 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.288 8.738 0.335 1.00 0.85 H new ATOM 406 N GLY A 28 21.619 11.097 4.755 1.00 1.33 N ATOM 407 CA GLY A 28 21.607 12.172 5.735 1.00 1.88 C ATOM 408 C GLY A 28 20.343 13.010 5.727 1.00 1.36 C ATOM 409 O GLY A 28 19.404 12.736 6.473 1.00 1.58 O ATOM 0 H GLY A 28 22.516 10.957 4.290 1.00 1.33 H new ATOM 0 HA2 GLY A 28 21.739 11.744 6.729 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.462 12.823 5.553 1.00 1.88 H new ATOM 413 N ARG A 29 20.333 14.040 4.887 1.00 1.16 N ATOM 414 CA ARG A 29 19.198 14.954 4.786 1.00 1.06 C ATOM 415 C ARG A 29 17.859 14.218 4.833 1.00 1.13 C ATOM 416 O ARG A 29 17.802 12.996 4.692 1.00 1.73 O ATOM 417 CB ARG A 29 19.302 15.766 3.489 1.00 1.38 C ATOM 418 CG ARG A 29 18.208 16.810 3.319 1.00 1.78 C ATOM 419 CD ARG A 29 18.429 17.652 2.073 1.00 2.37 C ATOM 420 NE ARG A 29 18.521 16.830 0.869 1.00 2.89 N ATOM 421 CZ ARG A 29 18.873 17.304 -0.321 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.160 18.591 -0.467 1.00 3.91 N ATOM 423 NH2 ARG A 29 18.941 16.491 -1.366 1.00 4.31 N ATOM 0 H ARG A 29 21.106 14.265 4.260 1.00 1.16 H new ATOM 0 HA ARG A 29 19.234 15.621 5.647 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.271 16.264 3.462 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.271 15.082 2.641 1.00 1.38 H new ATOM 0 HG2 ARG A 29 17.238 16.316 3.258 1.00 1.78 H new ATOM 0 HG3 ARG A 29 18.181 17.457 4.196 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.610 18.363 1.965 1.00 2.37 H new ATOM 0 HD3 ARG A 29 19.344 18.234 2.186 1.00 2.37 H new ATOM 0 HE ARG A 29 18.303 15.837 0.946 1.00 2.89 H new ATOM 0 HH11 ARG A 29 19.111 19.219 0.335 1.00 3.91 H new ATOM 0 HH12 ARG A 29 19.430 18.953 -1.382 1.00 3.91 H new ATOM 0 HH21 ARG A 29 18.723 15.501 -1.257 1.00 4.31 H new ATOM 0 HH22 ARG A 29 19.211 16.856 -2.279 1.00 4.31 H new ATOM 437 N LYS A 30 16.782 14.977 5.015 1.00 1.04 N ATOM 438 CA LYS A 30 15.446 14.407 5.063 1.00 1.47 C ATOM 439 C LYS A 30 14.811 14.522 3.691 1.00 1.32 C ATOM 440 O LYS A 30 13.796 15.192 3.516 1.00 1.64 O ATOM 441 CB LYS A 30 14.569 15.146 6.082 1.00 2.03 C ATOM 442 CG LYS A 30 15.339 15.717 7.260 1.00 2.65 C ATOM 443 CD LYS A 30 16.068 14.631 8.032 1.00 3.51 C ATOM 444 CE LYS A 30 16.783 15.202 9.246 1.00 4.01 C ATOM 445 NZ LYS A 30 17.773 16.247 8.865 1.00 4.77 N ATOM 0 H LYS A 30 16.812 15.990 5.132 1.00 1.04 H new ATOM 0 HA LYS A 30 15.524 13.362 5.364 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.046 15.957 5.575 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.808 14.461 6.456 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.058 16.455 6.902 1.00 2.65 H new ATOM 0 HG3 LYS A 30 14.652 16.239 7.926 1.00 2.65 H new ATOM 0 HD2 LYS A 30 15.357 13.869 8.351 1.00 3.51 H new ATOM 0 HD3 LYS A 30 16.790 14.140 7.379 1.00 3.51 H new ATOM 0 HE2 LYS A 30 16.051 15.628 9.932 1.00 4.01 H new ATOM 0 HE3 LYS A 30 17.290 14.399 9.780 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 18.389 16.454 9.677 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 18.350 15.905 8.070 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 17.272 17.113 8.581 1.00 4.77 H new ATOM 459 N GLY A 31 15.434 13.871 2.718 1.00 0.95 N ATOM 460 CA GLY A 31 14.933 13.896 1.360 1.00 0.88 C ATOM 461 C GLY A 31 14.237 12.620 0.991 1.00 0.80 C ATOM 462 O GLY A 31 13.022 12.576 0.921 1.00 0.85 O ATOM 0 H GLY A 31 16.284 13.322 2.848 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.242 14.731 1.244 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.761 14.069 0.672 1.00 0.88 H new ATOM 466 N SER A 32 14.987 11.595 0.668 1.00 0.74 N ATOM 467 CA SER A 32 14.363 10.329 0.372 1.00 0.71 C ATOM 468 C SER A 32 15.197 9.167 0.832 1.00 0.70 C ATOM 469 O SER A 32 16.339 9.306 1.268 1.00 0.74 O ATOM 470 CB SER A 32 14.026 10.164 -1.105 1.00 0.68 C ATOM 471 OG SER A 32 15.099 10.568 -1.935 1.00 1.10 O ATOM 0 H SER A 32 16.005 11.609 0.604 1.00 0.74 H new ATOM 0 HA SER A 32 13.427 10.334 0.931 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.781 9.121 -1.308 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.140 10.752 -1.344 1.00 0.68 H new ATOM 0 HG SER A 32 14.802 11.293 -2.524 1.00 1.10 H new ATOM 477 N LEU A 33 14.583 8.023 0.716 1.00 0.72 N ATOM 478 CA LEU A 33 15.191 6.765 1.050 1.00 0.74 C ATOM 479 C LEU A 33 15.685 6.155 -0.236 1.00 0.56 C ATOM 480 O LEU A 33 15.212 6.549 -1.299 1.00 0.52 O ATOM 481 CB LEU A 33 14.169 5.892 1.717 1.00 0.99 C ATOM 482 CG LEU A 33 14.480 4.412 1.777 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.893 3.833 3.046 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.902 3.722 0.557 1.00 1.69 C ATOM 0 H LEU A 33 13.624 7.937 0.379 1.00 0.72 H new ATOM 0 HA LEU A 33 16.026 6.884 1.740 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.026 6.252 2.736 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.220 6.020 1.197 1.00 0.99 H new ATOM 0 HG LEU A 33 15.559 4.257 1.783 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.114 2.767 3.095 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.329 4.334 3.910 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.813 3.981 3.048 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.127 2.656 0.601 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.822 3.865 0.536 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.342 4.148 -0.345 1.00 1.69 H new ATOM 496 N ASN A 34 16.661 5.255 -0.193 1.00 0.57 N ATOM 497 CA ASN A 34 17.175 4.727 -1.431 1.00 0.47 C ATOM 498 C ASN A 34 17.102 3.196 -1.506 1.00 0.41 C ATOM 499 O ASN A 34 16.017 2.630 -1.444 1.00 0.56 O ATOM 500 CB ASN A 34 18.588 5.268 -1.609 1.00 0.56 C ATOM 501 CG ASN A 34 19.042 5.264 -3.057 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.625 4.290 -3.535 1.00 2.12 O ATOM 503 ND2 ASN A 34 18.778 6.356 -3.766 1.00 2.11 N ATOM 0 H ASN A 34 17.093 4.892 0.657 1.00 0.57 H new ATOM 0 HA ASN A 34 16.549 5.057 -2.260 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.634 6.286 -1.222 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.279 4.670 -1.015 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.061 6.409 -4.745 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.293 7.141 -3.332 1.00 2.11 H new ATOM 510 N ILE A 35 18.233 2.525 -1.706 1.00 0.54 N ATOM 511 CA ILE A 35 18.240 1.079 -1.768 1.00 0.54 C ATOM 512 C ILE A 35 19.464 0.496 -1.093 1.00 0.56 C ATOM 513 O ILE A 35 19.943 -0.576 -1.462 1.00 0.63 O ATOM 514 CB ILE A 35 18.152 0.538 -3.205 1.00 0.60 C ATOM 515 CG1 ILE A 35 18.900 1.458 -4.164 1.00 0.70 C ATOM 516 CG2 ILE A 35 16.699 0.369 -3.624 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.340 1.683 -3.771 1.00 1.05 C ATOM 0 H ILE A 35 19.147 2.962 -1.826 1.00 0.54 H new ATOM 0 HA ILE A 35 17.344 0.764 -1.233 1.00 0.54 H new ATOM 0 HB ILE A 35 18.625 -0.443 -3.240 1.00 0.60 H new ATOM 0 HG12 ILE A 35 18.866 1.032 -5.167 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.388 2.419 -4.209 1.00 0.70 H new ATOM 0 HG21 ILE A 35 16.657 -0.015 -4.643 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.206 -0.333 -2.951 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.193 1.333 -3.578 1.00 0.66 H new ATOM 0 HD11 ILE A 35 20.815 2.346 -4.494 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.380 2.137 -2.781 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.866 0.728 -3.754 1.00 1.05 H new ATOM 529 N ASN A 36 19.963 1.204 -0.099 1.00 0.59 N ATOM 530 CA ASN A 36 21.118 0.750 0.647 1.00 0.63 C ATOM 531 C ASN A 36 20.662 -0.269 1.665 1.00 0.59 C ATOM 532 O ASN A 36 21.096 -1.420 1.649 1.00 0.59 O ATOM 533 CB ASN A 36 21.807 1.928 1.329 1.00 0.70 C ATOM 534 CG ASN A 36 22.394 2.912 0.334 1.00 1.33 C ATOM 535 OD1 ASN A 36 21.727 3.856 -0.091 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.650 2.697 -0.043 1.00 1.89 N ATOM 0 H ASN A 36 19.584 2.099 0.211 1.00 0.59 H new ATOM 0 HA ASN A 36 21.840 0.291 -0.028 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.090 2.445 1.967 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.600 1.555 1.978 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.097 3.327 -0.709 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.167 1.902 0.334 1.00 1.89 H new ATOM 543 N GLU A 37 19.796 0.156 2.565 1.00 0.57 N ATOM 544 CA GLU A 37 19.252 -0.762 3.544 1.00 0.56 C ATOM 545 C GLU A 37 18.131 -1.573 2.912 1.00 0.50 C ATOM 546 O GLU A 37 17.766 -2.631 3.420 1.00 0.52 O ATOM 547 CB GLU A 37 18.771 -0.034 4.779 1.00 0.66 C ATOM 548 CG GLU A 37 19.636 1.159 5.130 1.00 0.75 C ATOM 549 CD GLU A 37 19.286 1.768 6.474 1.00 0.76 C ATOM 550 OE1 GLU A 37 18.399 2.646 6.517 1.00 1.29 O ATOM 551 OE2 GLU A 37 19.898 1.365 7.486 1.00 1.40 O ATOM 0 H GLU A 37 19.459 1.116 2.638 1.00 0.57 H new ATOM 0 HA GLU A 37 20.043 -1.440 3.864 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.745 0.300 4.622 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.756 -0.726 5.621 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.682 0.853 5.137 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.531 1.918 4.355 1.00 0.75 H new ATOM 558 N PHE A 38 17.567 -1.076 1.798 1.00 0.46 N ATOM 559 CA PHE A 38 16.554 -1.823 1.081 1.00 0.42 C ATOM 560 C PHE A 38 17.126 -3.193 0.768 1.00 0.45 C ATOM 561 O PHE A 38 16.402 -4.179 0.672 1.00 0.45 O ATOM 562 CB PHE A 38 16.181 -1.076 -0.209 1.00 0.43 C ATOM 563 CG PHE A 38 15.007 -1.642 -0.964 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.034 -2.937 -1.453 1.00 1.30 C ATOM 565 CD2 PHE A 38 13.879 -0.870 -1.189 1.00 1.21 C ATOM 566 CE1 PHE A 38 13.956 -3.453 -2.146 1.00 1.32 C ATOM 567 CE2 PHE A 38 12.799 -1.379 -1.884 1.00 1.21 C ATOM 568 CZ PHE A 38 12.837 -2.673 -2.361 1.00 0.45 C ATOM 0 H PHE A 38 17.800 -0.171 1.389 1.00 0.46 H new ATOM 0 HA PHE A 38 15.649 -1.930 1.679 1.00 0.42 H new ATOM 0 HB2 PHE A 38 15.964 -0.038 0.042 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.048 -1.070 -0.870 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.908 -3.551 -1.291 1.00 1.30 H new ATOM 0 HD2 PHE A 38 13.843 0.143 -0.816 1.00 1.21 H new ATOM 0 HE1 PHE A 38 13.988 -4.466 -2.519 1.00 1.32 H new ATOM 0 HE2 PHE A 38 11.927 -0.765 -2.054 1.00 1.21 H new ATOM 0 HZ PHE A 38 11.993 -3.075 -2.902 1.00 0.45 H new ATOM 578 N LYS A 39 18.457 -3.247 0.679 1.00 0.49 N ATOM 579 CA LYS A 39 19.152 -4.482 0.395 1.00 0.53 C ATOM 580 C LYS A 39 18.893 -5.541 1.451 1.00 0.53 C ATOM 581 O LYS A 39 19.172 -6.724 1.265 1.00 0.56 O ATOM 582 CB LYS A 39 20.638 -4.220 0.223 1.00 0.61 C ATOM 583 CG LYS A 39 20.897 -3.102 -0.753 1.00 0.67 C ATOM 584 CD LYS A 39 21.670 -3.589 -1.969 1.00 0.71 C ATOM 585 CE LYS A 39 23.061 -4.071 -1.592 1.00 1.47 C ATOM 586 NZ LYS A 39 23.781 -4.653 -2.759 1.00 1.80 N ATOM 0 H LYS A 39 19.068 -2.440 0.802 1.00 0.49 H new ATOM 0 HA LYS A 39 18.759 -4.878 -0.541 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.078 -3.969 1.188 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.130 -5.128 -0.125 1.00 0.61 H new ATOM 0 HG2 LYS A 39 19.949 -2.670 -1.073 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.458 -2.309 -0.258 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.121 -4.399 -2.449 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.749 -2.782 -2.698 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.637 -3.238 -1.188 1.00 1.47 H new ATOM 0 HE3 LYS A 39 22.985 -4.819 -0.802 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 24.726 -4.970 -2.461 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.244 -5.463 -3.129 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.876 -3.932 -3.503 1.00 1.80 H new ATOM 600 N GLU A 40 18.383 -5.091 2.561 1.00 0.52 N ATOM 601 CA GLU A 40 18.013 -5.968 3.654 1.00 0.56 C ATOM 602 C GLU A 40 16.647 -6.576 3.359 1.00 0.54 C ATOM 603 O GLU A 40 16.207 -7.512 4.027 1.00 0.60 O ATOM 604 CB GLU A 40 17.978 -5.178 4.958 1.00 0.60 C ATOM 605 CG GLU A 40 19.176 -4.271 5.106 1.00 1.09 C ATOM 606 CD GLU A 40 20.404 -5.001 5.614 1.00 1.91 C ATOM 607 OE1 GLU A 40 21.144 -5.569 4.783 1.00 2.62 O ATOM 608 OE2 GLU A 40 20.625 -5.007 6.844 1.00 2.43 O ATOM 0 H GLU A 40 18.208 -4.103 2.742 1.00 0.52 H new ATOM 0 HA GLU A 40 18.746 -6.768 3.756 1.00 0.56 H new ATOM 0 HB2 GLU A 40 17.066 -4.582 4.996 1.00 0.60 H new ATOM 0 HB3 GLU A 40 17.942 -5.870 5.799 1.00 0.60 H new ATOM 0 HG2 GLU A 40 19.402 -3.815 4.142 1.00 1.09 H new ATOM 0 HG3 GLU A 40 18.930 -3.461 5.792 1.00 1.09 H new ATOM 615 N LEU A 41 15.976 -6.015 2.349 1.00 0.49 N ATOM 616 CA LEU A 41 14.662 -6.483 1.941 1.00 0.50 C ATOM 617 C LEU A 41 14.707 -7.860 1.294 1.00 0.55 C ATOM 618 O LEU A 41 14.666 -8.865 2.004 1.00 0.62 O ATOM 619 CB LEU A 41 13.986 -5.492 0.987 1.00 0.46 C ATOM 620 CG LEU A 41 13.661 -4.115 1.553 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.546 -3.478 0.742 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.282 -4.197 3.027 1.00 0.66 C ATOM 0 H LEU A 41 16.330 -5.232 1.800 1.00 0.49 H new ATOM 0 HA LEU A 41 14.074 -6.559 2.856 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.632 -5.360 0.119 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.059 -5.941 0.630 1.00 0.46 H new ATOM 0 HG LEU A 41 14.552 -3.492 1.482 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.316 -2.494 1.150 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.863 -3.376 -0.296 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.657 -4.107 0.789 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.056 -3.198 3.401 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.405 -4.835 3.142 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.113 -4.617 3.594 1.00 0.66 H new ATOM 634 N ALA A 42 14.781 -7.915 -0.053 1.00 0.55 N ATOM 635 CA ALA A 42 14.771 -9.180 -0.788 1.00 0.61 C ATOM 636 C ALA A 42 15.505 -10.272 -0.044 1.00 0.67 C ATOM 637 O ALA A 42 15.083 -11.418 -0.024 1.00 0.74 O ATOM 638 CB ALA A 42 15.385 -8.987 -2.140 1.00 0.65 C ATOM 0 H ALA A 42 14.848 -7.089 -0.648 1.00 0.55 H new ATOM 0 HA ALA A 42 13.732 -9.492 -0.894 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.375 -9.932 -2.683 1.00 0.65 H new ATOM 0 HB2 ALA A 42 14.814 -8.243 -2.696 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.414 -8.645 -2.027 1.00 0.65 H new ATOM 644 N THR A 43 16.547 -9.878 0.639 1.00 0.66 N ATOM 645 CA THR A 43 17.360 -10.788 1.378 1.00 0.73 C ATOM 646 C THR A 43 16.521 -11.564 2.399 1.00 0.78 C ATOM 647 O THR A 43 16.517 -12.794 2.400 1.00 0.86 O ATOM 648 CB THR A 43 18.487 -9.988 2.044 1.00 0.72 C ATOM 649 OG1 THR A 43 18.004 -8.687 2.442 1.00 0.66 O ATOM 650 CG2 THR A 43 19.655 -9.818 1.082 1.00 0.75 C ATOM 0 H THR A 43 16.852 -8.906 0.694 1.00 0.66 H new ATOM 0 HA THR A 43 17.797 -11.533 0.713 1.00 0.73 H new ATOM 0 HB THR A 43 18.824 -10.535 2.924 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.215 -8.032 1.744 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.447 -9.248 1.568 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.036 -10.798 0.796 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.319 -9.285 0.192 1.00 0.75 H new ATOM 658 N GLN A 44 15.831 -10.844 3.278 1.00 0.77 N ATOM 659 CA GLN A 44 14.967 -11.459 4.271 1.00 0.85 C ATOM 660 C GLN A 44 13.598 -11.777 3.699 1.00 0.85 C ATOM 661 O GLN A 44 13.017 -12.813 4.021 1.00 0.94 O ATOM 662 CB GLN A 44 14.823 -10.555 5.494 1.00 0.88 C ATOM 663 CG GLN A 44 16.135 -10.263 6.199 1.00 1.54 C ATOM 664 CD GLN A 44 15.960 -9.349 7.395 1.00 2.05 C ATOM 665 OE1 GLN A 44 15.747 -9.809 8.516 1.00 2.54 O ATOM 666 NE2 GLN A 44 16.045 -8.044 7.160 1.00 2.75 N ATOM 0 H GLN A 44 15.857 -9.825 3.320 1.00 0.77 H new ATOM 0 HA GLN A 44 15.434 -12.396 4.573 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.369 -9.613 5.186 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.138 -11.023 6.201 1.00 0.88 H new ATOM 0 HG2 GLN A 44 16.585 -11.201 6.525 1.00 1.54 H new ATOM 0 HG3 GLN A 44 16.829 -9.805 5.494 1.00 1.54 H new ATOM 0 HE21 GLN A 44 16.223 -7.707 6.214 1.00 2.75 H new ATOM 0 HE22 GLN A 44 15.932 -7.380 7.926 1.00 2.75 H new ATOM 675 N GLN A 45 13.073 -10.900 2.851 1.00 0.78 N ATOM 676 CA GLN A 45 11.759 -11.169 2.275 1.00 0.83 C ATOM 677 C GLN A 45 11.884 -12.336 1.304 1.00 0.79 C ATOM 678 O GLN A 45 10.883 -12.929 0.902 1.00 0.80 O ATOM 679 CB GLN A 45 11.125 -9.939 1.603 1.00 0.93 C ATOM 680 CG GLN A 45 12.141 -8.952 1.102 1.00 0.97 C ATOM 681 CD GLN A 45 11.661 -8.071 -0.033 1.00 1.36 C ATOM 682 OE1 GLN A 45 12.358 -7.890 -1.023 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.495 -7.479 0.113 1.00 1.43 N ATOM 0 H GLN A 45 13.515 -10.030 2.555 1.00 0.78 H new ATOM 0 HA GLN A 45 11.079 -11.429 3.086 1.00 0.83 H new ATOM 0 HB2 GLN A 45 10.504 -10.267 0.769 1.00 0.93 H new ATOM 0 HB3 GLN A 45 10.466 -9.443 2.315 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.450 -8.316 1.932 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.025 -9.497 0.772 1.00 0.97 H new ATOM 0 HE21 GLN A 45 9.937 -7.650 0.950 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.149 -6.849 -0.611 1.00 1.43 H new ATOM 692 N LEU A 46 13.136 -12.671 0.924 1.00 0.78 N ATOM 693 CA LEU A 46 13.395 -13.809 0.060 1.00 0.78 C ATOM 694 C LEU A 46 12.651 -15.000 0.626 1.00 0.74 C ATOM 695 O LEU A 46 11.616 -15.375 0.089 1.00 0.75 O ATOM 696 CB LEU A 46 14.897 -14.124 -0.056 1.00 0.83 C ATOM 697 CG LEU A 46 15.584 -13.764 -1.384 1.00 1.04 C ATOM 698 CD1 LEU A 46 16.924 -14.473 -1.486 1.00 1.25 C ATOM 699 CD2 LEU A 46 14.703 -14.126 -2.571 1.00 1.30 C ATOM 0 H LEU A 46 13.972 -12.161 1.209 1.00 0.78 H new ATOM 0 HA LEU A 46 13.050 -13.575 -0.947 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.416 -13.601 0.747 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.034 -15.191 0.118 1.00 0.83 H new ATOM 0 HG LEU A 46 15.749 -12.687 -1.403 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.403 -14.212 -2.430 1.00 1.25 H new ATOM 0 HD12 LEU A 46 17.562 -14.165 -0.658 1.00 1.25 H new ATOM 0 HD13 LEU A 46 16.769 -15.551 -1.444 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.213 -13.861 -3.497 1.00 1.30 H new ATOM 0 HD22 LEU A 46 14.502 -15.197 -2.562 1.00 1.30 H new ATOM 0 HD23 LEU A 46 13.762 -13.580 -2.506 1.00 1.30 H new ATOM 711 N PRO A 47 13.101 -15.599 1.749 1.00 0.78 N ATOM 712 CA PRO A 47 12.356 -16.721 2.268 1.00 0.80 C ATOM 713 C PRO A 47 11.142 -16.285 3.074 1.00 0.77 C ATOM 714 O PRO A 47 11.210 -16.069 4.284 1.00 0.81 O ATOM 715 CB PRO A 47 13.370 -17.376 3.208 1.00 0.90 C ATOM 716 CG PRO A 47 14.261 -16.268 3.661 1.00 0.95 C ATOM 717 CD PRO A 47 14.299 -15.266 2.543 1.00 0.90 C ATOM 0 HA PRO A 47 11.971 -17.363 1.476 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.873 -17.851 4.053 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.938 -18.152 2.695 1.00 0.90 H new ATOM 0 HG2 PRO A 47 13.881 -15.814 4.576 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.261 -16.640 3.882 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.262 -14.243 2.918 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.211 -15.356 1.953 1.00 0.90 H new ATOM 725 N HIS A 48 10.037 -16.151 2.361 1.00 0.73 N ATOM 726 CA HIS A 48 8.733 -15.872 2.945 1.00 0.74 C ATOM 727 C HIS A 48 7.923 -17.147 3.058 1.00 0.83 C ATOM 728 O HIS A 48 8.452 -18.251 2.924 1.00 0.91 O ATOM 729 CB HIS A 48 7.953 -14.814 2.153 1.00 0.73 C ATOM 730 CG HIS A 48 7.925 -13.520 2.875 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.047 -12.748 3.061 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.919 -12.892 3.516 1.00 1.34 C ATOM 733 CE1 HIS A 48 8.737 -11.698 3.793 1.00 2.04 C ATOM 734 NE2 HIS A 48 7.449 -11.763 4.083 1.00 1.61 N ATOM 0 H HIS A 48 10.018 -16.234 1.345 1.00 0.73 H new ATOM 0 HA HIS A 48 8.907 -15.465 3.941 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.411 -14.678 1.173 1.00 0.73 H new ATOM 0 HB3 HIS A 48 6.934 -15.161 1.983 1.00 0.73 H new ATOM 0 HD2 HIS A 48 5.891 -13.217 3.572 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.417 -10.919 4.103 1.00 2.04 H new ATOM 0 HE2 HIS A 48 6.933 -11.082 4.640 1.00 1.61 H new ATOM 743 N LEU A 49 6.632 -16.983 3.313 1.00 0.88 N ATOM 744 CA LEU A 49 5.722 -18.104 3.302 1.00 1.00 C ATOM 745 C LEU A 49 5.391 -18.341 1.829 1.00 0.98 C ATOM 746 O LEU A 49 5.830 -19.323 1.230 1.00 1.02 O ATOM 747 CB LEU A 49 4.463 -17.803 4.124 1.00 1.10 C ATOM 748 CG LEU A 49 3.492 -18.974 4.297 1.00 1.62 C ATOM 749 CD1 LEU A 49 2.371 -18.597 5.252 1.00 2.02 C ATOM 750 CD2 LEU A 49 2.922 -19.407 2.954 1.00 2.44 C ATOM 0 H LEU A 49 6.199 -16.085 3.529 1.00 0.88 H new ATOM 0 HA LEU A 49 6.164 -18.990 3.758 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.769 -17.459 5.112 1.00 1.10 H new ATOM 0 HB3 LEU A 49 3.930 -16.979 3.650 1.00 1.10 H new ATOM 0 HG LEU A 49 4.043 -19.814 4.720 1.00 1.62 H new ATOM 0 HD11 LEU A 49 1.689 -19.440 5.364 1.00 2.02 H new ATOM 0 HD12 LEU A 49 2.792 -18.339 6.224 1.00 2.02 H new ATOM 0 HD13 LEU A 49 1.826 -17.741 4.854 1.00 2.02 H new ATOM 0 HD21 LEU A 49 2.235 -20.240 3.102 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.388 -18.573 2.499 1.00 2.44 H new ATOM 0 HD23 LEU A 49 3.734 -19.719 2.297 1.00 2.44 H new ATOM 762 N LEU A 50 4.608 -17.420 1.252 1.00 0.98 N ATOM 763 CA LEU A 50 4.269 -17.459 -0.172 1.00 1.01 C ATOM 764 C LEU A 50 5.351 -16.734 -0.990 1.00 0.92 C ATOM 765 O LEU A 50 5.044 -15.960 -1.895 1.00 1.01 O ATOM 766 CB LEU A 50 2.905 -16.812 -0.414 1.00 1.11 C ATOM 767 CG LEU A 50 2.366 -16.955 -1.839 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.372 -18.414 -2.268 1.00 1.97 C ATOM 769 CD2 LEU A 50 0.963 -16.376 -1.935 1.00 2.25 C ATOM 0 H LEU A 50 4.196 -16.635 1.756 1.00 0.98 H new ATOM 0 HA LEU A 50 4.221 -18.500 -0.491 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.184 -17.250 0.277 1.00 1.11 H new ATOM 0 HB3 LEU A 50 2.975 -15.751 -0.173 1.00 1.11 H new ATOM 0 HG LEU A 50 3.017 -16.397 -2.512 1.00 1.60 H new ATOM 0 HD11 LEU A 50 1.985 -18.496 -3.284 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.391 -18.799 -2.235 1.00 1.97 H new ATOM 0 HD13 LEU A 50 1.744 -18.994 -1.593 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.593 -16.485 -2.955 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.302 -16.908 -1.251 1.00 2.25 H new ATOM 0 HD23 LEU A 50 