USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1195 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 104 GLN : amide:sc= -0.991 K(o=-1.8,f=-0.3) USER MOD Set 1.2: A 152 ASN : amide:sc= -0.762 K(o=-1.8,f=-0.3) USER MOD Set 2.1: A 27 THR OG1 : rot 34:sc= -0.403 USER MOD Set 2.2: A 71 MET CE :methyl 129:sc= -0.917 (180deg=-0.716) USER MOD Set 3.1: A 30 CYS SG : rot -130:sc= -0.825 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.578 K(o=-1.4,f=-4.5!) USER MOD Set 4.1: A 44 TYR OH : rot -61:sc= 1.18 USER MOD Set 4.2: A 93 THR OG1 : rot -73:sc= 0.125 USER MOD Set 4.3: A 115 ASN : amide:sc= -3.21! K(o=-1.9!,f=2.2) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.19) USER MOD Single : A 5 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.93) USER MOD Single : A 7 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 8 ASN : amide:sc= -0.847 K(o=-0.85,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0394 K(o=-0.039,f=-14!) USER MOD Single : A 16 SER OG : rot 109:sc= 1.24 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.27! C(o=-4.3!,f=-4.8!) USER MOD Single : A 23 GLN : amide:sc= -2.98! K(o=-3!,f=-0.43) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 155:sc= -1.78! USER MOD Single : A 50 SER OG : rot 180:sc=-2.2e-05 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.572 K(o=-0.57,f=-3.6) USER MOD Single : A 59 SER OG : rot 41:sc= 0.0488 USER MOD Single : A 75 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.015) USER MOD Single : A 80 ASN : amide:sc= -0.147 K(o=-0.15,f=-4.1!) USER MOD Single : A 98 THR OG1 : rot 167:sc= 1.26 USER MOD Single : A 99 CYS SG : rot 115:sc= -2.53! USER MOD Single : A 100 THR OG1 : rot 160:sc= 1.2 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.0227 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.915 K(o=-0.91,f=-2.9!) USER MOD Single : A 117 TYR OH : rot -161:sc= -4.44! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.046) USER MOD Single : A 129 LYS NZ :NH3+ -139:sc= 0.705 (180deg=-0.586!) USER MOD Single : A 133 SER OG : rot -6:sc= 1.58 USER MOD Single : A 134 LYS NZ :NH3+ -161:sc= -0.0431 (180deg=-0.394) USER MOD Single : A 136 GLN : amide:sc= -1.92! C(o=-1.9!,f=-2!) USER MOD Single : A 138 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 142 SER OG : rot -38:sc= 0.0182 USER MOD Single : A 143 ASN : amide:sc= -0.624 K(o=-0.62,f=-0.034) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -19.732 -0.205 6.701 1.00 0.91 N ATOM 19 CA ALA A 2 -21.089 -0.182 6.197 1.00 0.66 C ATOM 20 C ALA A 2 -21.230 -1.090 4.979 1.00 0.57 C ATOM 21 O ALA A 2 -21.781 -2.179 5.071 1.00 0.68 O ATOM 22 CB ALA A 2 -21.501 1.246 5.869 1.00 1.48 C ATOM 0 HA ALA A 2 -21.756 -0.562 6.971 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -22.523 1.252 5.491 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -21.444 1.857 6.770 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -20.831 1.653 5.111 1.00 1.48 H new ATOM 28 N LYS A 3 -20.698 -0.651 3.843 1.00 0.46 N ATOM 29 CA LYS A 3 -20.851 -1.400 2.599 1.00 0.45 C ATOM 30 C LYS A 3 -19.654 -2.307 2.324 1.00 0.35 C ATOM 31 O LYS A 3 -19.798 -3.338 1.681 1.00 0.36 O ATOM 32 CB LYS A 3 -21.082 -0.456 1.411 1.00 0.54 C ATOM 33 CG LYS A 3 -22.425 0.262 1.449 1.00 0.82 C ATOM 34 CD LYS A 3 -22.418 1.426 2.426 1.00 0.81 C ATOM 35 CE LYS A 3 -23.752 1.571 3.138 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.877 1.819 2.196 1.00 0.98 N ATOM 0 H LYS A 3 -20.161 0.212 3.757 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.729 -2.035 2.720 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.284 