0.986 -15.319 -1.669 1.00 2.25 H new ATOM 781 N LYS A 51 6.614 -16.997 -0.664 1.00 0.85 N ATOM 782 CA LYS A 51 7.753 -16.363 -1.317 1.00 0.81 C ATOM 783 C LYS A 51 7.561 -16.194 -2.820 1.00 0.88 C ATOM 784 O LYS A 51 6.959 -17.032 -3.491 1.00 1.03 O ATOM 785 CB LYS A 51 9.007 -17.189 -1.030 1.00 0.97 C ATOM 786 CG LYS A 51 10.239 -16.771 -1.815 1.00 1.23 C ATOM 787 CD LYS A 51 11.455 -17.576 -1.381 1.00 2.11 C ATOM 788 CE LYS A 51 12.756 -16.974 -1.889 1.00 2.68 C ATOM 789 NZ LYS A 51 13.944 -17.650 -1.300 1.00 3.58 N ATOM 0 H LYS A 51 6.876 -17.660 0.065 1.00 0.85 H new ATOM 0 HA LYS A 51 7.854 -15.357 -0.909 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.232 -17.124 0.034 1.00 0.97 H new ATOM 0 HB3 LYS A 51 8.793 -18.236 -1.247 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.063 -16.916 -2.881 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.428 -15.708 -1.665 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.483 -17.630 -0.293 1.00 2.11 H new ATOM 0 HD3 LYS A 51 11.362 -18.598 -1.749 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.794 -17.054 -2.975 1.00 2.68 H new ATOM 0 HE3 LYS A 51 12.784 -15.912 -1.646 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 14.812 -17.212 -1.670 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 13.921 -17.552 -0.265 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 13.930 -18.659 -1.553 1.00 3.58 H new ATOM 803 N ASP A 52 8.087 -15.083 -3.327 1.00 0.92 N ATOM 804 CA ASP A 52 8.013 -14.755 -4.750 1.00 1.17 C ATOM 805 C ASP A 52 9.345 -15.026 -5.456 1.00 1.23 C ATOM 806 O ASP A 52 9.442 -14.869 -6.672 1.00 1.47 O ATOM 807 CB ASP A 52 7.616 -13.291 -4.944 1.00 1.29 C ATOM 808 CG ASP A 52 7.569 -12.895 -6.407 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.516 -13.104 -7.046 1.00 2.35 O ATOM 810 OD2 ASP A 52 8.585 -12.374 -6.914 1.00 2.61 O ATOM 0 H ASP A 52 8.576 -14.385 -2.766 1.00 0.92 H new ATOM 0 HA ASP A 52 7.252 -15.396 -5.194 1.00 1.17 H new ATOM 0 HB2 ASP A 52 6.639 -13.119 -4.492 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.327 -12.652 -4.420 1.00 1.29 H new ATOM 815 N VAL A 53 10.375 -15.357 -4.671 1.00 1.13 N ATOM 816 CA VAL A 53 11.700 -15.689 -5.189 1.00 1.26 C ATOM 817 C VAL A 53 12.280 -14.562 -6.019 1.00 1.24 C ATOM 818 O VAL A 53 12.269 -14.588 -7.249 1.00 1.48 O ATOM 819 CB VAL A 53 11.737 -17.029 -5.978 1.00 1.57 C ATOM 820 CG1 VAL A 53 10.760 -17.050 -7.146 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.150 -17.317 -6.464 1.00 1.91 C ATOM 0 H VAL A 53 10.310 -15.402 -3.654 1.00 1.13 H new ATOM 0 HA VAL A 53 12.328 -15.827 -4.309 1.00 1.26 H new ATOM 0 HB VAL A 53 11.424 -17.813 -5.289 1.00 1.57 H new ATOM 0 HG11 VAL A 53 10.829 -18.008 -7.661 1.00 2.17 H new ATOM 0 HG12 VAL A 53 9.745 -16.910 -6.774 1.00 2.17 H new ATOM 0 HG13 VAL A 53 11.006 -16.247 -7.841 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.161 -18.258 -7.014 1.00 1.91 H new ATOM 0 HG22 VAL A 53 13.481 -16.510 -7.118 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.821 -17.390 -5.608 1.00 1.91 H new ATOM 831 N GLY A 54 12.790 -13.565 -5.313 1.00 1.06 N ATOM 832 CA GLY A 54 13.394 -12.422 -5.959 1.00 1.11 C ATOM 833 C GLY A 54 14.743 -12.774 -6.544 1.00 1.14 C ATOM 834 O GLY A 54 15.679 -13.093 -5.813 1.00 1.24 O ATOM 0 H GLY A 54 12.795 -13.529 -4.294 1.00 1.06 H new ATOM 0 HA2 GLY A 54 12.736 -12.057 -6.748 1.00 1.11 H new ATOM 0 HA3 GLY A 54 13.507 -11.612 -5.239 1.00 1.11 H new ATOM 838 N SER A 55 14.837 -12.739 -7.865 1.00 1.18 N ATOM 839 CA SER A 55 16.083 -13.065 -8.541 1.00 1.25 C ATOM 840 C SER A 55 17.173 -12.067 -8.171 1.00 1.11 C ATOM 841 O SER A 55 16.928 -10.862 -8.101 1.00 1.10 O ATOM 842 CB SER A 55 15.870 -13.086 -10.053 1.00 1.41 C ATOM 843 OG SER A 55 16.979 -13.667 -10.715 1.00 1.61 O ATOM 0 H SER A 55 14.069 -12.489 -8.488 1.00 1.18 H new ATOM 0 HA SER A 55 16.404 -14.055 -8.218 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.966 -13.648 -10.288 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.717 -12.070 -10.416 1.00 1.41 H new ATOM 0 HG SER A 55 16.818 -13.671 -11.682 1.00 1.61 H new ATOM 849 N LEU A 56 18.378 -12.577 -7.938 1.00 1.15 N ATOM 850 CA LEU A 56 19.517 -11.740 -7.561 1.00 1.10 C ATOM 851 C LEU A 56 19.583 -10.468 -8.401 1.00 0.98 C ATOM 852 O LEU A 56 19.611 -9.362 -7.865 1.00 0.97 O ATOM 853 CB LEU A 56 20.820 -12.530 -7.707 1.00 1.28 C ATOM 854 CG LEU A 56 22.043 -11.915 -7.022 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.223 -12.872 -7.084 1.00 2.61 C ATOM 856 CD2 LEU A 56 22.407 -10.583 -7.661 1.00 2.83 C ATOM 0 H LEU A 56 18.594 -13.572 -8.004 1.00 1.15 H new ATOM 0 HA LEU A 56 19.383 -11.447 -6.520 1.00 1.10 H new ATOM 0 HB2 LEU A 56 20.665 -13.531 -7.305 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.039 -12.644 -8.769 1.00 1.28 H new ATOM 0 HG LEU A 56 21.794 -11.736 -5.976 1.00 2.03 H new ATOM 0 HD11 LEU A 56 24.084 -12.420 -6.593 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.964 -13.802 -6.579 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.468 -13.081 -8.125 1.00 2.61 H new ATOM 0 HD21 LEU A 56 23.279 -10.164 -7.158 1.00 2.83 H new ATOM 0 HD22 LEU A 56 22.635 -10.736 -8.716 1.00 2.83 H new ATOM 0 HD23 LEU A 56 21.568 -9.893 -7.567 1.00 2.83 H new ATOM 868 N ASP A 57 19.607 -10.628 -9.717 1.00 1.00 N ATOM 869 CA ASP A 57 19.671 -9.480 -10.609 1.00 1.01 C ATOM 870 C ASP A 57 18.531 -8.521 -10.346 1.00 0.95 C ATOM 871 O ASP A 57 18.746 -7.327 -10.174 1.00 0.96 O ATOM 872 CB ASP A 57 19.603 -9.907 -12.064 1.00 1.15 C ATOM 873 CG ASP A 57 20.963 -10.225 -12.650 1.00 1.69 C ATOM 874 OD1 ASP A 57 21.387 -11.397 -12.563 1.00 2.20 O ATOM 875 OD2 ASP A 57 21.605 -9.303 -13.197 1.00 2.48 O ATOM 0 H ASP A 57 19.583 -11.533 -10.187 1.00 1.00 H new ATOM 0 HA ASP A 57 20.623 -8.987 -10.415 1.00 1.01 H new ATOM 0 HB2 ASP A 57 18.962 -10.784 -12.150 1.00 1.15 H new ATOM 0 HB3 ASP A 57 19.138 -9.113 -12.649 1.00 1.15 H new ATOM 880 N GLU A 58 17.315 -9.057 -10.325 1.00 0.94 N ATOM 881 CA GLU A 58 16.119 -8.255 -10.092 1.00 0.95 C ATOM 882 C GLU A 58 16.320 -7.373 -8.880 1.00 0.87 C ATOM 883 O GLU A 58 15.813 -6.254 -8.810 1.00 0.90 O ATOM 884 CB GLU A 58 14.902 -9.156 -9.888 1.00 0.98 C ATOM 885 CG GLU A 58 14.451 -9.848 -11.161 1.00 1.43 C ATOM 886 CD GLU A 58 13.155 -10.614 -10.980 1.00 1.80 C ATOM 887 OE1 GLU A 58 13.205 -11.755 -10.474 1.00 2.29 O ATOM 888 OE2 GLU A 58 12.089 -10.073 -11.344 1.00 2.42 O ATOM 0 H GLU A 58 17.131 -10.050 -10.468 1.00 0.94 H new ATOM 0 HA GLU A 58 15.943 -7.628 -10.966 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.138 -9.909 -9.136 1.00 0.98 H new ATOM 0 HB3 GLU A 58 14.078 -8.560 -9.495 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.323 -9.105 -11.948 1.00 1.43 H new ATOM 0 HG3 GLU A 58 15.231 -10.533 -11.493 1.00 1.43 H new ATOM 895 N LYS A 59 17.069 -7.898 -7.927 1.00 0.81 N ATOM 896 CA LYS A 59 17.365 -7.167 -6.720 1.00 0.76 C ATOM 897 C LYS A 59 18.376 -6.065 -6.995 1.00 0.80 C ATOM 898 O LYS A 59 18.391 -5.040 -6.317 1.00 0.79 O ATOM 899 CB LYS A 59 17.848 -8.121 -5.632 1.00 0.75 C ATOM 900 CG LYS A 59 16.740 -9.035 -5.118 1.00 0.75 C ATOM 901 CD LYS A 59 17.129 -10.502 -5.178 1.00 1.14 C ATOM 902 CE LYS A 59 17.946 -10.932 -3.966 1.00 1.95 C ATOM 903 NZ LYS A 59 19.393 -10.609 -4.113 1.00 2.67 N ATOM 0 H LYS A 59 17.481 -8.830 -7.971 1.00 0.81 H new ATOM 0 HA LYS A 59 16.453 -6.688 -6.362 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.663 -8.729 -6.023 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.252 -7.543 -4.801 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.499 -8.767 -4.089 1.00 0.75 H new ATOM 0 HG3 LYS A 59 15.838 -8.876 -5.709 1.00 0.75 H new ATOM 0 HD2 LYS A 59 16.228 -11.112 -5.242 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.704 -10.687 -6.085 1.00 1.14 H new ATOM 0 HE2 LYS A 59 17.555 -10.440 -3.075 1.00 1.95 H new ATOM 0 HE3 LYS A 59 17.830 -12.005 -3.815 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 19.954 -11.481 -4.030 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.559 -10.177 -5.044 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.677 -9.943 -3.367 1.00 2.67 H new ATOM 917 N MET A 60 19.222 -6.289 -7.989 1.00 0.86 N ATOM 918 CA MET A 60 20.221 -5.319 -8.380 1.00 0.92 C ATOM 919 C MET A 60 19.634 -4.252 -9.314 1.00 0.96 C ATOM 920 O MET A 60 20.089 -3.109 -9.323 1.00 1.01 O ATOM 921 CB MET A 60 21.396 -6.021 -9.062 1.00 1.00 C ATOM 922 CG MET A 60 22.069 -7.061 -8.183 1.00 1.00 C ATOM 923 SD MET A 60 23.653 -7.611 -8.843 1.00 1.73 S ATOM 924 CE MET A 60 24.589 -6.084 -8.793 1.00 2.31 C ATOM 0 H MET A 60 19.232 -7.146 -8.542 1.00 0.86 H new ATOM 0 HA MET A 60 20.572 -4.819 -7.477 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.043 -6.501 -9.975 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.133 -5.275 -9.359 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.220 -6.646 -7.187 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.408 -7.921 -8.073 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.651 -6.311 -8.698 1.00 2.31 H new ATOM 0 HE2 MET A 60 24.419 -5.523 -9.712 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.267 -5.488 -7.939 1.00 2.31 H new ATOM 934 N LYS A 61 18.629 -4.637 -10.107 1.00 0.97 N ATOM 935 CA LYS A 61 17.996 -3.708 -11.051 1.00 1.02 C ATOM 936 C LYS A 61 17.017 -2.821 -10.320 1.00 0.96 C ATOM 937 O LYS A 61 17.168 -1.599 -10.282 1.00 0.92 O ATOM 938 CB LYS A 61 17.239 -4.438 -12.170 1.00 1.08 C ATOM 939 CG LYS A 61 17.638 -5.885 -12.382 1.00 1.55 C ATOM 940 CD LYS A 61 19.129 -6.039 -12.648 1.00 2.07 C ATOM 941 CE LYS A 61 19.570 -5.211 -13.844 1.00 2.59 C ATOM 942 NZ LYS A 61 21.030 -5.347 -14.105 1.00 3.16 N ATOM 0 H LYS A 61 18.238 -5.579 -10.115 1.00 0.97 H new ATOM 0 HA LYS A 61 18.797 -3.121 -11.500 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.172 -4.401 -11.949 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.391 -3.896 -13.103 1.00 1.08 H new ATOM 0 HG2 LYS A 61 17.366 -6.467 -11.502 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.077 -6.295 -13.222 1.00 1.55 H new ATOM 0 HD2 LYS A 61 19.691 -5.733 -11.765 1.00 2.07 H new ATOM 0 HD3 LYS A 61 19.361 -7.089 -12.825 1.00 2.07 H new ATOM 0 HE2 LYS A 61 19.013 -5.523 -14.727 1.00 2.59 H new ATOM 0 HE3 LYS A 61 19.329 -4.163 -13.669 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 21.291 -4.767 -14.928 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 21.563 -5.025 -13.272 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 21.257 -6.344 -14.298 1.00 3.16 H new ATOM 956 N THR A 62 16.006 -3.451 -9.738 1.00 0.98 N ATOM 957 CA THR A 62 14.998 -2.726 -8.988 1.00 0.96 C ATOM 958 C THR A 62 15.674 -1.822 -7.967 1.00 0.86 C ATOM 959 O THR A 62 15.116 -0.820 -7.534 1.00 0.84 O ATOM 960 CB THR A 62 14.026 -3.682 -8.271 1.00 1.02 C ATOM 961 OG1 THR A 62 13.460 -4.606 -9.211 1.00 1.12 O ATOM 962 CG2 THR A 62 12.912 -2.907 -7.585 1.00 1.05 C ATOM 0 H THR A 62 15.865 -4.461 -9.772 1.00 0.98 H new ATOM 0 HA THR A 62 14.420 -2.127 -9.692 1.00 0.96 H new ATOM 0 HB THR A 62 14.587 -4.231 -7.515 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.066 -5.368 -9.326 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.238 -3.603 -7.086 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.341 -2.227 -6.849 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.356 -2.334 -8.328 1.00 1.05 H new ATOM 970 N LEU A 63 16.895 -2.200 -7.589 1.00 0.86 N ATOM 971 CA LEU A 63 17.695 -1.432 -6.652 1.00 0.84 C ATOM 972 C LEU A 63 17.649 0.057 -6.992 1.00 0.80 C ATOM 973 O LEU A 63 17.038 0.848 -6.277 1.00 0.89 O ATOM 974 CB LEU A 63 19.135 -1.948 -6.696 1.00 0.95 C ATOM 975 CG LEU A 63 20.100 -1.310 -5.705 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.137 -2.322 -5.247 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.780 -0.100 -6.332 1.00 1.40 C ATOM 0 H LEU A 63 17.352 -3.047 -7.927 1.00 0.86 H new ATOM 0 HA LEU A 63 17.292 -1.553 -5.647 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.121 -3.023 -6.519 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.525 -1.796 -7.703 1.00 0.95 H new ATOM 0 HG LEU A 63 19.534 -0.978 -4.835 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.819 -1.850 -4.539 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.637 -3.162 -4.764 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.700 -2.681 -6.108 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.467 0.345 -5.612 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.335 -0.412 -7.217 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.026 0.634 -6.617 1.00 1.40 H new ATOM 989 N ASP A 64 18.284 0.430 -8.095 1.00 0.79 N ATOM 990 CA ASP A 64 18.306 1.823 -8.525 1.00 0.82 C ATOM 991 C ASP A 64 16.892 2.339 -8.804 1.00 0.82 C ATOM 992 O ASP A 64 16.661 3.547 -8.843 1.00 0.89 O ATOM 993 CB ASP A 64 19.173 1.977 -9.777 1.00 0.91 C ATOM 994 CG ASP A 64 19.193 3.400 -10.299 1.00 1.35 C ATOM 995 OD1 ASP A 64 18.301 3.752 -11.100 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.100 4.163 -9.906 1.00 1.99 O ATOM 0 H ASP A 64 18.790 -0.210 -8.707 1.00 0.79 H new ATOM 0 HA ASP A 64 18.733 2.416 -7.716 1.00 0.82 H new ATOM 0 HB2 ASP A 64 20.192 1.662 -9.550 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.800 1.313 -10.557 1.00 0.91 H new ATOM 1001 N VAL A 65 15.950 1.416 -8.999 1.00 0.82 N ATOM 1002 CA VAL A 65 14.565 1.781 -9.281 1.00 0.87 C ATOM 1003 C VAL A 65 13.799 2.146 -8.007 1.00 0.77 C ATOM 1004 O VAL A 65 13.371 3.287 -7.837 1.00 0.82 O ATOM 1005 CB VAL A 65 13.826 0.640 -10.009 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.391 1.041 -10.314 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.562 0.262 -11.287 1.00 1.07 C ATOM 0 H VAL A 65 16.122 0.411 -8.967 1.00 0.82 H new ATOM 0 HA VAL A 65 14.601 2.658 -9.927 1.00 0.87 H new ATOM 0 HB VAL A 65 13.804 -0.231 -9.354 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.886 0.223 -10.828 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.869 1.262 -9.383 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.388 1.926 -10.950 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.028 -0.545 -11.789 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.615 1.128 -11.946 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.571 -0.069 -11.041 1.00 1.07 H new ATOM 1017 N ASN A 66 13.628 1.170 -7.117 1.00 0.72 N ATOM 1018 CA ASN A 66 12.901 1.376 -5.863 1.00 0.68 C ATOM 1019 C ASN A 66 13.756 2.039 -4.789 1.00 0.57 C ATOM 1020 O ASN A 66 13.670 1.663 -3.620 1.00 0.57 O ATOM 1021 CB ASN A 66 12.394 0.040 -5.316 1.00 0.82 C ATOM 1022 CG ASN A 66 11.361 -0.604 -6.219 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.370 -0.404 -7.434 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.464 -1.384 -5.630 1.00 1.10 N ATOM 0 H ASN A 66 13.985 0.223 -7.241 1.00 0.72 H new ATOM 0 HA ASN A 66 12.069 2.040 -6.098 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.236 -0.640 -5.190 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.961 0.197 -4.328 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.745 -1.846 -6.187 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.493 -1.522 -4.620 1.00 1.10 H new ATOM 1031 N GLN A 67 14.567 3.023 -5.151 1.00 0.62 N ATOM 1032 CA GLN A 67 15.383 3.679 -4.144 1.00 0.68 C ATOM 1033 C GLN A 67 14.510 4.524 -3.265 1.00 0.61 C ATOM 1034 O GLN A 67 14.535 4.417 -2.047 1.00 0.66 O ATOM 1035 CB GLN A 67 16.510 4.557 -4.715 1.00 0.88 C ATOM 1036 CG GLN A 67 16.309 5.099 -6.106 1.00 0.74 C ATOM 1037 CD GLN A 67 15.306 6.222 -6.198 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.563 7.343 -5.755 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.166 5.933 -6.810 1.00 1.36 N ATOM 0 H GLN A 67 14.676 3.375 -6.102 1.00 0.62 H new ATOM 0 HA GLN A 67 15.865 2.878 -3.583 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.659 5.400 -4.040 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.432 3.975 -4.707 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.267 5.452 -6.487 1.00 0.74 H new ATOM 0 HG3 GLN A 67 15.987 4.286 -6.757 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.000 4.989 -7.160 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.455 6.654 -6.931 1.00 1.36 H new ATOM 1048 N ASP A 68 13.681 5.304 -3.907 1.00 0.59 N ATOM 1049 CA ASP A 68 12.807 6.219 -3.229 1.00 0.62 C ATOM 1050 C ASP A 68 11.546 5.531 -2.732 1.00 0.59 C ATOM 1051 O ASP A 68 10.595 6.209 -2.353 1.00 0.66 O ATOM 1052 CB ASP A 68 12.474 7.381 -4.155 1.00 0.74 C ATOM 1053 CG ASP A 68 13.606 8.385 -4.252 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.387 8.496 -3.286 1.00 1.51 O ATOM 1055 OD2 ASP A 68 13.717 9.053 -5.301 1.00 1.62 O ATOM 0 H ASP A 68 13.594 5.321 -4.923 1.00 0.59 H new ATOM 0 HA ASP A 68 13.321 6.602 -2.347 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.247 6.996 -5.149 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.576 7.883 -3.795 1.00 0.74 H new ATOM 1060 N SER A 69 11.554 4.180 -2.684 1.00 0.56 N ATOM 1061 CA SER A 69 10.408 3.399 -2.197 1.00 0.59 C ATOM 1062 C SER A 69 9.830 4.103 -0.985 1.00 0.63 C ATOM 1063 O SER A 69 8.627 4.100 -0.740 1.00 0.75 O ATOM 1064 CB SER A 69 10.860 1.977 -1.846 1.00 0.68 C ATOM 1065 OG SER A 69 10.058 1.424 -0.820 1.00 1.75 O ATOM 0 H SER A 69 12.348 3.611 -2.979 1.00 0.56 H new ATOM 0 HA SER A 69 9.641 3.324 -2.968 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.806 1.346 -2.733 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.903 1.992 -1.528 1.00 0.68 H new ATOM 0 HG SER A 69 10.152 0.449 -0.821 1.00 1.75 H new ATOM 1071 N GLU A 70 10.749 4.711 -0.253 1.00 0.64 N ATOM 1072 CA GLU A 70 10.434 5.549 0.886 1.00 0.76 C ATOM 1073 C GLU A 70 10.811 6.947 0.492 1.00 0.78 C ATOM 1074 O GLU A 70 11.707 7.144 -0.330 1.00 0.81 O ATOM 1075 CB GLU A 70 11.222 5.165 2.131 1.00 0.85 C ATOM 1076 CG GLU A 70 11.630 6.361 3.026 1.00 1.33 C ATOM 1077 CD GLU A 70 10.453 7.072 3.666 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.301 6.758 3.299 1.00 2.88 O ATOM 1079 OE2 GLU A 70 10.682 7.940 4.534 1.00 2.72 O ATOM 0 H GLU A 70 11.749 4.633 -0.438 1.00 0.64 H new ATOM 0 HA GLU A 70 9.378 5.441 1.133 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.626 4.471 2.723 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.122 4.632 1.826 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.299 6.005 3.810 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.193 7.076 2.427 1.00 1.33 H new ATOM 1086 N LEU A 71 10.148 7.911 1.062 1.00 0.79 N ATOM 1087 CA LEU A 71 10.464 9.247 0.734 1.00 0.83 C ATOM 1088 C LEU A 71 10.298 10.253 1.895 1.00 0.81 C ATOM 1089 O LEU A 71 9.496 10.058 2.799 1.00 0.86 O ATOM 1090 CB LEU A 71 9.584 9.522 -0.450 1.00 0.99 C ATOM 1091 CG LEU A 71 9.326 10.932 -0.767 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.460 11.647 0.260 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.638 11.577 -1.007 1.00 1.26 C ATOM 0 H LEU A 71 9.399 7.789 1.744 1.00 0.79 H new ATOM 0 HA LEU A 71 11.523 9.376 0.509 1.00 0.83 H new ATOM 0 HB2 LEU A 71 10.035 9.054 -1.325 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.626 9.030 -0.283 1.00 0.99 H new ATOM 0 HG LEU A 71 8.717 11.000 -1.668 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.315 12.683 -0.045 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.492 11.150 0.329 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.952 11.620 1.232 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.488 12.630 -1.246 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.254 11.493 -0.112 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.139 11.084 -1.840 1.00 1.26 H new ATOM 1105 N ARG A 72 11.121 11.302 1.888 1.00 0.77 N ATOM 1106 CA ARG A 72 11.021 12.392 2.845 1.00 0.79 C ATOM 1107 C ARG A 72 10.503 13.643 2.106 1.00 0.68 C ATOM 1108 O ARG A 72 9.789 14.463 2.684 1.00 0.75 O ATOM 1109 CB ARG A 72 12.370 12.672 3.493 1.00 0.91 C ATOM 1110 CG ARG A 72 13.235 11.435 3.665 1.00 1.00 C ATOM 1111 CD ARG A 72 12.505 10.320 4.394 1.00 1.06 C ATOM 1112 NE ARG A 72 11.770 10.803 5.563 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.456 10.044 6.611 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.802 8.764 6.640 1.00 1.56 N ATOM 1115 NH2 ARG A 72 10.790 10.566 7.631 1.00 1.42 N ATOM 0 H ARG A 72 11.877 11.415 1.213 1.00 0.77 H new ATOM 0 HA ARG A 72 10.329 12.118 3.641 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.910 13.400 2.887 1.00 0.91 H new ATOM 0 HB3 ARG A 72 12.206 13.128 4.469 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.554 11.078 2.686 1.00 1.00 H new ATOM 0 HG3 ARG A 72 14.137 11.698 4.218 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.811 9.835 3.708 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.224 9.564 4.708 1.00 1.06 H new ATOM 0 HE ARG A 72 11.480 11.781 5.576 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.312 8.356 5.857 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.558 8.188 7.446 1.00 1.56 H new ATOM 0 HH21 ARG A 72 10.518 11.549 7.613 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.549 9.985 8.434 1.00 1.42 H new ATOM 1129 N PHE A 73 10.874 13.775 0.810 1.00 0.60 N ATOM 1130 CA PHE A 73 10.384 14.880 -0.029 1.00 0.57 C ATOM 1131 C PHE A 73 9.138 14.484 -0.875 1.00 0.51 C ATOM 1132 O PHE A 73 8.088 14.229 -0.312 1.00 0.63 O ATOM 1133 CB PHE A 73 11.461 15.517 -0.949 1.00 0.64 C ATOM 1134 CG PHE A 73 12.656 14.680 -1.370 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.514 13.487 -2.053 1.00 1.24 C ATOM 1136 CD2 PHE A 73 13.939 15.117 -1.098 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.602 12.754 -2.450 1.00 1.31 C ATOM 1138 CE2 PHE A 73 15.038 14.384 -1.496 1.00 1.44 C ATOM 1139 CZ PHE A 73 14.871 13.201 -2.173 1.00 0.86 C ATOM 0 H PHE A 73 11.506 13.133 0.332 1.00 0.60 H new ATOM 0 HA PHE A 73 10.094 15.642 0.695 1.00 0.57 H new ATOM 0 HB2 PHE A 73 10.961 15.856 -1.856 1.00 0.64 H new ATOM 0 HB3 PHE A 73 11.842 16.405 -0.444 1.00 0.64 H new ATOM 0 HD1 PHE A 73 11.522 13.124 -2.279 1.00 1.24 H new ATOM 0 HD2 PHE A 73 14.083 16.046 -0.566 1.00 1.36 H new ATOM 0 HE1 PHE A 73 13.461 11.824 -2.981 1.00 1.31 H new ATOM 0 HE2 PHE A 73 16.033 14.742 -1.274 1.00 1.44 H new ATOM 0 HZ PHE A 73 15.731 12.627 -2.485 1.00 0.86 H new ATOM 1149 N SER A 74 9.247 14.358 -2.213 1.00 0.48 N ATOM 1150 CA SER A 74 8.048 14.082 -3.040 1.00 0.46 C ATOM 1151 C SER A 74 8.040 12.731 -3.721 1.00 0.42 C ATOM 1152 O SER A 74 7.080 12.384 -4.407 1.00 0.47 O ATOM 1153 CB SER A 74 7.866 15.157 -4.109 1.00 0.60 C ATOM 1154 OG SER A 74 9.117 15.651 -4.556 1.00 1.01 O ATOM 0 H SER A 74 10.121 14.439 -2.733 1.00 0.48 H new ATOM 0 HA SER A 74 7.224 14.085 -2.327 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.312 14.745 -4.953 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.271 15.977 -3.707 1.00 0.60 H new ATOM 0 HG SER A 74 8.972 16.337 -5.241 1.00 1.01 H new ATOM 1160 N GLU A 75 9.082 11.976 -3.537 1.00 0.43 N ATOM 1161 CA GLU A 75 9.165 10.639 -4.131 1.00 0.42 C ATOM 1162 C GLU A 75 8.254 9.592 -3.438 1.00 0.42 C ATOM 1163 O GLU A 75 8.440 8.391 -3.635 1.00 0.55 O ATOM 1164 CB GLU A 75 10.601 10.132 -4.061 1.00 0.44 C ATOM 1165 CG GLU A 75 11.652 11.148 -4.451 1.00 0.60 C ATOM 1166 CD GLU A 75 11.491 11.646 -5.873 1.00 0.93 C ATOM 1167 OE1 GLU A 75 10.746 12.628 -6.077 1.00 1.60 O ATOM 1168 OE2 GLU A 75 12.108 11.055 -6.783 1.00 1.42 O ATOM 0 H GLU A 75 9.895 12.246 -2.984 1.00 0.43 H new ATOM 0 HA GLU A 75 8.823 10.748 -5.160 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.803 9.793 -3.045 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.697 9.263 -4.712 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.603 11.995 -3.767 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.640 10.703 -4.337 1.00 0.60 H new ATOM 1175 N TYR A 76 7.279 10.039 -2.637 1.00 0.38 N ATOM 1176 CA TYR A 76 6.405 9.133 -1.901 1.00 0.38 C ATOM 1177 C TYR A 76 5.614 8.265 -2.840 1.00 0.39 C ATOM 1178 O TYR A 76 5.203 7.163 -2.491 1.00 0.43 O ATOM 1179 CB TYR A 76 5.481 9.915 -0.961 1.00 0.40 C ATOM 1180 CG TYR A 76 5.936 9.962 0.473 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.741 8.971 1.005 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.591 11.029 1.285 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.190 9.026 2.281 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.037 11.095 2.588 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.842 10.091 3.085 1.00 0.49 C ATOM 1186 OH TYR A 76 7.295 10.151 4.383 1.00 0.55 O ATOM 0 H TYR A 76 7.079 11.028 -2.485 1.00 0.38 H new ATOM 0 HA TYR A 76 7.030 8.479 -1.292 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.387 10.936 -1.332 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.487 9.470 -0.998 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.019 8.131 0.386 1.00 1.29 H new ATOM 0 HD2 TYR A 76 4.966 11.818 0.894 1.00 1.22 H new ATOM 0 HE1 TYR A 76 7.819 8.238 2.668 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.758 11.928 3.216 1.00 1.25 H new ATOM 0 HH TYR A 76 8.275 10.159 4.387 1.00 0.55 H new ATOM 1196 N TRP A 77 5.449 8.738 -4.055 1.00 0.39 N ATOM 1197 CA TRP A 77 4.754 7.955 -5.061 1.00 0.43 C ATOM 1198 C TRP A 77 5.488 6.629 -5.259 1.00 0.45 C ATOM 1199 O TRP A 77 4.971 5.719 -5.900 1.00 0.49 O ATOM 1200 CB TRP A 77 4.715 8.700 -6.392 1.00 0.44 C ATOM 1201 CG TRP A 77 6.084 8.936 -6.935 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.962 7.986 -7.361 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.743 10.193 -7.088 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.129 8.571 -7.764 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.021 9.930 -7.613 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.377 11.513 -6.834 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.935 10.945 -7.885 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.279 12.519 -7.103 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.547 12.232 -7.624 1.00 0.55 C ATOM 0 H TRP A 77 5.781 9.649 -4.371 1.00 0.39 H new ATOM 0 HA TRP A 77 3.733 7.780 -4.723 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.132 8.126 -7.113 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.207 9.655 -6.259 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.764 6.924 -7.378 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.948 8.077 -8.119 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.401 11.744 -6.432 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.913 10.725 -8.287 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.004 13.545 -6.909 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.233 13.042 -7.824 1.00 0.55 H new ATOM 1220 N ARG A 78 6.711 6.529 -4.719 1.00 0.43 N ATOM 1221 CA ARG A 78 7.497 5.328 -4.855 1.00 0.47 C ATOM 1222 C ARG A 78 6.967 4.281 -3.899 1.00 0.49 C ATOM 1223 O ARG A 78 6.992 3.092 -4.203 1.00 0.61 O ATOM 1224 CB ARG A 78 8.970 5.649 -4.614 1.00 0.50 C ATOM 1225 CG ARG A 78 9.598 6.377 -5.784 1.00 0.60 C ATOM 1226 CD ARG A 78 9.909 5.430 -6.931 1.00 0.77 C ATOM 1227 NE ARG A 78 10.469 6.130 -8.083 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.544 5.601 -9.301 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.093 4.374 -9.521 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.070 6.299 -10.298 1.00 2.82 N ATOM 0 H ARG A 78 7.163 7.273 -4.187 1.00 0.43 H new ATOM 0 HA ARG A 78 7.418 4.926 -5.865 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.064 6.260 -3.716 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.516 4.724 -4.429 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.923 7.160 -6.131 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.515 6.868 -5.458 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.612 4.669 -6.592 1.00 0.77 H new ATOM 0 HD3 ARG A 78 8.998 4.911 -7.230 1.00 0.77 H new ATOM 0 HE ARG A 78 10.822 7.077 -7.946 1.00 1.48 H new ATOM 0 HH11 ARG A 78 9.688 3.835 -8.756 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.151 3.969 -10.455 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.418 7.243 -10.132 1.00 2.82 H new ATOM 0 HH22 ARG A 78 11.127 5.892 -11.231 1.00 2.82 H new ATOM 1244 N LEU A 79 6.471 4.731 -2.745 1.00 0.43 N ATOM 1245 CA LEU A 79 5.874 3.811 -1.793 1.00 0.46 C ATOM 1246 C LEU A 79 4.615 3.213 -2.416 1.00 0.47 C ATOM 1247 O LEU A 79 4.122 2.174 -1.981 1.00 0.53 O ATOM 1248 CB LEU A 79 5.462 4.472 -0.460 1.00 0.55 C ATOM 1249 CG LEU A 79 6.092 5.820 -0.074 1.00 0.63 C ATOM 1250 CD1 LEU A 79 4.989 6.813 0.273 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.006 5.646 1.125 1.00 0.89 C ATOM 0 H LEU A 79 6.473 5.709 -2.456 1.00 0.43 H new ATOM 0 HA LEU A 79 6.634 3.063 -1.569 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.381 4.607 -0.479 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.681 3.765 0.340 1.00 0.55 H new ATOM 0 HG LEU A 79 6.675 6.193 -0.916 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.434 7.770 0.547 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.338 6.950 -0.590 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.406 6.431 1.111 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.447 6.607 1.389 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.430 5.266 1.969 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.798 4.939 0.879 1.00 0.89 H new ATOM 1263 N ILE A 80 4.092 3.888 -3.441 1.00 0.46 N ATOM 1264 CA ILE A 80 2.877 3.456 -4.093 1.00 0.49 C ATOM 1265 C ILE A 80 2.894 1.958 -4.411 1.00 0.49 C ATOM 1266 O ILE A 80 2.006 1.221 -3.982 1.00 0.51 O ATOM 1267 CB ILE A 80 2.572 4.326 -5.349 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.062 4.441 -5.570 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.240 3.785 -6.598 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.689 5.242 -6.800 1.00 1.16 C ATOM 0 H ILE A 80 4.500 4.738 -3.831 1.00 0.46 H new ATOM 0 HA ILE A 80 2.057 3.607 -3.390 1.00 0.49 H new ATOM 0 HB ILE A 80 2.985 5.316 -5.158 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.638 3.440 -5.656 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.609 4.905 -4.694 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.998 4.425 -7.446 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.320 3.767 -6.454 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.883 2.774 -6.793 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.396 5.281 -6.893 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.082 6.254 -6.708 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.112 4.767 -7.685 1.00 1.16 H new ATOM 1282 N GLY A 81 3.894 1.508 -5.160 1.00 0.48 N ATOM 1283 CA GLY A 81 3.994 0.097 -5.481 1.00 0.49 C ATOM 1284 C GLY A 81 4.642 -0.697 -4.374 1.00 0.43 C ATOM 1285 O GLY A 81 4.847 -1.903 -4.507 1.00 0.43 O ATOM 0 H GLY A 81 4.634 2.092 -5.549 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.998 -0.301 -5.675 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.570 -0.025 -6.398 1.00 0.49 H new ATOM 1289 N GLU A 82 4.965 -0.028 -3.274 1.00 0.41 N ATOM 1290 CA GLU A 82 5.607 -0.697 -2.157 1.00 0.39 C ATOM 1291 C GLU A 82 4.584 -1.402 -1.285 1.00 0.33 C ATOM 1292 O GLU A 82 4.546 -2.627 -1.215 1.00 0.34 O ATOM 1293 CB GLU A 82 6.394 0.300 -1.330 1.00 0.43 C ATOM 1294 CG GLU A 82 7.562 0.914 -2.087 1.00 0.46 C ATOM 1295 CD GLU A 82 8.613 -0.109 -2.470 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.217 -0.711 -1.559 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.828 -0.312 -3.683 1.00 1.39 O ATOM 0 H GLU A 82 4.794 0.968 -3.135 1.00 0.41 H new ATOM 0 HA GLU A 82 6.290 -1.446 -2.558 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.726 1.095 -0.998 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.769 -0.196 -0.435 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.190 1.401 -2.988 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.021 1.688 -1.472 1.00 0.46 H new ATOM 1304 N LEU A 83 3.739 -0.618 -0.622 1.00 0.34 N ATOM 1305 CA LEU A 83 2.703 -1.172 0.244 1.00 0.35 C ATOM 1306 C LEU A 83 2.000 -2.334 -0.436 1.00 0.35 C ATOM 1307 O LEU A 83 1.488 -3.241 0.221 1.00 0.43 O ATOM 1308 CB LEU A 83 1.686 -0.097 0.611 1.00 0.43 C ATOM 1309 CG LEU A 83 2.091 0.808 1.770 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.318 2.119 1.716 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.855 0.101 3.096 1.00 1.31 C ATOM 0 H LEU A 83 3.751 0.401 -0.668 1.00 0.34 H new ATOM 0 HA LEU A 83 3.181 -1.535 1.154 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.503 0.523 -0.267 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.742 -0.582 0.861 1.00 0.43 H new ATOM 0 HG LEU A 83 3.154 1.034 1.683 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.619 2.753 2.550 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.532 2.629 0.777 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.249 1.914 1.783 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.148 0.757 3.915 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.799 -0.150 3.192 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.449 -0.812 3.132 1.00 1.31 H new ATOM 1323 N ALA A 84 1.980 -2.295 -1.760 1.00 0.34 N ATOM 1324 CA ALA A 84 1.350 -3.343 -2.535 1.00 0.37 C ATOM 1325 C ALA A 84 2.219 -4.589 -2.616 1.00 0.41 C ATOM 1326 O ALA A 84 1.704 -5.700 -2.651 1.00 0.48 O ATOM 1327 CB ALA A 84 1.029 -2.842 -3.925 1.00 0.42 C ATOM 0 H ALA A 84 2.394 -1.547 -2.316 1.00 0.34 H new ATOM 0 HA ALA A 84 0.426 -3.618 -2.026 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.556 -3.639 -4.499 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.351 -1.991 -3.858 1.00 0.42 H new ATOM 0 HB3 ALA A 84 1.949 -2.534 -4.422 1.00 0.42 H new ATOM 1333 N LYS A 85 3.540 -4.413 -2.656 1.00 0.42 N ATOM 1334 CA LYS A 85 4.462 -5.553 -2.708 1.00 0.51 C ATOM 1335 C LYS A 85 4.043 -6.608 -1.694 1.00 0.50 C ATOM 1336 O LYS A 85 4.270 -7.801 -1.876 1.00 0.67 O ATOM 1337 CB LYS A 85 5.896 -5.087 -2.431 1.00 0.62 C ATOM 1338 CG LYS A 85 6.170 -4.787 -0.966 1.00 1.18 C ATOM 1339 CD LYS A 85 7.130 -3.621 -0.800 1.00 1.42 C ATOM 1340 CE LYS A 85 8.457 -3.881 -1.493 1.00 1.55 C ATOM 1341 NZ LYS A 85 9.578 -3.148 -0.844 1.00 2.69 N ATOM 0 H LYS A 85 3.995 -3.500 -2.654 1.00 0.42 H new ATOM 0 HA LYS A 85 4.426 -5.991 -3.705 1.00 0.51 H new ATOM 0 HB2 LYS A 85 6.590 -5.855 -2.771 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.098 -4.192 -3.020 1.00 0.62 H new ATOM 0 HG2 LYS A 85 5.232 -4.561 -0.459 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.586 -5.672 -0.485 1.00 1.18 H new ATOM 0 HD2 LYS A 85 6.678 -2.717 -1.208 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.303 -3.441 0.261 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.668 -4.950 -1.482 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.385 -3.581 -2.538 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 10.463 -3.677 -0.979 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 9.670 -2.205 -1.272 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.385 -3.049 0.173 1.00 2.69 H new ATOM 1355 N GLU A 86 3.426 -6.139 -0.626 1.00 0.45 N ATOM 1356 CA GLU A 86 2.946 -7.004 0.428 1.00 0.45 C ATOM 1357 C GLU A 86 1.610 -7.603 0.034 1.00 0.44 C ATOM 1358 O GLU A 86 1.341 -8.781 0.268 1.00 0.46 O ATOM 1359 CB GLU A 86 2.802 -6.204 1.716 1.00 0.48 C ATOM 1360 CG GLU A 86 3.943 -5.245 1.943 1.00 0.98 C ATOM 1361 CD GLU A 86 5.249 -5.957 2.208 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.213 -7.033 2.830 1.00 2.61 O ATOM 1363 OE2 GLU A 86 6.305 -5.440 1.790 1.00 2.91 O ATOM 0 H GLU A 86 3.245 -5.148 -0.467 1.00 0.45 H new ATOM 0 HA GLU A 86 3.660 -7.812 0.587 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.866 -5.647 1.688 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.739 -6.892 2.559 1.00 0.48 H new ATOM 0 HG2 GLU A 86 4.053 -4.602 1.070 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.707 -4.597 2.788 1.00 0.98 H new ATOM 1370 N VAL A 87 0.778 -6.767 -0.570 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.537 -7.186 -1.005 1.00 0.46 C ATOM 1372 C VAL A 87 -0.483 -7.945 -2.334 1.00 0.47 C ATOM 1373 O VAL A 87 -1.480 -8.524 -2.764 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.491 -5.968 -1.136 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.775 -6.338 -1.874 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.795 -5.390 0.238 1.00 0.81 C ATOM 0 H VAL A 87 0.996 -5.791 -0.769 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.923 -7.863 -0.243 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.988 -5.205 -1.730 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.418 -5.461 -1.947 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.530 -6.692 -2.875 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.295 -7.125 -1.328 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.465 -4.536 0.134 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.271 -6.151 0.856 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.867 -5.067 0.710 1.00 0.81 H new ATOM 1386 N ARG A 88 0.674 -7.949 -2.976 1.00 0.50 N ATOM 1387 CA ARG A 88 0.819 -8.615 -4.259 1.00 0.52 C ATOM 1388 C ARG A 88 0.732 -10.129 -4.121 1.00 0.50 C ATOM 1389 O ARG A 88 -0.066 -10.769 -4.803 1.00 0.59 O ATOM 1390 CB ARG A 88 2.137 -8.197 -4.912 1.00 0.56 C ATOM 1391 CG ARG A 88 2.193 -8.452 -6.411 1.00 0.67 C ATOM 1392 CD ARG A 88 2.229 -9.938 -6.730 1.00 1.33 C ATOM 1393 NE ARG A 88 2.504 -10.189 -8.142 1.00 1.83 N ATOM 1394 CZ ARG A 88 2.430 -11.391 -8.704 1.00 2.72 C ATOM 1395 NH1 ARG A 88 2.087 -12.445 -7.976 1.00 3.25 N ATOM 1396 NH2 ARG A 88 2.699 -11.541 -9.994 1.00 3.50 N ATOM 0 H ARG A 88 1.523 -7.500 -2.631 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.007 -8.307 -4.900 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.301 -7.135 -4.728 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.955 -8.734 -4.432 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.325 -7.998 -6.890 1.00 0.67 H new ATOM 0 HG3 ARG A 88 3.076 -7.969 -6.829 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.993 -10.421 -6.121 1.00 1.33 H new ATOM 0 HD3 ARG A 88 1.274 -10.390 -6.461 1.00 1.33 H new ATOM 0 HE ARG A 88 2.767 -9.398 -8.730 1.00 1.83 H new ATOM 0 HH11 ARG A 88 1.880 -12.334 -6.984 1.00 3.25 H new ATOM 0 HH12 ARG A 88 2.031 -13.367 -8.409 1.00 3.25 H new ATOM 0 HH21 ARG A 88 2.963 -10.733 -10.557 1.00 3.50 H new ATOM 0 HH22 ARG A 88 2.641 -12.465 -10.423 1.00 3.50 H new ATOM 1410 N LYS A 89 1.543 -10.705 -3.245 1.00 0.47 N ATOM 1411 CA LYS A 89 1.513 -12.149 -3.053 1.00 0.49 C ATOM 1412 C LYS A 89 0.381 -12.514 -2.118 1.00 0.49 C ATOM 1413 O LYS A 89 -0.203 -13.593 -2.213 1.00 0.55 O ATOM 1414 CB LYS A 89 2.846 -12.718 -2.551 1.00 0.56 C ATOM 1415 CG LYS A 89 3.419 -12.112 -1.264 1.00 0.70 C ATOM 1416 CD LYS A 89 4.080 -10.735 -1.440 1.00 1.55 C ATOM 1417 CE LYS A 89 4.601 -10.463 -2.854 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.536 -11.517 -3.338 1.00 3.29 N ATOM 0 H LYS A 89 2.218 -10.206 -2.665 1.00 0.47 H new ATOM 0 HA LYS A 89 1.343 -12.604 -4.029 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.720 -13.789 -2.395 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.586 -12.596 -3.342 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.616 -12.023 -0.532 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.154 -12.802 -0.850 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.358 -9.962 -1.176 1.00 1.55 H new ATOM 0 HD3 LYS A 89 4.909 -10.650 -0.737 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.757 -10.390 -3.540 1.00 2.44 H new ATOM 0 HE3 LYS A 89 5.109 -9.498 -2.870 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 6.460 -11.090 -3.550 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.651 -12.243 -2.603 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.150 -11.954 -4.199 1.00 3.29 H new ATOM 1432 N GLU A 90 0.072 -11.595 -1.218 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.008 -11.790 -0.277 1.00 0.52 C ATOM 1434 C GLU A 90 -2.329 -11.980 -1.018 1.00 0.55 C ATOM 1435 O GLU A 90 -3.303 -12.474 -0.450 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.073 -10.605 0.682 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.027 -10.684 1.774 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.259 -11.843 2.724 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.243 -12.952 2.441 1.00 1.97 O ATOM 1440 OE2 GLU A 90 -0.942 -11.642 3.750 1.00 1.95 O ATOM 0 H GLU A 90 0.559 -10.704 -1.123 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.823 -12.693 0.305 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.939 -9.680 0.121 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.064 -10.562 1.135 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.959 -10.783 1.320 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.026 -9.752 2.338 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.357 -11.586 -2.294 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.550 -11.741 -3.110 1.00 0.61 C ATOM 1449 C LYS A 91 -3.973 -13.203 -3.139 1.00 0.63 C ATOM 1450 O LYS A 91 -5.136 -13.538 -2.912 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.305 -11.224 -4.531 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.479 -12.154 -5.406 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.199 -11.530 -6.764 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.322 -12.428 -7.621 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.055 -11.830 -8.958 1.00 1.38 N ATOM 0 H LYS A 91 -1.567 -11.159 -2.777 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.353 -11.151 -2.669 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.268 -11.052 -5.013 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.801 -10.259 -4.471 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.537 -12.384 -4.908 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.008 -13.097 -5.539 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.141 -11.341 -7.279 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.710 -10.565 -6.628 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.377 -12.609 -7.109 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.807 -13.396 -7.746 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -0.454 -12.473 -9.512 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.955 -11.681 -9.458 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.570 -10.918 -8.840 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.007 -14.064 -3.421 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.246 -15.504 -3.482 1.00 0.66 C ATOM 1471 C ALA A 92 -3.238 -16.146 -2.100 1.00 0.64 C ATOM 1472 O ALA A 92 -3.748 -17.250 -1.927 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.220 -16.172 -4.385 1.00 0.75 C ATOM 0 H ALA A 92 -2.043 -13.791 -3.613 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.241 -15.652 -3.901 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.410 -17.245 -4.421 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.294 -15.756 -5.390 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.219 -15.994 -3.992 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.622 -15.490 -1.125 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.591 -16.033 0.230 1.00 0.66 C ATOM 1481 C LEU A 93 -3.866 -15.705 0.996 1.00 0.59 C ATOM 1482 O LEU A 93 -4.310 -16.490 1.835 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.379 -15.540 1.013 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.175 -16.282 2.331 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.306 -16.510 2.599 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.810 -15.508 3.476 1.00 0.95 C ATOM 0 H LEU A 93 -2.144 -14.596 -1.241 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.516 -17.115 0.125 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.486 -15.652 0.398 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.494 -14.475 1.216 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.660 -17.255 2.256 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.427 -17.040 3.543 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.735 -17.104 1.792 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.818 -15.549 2.654 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.657 -16.049 4.410 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -1.350 -14.522 3.548 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.879 -15.397 3.292 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.454 -14.543 