0.286 1.388 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.012 -1.028 0.486 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.670 0.627 0.451 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.206 -0.444 1.731 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.627 1.279 3.162 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.189 2.348 1.892 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.955 0.666 3.711 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.692 2.393 3.851 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.771 1.860 2.726 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.725 2.722 1.704 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -24.923 1.048 1.499 1.00 0.98 H new ATOM 50 N VAL A 4 -18.481 -1.934 2.821 1.00 0.32 N ATOM 51 CA VAL A 4 -17.267 -2.707 2.585 1.00 0.29 C ATOM 52 C VAL A 4 -16.472 -2.850 3.875 1.00 0.33 C ATOM 53 O VAL A 4 -16.471 -1.948 4.721 1.00 0.45 O ATOM 54 CB VAL A 4 -16.387 -2.065 1.474 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.908 -2.378 1.663 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.836 -2.551 0.107 1.00 0.27 C ATOM 0 H VAL A 4 -18.344 -1.099 3.391 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.565 -3.697 2.240 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.513 -0.985 1.545 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.332 -1.910 0.865 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.574 -1.991 2.626 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.758 -3.457 1.634 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.214 -2.096 -0.663 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.740 -3.636 0.057 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.877 -2.271 -0.055 1.00 0.27 H new ATOM 66 N GLN A 5 -15.849 -4.006 4.044 1.00 0.30 N ATOM 67 CA GLN A 5 -14.982 -4.255 5.178 1.00 0.34 C ATOM 68 C GLN A 5 -13.860 -5.206 4.779 1.00 0.31 C ATOM 69 O GLN A 5 -14.102 -6.376 4.480 1.00 0.32 O ATOM 70 CB GLN A 5 -15.798 -4.837 6.335 1.00 0.41 C ATOM 71 CG GLN A 5 -14.992 -5.099 7.595 1.00 0.72 C ATOM 72 CD GLN A 5 -14.249 -3.872 8.097 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.677 -2.735 7.885 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.132 -4.093 8.770 1.00 1.39 N ATOM 0 H GLN A 5 -15.932 -4.793 3.400 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.536 -3.315 5.504 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.611 -4.151 6.573 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.255 -5.771 6.009 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.660 -5.457 8.378 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.274 -5.896 7.400 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.810 -5.049 8.925 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.592 -3.308 9.134 1.00 1.39 H new ATOM 83 N VAL A 6 -12.638 -4.693 4.741 1.00 0.32 N ATOM 84 CA VAL A 6 -11.484 -5.520 4.426 1.00 0.34 C ATOM 85 C VAL A 6 -11.168 -6.424 5.606 1.00 0.38 C ATOM 86 O VAL A 6 -10.992 -5.954 6.730 1.00 0.60 O ATOM 87 CB VAL A 6 -10.236 -4.679 4.079 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.056 -5.585 3.752 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.523 -3.737 2.916 1.00 1.32 C ATOM 0 H VAL A 6 -12.422 -3.713 4.924 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.738 -6.113 3.547 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.980 -4.076 4.950 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.185 -4.975 3.510 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.831 -6.214 4.613 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.307 -6.215 2.898 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.629 -3.155 2.690 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.809 -4.318 2.039 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.336 -3.063 3.186 1.00 1.32 H new ATOM 99 N ASN A 7 -11.111 -7.717 5.355 1.00 0.32 N ATOM 100 CA ASN A 7 -10.882 -8.683 6.418 1.00 0.36 C ATOM 101 C ASN A 7 -9.520 -9.336 6.265 1.00 0.37 C ATOM 102 O ASN A 7 -8.664 -9.223 7.142 1.00 0.46 O ATOM 103 CB ASN A 7 -11.987 -9.743 6.420 1.00 0.37 C ATOM 104 CG ASN A 7 -13.321 -9.185 6.891 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.370 -8.311 7.757 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.408 -9.672 6.310 1.00 0.53 N ATOM 0 H ASN A 7 -11.220 -8.125 4.427 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.903 -8.156 7.372 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.100 -10.149 5.415 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.693 -10.570 7.066 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.329 -9.323 6.576 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -14.324 -10.396 5.596 1.00 0.53 H new ATOM 113 N ASN A 8 -9.314 -10.001 5.142 1.00 0.33 N ATOM 114 CA ASN A 8 -8.070 -10.707 4.898 1.00 0.39 C ATOM 115 C ASN A 8 -7.194 -9.893 3.961 1.00 0.39 C ATOM 116 O ASN A 8 -7.638 -9.482 2.895 1.00 0.48 O ATOM 117 CB ASN A 8 -8.345 -12.092 4.301 1.00 0.44 C ATOM 118 CG ASN A 8 -7.084 -12.922 4.110 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.995 -13.717 3.179 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.121 -12.780 5.008 1.00 1.47 N ATOM 0 H ASN A 8 -9.993 -10.067 4.384 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.549 -10.842 5.846 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -9.032 -12.632 4.952 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.844 -11.974 3.339 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.272 -13.341 4.938 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.228 -12.109 5.769 1.00 1.47 H new ATOM 127 N VAL A 9 -5.966 -9.639 4.367 1.00 0.42 N ATOM 128 CA VAL A 9 -5.034 -8.920 3.519 1.00 0.45 C ATOM 129 C VAL A 9 -3.640 -9.535 3.632 1.00 0.50 C ATOM 130 O VAL A 9 -2.961 -9.416 4.652 1.00 0.60 O ATOM 131 CB VAL A 9 -5.016 -7.404 3.841 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.686 -7.138 5.304 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.050 -6.674 2.922 1.00 1.01 C ATOM 0 H VAL A 9 -5.591 -9.918 5.274 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.370 -9.015 2.486 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.020 -7.018 3.664 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.684 -6.063 5.487 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.435 -7.612 5.938 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.703 -7.547 5.535 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.051 -5.611 3.163 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.046 -7.076 3.057 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.359 -6.811 1.886 1.00 1.01 H new ATOM 143 N VAL A 10 -3.243 -10.242 2.589 1.00 0.52 N ATOM 144 CA VAL A 10 -1.971 -10.931 2.571 1.00 0.61 C ATOM 145 C VAL A 10 -0.946 -10.139 1.769 1.00 0.47 C ATOM 146 O VAL A 10 -1.253 -9.619 0.700 1.00 0.48 O ATOM 147 CB VAL A 10 -2.125 -12.342 1.963 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.807 -13.091 2.003 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.206 -13.128 2.689 1.00 1.24 C ATOM 0 H VAL A 10 -3.792 -10.353 1.736 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.624 -11.024 3.600 