0.711 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.678 -14.135 1.390 1.00 0.52 C ATOM 1500 C GLY A 94 -6.657 -15.261 1.560 1.00 0.52 C ATOM 1501 O GLY A 94 -7.374 -15.321 2.557 1.00 0.57 O ATOM 0 H GLY A 94 -4.105 -13.876 0.022 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.426 -13.729 2.370 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.151 -13.332 0.824 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.709 -16.131 0.560 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.626 -17.251 0.582 1.00 0.57 C ATOM 1507 C ILE A 95 -7.297 -18.226 1.691 1.00 0.61 C ATOM 1508 O ILE A 95 -6.899 -19.364 1.445 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.667 -17.984 -0.767 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.264 -18.335 -1.236 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.357 -17.116 -1.794 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.228 -19.462 -2.243 1.00 1.68 C ATOM 0 H ILE A 95 -6.125 -16.078 -0.274 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.614 -16.834 0.774 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.225 -18.912 -0.643 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.805 -17.450 -1.677 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.659 -18.611 -0.372 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.385 -17.637 -2.751 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.375 -16.903 -1.466 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.809 -16.180 -1.907 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.196 -19.658 -2.533 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.657 -20.360 -1.799 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.805 -19.181 -3.124 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.455 -17.762 2.921 1.00 0.64 N ATOM 1525 CA ARG A 96 -7.221 -18.599 4.077 1.00 0.74 C ATOM 1526 C ARG A 96 -8.210 -19.757 4.042 1.00 0.82 C ATOM 1527 O ARG A 96 -8.000 -20.791 4.677 1.00 0.93 O ATOM 1528 CB ARG A 96 -7.364 -17.780 5.360 1.00 0.84 C ATOM 1529 CG ARG A 96 -8.786 -17.313 5.638 1.00 1.65 C ATOM 1530 CD ARG A 96 -9.542 -18.313 6.499 1.00 2.45 C ATOM 1531 NE ARG A 96 -10.966 -17.999 6.583 1.00 2.91 N ATOM 1532 CZ ARG A 96 -11.803 -18.593 7.430 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -11.358 -19.523 8.265 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -13.086 -18.258 7.443 1.00 4.48 N ATOM 0 H ARG A 96 -7.745 -16.809 3.140 1.00 0.64 H new ATOM 0 HA ARG A 96 -6.206 -18.996 4.058 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.017 -18.379 6.202 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.711 -16.909 5.298 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -8.761 -16.345 6.139 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -9.314 -17.170 4.695 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -9.416 -19.314 6.087 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -9.114 -18.324 7.501 1.00 2.45 H new ATOM 0 HE ARG A 96 -11.340 -17.285 5.958 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -10.372 -19.784 8.259 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -12.002 -19.977 8.913 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -13.433 -17.544 6.803 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -13.726 -18.715 8.093 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.297 -19.567 3.287 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.301 -20.593 3.122 1.00 0.95 C ATOM 1550 C LYS A 97 -9.851 -21.532 2.008 1.00 0.94 C ATOM 1551 O LYS A 97 -10.282 -21.401 0.862 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.655 -19.966 2.749 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.884 -18.554 3.295 1.00 0.99 C ATOM 1554 CD LYS A 97 -13.235 -18.021 2.875 1.00 1.56 C ATOM 1555 CE LYS A 97 -13.118 -17.291 1.551 1.00 1.85 C ATOM 1556 NZ LYS A 97 -12.962 -18.234 0.409 1.00 2.92 N ATOM 0 H LYS A 97 -9.494 -18.703 2.783 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.420 -21.140 4.057 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.739 -19.938 1.663 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.452 -20.614 3.113 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.816 -18.566 4.383 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -11.099 -17.889 2.934 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -13.947 -18.842 2.785 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -13.622 -17.346 3.638 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -14.005 -16.676 1.396 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -12.263 -16.615 1.583 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -13.393 -17.822 -0.443 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.951 -18.407 0.237 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -13.433 -19.133 0.635 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.978 -22.472 2.348 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.461 -23.418 1.368 1.00 1.06 C ATOM 1572 C LYS A 98 -8.991 -24.823 1.633 1.00 1.22 C ATOM 1573 O LYS A 98 -10.065 -25.161 1.092 1.00 1.61 O ATOM 1574 CB LYS A 98 -6.927 -23.423 1.386 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.296 -22.033 1.446 1.00 1.07 C ATOM 1576 CD LYS A 98 -4.797 -22.096 1.212 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.212 -20.710 1.000 1.00 2.00 C ATOM 1578 NZ LYS A 98 -4.312 -19.873 2.225 1.00 2.74 N ATOM 1579 OXT LYS A 98 -8.329 -25.574 2.379 1.00 1.70 O ATOM 0 H LYS A 98 -8.614 -22.599 3.292 1.00 0.97 H new ATOM 0 HA LYS A 98 -8.803 -23.102 0.382 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.587 -24.001 2.245 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -6.566 -23.935 0.494 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.756 -21.390 0.696 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.496 -21.582 2.418 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.313 -22.570 2.066 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -4.589 -22.718 0.341 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -3.166 -20.798 0.705 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.734 -20.217 0.180 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -3.551 -19.164 2.224 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -5.234 -19.392 2.242 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -4.221 -20.477 3.067 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.314 -4.233 -2.700 1.00 0.65 N ATOM 1595 CA MET B 1 17.483 -5.426 -2.997 1.00 0.59 C ATOM 1596 C MET B 1 16.209 -5.026 -3.727 1.00 0.59 C ATOM 1597 O MET B 1 15.932 -3.840 -3.906 1.00 0.60 O ATOM 1598 CB MET B 1 17.139 -6.165 -1.700 1.00 0.58 C ATOM 1599 CG MET B 1 18.247 -7.103 -1.197 1.00 0.60 C ATOM 1600 SD MET B 1 18.858 -8.262 -2.431 1.00 0.94 S ATOM 1601 CE MET B 1 20.263 -7.358 -3.082 1.00 1.18 C ATOM 0 H1 MET B 1 19.229 -4.536 -2.310 1.00 0.65 H new ATOM 0 H2 MET B 1 18.472 -3.693 -3.575 1.00 0.65 H new ATOM 0 H3 MET B 1 17.824 -3.632 -2.007 1.00 0.65 H new ATOM 0 HA MET B 1 18.055 -6.092 -3.643 1.00 0.59 H new ATOM 0 HB2 MET B 1 16.920 -5.431 -0.924 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.230 -6.746 -1.856 1.00 0.58 H new ATOM 0 HG2 MET B 1 19.081 -6.500 -0.838 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.870 -7.666 -0.343 1.00 0.60 H new ATOM 0 HE1 MET B 1 20.385 -7.588 -4.140 1.00 1.18 H new ATOM 0 HE2 MET B 1 20.095 -6.288 -2.960 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.164 -7.648 -2.542 1.00 1.18 H new ATOM 1613 N ALA B 2 15.438 -6.020 -4.148 1.00 0.61 N ATOM 1614 CA ALA B 2 14.190 -5.760 -4.863 1.00 0.64 C ATOM 1615 C ALA B 2 12.990 -6.106 -4.009 1.00 0.62 C ATOM 1616 O ALA B 2 13.106 -6.838 -3.032 1.00 0.71 O ATOM 1617 CB ALA B 2 14.120 -6.536 -6.168 1.00 0.72 C ATOM 0 H ALA B 2 15.650 -7.008 -4.009 1.00 0.61 H new ATOM 0 HA ALA B 2 14.173 -4.694 -5.090 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.178 -6.317 -6.671 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.951 -6.244 -6.810 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.180 -7.604 -5.960 1.00 0.72 H new ATOM 1623 N ALA B 3 11.834 -5.576 -4.384 1.00 0.73 N ATOM 1624 CA ALA B 3 10.613 -5.853 -3.655 1.00 0.75 C ATOM 1625 C ALA B 3 10.233 -7.307 -3.841 1.00 0.65 C ATOM 1626 O ALA B 3 9.337 -7.640 -4.617 1.00 0.81 O ATOM 1627 CB ALA B 3 9.490 -4.949 -4.133 1.00 1.04 C ATOM 0 H ALA B 3 11.720 -4.955 -5.185 1.00 0.73 H new ATOM 0 HA ALA B 3 10.779 -5.657 -2.596 1.00 0.75 H new ATOM 0 HB1 ALA B 3 8.581 -5.171 -3.574 1.00 1.04 H new ATOM 0 HB2 ALA B 3 9.768 -3.907 -3.973 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.314 -5.119 -5.195 1.00 1.04 H new ATOM 1633 N GLU B 4 10.934 -8.170 -3.124 1.00 0.62 N ATOM 1634 CA GLU B 4 10.694 -9.596 -3.202 1.00 0.75 C ATOM 1635 C GLU B 4 9.327 -9.926 -2.585 1.00 0.74 C ATOM 1636 O GLU B 4 8.332 -9.298 -2.949 1.00 0.86 O ATOM 1637 CB GLU B 4 11.837 -10.342 -2.505 1.00 0.97 C ATOM 1638 CG GLU B 4 11.938 -11.832 -2.831 1.00 1.45 C ATOM 1639 CD GLU B 4 10.781 -12.382 -3.656 1.00 2.42 C ATOM 1640 OE1 GLU B 4 10.683 -12.032 -4.851 1.00 3.02 O ATOM 1641 OE2 GLU B 4 9.975 -13.159 -3.101 1.00 3.20 O ATOM 0 H GLU B 4 11.677 -7.903 -2.479 1.00 0.62 H new ATOM 0 HA GLU B 4 10.670 -9.920 -4.243 1.00 0.75 H new ATOM 0 HB2 GLU B 4 12.779 -9.863 -2.774 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.718 -10.230 -1.427 1.00 0.97 H new ATOM 0 HG2 GLU B 4 12.868 -12.010 -3.371 1.00 1.45 H new ATOM 0 HG3 GLU B 4 11.999 -12.391 -1.897 1.00 1.45 H new ATOM 1648 N THR B 5 9.249 -10.893 -1.664 1.00 0.70 N ATOM 1649 CA THR B 5 7.967 -11.222 -1.060 1.00 0.75 C ATOM 1650 C THR B 5 7.463 -10.089 -0.148 1.00 0.62 C ATOM 1651 O THR B 5 7.784 -8.923 -0.375 1.00 0.79 O ATOM 1652 CB THR B 5 8.030 -12.549 -0.289 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.043 -13.397 -0.845 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.681 -13.237 -0.376 1.00 1.08 C ATOM 0 H THR B 5 10.040 -11.445 -1.332 1.00 0.70 H new ATOM 0 HA THR B 5 7.253 -11.340 -1.875 1.00 0.75 H new ATOM 0 HB THR B 5 8.276 -12.349 0.754 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.767 -13.511 -0.195 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.718 -14.180 0.169 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.916 -12.595 0.061 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.438 -13.431 -1.421 1.00 1.08 H new ATOM 1662 N LEU B 6 6.677 -10.428 0.880 1.00 0.54 N ATOM 1663 CA LEU B 6 6.115 -9.432 1.782 1.00 0.50 C ATOM 1664 C LEU B 6 7.185 -8.773 2.646 1.00 0.49 C ATOM 1665 O LEU B 6 7.593 -9.313 3.668 1.00 0.56 O ATOM 1666 CB LEU B 6 5.080 -10.082 2.699 1.00 0.60 C ATOM 1667 CG LEU B 6 3.784 -10.528 2.035 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.835 -12.015 1.718 1.00 1.15 C ATOM 1669 CD2 LEU B 6 2.605 -10.212 2.941 1.00 1.07 C ATOM 0 H LEU B 6 6.419 -11.389 1.104 1.00 0.54 H new ATOM 0 HA LEU B 6 5.651 -8.665 1.162 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.539 -10.949 3.174 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.834 -9.377 3.493 1.00 0.60 H new ATOM 0 HG LEU B 6 3.660 -9.985 1.098 1.00 0.75 H new ATOM 0 HD11 LEU B 6 2.902 -12.318 1.244 1.00 1.15 H new ATOM 0 HD12 LEU B 6 4.667 -12.215 1.042 1.00 1.15 H new ATOM 0 HD13 LEU B 6 3.973 -12.579 2.640 1.00 1.15 H new ATOM 0 HD21 LEU B 6 1.681 -10.533 2.461 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.723 -10.738 3.889 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.564 -9.138 3.124 1.00 1.07 H new ATOM 1681 N THR B 7 7.617 -7.589 2.252 1.00 0.50 N ATOM 1682 CA THR B 7 8.620 -6.873 3.018 1.00 0.53 C ATOM 1683 C THR B 7 8.018 -6.339 4.306 1.00 0.48 C ATOM 1684 O THR B 7 6.818 -6.438 4.515 1.00 0.55 O ATOM 1685 CB THR B 7 9.214 -5.709 2.211 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.778 -5.783 0.854 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.726 -5.732 2.258 1.00 0.80 C ATOM 0 H THR B 7 7.293 -7.107 1.414 1.00 0.50 H new ATOM 0 HA THR B 7 9.420 -7.576 3.252 1.00 0.53 H new ATOM 0 HB THR B 7 8.867 -4.777 2.657 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.833 -5.528 0.799 1.00 0.83 H new ATOM 0 HG21 THR B 7 11.121 -4.897 1.679 1.00 0.80 H new ATOM 0 HG22 THR B 7 11.059 -5.646 3.292 1.00 0.80 H new ATOM 0 HG23 THR B 7 11.089 -6.670 1.837 1.00 0.80 H new ATOM 1695 N GLU B 8 8.847 -5.745 5.160 1.00 0.46 N ATOM 1696 CA GLU B 8 8.373 -5.204 6.440 1.00 0.45 C ATOM 1697 C GLU B 8 7.037 -4.482 6.276 1.00 0.41 C ATOM 1698 O GLU B 8 6.230 -4.413 7.203 1.00 0.42 O ATOM 1699 CB GLU B 8 9.395 -4.229 7.030 1.00 0.50 C ATOM 1700 CG GLU B 8 10.844 -4.656 6.851 1.00 0.52 C ATOM 1701 CD GLU B 8 11.086 -6.097 7.256 1.00 1.09 C ATOM 1702 OE1 GLU B 8 10.864 -6.995 6.416 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.497 -6.328 8.412 1.00 1.67 O ATOM 0 H GLU B 8 9.846 -5.624 4.994 1.00 0.46 H new ATOM 0 HA GLU B 8 8.241 -6.048 7.116 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.257 -3.252 6.567 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.193 -4.109 8.094 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.131 -4.523 5.808 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.486 -4.004 7.443 1.00 0.52 H new ATOM 1710 N LEU B 9 6.824 -3.947 5.084 1.00 0.41 N ATOM 1711 CA LEU B 9 5.609 -3.222 4.757 1.00 0.40 C ATOM 1712 C LEU B 9 4.344 -4.055 4.955 1.00 0.38 C ATOM 1713 O LEU B 9 3.276 -3.499 5.206 1.00 0.40 O ATOM 1714 CB LEU B 9 5.700 -2.754 3.310 1.00 0.46 C ATOM 1715 CG LEU B 9 7.051 -2.162 2.900 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.902 -1.354 1.630 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.651 -1.314 4.017 1.00 0.93 C ATOM 0 H LEU B 9 7.491 -4.004 4.315 1.00 0.41 H new ATOM 0 HA LEU B 9 5.531 -2.376 5.440 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.478 -3.598 2.657 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.926 -2.006 3.138 1.00 0.46 H new ATOM 0 HG LEU B 9 7.739 -2.986 2.712 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.869 -0.938 1.348 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.537 -1.998 0.830 1.00 0.93 H new ATOM 0 HD13 LEU B 9 6.193 -0.543 1.796 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.610 -0.909 3.692 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.973 -0.494 4.256 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.800 -1.931 4.903 1.00 0.93 H new ATOM 1729 N GLU B 10 4.444 -5.382 4.847 1.00 0.38 N ATOM 1730 CA GLU B 10 3.264 -6.230 5.039 1.00 0.39 C ATOM 1731 C GLU B 10 2.675 -5.940 6.405 1.00 0.38 C ATOM 1732 O GLU B 10 1.464 -5.997 6.599 1.00 0.40 O ATOM 1733 CB GLU B 10 3.610 -7.713 4.921 1.00 0.45 C ATOM 1734 CG GLU B 10 4.965 -8.058 5.499 1.00 0.45 C ATOM 1735 CD GLU B 10 4.935 -9.305 6.360 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.135 -10.410 5.813 1.00 1.16 O ATOM 1737 OE2 GLU B 10 4.713 -9.177 7.583 1.00 1.26 O ATOM 0 H GLU B 10 5.306 -5.883 4.633 1.00 0.38 H new ATOM 0 HA GLU B 10 2.539 -6.003 4.257 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.845 -8.299 5.430 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.586 -8.002 3.870 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.676 -8.200 4.686 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.325 -7.219 6.095 1.00 0.45 H new ATOM 1744 N ALA B 11 3.550 -5.624 7.358 1.00 0.39 N ATOM 1745 CA ALA B 11 3.106 -5.269 8.696 1.00 0.39 C ATOM 1746 C ALA B 11 2.098 -4.137 8.584 1.00 0.36 C ATOM 1747 O ALA B 11 1.202 -3.991 9.415 1.00 0.39 O ATOM 1748 CB ALA B 11 4.285 -4.852 9.563 1.00 0.42 C ATOM 0 H ALA B 11 4.561 -5.608 7.226 1.00 0.39 H new ATOM 0 HA ALA B 11 2.641 -6.133 9.170 1.00 0.39 H new ATOM 0 HB1 ALA B 11 3.929 -4.591 10.560 1.00 0.42 H new ATOM 0 HB2 ALA B 11 4.993 -5.677 9.635 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.778 -3.989 9.116 1.00 0.42 H new ATOM 1754 N ALA B 12 2.266 -3.336 7.531 1.00 0.33 N ATOM 1755 CA ALA B 12 1.366 -2.231 7.260 1.00 0.32 C ATOM 1756 C ALA B 12 0.018 -2.757 6.795 1.00 0.33 C ATOM 1757 O ALA B 12 -1.015 -2.130 7.031 1.00 0.34 O ATOM 1758 CB ALA B 12 1.965 -1.293 6.223 1.00 0.34 C ATOM 0 H ALA B 12 3.022 -3.438 6.854 1.00 0.33 H new ATOM 0 HA ALA B 12 1.220 -1.666 8.181 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.274 -0.471 6.034 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.909 -0.895 6.595 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.141 -1.840 5.296 1.00 0.34 H new ATOM 1764 N ILE B 13 0.023 -3.918 6.128 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.223 -4.513 5.664 1.00 0.40 C ATOM 1766 C ILE B 13 -2.188 -4.639 6.844 1.00 0.39 C ATOM 1767 O ILE B 13 -3.403 -4.570 6.679 1.00 0.42 O ATOM 1768 CB ILE B 13 -1.021 -5.905 5.000 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -0.329 -5.755 3.646 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -2.350 -6.633 4.813 1.00 0.99 C ATOM 1771 CD1 ILE B 13 0.306 -7.039 3.158 1.00 2.05 C ATOM 0 H ILE B 13 0.863 -4.451 5.904 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.633 -3.855 4.897 1.00 0.40 H new ATOM 0 HB ILE B 13 -0.394 -6.497 5.667 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.056 -5.413 2.909 1.00 0.90 H new ATOM 0 HG13 ILE B 13 0.437 -4.983 3.720 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -2.172 -7.602 4.347 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -2.824 -6.779 5.783 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -3.004 -6.038 4.175 1.00 0.99 H new ATOM 0 HD11 ILE B 13 0.781 -6.866 2.192 1.00 2.05 H new ATOM 0 HD12 ILE B 13 1.056 -7.370 3.877 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -0.460 -7.807 3.053 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.612 -4.811 8.037 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.384 -4.956 9.267 1.00 0.42 C ATOM 1785 C GLU B 14 -3.209 -3.708 9.572 1.00 0.38 C ATOM 1786 O GLU B 14 -4.374 -3.811 9.953 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.451 -5.259 10.441 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.738 -6.596 10.323 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.699 -7.768 10.277 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -2.066 -8.278 11.356 1.00 2.02 O ATOM 1791 OE2 GLU B 14 -2.084 -8.176 9.161 1.00 2.25 O ATOM 0 H GLU B 14 -0.602 -4.853 8.174 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.075 -5.786 9.123 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.707 -4.466 10.517 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.028 -5.245 11.366 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.125 -6.598 9.422 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.062 -6.719 11.169 1.00 0.79 H new ATOM 1798 N THR B 15 -2.610 -2.528 9.418 1.00 0.30 N ATOM 1799 CA THR B 15 -3.318 -1.299 9.684 1.00 0.28 C ATOM 1800 C THR B 15 -4.427 -1.106 8.665 1.00 0.28 C ATOM 1801 O THR B 15 -5.595 -0.949 9.009 1.00 0.34 O ATOM 1802 CB THR B 15 -2.372 -0.086 9.644 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.349 -0.227 10.637 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.136 1.211 9.876 1.00 0.32 C ATOM 0 H THR B 15 -1.644 -2.408 9.113 1.00 0.30 H new ATOM 0 HA THR B 15 -3.744 -1.371 10.685 1.00 0.28 H new ATOM 0 HB THR B 15 -1.915 -0.046 8.655 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.483 0.025 10.253 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.444 2.052 9.843 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.892 1.332 9.100 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.620 1.178 10.852 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.031 -1.138 7.405 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.949 -0.978 6.289 1.00 0.28 C ATOM 1814 C VAL B 16 -6.027 -2.052 6.295 1.00 0.30 C ATOM 1815 O VAL B 16 -7.193 -1.774 6.009 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.177 -1.057 4.961 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.532 -2.418 4.822 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.094 -0.785 3.788 1.00 0.33 C ATOM 0 H VAL B 16 -3.060 -1.276 7.125 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.426 -0.004 6.392 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.399 -0.293 4.965 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.987 -2.468 3.879 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.841 -2.580 5.650 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.302 -3.189 4.837 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.526 -0.846 2.860 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.895 -1.525 3.773 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.523 0.212 3.885 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.639 -3.278 6.620 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.589 -4.379 6.648 1.00 0.33 C ATOM 1830 C VAL B 17 -7.485 -4.296 7.878 1.00 0.30 C ATOM 1831 O VAL B 17 -8.688 -4.548 7.805 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.883 -5.751 6.612 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.209 -6.067 7.942 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.872 -6.844 6.236 1.00 0.50 C ATOM 0 H VAL B 17 -4.682 -3.533 6.866 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.202 -4.288 5.751 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.103 -5.708 5.852 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.722 -7.040 7.881 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.465 -5.302 8.164 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.958 -6.085 8.734 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.360 -7.806 6.214 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.675 -6.877 6.972 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.290 -6.633 5.252 1.00 0.50 H new ATOM 1844 N SER B 18 -6.885 -3.941 9.007 1.00 0.33 N ATOM 1845 CA SER B 18 -7.617 -3.827 10.260 1.00 0.40 C ATOM 1846 C SER B 18 -8.363 -2.497 10.361 1.00 0.44 C ATOM 1847 O SER B 18 -9.195 -2.317 11.247 1.00 0.59 O ATOM 1848 CB SER B 18 -6.665 -3.982 11.446 1.00 0.51 C ATOM 1849 OG SER B 18 -7.361 -3.877 12.677 1.00 1.32 O ATOM 0 H SER B 18 -5.890 -3.727 9.080 1.00 0.33 H new ATOM 0 HA SER B 18 -8.356 -4.628 10.282 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.163 -4.948 11.390 1.00 0.51 H new ATOM 0 HB3 SER B 18 -5.890 -3.217 11.397 1.00 0.51 H new ATOM 0 HG SER B 18 -8.189 -3.370 12.543 1.00 1.32 H new ATOM 1855 N THR B 19 -8.035 -1.548 9.494 1.00 0.37 N ATOM 1856 CA THR B 19 -8.711 -0.253 9.511 1.00 0.45 C ATOM 1857 C THR B 19 -10.020 -0.248 8.714 1.00 0.46 C ATOM 1858 O THR B 19 -11.077 -0.601 9.237 1.00 0.53 O ATOM 1859 CB THR B 19 -7.798 0.900 9.033 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.084 0.544 7.834 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.811 1.291 10.122 1.00 0.49 C ATOM 0 H THR B 19 -7.315 -1.646 8.778 1.00 0.37 H new ATOM 0 HA THR B 19 -8.959 -0.082 10.559 1.00 0.45 H new ATOM 0 HB THR B 19 -8.440 1.752 8.810 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.509 -0.229 8.013 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.178 2.104 9.765 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.357 1.618 11.007 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.190 0.432 10.375 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.937 0.156 7.446 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.102 0.253 6.579 1.00 0.53 C ATOM 1871 C PHE B 20 -11.537 -1.096 6.052 1.00 0.53 C ATOM 1872 O PHE B 20 -12.728 -1.386 5.970 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.759 1.196 5.427 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.703 1.153 4.261 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -13.041 1.469 4.419 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -11.241 0.799 3.005 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.901 1.432 3.341 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -12.095 0.761 1.925 1.00 1.37 C ATOM 1879 CZ PHE B 20 -13.425 1.076 2.091 1.00 1.18 C ATOM 0 H PHE B 20 -9.061 0.423 6.996 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.941 0.642 7.156 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.728 2.216 5.811 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.757 0.959 5.071 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.415 1.747 5.394 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -10.199 0.550 2.870 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.944 1.680 3.472 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -11.722 0.485 0.950 1.00 1.37 H new ATOM 0 HZ PHE B 20 -14.097 1.045 1.246 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.580 -1.914 5.697 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.885 -3.210 5.159 1.00 0.47 C ATOM 1891 C PHE B 21 -11.758 -4.019 6.106 1.00 0.49 C ATOM 1892 O PHE B 21 -12.389 -4.992 5.698 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.584 -3.936 4.813 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.727 -3.223 3.798 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.142 -2.035 3.216 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.494 -3.740 3.439 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.347 -1.384 2.300 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.696 -3.092 2.523 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.121 -1.911 1.951 1.00 0.53 C ATOM 0 H PHE B 21 -9.585 -1.704 5.771 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.465 -3.087 4.244 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.005 -4.075 5.726 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.825 -4.929 4.434 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.100 -1.615 3.484 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.154 -4.664 3.883 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.684 -0.460 1.854 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.737 -3.509 2.252 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.496 -1.401 1.233 1.00 0.53 H new ATOM 1909 N THR B 22 -11.803 -3.622 7.367 1.00 0.48 N ATOM 1910 CA THR B 22 -12.653 -4.304 8.323 1.00 0.54 C ATOM 1911 C THR B 22 -14.107 -4.221 7.879 1.00 0.48 C ATOM 1912 O THR B 22 -14.952 -4.992 8.334 1.00 0.53 O ATOM 1913 CB THR B 22 -12.509 -3.710 9.726 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.863 -2.328 9.712 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.087 -3.875 10.210 1.00 0.81 C ATOM 0 H THR B 22 -11.268 -2.841 7.747 1.00 0.48 H new ATOM 0 HA THR B 22 -12.339 -5.347 8.362 1.00 0.54 H new ATOM 0 HB THR B 22 -13.179 -4.238 10.405 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.053 -1.782 9.789 1.00 0.66 H new ATOM 0 HG21 THR B 22 -10.991 -3.450 11.209 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.834 -4.935 10.240 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.409 -3.359 9.530 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.394 -3.273 6.983 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.739 -3.105 6.465 1.00 0.51 C ATOM 1925 C PHE B 23 -16.164 -4.353 5.690 1.00 0.44 C ATOM 1926 O PHE B 23 -17.346 -4.558 5.426 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.823 -1.785 5.666 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.087 -1.858 4.186 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.224 -2.448 3.661 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.195 -1.265 3.319 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -17.456 -2.439 2.303 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.415 -1.263 1.964 1.00 1.88 C ATOM 1933 CZ PHE B 23 -16.549 -1.847 1.456 1.00 1.83 C ATOM 0 H PHE B 23 -13.710 -2.616 6.607 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.462 -3.011 7.275 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.608 -1.176 6.113 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -14.884 -1.250 5.809 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.936 -2.920 4.322 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -14.307 -0.793 3.713 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -18.349 -2.896 1.904 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -14.698 -0.803 1.300 1.00 1.88 H new ATOM 0 HZ PHE B 23 -16.729 -1.841 0.391 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.196 -5.224 5.376 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.495 -6.488 4.691 1.00 0.59 C ATOM 1945 C ALA B 24 -16.704 -7.143 5.338 1.00 0.61 C ATOM 1946 O ALA B 24 -17.589 -7.674 4.667 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.300 -7.426 4.770 1.00 0.71 C ATOM 0 H ALA B 24 -14.208 -5.079 5.583 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.710 -6.281 3.643 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.535 -8.359 4.258 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.438 -6.958 4.294 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.069 -7.634 5.815 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.713 -7.093 6.666 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.817 -7.625 7.447 1.00 0.85 C ATOM 1955 C GLY B 25 -19.171 -7.353 6.815 1.00 0.74 C ATOM 1956 O GLY B 25 -20.116 -8.113 7.029 1.00 0.82 O ATOM 0 H GLY B 25 -15.962 -6.686 7.224 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.686 -8.701 7.566 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.793 -7.188 8.445 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.275 -6.261 6.037 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.523 -5.924 5.337 1.00 0.59 C ATOM 1962 C ARG B 26 -21.129 -7.190 4.752 1.00 0.58 C ATOM 1963 O ARG B 26 -22.310 -7.487 4.933 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.243 -4.921 4.214 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.438 -4.655 3.311 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.280 -3.507 3.833 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.510 -3.336 3.066 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.434 -2.423 3.351 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.263 -1.603 4.379 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.527 -2.329 2.607 1.00 2.82 N ATOM 0 H ARG B 26 -18.513 -5.601 5.879 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.221 -5.476 6.044 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.917 -3.979 4.655 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -19.417 -5.292 3.607 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.091 -4.425 2.304 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -22.050 -5.554 3.240 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.528 -3.686 4.879 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.699 -2.586 3.796 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.670 -3.950 2.268 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.422 -1.672 4.952 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.972 -0.903 4.597 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.660 -2.957 1.815 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -26.235 -1.628 2.827 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.285 -7.923 4.045 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.684 -9.203 3.461 1.00 0.57 C ATOM 1986 C GLU B 27 -20.508 -10.324 4.490 1.00 0.80 C ATOM 1987 O GLU B 27 -19.426 -10.509 5.048 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.854 -9.511 2.215 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.871 -8.398 1.182 1.00 0.85 C ATOM 1990 CD GLU B 27 -21.276 -8.032 0.744 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.893 -7.164 1.395 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -21.757 -8.616 -0.250 1.00 1.63 O ATOM 0 H GLU B 27 -19.318 -7.658 3.859 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.733 -9.138 3.173 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.823 -9.702 2.514 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.228 -10.426 1.757 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.382 -7.516 1.595 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.291 -8.706 0.312 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.585 -11.067 4.731 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.566 -12.147 5.707 1.00 1.87 C ATOM 2001 C GLY B 28 -20.298 -12.980 5.700 1.00 1.35 C ATOM 2002 O GLY B 28 -19.360 -12.697 6.444 1.00 1.58 O ATOM 0 H GLY B 28 -22.482 -10.939 4.262 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -21.701 -11.723 6.702 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.417 -12.802 5.521 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.284 -14.020 4.870 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.140 -14.930 4.777 1.00 1.06 C ATOM 2008 C ARG B 29 -17.811 -14.183 4.820 1.00 1.14 C ATOM 2009 O ARG B 29 -17.761 -12.961 4.668 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.224 -15.755 3.484 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.135 -16.817 3.336 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.357 -17.657 2.089 1.00 2.36 C ATOM 2013 NE ARG B 29 -18.469 -16.833 0.887 1.00 2.88 N ATOM 2014 CZ ARG B 29 -18.841 -17.307 -0.297 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.129 -18.594 -0.439 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -18.926 -16.495 -1.342 1.00 4.30 N ATOM 0 H ARG B 29 -21.056 -14.256 4.247 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.181 -15.592 5.642 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.198 -16.243 3.443 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.171 -15.077 2.632 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -17.158 -16.336 3.285 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -18.128 -17.461 4.216 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.531 -18.358 1.972 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -19.264 -18.250 2.208 1.00 2.36 H new ATOM 0 HE ARG B 29 -18.250 -15.840 0.961 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -19.065 -19.222 0.362 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.414 -18.955 -1.349 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -18.706 -15.505 -1.238 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -19.212 -16.861 -2.250 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.733 -14.933 5.009 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.398 -14.359 5.052 1.00 1.49 C ATOM 2032 C LYS B 30 -14.773 -14.488 3.677 1.00 1.34 C ATOM 2033 O LYS B 30 -13.760 -15.166 3.499 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.515 -15.103 6.054 1.00 2.04 C ATOM 2035 CG LYS B 30 -15.281 -15.706 7.226 1.00 2.66 C ATOM 2036 CD LYS B 30 -16.027 -14.636 8.009 1.00 3.51 C ATOM 2037 CE LYS B 30 -16.728 -15.218 9.227 1.00 4.01 C ATOM 2038 NZ LYS B 30 -17.726 -16.257 8.853 1.00 4.78 N ATOM 0 H LYS B 30 -16.760 -15.945 5.135 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.475 -13.315 5.356 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -13.983 -15.899 5.533 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.762 -14.416 6.440 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -15.988 -16.449 6.857 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -14.588 -16.226 7.887 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.327 -13.863 8.326 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -16.761 -14.156 7.361 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -15.987 -15.652 9.899 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -17.226 -14.418 9.775 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -18.297 -16.505 9.686 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -18.347 -15.888 8.105 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -17.232 -17.104 8.507 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.403 -13.861 2.702 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.903 -13.894 1.352 1.00 0.88 C ATOM 2054 C GLY B 31 -14.212 -12.618 0.991 1.00 0.81 C ATOM 2055 O GLY B 31 -12.995 -12.570 0.915 1.00 0.85 O ATOM 0 H GLY B 31 -16.262 -13.324 2.825 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.210 -14.728 1.240 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.728 -14.070 0.662 1.00 0.88 H new ATOM 2059 N SER B 32 -14.965 -11.595 0.678 1.00 0.74 N ATOM 2060 CA SER B 32 -14.345 -10.329 0.393 1.00 0.71 C ATOM 2061 C SER B 32 -15.190 -9.169 0.835 1.00 0.70 C ATOM 2062 O SER B 32 -16.336 -9.312 1.261 1.00 0.75 O ATOM 2063 CB SER B 32 -13.971 -10.189 -1.074 1.00 0.69 C ATOM 2064 OG SER B 32 -15.028 -10.598 -1.923 1.00 1.09 O ATOM 0 H SER B 32 -15.983 -11.611 0.615 1.00 0.74 H new ATOM 0 HA SER B 32 -13.424 -10.310 0.975 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.713 -9.152 -1.287 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.084 -10.787 -1.283 1.00 0.69 H new ATOM 0 HG SER B 32 -14.760 -11.401 -2.416 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.582 -8.021 0.719 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.203 -6.769 1.045 1.00 0.74 C ATOM 2072 C LEU B 33 -15.694 -6.165 -0.253 1.00 0.57 C ATOM 2073 O LEU B 33 -15.195 -6.546 -1.306 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.175 -5.892 1.715 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.488 -4.408 1.778 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.917 -3.827 3.056 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.889 -3.715 0.571 1.00 1.69 C ATOM 0 H LEU B 33 -13.621 -7.929 0.388 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.045 -6.884 1.728 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.030 -6.253 2.733 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.226 -6.019 1.193 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.567 -4.257 1.772 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.141 -2.761 3.103 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.362 -4.329 3.915 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.837 -3.972 3.071 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.113 -2.649 0.615 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.809 -3.859 0.568 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.314 -4.138 -0.339 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.701 -5.297 -0.233 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.192 -4.761 -1.462 1.00 0.47 C ATOM 2091 C ASN B 34 -17.098 -3.238 -1.501 1.00 0.41 C ATOM 2092 O ASN B 34 -16.017 -2.677 -1.367 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.617 -5.287 -1.669 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.048 -5.261 -3.121 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.610 -4.275 -3.597 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -18.786 -6.351 -3.832 1.00 2.12 N ATOM 0 H ASN B 34 -17.173 -4.966 0.609 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.570 -5.093 -2.293 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.680 -6.309 -1.294 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.310 -4.688 -1.078 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.053 -6.395 -4.816 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.318 -7.145 -3.395 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.200 -2.573 -1.752 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.208 -1.121 -1.782 1.00 0.54 C ATOM 2105 C ILE B 35 -19.433 -0.551 -1.096 1.00 0.56 C ATOM 2106 O ILE B 35 -19.913 0.522 -1.452 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.134 -0.549 -3.206 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -18.902 -1.443 -4.173 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -16.687 -0.383 -3.637 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.338 -1.670 -3.765 1.00 1.04 C ATOM 0 H ILE B 35 -19.103 -3.008 -1.939 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.310 -0.822 -1.242 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.599 0.437 -3.216 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -18.880 -0.995 -5.166 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.396 -2.406 -4.247 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -16.653 0.023 -4.648 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.180 0.299 -2.955 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.188 -1.352 -3.618 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -20.826 -2.314 -4.496 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.367 -2.146 -2.785 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.859 -0.714 -3.719 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.939 -1.274 -0.114 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.090 -0.814 0.632 1.00 0.63 C ATOM 2124 C ASN B 36 -20.619 0.183 1.657 1.00 0.59 C ATOM 2125 O ASN B 36 -21.016 1.347 1.630 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.816 -1.973 1.304 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.405 -2.948 0.305 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -21.743 -3.892 -0.125 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.660 -2.724 -0.070 1.00 1.90 N ATOM 0 H ASN B 36 -19.571 -2.178 0.183 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.800 -0.346 -0.049 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.122 -2.502 1.957 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.612 -1.581 1.936 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.111 -3.347 -0.740 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.172 -1.929 0.312 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.786 -0.262 2.582 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.255 0.677 3.549 1.00 0.56 C ATOM 2138 C GLU B 37 -18.137 1.505 2.922 1.00 0.50 C ATOM 2139 O GLU B 37 -17.768 2.554 3.449 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.795 -0.016 4.815 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.643 -1.225 5.171 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.283 -1.816 6.518 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.874 -1.386 7.531 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.412 -2.707 6.562 1.00 1.28 O ATOM 0 H GLU B 37 -19.474 -1.228 2.682 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.059 1.353 3.840 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.758 -0.329 4.695 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.820 0.694 5.641 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.694 -0.938 5.174 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.523 -1.987 4.401 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.592 1.037 1.789 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.577 1.790 1.075 1.00 0.43 C ATOM 2153 C PHE B 38 -17.144 3.171 0.780 1.00 0.45 C ATOM 2154 O PHE B 38 -16.431 4.161 0.710 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.232 1.086 -0.238 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.039 1.642 -0.962 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.045 2.938 -1.445 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -13.918 0.858 -1.171 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -13.953 3.445 -2.124 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -12.820 1.358 -1.848 1.00 1.21 C ATOM 2161 CZ PHE B 38 -12.838 2.654 -2.325 1.00 0.46 C ATOM 0 H PHE B 38 -17.842 0.147 1.359 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.671 1.867 1.675 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.053 0.031 -0.031 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.097 1.139 -0.899 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.913 3.561 -1.290 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -13.900 -0.157 -0.801 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -13.971 4.458 -2.497 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -11.951 0.736 -2.003 1.00 1.21 H new ATOM 0 HZ PHE B 38 -11.983 3.048 -2.854 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.464 3.218 0.639 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.155 4.462 0.367 1.00 0.53 C ATOM 2173 C LYS B 39 -18.862 5.498 1.446 1.00 0.54 C ATOM 2174 O LYS B 39 -19.113 6.691 1.275 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.650 4.205 0.240 1.00 0.62 C ATOM 2176 CG LYS B 39 -20.949 3.068 -0.708 1.00 0.68 C ATOM 2177 CD LYS B 39 -21.703 3.540 -1.940 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.079 4.072 -1.578 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.778 4.653 -2.757 1.00 1.82 N ATOM 0 H LYS B 39 -19.074 2.404 0.710 1.00 0.49 H new ATOM 0 HA LYS B 39 -18.791 4.866 -0.577 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.064 3.977 1.222 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.145 5.110 -0.112 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.016 