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.425 -12.230 0.921 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -0.939 -14.082 1.570 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.059 -12.542 1.432 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.475 -13.188 3.037 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.297 -14.119 2.244 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.940 -13.226 3.741 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.157 -12.603 2.603 1.00 1.24 H new ATOM 159 N VAL A 11 0.262 -10.036 2.292 1.00 0.44 N ATOM 160 CA VAL A 11 1.338 -9.374 1.578 1.00 0.39 C ATOM 161 C VAL A 11 2.247 -10.420 0.953 1.00 0.41 C ATOM 162 O VAL A 11 2.963 -11.130 1.661 1.00 0.52 O ATOM 163 CB VAL A 11 2.169 -8.470 2.507 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.239 -7.735 1.716 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.270 -7.488 3.238 1.00 0.91 C ATOM 0 H VAL A 11 0.522 -10.402 3.208 1.00 0.44 H new ATOM 0 HA VAL A 11 0.892 -8.746 0.807 1.00 0.39 H new ATOM 0 HB VAL A 11 2.663 -9.097 3.249 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.817 -7.101 2.388 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.901 -8.458 1.241 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.767 -7.118 0.951 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.874 -6.857 3.890 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.747 -6.864 2.513 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.543 -8.037 3.836 1.00 0.91 H new ATOM 175 N LEU A 12 2.217 -10.513 -0.366 1.00 0.40 N ATOM 176 CA LEU A 12 2.963 -11.548 -1.061 1.00 0.45 C ATOM 177 C LEU A 12 4.244 -10.986 -1.651 1.00 0.57 C ATOM 178 O LEU A 12 4.358 -9.781 -1.891 1.00 1.18 O ATOM 179 CB LEU A 12 2.128 -12.199 -2.172 1.00 0.50 C ATOM 180 CG LEU A 12 0.831 -12.885 -1.728 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.284 -11.869 -1.545 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.417 -13.944 -2.736 1.00 1.16 C ATOM 0 H LEU A 12 1.687 -9.888 -0.974 1.00 0.40 H new ATOM 0 HA LEU A 12 3.211 -12.312 -0.325 1.00 0.45 H new ATOM 0 HB2 LEU A 12 1.877 -11.433 -2.906 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.749 -12.936 -2.681 1.00 0.50 H new ATOM 0 HG LEU A 12 1.016 -13.368 -0.768 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.194 -12.380 -1.230 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.006 -11.143 -0.785 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.465 -11.354 -2.488 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.506 -14.421 -2.405 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.256 -13.478 -3.708 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.203 -14.694 -2.819 1.00 1.16 H new ATOM 194 N ASP A 13 5.215 -11.879 -1.828 1.00 0.84 N ATOM 195 CA ASP A 13 6.506 -11.575 -2.451 1.00 1.01 C ATOM 196 C ASP A 13 7.396 -10.851 -1.452 1.00 0.85 C ATOM 197 O ASP A 13 8.522 -10.464 -1.742 1.00 1.01 O ATOM 198 CB ASP A 13 6.332 -10.756 -3.736 1.00 1.29 C ATOM 199 CG ASP A 13 7.532 -10.856 -4.652 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.634 -11.839 -5.410 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.383 -9.941 -4.610 1.00 2.57 O ATOM 0 H ASP A 13 5.127 -12.853 -1.538 1.00 0.84 H new ATOM 0 HA ASP A 13 6.984 -12.512 -2.736 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.444 -11.101 -4.266 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.162 -9.711 -3.477 1.00 1.29 H new ATOM 206 N ASN A 14 6.866 -10.683 -0.259 1.00 0.68 N ATOM 207 CA ASN A 14 7.589 -10.080 0.845 1.00 0.63 C ATOM 208 C ASN A 14 8.399 -11.139 1.594 1.00 0.57 