2.595 -1.013 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.537 2.310 -0.191 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.130 4.320 -2.442 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -21.804 2.715 -2.645 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.681 3.266 -1.160 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -22.982 4.832 -0.803 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -24.713 5.005 -2.468 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.216 5.439 -3.141 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.894 3.921 -3.487 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.366 5.030 2.573 1.00 0.53 N ATOM 2194 CA GLU B 40 -17.989 5.903 3.657 1.00 0.57 C ATOM 2195 C GLU B 40 -16.602 6.493 3.390 1.00 0.55 C ATOM 2196 O GLU B 40 -16.110 7.309 4.168 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.979 5.111 4.962 1.00 0.61 C ATOM 2198 CG GLU B 40 -19.208 4.238 5.144 1.00 1.09 C ATOM 2199 CD GLU B 40 -20.408 5.012 5.654 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -21.137 5.592 4.823 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -20.619 5.037 6.885 1.00 2.42 O ATOM 0 H GLU B 40 -18.215 4.039 2.759 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.708 6.719 3.736 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -17.088 4.483 4.991 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -17.907 5.805 5.800 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -19.460 3.771 4.192 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -18.977 3.434 5.842 1.00 1.09 H new ATOM 2208 N LEU B 41 -15.975 6.086 2.273 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.648 6.558 1.938 1.00 0.50 C ATOM 2210 C LEU B 41 -14.686 7.923 1.302 1.00 0.55 C ATOM 2211 O LEU B 41 -14.609 8.931 2.005 1.00 0.63 O ATOM 2212 CB LEU B 41 -13.923 5.587 0.997 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.681 4.190 1.524 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.589 3.503 0.719 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.330 4.214 3.007 1.00 0.66 C ATOM 0 H LEU B 41 -16.375 5.434 1.598 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.099 6.620 2.878 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.501 5.509 0.076 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -12.960 6.023 0.733 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.603 3.620 1.413 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.426 2.499 1.110 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.892 3.441 -0.326 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.665 4.076 0.795 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.162 3.196 3.358 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.426 4.804 3.157 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.151 4.660 3.568 1.00 0.66 H new ATOM 2227 N ALA B 42 -14.803 7.960 -0.034 1.00 0.55 N ATOM 2228 CA ALA B 42 -14.773 9.219 -0.779 1.00 0.62 C ATOM 2229 C ALA B 42 -15.507 10.301 -0.031 1.00 0.68 C ATOM 2230 O ALA B 42 -15.077 11.440 0.029 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.371 9.031 -2.143 1.00 0.65 C ATOM 0 H ALA B 42 -14.919 7.131 -0.617 1.00 0.55 H new ATOM 0 HA ALA B 42 -13.733 9.526 -0.890 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.342 9.976 -2.686 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.801 8.280 -2.690 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.405 8.700 -2.045 1.00 0.65 H new ATOM 2237 N THR B 43 -16.577 9.897 0.609 1.00 0.65 N ATOM 2238 CA THR B 43 -17.390 10.804 1.372 1.00 0.73 C ATOM 2239 C THR B 43 -16.540 11.581 2.383 1.00 0.78 C ATOM 2240 O THR B 43 -16.550 12.811 2.402 1.00 0.85 O ATOM 2241 CB THR B 43 -18.516 10.039 2.087 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.010 8.801 2.610 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.655 9.756 1.119 1.00 0.76 C ATOM 0 H THR B 43 -16.906 8.932 0.614 1.00 0.65 H new ATOM 0 HA THR B 43 -17.838 11.522 0.686 1.00 0.73 H new ATOM 0 HB THR B 43 -18.890 10.652 2.907 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.414 8.051 2.125 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.446 9.214 1.637 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.050 10.697 0.737 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.286 9.154 0.289 1.00 0.76 H new ATOM 2251 N GLN B 44 -15.828 10.850 3.235 1.00 0.76 N ATOM 2252 CA GLN B 44 -14.947 11.453 4.240 1.00 0.84 C ATOM 2253 C GLN B 44 -13.587 11.798 3.656 1.00 0.83 C ATOM 2254 O GLN B 44 -13.066 12.885 3.898 1.00 0.92 O ATOM 2255 CB GLN B 44 -14.791 10.501 5.425 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.094 10.240 6.165 1.00 1.54 C ATOM 2257 CD GLN B 44 -15.913 9.333 7.367 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -15.673 9.799 8.481 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -16.027 8.029 7.146 1.00 2.74 N ATOM 0 H GLN B 44 -15.842 9.830 3.252 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.403 12.383 4.579 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.387 9.553 5.069 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.063 10.916 6.122 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -16.518 11.190 6.492 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -16.812 9.789 5.480 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -16.227 7.687 6.206 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -15.915 7.370 7.916 1.00 2.74 H new ATOM 2268 N GLN B 45 -12.983 10.873 2.922 1.00 0.79 N ATOM 2269 CA GLN B 45 -11.702 11.164 2.321 1.00 0.82 C ATOM 2270 C GLN B 45 -11.855 12.326 1.342 1.00 0.78 C ATOM 2271 O GLN B 45 -10.866 12.934 0.933 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.085 9.930 1.658 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.104 8.981 1.094 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.597 8.109 -0.030 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -12.291 7.894 -1.018 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.401 7.568 0.128 1.00 1.45 N ATOM 0 H GLN B 45 -13.352 9.941 2.735 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.006 11.458 3.106 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -10.418 10.252 0.858 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -10.474 9.402 2.389 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.468 8.340 1.897 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.957 9.556 0.734 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -9.855 7.773 0.965 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.024 6.946 -0.587 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.113 12.641 0.963 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.384 13.781 0.090 1.00 0.78 C ATOM 2287 C LEU B 46 -12.645 14.982 0.652 1.00 0.74 C ATOM 2288 O LEU B 46 -11.610 15.361 0.112 1.00 0.75 O ATOM 2289 CB LEU B 46 -14.889 14.098 -0.038 1.00 0.83 C ATOM 2290 CG LEU B 46 -15.572 13.743 -1.372 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -16.917 14.449 -1.474 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -14.694 14.119 -2.556 1.00 1.30 C ATOM 0 H LEU B 46 -13.943 12.122 1.250 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.040 13.535 -0.915 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.414 13.573 0.760 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.026 15.165 0.138 1.00 0.83 H new ATOM 0 HG LEU B 46 -15.729 12.665 -1.396 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.392 14.192 -2.421 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.557 14.134 -0.650 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -16.766 15.527 -1.425 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.202 13.857 -3.484 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.500 15.192 -2.539 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -13.749 13.579 -2.495 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.112 15.601 1.763 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.366 16.725 2.287 1.00 0.80 C ATOM 2306 C PRO B 47 -11.190 16.304 3.137 1.00 0.77 C ATOM 2307 O PRO B 47 -11.287 16.090 4.345 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.400 17.418 3.168 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.291 16.319 3.640 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.339 15.312 2.527 1.00 0.90 C ATOM 0 HA PRO B 47 -11.942 17.339 1.492 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -12.927 17.932 4.005 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -13.959 18.168 2.608 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -13.904 15.870 4.555 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.288 16.696 3.867 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.346 14.291 2.907 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.233 15.430 1.914 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.088 16.187 2.447 1.00 0.73 N ATOM 2319 CA HIS B 48 -8.791 15.913 3.011 1.00 0.75 C ATOM 2320 C HIS B 48 -7.966 17.174 3.115 1.00 0.83 C ATOM 2321 O HIS B 48 -8.483 18.288 3.017 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.099 14.898 2.143 1.00 0.73 C ATOM 2323 CG HIS B 48 -7.998 13.580 2.829 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.092 12.784 3.051 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.952 12.955 3.417 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.733 11.727 3.751 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -7.438 11.806 3.986 1.00 1.59 N ATOM 0 H HIS B 48 -10.067 16.284 1.432 1.00 0.73 H new ATOM 0 HA HIS B 48 -8.910 15.520 4.021 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -8.646 14.783 1.207 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.101 15.255 1.887 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -5.928 13.297 3.435 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.387 10.932 4.077 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -6.887 11.123 4.507 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.670 16.983 3.310 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.743 18.088 3.284 1.00 1.00 C ATOM 2338 C LEU B 49 -5.422 18.323 1.808 1.00 0.98 C ATOM 2339 O LEU B 49 -5.862 19.306 1.212 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.478 17.784 4.098 1.00 1.10 C ATOM 2341 CG LEU B 49 -3.512 18.960 4.272 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -2.388 18.589 5.227 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -2.946 19.395 2.929 1.00 2.44 C ATOM 0 H LEU B 49 -6.244 16.073 3.487 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.173 18.978 3.742 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.777 17.432 5.085 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -3.944 16.965 3.616 1.00 1.10 H new ATOM 0 HG LEU B 49 -4.066 19.797 4.697 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -1.711 19.436 5.339 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -2.807 18.329 6.199 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -1.839 17.736 4.829 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -2.263 20.231 3.076 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.409 18.563 2.474 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -3.761 19.703 2.273 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.644 17.400 1.227 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.308 17.438 -0.195 1.00 1.01 C ATOM 2357 C LEU B 50 -5.386 16.706 -1.011 1.00 0.92 C ATOM 2358 O LEU B 50 -5.069 15.951 -1.930 1.00 1.01 O ATOM 2359 CB LEU B 50 -2.935 16.803 -0.435 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.389 16.955 -1.856 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.396 18.417 -2.277 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -0.983 16.381 -1.949 1.00 2.24 C ATOM 0 H LEU B 50 -4.234 16.612 1.729 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.269 18.478 -0.519 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.221 17.244 0.261 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -2.997 15.741 -0.198 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.035 16.399 -2.535 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.004 18.506 -3.290 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.416 18.799 -2.248 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -1.772 18.995 -1.595 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -0.609 16.497 -2.966 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.327 16.911 -1.259 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.004 15.323 -1.689 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.655 16.939 -0.677 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.783 16.284 -1.333 1.00 0.80 C ATOM 2376 C LYS B 51 -7.585 16.134 -2.834 1.00 0.89 C ATOM 2377 O LYS B 51 -6.939 16.957 -3.483 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.056 17.070 -1.019 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.270 16.720 -1.850 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.471 17.543 -1.404 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.784 16.946 -1.878 1.00 2.68 C ATOM 2382 NZ LYS B 51 -13.956 17.645 -1.287 1.00 3.58 N ATOM 0 H LYS B 51 -6.929 17.590 0.059 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.865 15.269 -0.943 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.303 16.919 0.032 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -8.845 18.132 -1.148 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.064 16.907 -2.904 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.492 15.657 -1.752 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.477 17.613 -0.316 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -11.376 18.559 -1.788 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.837 17.003 -2.965 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -12.819 15.889 -1.612 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -14.833 17.208 -1.635 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -13.919 17.569 -0.250 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -13.937 18.648 -1.561 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.159 15.061 -3.369 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.061 14.749 -4.790 1.00 1.17 C ATOM 2398 C ASP B 52 -9.381 15.028 -5.506 1.00 1.24 C ATOM 2399 O ASP B 52 -9.475 14.864 -6.721 1.00 1.47 O ATOM 2400 CB ASP B 52 -7.657 13.287 -4.984 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.593 12.893 -6.446 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.534 13.107 -7.072 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -8.601 12.369 -6.964 1.00 2.61 O ATOM 0 H ASP B 52 -8.703 14.386 -2.832 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.295 15.391 -5.225 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -6.684 13.118 -4.522 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.371 12.644 -4.469 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.406 15.376 -4.723 1.00 1.14 N ATOM 2409 CA VAL B 53 -11.725 15.725 -5.234 1.00 1.27 C ATOM 2410 C VAL B 53 -12.331 14.595 -6.031 1.00 1.24 C ATOM 2411 O VAL B 53 -12.391 14.615 -7.260 1.00 1.46 O ATOM 2412 CB VAL B 53 -11.753 17.050 -6.034 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -10.790 17.041 -7.210 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.168 17.353 -6.504 1.00 1.92 C ATOM 0 H VAL B 53 -10.338 15.422 -3.706 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.343 15.893 -4.352 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.421 17.840 -5.360 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -10.850 17.994 -7.737 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -9.773 16.890 -6.847 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -11.055 16.233 -7.891 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.173 18.287 -7.065 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -13.520 16.544 -7.144 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.826 17.445 -5.640 1.00 1.92 H new ATOM 2424 N GLY B 54 -12.765 13.600 -5.283 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.405 12.435 -5.865 1.00 1.09 C ATOM 2426 C GLY B 54 -14.752 12.778 -6.456 1.00 1.13 C ATOM 2427 O GLY B 54 -15.701 13.075 -5.731 1.00 1.23 O ATOM 0 H GLY B 54 -12.686 13.574 -4.266 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -12.763 12.016 -6.640 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -13.527 11.667 -5.102 1.00 1.09 H new ATOM 2431 N SER B 55 -14.834 12.745 -7.775 1.00 1.16 N ATOM 2432 CA SER B 55 -16.068 13.064 -8.471 1.00 1.24 C ATOM 2433 C SER B 55 -17.161 12.054 -8.137 1.00 1.10 C ATOM 2434 O SER B 55 -16.915 10.849 -8.086 1.00 1.09 O ATOM 2435 CB SER B 55 -15.802 13.101 -9.966 1.00 1.40 C ATOM 2436 OG SER B 55 -16.856 13.744 -10.663 1.00 1.62 O ATOM 0 H SER B 55 -14.056 12.499 -8.388 1.00 1.16 H new ATOM 0 HA SER B 55 -16.420 14.043 -8.145 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.865 13.624 -10.158 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.682 12.085 -10.341 1.00 1.40 H new ATOM 0 HG SER B 55 -16.656 13.754 -11.622 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.369 12.560 -7.916 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.511 11.721 -7.562 1.00 1.10 C ATOM 2444 C LEU B 56 -19.576 10.455 -8.410 1.00 0.98 C ATOM 2445 O LEU B 56 -19.608 9.347 -7.879 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.813 12.515 -7.705 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.036 11.902 -7.021 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.215 12.861 -7.082 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -22.401 10.570 -7.662 1.00 2.83 C ATOM 0 H LEU B 56 -18.585 13.555 -7.976 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.382 11.415 -6.524 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -20.655 13.515 -7.300 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.032 12.632 -8.766 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.788 11.722 -5.975 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -24.077 12.410 -6.591 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.955 13.790 -6.576 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.460 13.071 -8.123 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -23.273 10.152 -7.160 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -22.628 10.724 -8.717 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -21.563 9.879 -7.569 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.596 10.618 -9.724 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.665 9.472 -10.617 1.00 1.01 C ATOM 2463 C ASP B 57 -18.544 8.503 -10.355 1.00 0.95 C ATOM 2464 O ASP B 57 -18.763 7.307 -10.200 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.600 9.895 -12.072 1.00 1.15 C ATOM 2466 CG ASP B 57 -20.963 10.219 -12.651 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -21.382 11.392 -12.563 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -21.611 9.299 -13.192 1.00 2.48 O ATOM 0 H ASP B 57 -19.566 11.524 -10.192 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.622 8.988 -10.421 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -18.955 10.769 -12.163 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -19.142 9.098 -12.657 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.348 9.042 -10.306 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.143 8.251 -10.074 1.00 0.95 C ATOM 2475 C GLU B 58 -16.342 7.363 -8.871 1.00 0.87 C ATOM 2476 O GLU B 58 -15.840 6.240 -8.811 1.00 0.90 O ATOM 2477 CB GLU B 58 -14.928 9.155 -9.863 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.490 9.869 -11.131 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.190 10.630 -10.954 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -13.234 11.773 -10.453 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -12.128 10.082 -11.319 1.00 2.42 O ATOM 0 H GLU B 58 -17.174 10.040 -10.425 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.959 7.634 -10.954 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.162 9.896 -9.098 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -14.099 8.557 -9.485 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.373 9.139 -11.932 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -15.272 10.561 -11.442 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.085 7.884 -7.912 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.384 7.143 -6.714 1.00 0.76 C ATOM 2490 C LYS B 59 -18.386 6.041 -7.001 1.00 0.80 C ATOM 2491 O LYS B 59 -18.399 5.012 -6.329 1.00 0.79 O ATOM 2492 CB LYS B 59 -17.891 8.079 -5.624 1.00 0.75 C ATOM 2493 CG LYS B 59 -16.797 8.971 -5.059 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.141 10.449 -5.167 1.00 1.14 C ATOM 2495 CE LYS B 59 -17.955 10.928 -3.975 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.404 10.606 -4.114 1.00 2.67 N ATOM 0 H LYS B 59 -17.490 8.819 -7.945 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.467 6.673 -6.357 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.689 8.702 -6.028 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.325 7.489 -4.817 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.628 8.716 -4.013 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -15.864 8.778 -5.589 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -16.223 11.032 -5.238 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.702 10.626 -6.085 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -17.568 10.468 -3.065 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -17.833 12.006 -3.864 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -19.964 11.477 -4.015 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.578 10.187 -5.050 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -19.682 9.929 -3.375 1.00 2.67 H new ATOM 2510 N MET B 60 -19.227 6.269 -7.997 1.00 0.86 N ATOM 2511 CA MET B 60 -20.231 5.294 -8.395 1.00 0.92 C ATOM 2512 C MET B 60 -19.646 4.229 -9.331 1.00 0.96 C ATOM 2513 O MET B 60 -20.102 3.085 -9.340 1.00 1.01 O ATOM 2514 CB MET B 60 -21.404 6.000 -9.075 1.00 1.00 C ATOM 2515 CG MET B 60 -22.074 7.041 -8.192 1.00 1.01 C ATOM 2516 SD MET B 60 -23.661 7.593 -8.846 1.00 1.74 S ATOM 2517 CE MET B 60 -24.596 6.066 -8.798 1.00 2.31 C ATOM 0 H MET B 60 -19.234 7.127 -8.548 1.00 0.86 H new ATOM 0 HA MET B 60 -20.581 4.790 -7.494 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.050 6.481 -9.987 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.143 5.256 -9.373 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.222 6.625 -7.195 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.412 7.900 -8.084 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.599 6.265 -8.420 1.00 2.31 H new ATOM 0 HE2 MET B 60 -24.663 5.649 -9.803 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.096 5.354 -8.142 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.640 4.611 -10.121 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.009 3.680 -11.065 1.00 1.02 C ATOM 2529 C LYS B 61 -17.026 2.796 -10.336 1.00 0.96 C ATOM 2530 O LYS B 61 -17.176 1.575 -10.291 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.270 4.404 -12.198 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.643 5.862 -12.380 1.00 1.55 C ATOM 2533 CD LYS B 61 -19.131 6.038 -12.646 1.00 2.08 C ATOM 2534 CE LYS B 61 -19.580 5.208 -13.837 1.00 2.60 C ATOM 2535 NZ LYS B 61 -21.041 5.345 -14.093 1.00 3.16 N ATOM 0 H LYS B 61 -18.245 5.552 -10.128 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.810 3.087 -11.506 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.198 4.340 -12.011 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.463 3.876 -13.132 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -17.365 6.422 -11.487 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.074 6.282 -13.209 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -19.698 5.746 -11.762 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -19.348 7.090 -12.831 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -19.026 5.517 -14.724 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -19.340 4.160 -13.660 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -21.306 4.763 -14.913 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -21.571 5.027 -13.257 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -21.267 6.341 -14.288 1.00 3.16 H new ATOM 2549 N THR B 62 -16.012 3.430 -9.763 1.00 0.99 N ATOM 2550 CA THR B 62 -15.001 2.712 -9.011 1.00 0.96 C ATOM 2551 C THR B 62 -15.668 1.809 -7.981 1.00 0.87 C ATOM 2552 O THR B 62 -15.099 0.817 -7.540 1.00 0.84 O ATOM 2553 CB THR B 62 -14.034 3.681 -8.308 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.479 4.593 -9.263 1.00 1.13 O ATOM 2555 CG2 THR B 62 -12.916 2.923 -7.608 1.00 1.05 C ATOM 0 H THR B 62 -15.871 4.439 -9.806 1.00 0.99 H new ATOM 0 HA THR B 62 -14.424 2.106 -9.710 1.00 0.96 H new ATOM 0 HB THR B 62 -14.594 4.238 -7.556 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.082 5.357 -9.374 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.247 3.631 -7.119 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.343 2.253 -6.862 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.356 2.341 -8.341 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.890 2.176 -7.605 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.681 1.406 -6.661 1.00 0.83 C ATOM 2565 C LEU B 63 -17.645 -0.081 -7.004 1.00 0.80 C ATOM 2566 O LEU B 63 -17.041 -0.877 -6.289 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.117 1.929 -6.689 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.083 1.280 -5.705 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.118 2.291 -5.235 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.771 0.080 -6.342 1.00 1.41 C ATOM 0 H LEU B 63 -17.356 3.016 -7.948 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.265 1.520 -5.660 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.096 3.001 -6.494 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.512 1.796 -7.696 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.514 0.934 -4.842 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.801 1.813 -4.533 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.616 3.124 -4.743 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.680 2.662 -6.092 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.457 -0.370 -5.624 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.328 0.404 -7.221 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.022 -0.654 -6.637 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.283 -0.450 -8.107 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.314 -1.843 -8.536 1.00 0.81 C ATOM 2584 C ASP B 64 -16.904 -2.366 -8.816 1.00 0.81 C ATOM 2585 O ASP B 64 -16.676 -3.575 -8.844 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.183 -1.992 -9.785 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.205 -3.415 -10.308 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -18.316 -3.765 -11.113 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -20.109 -4.180 -9.913 1.00 1.96 O ATOM 0 H ASP B 64 -18.785 0.193 -8.719 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.743 -2.434 -7.727 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -20.201 -1.676 -9.556 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.811 -1.327 -10.564 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.960 -1.449 -9.022 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.577 -1.821 -9.307 1.00 0.87 C ATOM 2596 C VAL B 65 -13.809 -2.180 -8.037 1.00 0.77 C ATOM 2597 O VAL B 65 -13.377 -3.320 -7.861 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.835 -0.677 -10.028 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.399 -1.075 -10.338 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.572 -0.280 -11.298 1.00 1.07 C ATOM 0 H VAL B 65 -16.129 -0.443 -8.997 1.00 0.81 H new ATOM 0 HA VAL B 65 -14.620 -2.699 -9.952 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.809 0.187 -9.363 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.895 -0.253 -10.846 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.876 -1.302 -9.409 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.396 -1.955 -10.981 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.034 0.528 -11.793 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.633 -1.139 -11.967 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.578 0.055 -11.045 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.648 -1.200 -7.156 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.915 -1.387 -5.908 1.00 0.67 C ATOM 2612 C ASN B 66 -13.741 -2.061 -4.819 1.00 0.56 C ATOM 2613 O ASN B 66 -13.585 -1.724 -3.645 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.440 -0.035 -5.376 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.421 0.625 -6.284 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.447 0.446 -7.501 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.512 1.392 -5.692 1.00 1.10 N ATOM 0 H ASN B 66 -14.019 -0.259 -7.284 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.075 -2.040 -6.146 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.298 0.627 -5.258 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.004 -0.171 -4.386 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.798 1.860 -6.250 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.528 1.513 -4.679 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.608 -3.008 -5.163 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.381 -3.655 -4.120 1.00 0.68 C ATOM 2626 C GLN B 67 -14.501 -4.513 -3.261 1.00 0.61 C ATOM 2627 O GLN B 67 -14.521 -4.419 -2.045 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.533 -4.518 -4.630 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.421 -5.109 -6.008 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.369 -6.202 -6.147 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.579 -7.330 -5.705 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.249 -5.889 -6.800 1.00 1.44 N ATOM 0 H GLN B 67 -14.786 -3.331 -6.114 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.815 -2.834 -3.550 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -16.672 -5.338 -3.926 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.440 -3.915 -4.599 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.390 -5.518 -6.293 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.192 -4.311 -6.714 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.112 -4.942 -7.152 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.530 -6.597 -6.948 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.687 -5.306 -3.911 1.00 0.59 N ATOM 2642 CA ASP B 68 -12.824 -6.226 -3.236 1.00 0.62 C ATOM 2643 C ASP B 68 -11.568 -5.544 -2.738 1.00 0.59 C ATOM 2644 O ASP B 68 -10.627 -6.226 -2.340 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.492 -7.388 -4.161 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.615 -8.401 -4.247 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.370 -8.537 -3.262 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -13.746 -9.053 -5.304 1.00 1.58 O ATOM 0 H ASP B 68 -13.608 -5.327 -4.928 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.344 -6.612 -2.359 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.276 -7.004 -5.158 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.587 -7.883 -3.807 1.00 0.73 H new ATOM 2653 N SER B 69 -11.555 -4.188 -2.723 1.00 0.56 N ATOM 2654 CA SER B 69 -10.400 -3.429 -2.228 1.00 0.58 C ATOM 2655 C SER B 69 -9.839 -4.127 -1.001 1.00 0.62 C ATOM 2656 O SER B 69 -8.638 -4.127 -0.755 1.00 0.74 O ATOM 2657 CB SER B 69 -10.812 -1.993 -1.890 1.00 0.66 C ATOM 2658 OG SER B 69 -10.034 -1.470 -0.828 1.00 1.74 O ATOM 0 H SER B 69 -12.330 -3.609 -3.047 1.00 0.56 H new ATOM 0 HA SER B 69 -9.633 -3.385 -3.001 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.698 -1.363 -2.772 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.867 -1.970 -1.616 1.00 0.66 H new ATOM 0 HG SER B 69 -10.157 -0.499 -0.779 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.760 -4.726 -0.256 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.436 -5.547 0.890 1.00 0.76 C ATOM 2666 C GLU B 70 -10.802 -6.944 0.501 1.00 0.77 C ATOM 2667 O GLU B 70 -11.691 -7.148 -0.329 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.226 -5.167 2.137 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.617 -6.364 3.040 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.430 -7.048 3.690 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.282 -6.728 3.315 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -10.648 -7.905 4.571 1.00 2.73 O ATOM 0 H GLU B 70 -11.761 -4.651 -0.437 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.382 -5.422 1.140 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.637 -4.463 2.724 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.134 -4.647 1.832 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.295 -6.015 3.818 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.165 -7.094 2.444 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.140 -7.903 1.077 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.451 -9.234 0.748 1.00 0.83 C ATOM 2681 C LEU B 71 -10.284 -10.237 1.906 1.00 0.81 C ATOM 2682 O LEU B 71 -9.481 -10.044 2.807 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.567 -9.498 -0.433 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.316 -10.907 -0.766 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.442 -11.628 0.250 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.626 -11.556 -1.001 1.00 1.25 C ATOM 0 H LEU B 71 -9.396 -7.778 1.764 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.508 -9.372 0.521 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -10.010 -9.016 -1.304 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.607 -9.014 -0.255 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.720 -10.965 -1.677 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.300 -12.663 -0.062 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.474 -11.132 0.314 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.926 -11.606 1.227 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.472 -12.606 -1.251 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.235 -11.483 -0.100 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.136 -11.058 -1.825 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.110 -11.280 1.905 1.00 0.77 N ATOM 2699 CA ARG B 72 -11.003 -12.359 2.865 1.00 0.80 C ATOM 2700 C ARG B 72 -10.466 -13.602 2.136 1.00 0.69 C ATOM 2701 O ARG B 72 -9.743 -14.411 2.718 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.354 -12.655 3.497 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.225 -11.426 3.697 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.485 -10.311 4.418 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.744 -10.797 5.579 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.430 -10.042 6.628 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.775 -8.762 6.661 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -10.761 -10.567 7.646 1.00 1.42 N ATOM 0 H ARG B 72 -11.871 -11.395 1.235 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.322 -12.073 3.666 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.889 -13.368 2.870 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -12.195 -13.136 4.462 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.569 -11.065 2.728 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -14.112 -11.700 4.268 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.795 -9.829 3.725 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.199 -9.552 4.737 1.00 1.06 H new ATOM 0 HE ARG B 72 -11.450 -11.774 5.586 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.284 -8.351 5.879 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.531 -8.189 7.469 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -10.488 -11.549 7.624 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.520 -9.988 8.451 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.833 -13.743 0.843 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.339 -14.839 0.019 1.00 0.57 C ATOM 2724 C PHE B 73 -9.108 -14.457 -0.846 1.00 0.52 C ATOM 2725 O PHE B 73 -8.044 -14.205 -0.312 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.442 -15.500 -0.845 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.626 -14.668 -1.332 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.484 -13.485 -2.035 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -13.912 -15.112 -1.081 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.574 -12.771 -2.467 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -15.012 -14.400 -1.515 1.00 1.44 C ATOM 2732 CZ PHE B 73 -14.844 -13.229 -2.209 1.00 0.87 C ATOM 0 H PHE B 73 -11.468 -13.107 0.360 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.002 -15.586 0.738 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -10.957 -15.921 -1.726 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -11.845 -16.336 -0.273 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -11.492 -13.114 -2.249 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -14.058 -16.033 -0.535 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -13.433 -11.848 -3.010 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -16.007 -14.766 -1.308 1.00 1.44 H new ATOM 0 HZ PHE B 73 -15.703 -12.671 -2.550 1.00 0.87 H new ATOM 2742 N SER B 74 -9.254 -14.342 -2.164 1.00 0.48 N ATOM 2743 CA SER B 74 -8.069 -14.080 -3.035 1.00 0.48 C ATOM 2744 C SER B 74 -8.042 -12.724 -3.718 1.00 0.42 C ATOM 2745 O SER B 74 -7.065 -12.381 -4.385 1.00 0.46 O ATOM 2746 CB SER B 74 -7.922 -15.152 -4.111 1.00 0.63 C ATOM 2747 OG SER B 74 -9.185 -15.623 -4.547 1.00 1.03 O ATOM 0 H SER B 74 -10.143 -14.420 -2.657 1.00 0.48 H new ATOM 0 HA SER B 74 -7.235 -14.098 -2.333 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.371 -14.745 -4.959 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.337 -15.984 -3.720 1.00 0.63 H new ATOM 0 HG SER B 74 -9.059 -16.307 -5.237 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.085 -11.964 -3.563 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.160 -10.623 -4.157 1.00 0.42 C ATOM 2755 C GLU B 75 -8.254 -9.585 -3.451 1.00 0.42 C ATOM 2756 O GLU B 75 -8.438 -8.385 -3.639 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.595 -10.121 -4.069 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.647 -11.135 -4.457 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.480 -11.650 -5.872 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -10.731 -12.632 -6.062 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -12.096 -11.072 -6.792 1.00 1.41 O ATOM 0 H GLU B 75 -9.911 -12.234 -3.030 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.817 -10.721 -5.187 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.788 -9.791 -3.048 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.699 -9.247 -4.711 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.607 -11.975 -3.764 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.634 -10.684 -4.355 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.278 -10.036 -2.653 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.428 -9.130 -1.900 1.00 0.38 C ATOM 2770 C TYR B 76 -5.650 -8.220 -2.825 1.00 0.39 C ATOM 2771 O TYR B 76 -5.279 -7.104 -2.460 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.491 -9.903 -0.964 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.942 -9.961 0.475 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.727 -8.963 1.031 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.610 -11.047 1.268 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.167 -9.037 2.319 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.047 -11.130 2.574 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.829 -10.123 3.097 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.273 -10.200 4.397 1.00 0.54 O ATOM 0 H TYR B 76 -7.064 -11.024 -2.518 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.071 -8.504 -1.282 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.385 -10.921 -1.338 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.503 -9.445 -1.002 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.996 -8.107 0.430 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -5.001 -11.839 0.859 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.779 -8.247 2.729 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.778 -11.980 3.183 1.00 1.26 H new ATOM 0 HH TYR B 76 -8.253 -10.178 4.410 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.415 -8.698 -4.031 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.731 -7.893 -5.039 1.00 0.43 C ATOM 2791 C TRP B 77 -5.480 -6.579 -5.214 1.00 0.45 C ATOM 2792 O TRP B 77 -4.954 -5.625 -5.770 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.698 -8.638 -6.369 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.070 -8.896 -6.895 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.977 -7.957 -7.284 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.709 -10.165 -7.056 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.130 -8.563 -7.698 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.996 -9.921 -7.566 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.316 -11.484 -6.826 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.894 -10.948 -7.846 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.205 -12.503 -7.101 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.480 -12.231 -7.606 1.00 0.56 C ATOM 0 H TRP B 77 -5.683 -9.632 -4.341 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.708 -7.700 -4.716 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.133 -8.056 -7.097 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.174 -9.585 -6.242 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.810 -6.890 -7.268 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.958 -8.082 -8.049 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.332 -11.704 -6.439 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.879 -10.741 -8.237 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.911 -13.527 -6.923 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.153 -13.050 -7.811 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.737 -6.548 -4.774 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.525 -5.351 -4.862 1.00 0.47 C ATOM 2815 C ARG B 78 -6.997 -4.295 -3.901 1.00 0.49 C ATOM 2816 O ARG B 78 -7.125 -3.103 -4.163 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.993 -5.673 -4.611 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.626 -6.390 -5.783 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.918 -5.439 -6.932 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.473 -6.135 -8.090 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.543 -5.602 -9.305 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.094 -4.374 -9.520 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.061 -6.298 -10.307 1.00 2.83 N ATOM 0 H ARG B 78 -7.218 -7.344 -4.356 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.445 -4.939 -5.868 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.081 -6.292 -3.718 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.538 -4.750 -4.414 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.962 -7.183 -6.127 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.552 -6.867 -5.461 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.618 -4.673 -6.600 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.000 -4.928 -7.222 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.826 -7.083 -7.959 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -9.693 -3.836 -8.752 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.149 -3.967 -10.454 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.407 -7.244 -10.146 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -11.114 -5.888 -11.239 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.381 -4.735 -2.796 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.799 -3.800 -1.843 1.00 0.45 C ATOM 2839 C LEU B 79 -4.542 -3.201 -2.455 1.00 0.46 C ATOM 2840 O LEU B 79 -4.086 -2.131 -2.050 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.406 -4.466 -0.507 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.052 -5.809 -0.116 