C ATOM 209 O ASN A 14 7.871 -12.208 1.899 1.00 0.67 O ATOM 210 CB ASN A 14 6.574 -9.441 1.792 1.00 0.78 C ATOM 211 CG ASN A 14 7.208 -8.744 2.971 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.270 -8.131 2.851 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.561 -8.841 4.116 1.00 1.40 N ATOM 0 H ASN A 14 5.914 -10.963 -0.024 1.00 0.68 H new ATOM 0 HA ASN A 14 8.279 -9.327 0.465 1.00 0.63 H new ATOM 0 HB2 ASN A 14 5.972 -8.723 1.236 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.895 -10.211 2.157 1.00 0.78 H new ATOM 0 HD21 ASN A 14 6.937 -8.397 4.954 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.684 -9.360 4.164 1.00 1.40 H new ATOM 220 N PRO A 15 9.690 -10.882 1.895 1.00 0.51 N ATOM 221 CA PRO A 15 10.439 -9.706 1.451 1.00 0.45 C ATOM 222 C PRO A 15 11.263 -9.958 0.185 1.00 0.44 C ATOM 223 O PRO A 15 11.713 -11.075 -0.064 1.00 0.48 O ATOM 224 CB PRO A 15 11.388 -9.441 2.630 1.00 0.48 C ATOM 225 CG PRO A 15 11.272 -10.634 3.540 1.00 0.57 C ATOM 226 CD PRO A 15 10.526 -11.693 2.772 1.00 0.60 C ATOM 0 HA PRO A 15 9.772 -8.882 1.198 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.414 -9.315 2.283 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.113 -8.525 3.153 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.258 -10.993 3.836 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.740 -10.373 4.455 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.198 -12.343 2.212 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.934 -12.333 3.426 1.00 0.60 H new ATOM 234 N SER A 16 11.473 -8.903 -0.593 1.00 0.42 N ATOM 235 CA SER A 16 12.230 -8.990 -1.842 1.00 0.47 C ATOM 236 C SER A 16 12.844 -7.637 -2.172 1.00 0.45 C ATOM 237 O SER A 16 12.439 -6.628 -1.599 1.00 0.43 O ATOM 238 CB SER A 16 11.331 -9.445 -2.997 1.00 0.59 C ATOM 239 OG SER A 16 10.889 -10.777 -2.811 1.00 0.77 O ATOM 0 H SER A 16 11.127 -7.967 -0.380 1.00 0.42 H new ATOM 0 HA SER A 16 13.022 -9.727 -1.710 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.470 -8.781 -3.074 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.877 -9.369 -3.937 1.00 0.59 H new ATOM 0 HG SER A 16 9.934 -10.777 -2.590 1.00 0.77 H new ATOM 245 N PRO A 17 13.842 -7.599 -3.074 1.00 0.52 N ATOM 246 CA PRO A 17 14.386 -6.341 -3.592 1.00 0.52 C ATOM 247 C PRO A 17 13.283 -5.387 -4.054 1.00 0.48 C ATOM 248 O PRO A 17 12.257 -5.820 -4.576 1.00 0.58 O ATOM 249 CB PRO A 17 15.236 -6.785 -4.780 1.00 0.60 C ATOM 250 CG PRO A 17 15.657 -8.173 -4.447 1.00 0.83 C ATOM 251 CD PRO A 17 14.542 -8.772 -3.632 1.00 0.63 C ATOM 0 HA PRO A 17 14.945 -5.792 -2.834 1.00 0.52 H new ATOM 0 HB2 PRO A 17 14.665 -6.757 -5.708 1.00 0.60 H new ATOM 0 HB3 PRO A 17 16.098 -6.132 -4.916 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.831 -8.754 -5.353 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.591 -8.171 -3.885 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.878 -9.378 -4.248 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.926 -9.420 -2.844 1.00 0.63 H new ATOM 259 N PHE A 18 13.516 -4.097 -3.861 1.00 0.41 N ATOM 260 CA PHE A 18 12.519 -3.059 -4.125 1.00 0.37 C ATOM 261 C PHE A 18 12.002 -3.054 -5.571 1.00 0.36 C ATOM 262 O PHE A 18 10.901 -2.569 -5.827 1.00 0.37 O ATOM 263 CB PHE A 18 13.114 -1.688 -3.754 1.00 0.38 C ATOM 264 CG PHE A 18 12.652 -0.550 -4.624 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.511 0.171 -4.316 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.361 -0.218 -5.765 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.089 1.201 -5.135 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.949 