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -4.966 -6.802 0.278 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.000 -5.618 1.058 1.00 0.88 C ATOM 0 H LEU B 79 -6.277 -5.719 -2.548 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.556 -3.045 -1.631 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.326 -4.613 -0.519 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.622 -3.754 0.290 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.612 -6.189 -0.971 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.424 -7.752 0.554 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.291 -6.956 -0.564 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.405 -6.410 1.126 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.449 -6.575 1.323 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.447 -5.228 1.912 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.785 -4.914 0.781 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.987 -3.906 -3.438 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.775 -3.481 -4.104 1.00 0.48 C ATOM 2858 C ILE B 80 -2.809 -1.976 -4.427 1.00 0.48 C ATOM 2859 O ILE B 80 -1.907 -1.234 -4.041 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.521 -4.351 -5.373 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.021 -4.477 -5.622 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.209 -3.783 -6.613 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.678 -5.274 -6.860 1.00 1.16 C ATOM 0 H ILE B 80 -4.369 -4.784 -3.789 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.935 -3.633 -3.426 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.951 -5.335 -5.186 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.591 -3.479 -5.712 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.556 -4.948 -4.756 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.002 -4.424 -7.470 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.285 -3.739 -6.444 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.832 -2.780 -6.811 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.405 -5.322 -6.973 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.078 -6.284 -6.765 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.114 -4.792 -7.735 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.852 -1.536 -5.128 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.981 -0.130 -5.470 1.00 0.49 C ATOM 2877 C GLY B 81 -4.603 0.705 -4.358 1.00 0.43 C ATOM 2878 O GLY B 81 -4.737 1.921 -4.495 1.00 0.43 O ATOM 0 H GLY B 81 -4.610 -2.129 -5.465 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.996 0.271 -5.708 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.590 -0.036 -6.369 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.987 0.058 -3.258 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.618 0.751 -2.144 1.00 0.39 C ATOM 2884 C GLU B 82 -4.596 1.429 -1.260 1.00 0.33 C ATOM 2885 O GLU B 82 -4.569 2.650 -1.145 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.404 -0.235 -1.323 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.533 -0.891 -2.091 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.610 0.095 -2.502 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.250 0.682 -1.606 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.808 0.284 -3.720 1.00 1.39 O ATOM 0 H GLU B 82 -4.870 -0.946 -3.118 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.277 1.517 -2.554 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.730 -1.007 -0.952 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.815 0.275 -0.452 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.129 -1.374 -2.981 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -7.978 -1.674 -1.477 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.731 0.628 -0.645 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.700 1.161 0.231 1.00 0.35 C ATOM 2899 C LEU B 83 -1.992 2.307 -0.455 1.00 0.34 C ATOM 2900 O LEU B 83 -1.448 3.202 0.193 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.688 0.081 0.599 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.094 -0.819 1.764 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.325 -2.130 1.714 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.852 -0.108 3.087 1.00 1.31 C ATOM 0 H LEU B 83 -3.725 -0.388 -0.738 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.175 1.516 1.146 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.511 -0.543 -0.277 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.741 0.561 0.844 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.158 -1.041 1.680 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.626 -2.760 2.551 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.541 -2.643 0.777 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.256 -1.927 1.778 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.145 -0.760 3.910 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.794 0.139 3.179 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.443 0.807 3.121 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.009 2.269 -1.779 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.374 3.314 -2.552 1.00 0.37 C ATOM 2918 C ALA B 84 -2.231 4.572 -2.621 1.00 0.41 C ATOM 2919 O ALA B 84 -1.704 5.681 -2.664 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.052 2.823 -3.943 1.00 0.41 C ATOM 0 H ALA B 84 -2.451 1.534 -2.331 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.446 3.575 -2.043 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.575 3.623 -4.510 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.377 1.970 -3.880 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -1.972 2.522 -4.444 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.555 4.404 -2.640 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.470 5.550 -2.681 1.00 0.51 C ATOM 2928 C LYS B 85 -4.036 6.610 -1.684 1.00 0.50 C ATOM 2929 O LYS B 85 -4.266 7.804 -1.873 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.907 5.096 -2.386 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.171 4.823 -0.912 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.158 3.683 -0.714 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.450 3.937 -1.461 1.00 1.56 C ATOM 2934 NZ LYS B 85 -9.582 3.151 -0.896 1.00 2.69 N ATOM 0 H LYS B 85 -4.016 3.494 -2.628 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.440 5.982 -3.681 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -6.600 5.862 -2.734 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.118 4.192 -2.957 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -5.232 4.581 -0.414 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.559 5.725 -0.440 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -6.713 2.750 -1.060 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.368 3.561 0.349 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.690 5.000 -1.421 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.318 3.680 -2.512 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -10.475 3.655 -1.070 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -9.617 2.216 -1.351 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.445 3.032 0.128 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.405 6.147 -0.626 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.911 7.016 0.414 1.00 0.45 C ATOM 2950 C GLU B 86 -1.571 7.603 0.007 1.00 0.44 C ATOM 2951 O GLU B 86 -1.294 8.782 0.226 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.763 6.232 1.709 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.899 5.260 1.951 1.00 0.98 C ATOM 2954 CD GLU B 86 -5.223 5.957 2.175 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.226 7.016 2.825 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -6.256 5.440 1.701 1.00 2.90 O ATOM 0 H GLU B 86 -3.221 5.157 -0.465 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.620 7.830 0.567 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.822 5.683 1.688 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.706 6.930 2.544 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.986 4.589 1.097 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.666 4.643 2.819 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.744 6.753 -0.589 1.00 0.44 N ATOM 2964 CA VAL B 87 0.578 7.149 -1.035 1.00 0.46 C ATOM 2965 C VAL B 87 0.528 7.912 -2.369 1.00 0.46 C ATOM 2966 O VAL B 87 1.533 8.473 -2.806 1.00 0.54 O ATOM 2967 CB VAL B 87 1.508 5.918 -1.167 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.795 6.276 -1.898 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.812 5.345 0.209 1.00 0.81 C ATOM 0 H VAL B 87 -0.973 5.776 -0.774 1.00 0.44 H new ATOM 0 HA VAL B 87 0.981 7.821 -0.277 1.00 0.46 H new ATOM 0 HB VAL B 87 0.993 5.161 -1.758 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.428 5.392 -1.975 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.557 6.640 -2.897 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.323 7.053 -1.345 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.467 4.480 0.106 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.305 6.103 0.818 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.882 5.041 0.690 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.638 7.937 -3.007 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.792 8.606 -4.296 1.00 0.51 C ATOM 2981 C ARG B 88 -0.701 10.121 -4.169 1.00 0.50 C ATOM 2982 O ARG B 88 0.097 10.755 -4.856 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.122 8.196 -4.933 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.198 8.452 -6.432 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.234 9.939 -6.750 1.00 1.33 C ATOM 2986 NE ARG B 88 -2.520 10.190 -8.160 1.00 1.83 N ATOM 2987 CZ ARG B 88 -2.446 11.393 -8.723 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -2.097 12.446 -7.997 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -2.720 11.543 -10.012 1.00 3.50 N ATOM 0 H ARG B 88 -1.490 7.502 -2.653 1.00 0.49 H new ATOM 0 HA ARG B 88 0.030 8.292 -4.939 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.290 7.135 -4.747 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.930 8.737 -4.441 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.338 7.996 -6.923 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -3.088 7.972 -6.838 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.992 10.423 -6.134 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -1.276 10.389 -6.489 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.791 9.400 -8.745 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -1.885 12.334 -7.006 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -2.041 13.368 -8.430 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -2.988 10.735 -10.574 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -2.663 12.466 -10.441 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.510 10.704 -3.298 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.490 12.150 -3.112 1.00 0.49 C ATOM 3005 C LYS B 89 -0.342 12.533 -2.213 1.00 0.48 C ATOM 3006 O LYS B 89 0.268 13.592 -2.359 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.786 12.646 -2.491 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.190 11.899 -1.216 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.105 10.676 -1.438 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.603 10.469 -2.879 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.541 11.533 -3.328 1.00 3.29 N ATOM 0 H LYS B 89 -2.182 10.207 -2.714 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.373 12.610 -4.093 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.685 13.707 -2.262 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.587 12.553 -3.224 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.286 11.569 -0.704 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.697 12.597 -0.549 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.566 9.781 -1.127 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.972 10.770 -0.783 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.747 10.439 -3.553 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -5.099 9.501 -2.951 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -6.467 11.111 -3.545 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.651 12.240 -2.573 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.162 11.993 -4.180 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.064 11.651 -1.276 1.00 0.47 N ATOM 3026 CA GLU B 90 1.005 11.849 -0.335 1.00 0.52 C ATOM 3027 C GLU B 90 2.329 12.031 -1.064 1.00 0.56 C ATOM 3028 O GLU B 90 3.295 12.542 -0.496 1.00 0.62 O ATOM 3029 CB GLU B 90 1.035 10.664 0.609 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.047 10.747 1.663 1.00 0.62 C ATOM 3031 CD GLU B 90 0.198 11.876 2.646 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.875 11.638 3.668 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.287 12.999 2.393 1.00 1.93 O ATOM 0 H GLU B 90 -0.576 10.778 -1.150 1.00 0.47 H new ATOM 0 HA GLU B 90 0.839 12.757 0.244 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.914 9.743 0.038 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.010 10.612 1.094 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.013 10.892 1.179 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.099 9.802 2.203 1.00 0.62 H new ATOM 3040 N LYS B 91 2.369 11.609 -2.327 1.00 0.54 N ATOM 3041 CA LYS B 91 3.563 11.765 -3.135 1.00 0.61 C ATOM 3042 C LYS B 91 3.969 13.231 -3.166 1.00 0.63 C ATOM 3043 O LYS B 91 5.130 13.577 -2.947 1.00 0.70 O ATOM 3044 CB LYS B 91 3.326 11.245 -4.554 1.00 0.62 C ATOM 3045 CG LYS B 91 2.483 12.165 -5.424 1.00 0.61 C ATOM 3046 CD LYS B 91 2.195 11.536 -6.778 1.00 0.67 C ATOM 3047 CE LYS B 91 1.313 12.432 -7.631 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.043 11.836 -8.968 1.00 1.38 N ATOM 0 H LYS B 91 1.589 11.159 -2.805 1.00 0.54 H new ATOM 0 HA LYS B 91 4.369 11.180 -2.692 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.290 11.090 -5.038 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.838 10.272 -4.495 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.544 12.388 -4.917 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.003 13.113 -5.564 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.133 11.345 -7.299 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.707 10.572 -6.636 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.369 12.609 -7.115 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.794 13.402 -7.757 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 0.438 12.478 -9.519 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.942 11.690 -9.471 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.560 10.922 -8.850 1.00 1.38 H new ATOM 3062 N ALA B 92 2.992 14.085 -3.444 1.00 0.60 N ATOM 3063 CA ALA B 92 3.223 15.525 -3.507 1.00 0.65 C ATOM 3064 C ALA B 92 3.219 16.170 -2.125 1.00 0.63 C ATOM 3065 O ALA B 92 3.765 17.256 -1.948 1.00 0.69 O ATOM 3066 CB ALA B 92 2.191 16.188 -4.406 1.00 0.73 C ATOM 0 H ALA B 92 2.029 13.805 -3.630 1.00 0.60 H new ATOM 0 HA ALA B 92 4.216 15.676 -3.931 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.376 17.261 -4.443 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.264 15.773 -5.411 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.192 16.006 -4.009 1.00 0.73 H new ATOM 3072 N LEU B 93 2.575 15.534 -1.154 1.00 0.62 N ATOM 3073 CA LEU B 93 2.543 16.087 0.195 1.00 0.65 C ATOM 3074 C LEU B 93 3.812 15.740 0.958 1.00 0.59 C ATOM 3075 O LEU B 93 4.265 16.507 1.807 1.00 0.63 O ATOM 3076 CB LEU B 93 1.329 15.600 0.975 1.00 0.74 C ATOM 3077 CG LEU B 93 1.133 16.304 2.316 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.345 16.506 2.606 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.796 15.515 3.435 1.00 0.95 C ATOM 0 H LEU B 93 2.077 14.652 -1.270 1.00 0.62 H new ATOM 0 HA LEU B 93 2.474 17.170 0.091 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.436 15.744 0.366 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.427 14.528 1.149 1.00 0.74 H new ATOM 0 HG LEU B 93 1.606 17.284 2.260 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.462 17.009 3.566 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.790 17.116 1.820 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.845 15.538 2.641 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.646 16.032 4.383 1.00 0.95 H new ATOM 0 HD22 LEU B 93 1.354 14.520 3.490 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.864 15.427 3.235 1.00 0.95 H new ATOM 3091 N GLY B 94 4.379 14.574 0.652 1.00 0.53 N ATOM 3092 CA GLY B 94 5.596 14.130 1.315 1.00 0.51 C ATOM 3093 C GLY B 94 6.593 15.245 1.524 1.00 0.52 C ATOM 3094 O GLY B 94 7.269 15.298 2.550 1.00 0.57 O ATOM 0 H GLY B 94 4.015 13.926 -0.047 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.339 13.694 2.280 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.060 13.342 0.722 1.00 0.51 H new ATOM 3098 N ILE B 95 6.698 16.118 0.526 1.00 0.53 N ATOM 3099 CA ILE B 95 7.624 17.231 0.579 1.00 0.57 C ATOM 3100 C ILE B 95 7.284 18.197 1.692 1.00 0.60 C ATOM 3101 O ILE B 95 6.848 19.323 1.447 1.00 0.67 O ATOM 3102 CB ILE B 95 7.684 17.989 -0.755 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.282 18.318 -1.254 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.432 17.168 -1.776 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.246 19.446 -2.262 1.00 1.68 C ATOM 0 H ILE B 95 6.147 16.070 -0.331 1.00 0.53 H new ATOM 0 HA ILE B 95 8.604 16.798 0.780 1.00 0.57 H new ATOM 0 HB ILE B 95 8.214 18.929 -0.600 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.847 17.426 -1.704 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.655 18.583 -0.402 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.472 17.710 -2.721 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.446 16.982 -1.421 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.920 16.217 -1.925 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.216 19.624 -2.572 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.651 20.351 -1.809 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.845 19.176 -3.132 1.00 1.68 H new ATOM 3117 N ARG B 96 7.481 17.744 2.918 1.00 0.64 N ATOM 3118 CA ARG B 96 7.237 18.583 4.071 1.00 0.74 C ATOM 3119 C ARG B 96 8.212 19.754 4.030 1.00 0.82 C ATOM 3120 O ARG B 96 8.005 20.776 4.684 1.00 0.93 O ATOM 3121 CB ARG B 96 7.393 17.781 5.364 1.00 0.84 C ATOM 3122 CG ARG B 96 8.815 17.325 5.633 1.00 1.65 C ATOM 3123 CD ARG B 96 9.566 18.332 6.485 1.00 2.45 C ATOM 3124 NE ARG B 96 10.989 18.021 6.569 1.00 2.91 N ATOM 3125 CZ ARG B 96 11.823 18.617 7.415 1.00 3.85 C ATOM 3126 NH1 ARG B 96 11.373 19.544 8.249 1.00 4.47 N ATOM 3127 NH2 ARG B 96 13.106 18.284 7.428 1.00 4.48 N ATOM 0 H ARG B 96 7.808 16.803 3.137 1.00 0.64 H new ATOM 0 HA ARG B 96 6.215 18.960 4.047 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.052 18.389 6.202 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.743 16.907 5.319 1.00 0.84 H new ATOM 0 HG2 ARG B 96 8.800 16.359 6.137 1.00 1.65 H new ATOM 0 HG3 ARG B 96 9.339 17.183 4.688 1.00 1.65 H new ATOM 0 HD2 ARG B 96 9.437 19.330 6.066 1.00 2.45 H new ATOM 0 HD3 ARG B 96 9.139 18.350 7.488 1.00 2.45 H new ATOM 0 HE ARG B 96 11.364 17.307 5.944 1.00 2.91 H new ATOM 0 HH11 ARG B 96 10.386 19.800 8.242 1.00 4.47 H new ATOM 0 HH12 ARG B 96 12.014 20.001 8.898 1.00 4.47 H new ATOM 0 HH21 ARG B 96 13.454 17.570 6.788 1.00 4.48 H new ATOM 0 HH22 ARG B 96 13.745 18.742 8.078 1.00 4.48 H new ATOM 3141 N LYS B 97 9.284 19.589 3.244 1.00 0.82 N ATOM 3142 CA LYS B 97 10.278 20.627 3.083 1.00 0.94 C ATOM 3143 C LYS B 97 9.837 21.562 1.968 1.00 0.93 C ATOM 3144 O LYS B 97 10.269 21.430 0.823 1.00 0.98 O ATOM 3145 CB LYS B 97 11.644 20.020 2.745 1.00 1.07 C ATOM 3146 CG LYS B 97 11.912 18.667 3.395 1.00 1.00 C ATOM 3147 CD LYS B 97 13.169 18.034 2.838 1.00 1.56 C ATOM 3148 CE LYS B 97 12.890 17.320 1.526 1.00 1.83 C ATOM 3149 NZ LYS B 97 12.887 18.263 0.372 1.00 2.90 N ATOM 0 H LYS B 97 9.474 18.739 2.713 1.00 0.82 H new ATOM 0 HA LYS B 97 10.373 21.180 4.017 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.722 19.911 1.663 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.424 20.717 3.052 1.00 1.07 H new ATOM 0 HG2 LYS B 97 12.011 18.791 4.473 1.00 1.00 H new ATOM 0 HG3 LYS B 97 11.063 18.005 3.227 1.00 1.00 H new ATOM 0 HD2 LYS B 97 13.928 18.801 2.683 1.00 1.56 H new ATOM 0 HD3 LYS B 97 13.574 17.326 3.561 1.00 1.56 H new ATOM 0 HE2 LYS B 97 13.644 16.550 1.364 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.926 16.815 1.585 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 13.356 17.817 -0.442 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.906 18.499 0.119 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 13.397 19.132 0.632 1.00 2.90 H new ATOM 3163 N LYS B 98 8.966 22.503 2.308 1.00 0.96 N ATOM 3164 CA LYS B 98 8.451 23.453 1.333 1.00 1.06 C ATOM 3165 C LYS B 98 8.980 24.857 1.604 1.00 1.21 C ATOM 3166 O LYS B 98 10.053 25.198 1.064 1.00 1.61 O ATOM 3167 CB LYS B 98 6.920 23.451 1.356 1.00 1.07 C ATOM 3168 CG LYS B 98 6.309 22.056 1.402 1.00 1.07 C ATOM 3169 CD LYS B 98 4.806 22.099 1.177 1.00 1.52 C ATOM 3170 CE LYS B 98 4.233 20.705 0.978 1.00 2.00 C ATOM 3171 NZ LYS B 98 4.319 19.886 2.218 1.00 2.73 N ATOM 3172 OXT LYS B 98 8.315 25.604 2.352 1.00 1.70 O ATOM 0 H LYS B 98 8.602 22.628 3.252 1.00 0.96 H new ATOM 0 HA LYS B 98 8.794 23.147 0.344 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.578 24.016 2.223 1.00 1.07 H new ATOM 0 HB3 LYS B 98 6.552 23.970 0.471 1.00 1.07 H new ATOM 0 HG2 LYS B 98 6.774 21.429 0.642 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.521 21.597 2.368 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.323 22.574 2.031 1.00 1.52 H new ATOM 0 HD3 LYS B 98 4.585 22.713 0.304 1.00 1.52 H new ATOM 0 HE2 LYS B 98 3.192 20.782 0.666 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.771 20.203 0.174 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 3.595 19.140 2.192 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 5.262 19.452 2.282 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 4.160 20.494 3.047 1.00 2.73 H new TER 3186 LYS B 98