0.809 -6.584 1.00 0.36 C ATOM 269 CZ PHE A 18 11.808 1.522 -6.271 1.00 0.37 C ATOM 0 H PHE A 18 14.405 -3.735 -3.515 1.00 0.41 H new ATOM 0 HA PHE A 18 11.649 -3.278 -3.506 1.00 0.37 H new ATOM 0 HB2 PHE A 18 12.858 -1.464 -2.718 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.201 -1.751 -3.808 1.00 0.38 H new ATOM 0 HD1 PHE A 18 10.946 -0.073 -3.429 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.252 -0.774 -6.017 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.196 1.756 -4.887 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.516 1.057 -7.469 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.479 2.327 -6.911 1.00 0.37 H new ATOM 279 N TYR A 19 12.768 -3.599 -6.512 1.00 0.38 N ATOM 280 CA TYR A 19 12.353 -3.591 -7.918 1.00 0.41 C ATOM 281 C TYR A 19 11.218 -4.574 -8.178 1.00 0.44 C ATOM 282 O TYR A 19 10.795 -4.765 -9.319 1.00 0.52 O ATOM 283 CB TYR A 19 13.525 -3.903 -8.847 1.00 0.45 C ATOM 284 CG TYR A 19 14.324 -2.683 -9.248 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.893 -1.855 -10.279 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.510 -2.366 -8.608 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.624 -0.743 -10.656 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.246 -1.260 -8.981 1.00 0.64 C ATOM 289 CZ TYR A 19 15.802 -0.453 -10.004 1.00 0.57 C ATOM 290 OH TYR A 19 16.545 0.644 -10.376 1.00 0.65 O ATOM 0 H TYR A 19 13.667 -4.046 -6.334 1.00 0.38 H new ATOM 0 HA TYR A 19 11.993 -2.584 -8.130 1.00 0.41 H new ATOM 0 HB2 TYR A 19 14.188 -4.615 -8.355 1.00 0.45 H new ATOM 0 HB3 TYR A 19 13.145 -4.389 -9.746 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.972 -2.084 -10.794 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.865 -2.994 -7.804 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.274 -0.107 -11.456 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.169 -1.028 -8.471 1.00 0.64 H new ATOM 0 HH TYR A 19 17.345 0.703 -9.813 1.00 0.65 H new ATOM 300 N ASN A 20 10.732 -5.192 -7.122 1.00 0.44 N ATOM 301 CA ASN A 20 9.605 -6.095 -7.224 1.00 0.48 C ATOM 302 C ASN A 20 8.300 -5.299 -7.201 1.00 0.42 C ATOM 303 O ASN A 20 8.292 -4.117 -6.856 1.00 0.52 O ATOM 304 CB ASN A 20 9.623 -7.099 -6.069 1.00 0.61 C ATOM 305 CG ASN A 20 9.103 -6.521 -4.763 1.00 1.03 C ATOM 306 OD1 ASN A 20 9.364 -5.375 -4.400 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.348 -7.321 -4.046 1.00 0.69 N ATOM 0 H ASN A 20 11.102 -5.084 -6.178 1.00 0.44 H new ATOM 0 HA ASN A 20 9.676 -6.642 -8.164 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.020 -7.966 -6.340 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.643 -7.454 -5.921 1.00 0.61 H new ATOM 0 HD21 ASN A 20 7.959 -6.997 -3.160 1.00 0.69 H new ATOM 0 HD22 ASN A 20 8.150 -8.266 -4.375 1.00 0.69 H new ATOM 314 N PRO A 21 7.179 -5.918 -7.590 1.00 0.41 N ATOM 315 CA PRO A 21 5.879 -5.279 -7.499 1.00 0.38 C ATOM 316 C PRO A 21 5.229 -5.471 -6.130 1.00 0.35 C ATOM 317 O PRO A 21 5.389 -6.516 -5.492 1.00 0.42 O ATOM 318 CB PRO A 21 5.074 -5.989 -8.582 1.00 0.44 C ATOM 319 CG PRO A 21 5.662 -7.359 -8.671 1.00 0.62 C ATOM 320 CD PRO A 21 7.088 -7.269 -8.179 1.00 0.57 C ATOM 0 HA PRO A 21 5.940 -4.198 -7.628 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.016 -6.030 -8.323 1.00 0.44 H new ATOM 0 HB3 PRO A 21 5.149 -5.466 -9.535 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.090 -8.063 -8.066 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.632 -7.724 -9.698 1.00 0.62 H new ATOM 0 HD2 PRO A 21 7.305 -8.041 -7.441 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.800 -7.398 -8.994 1.00 0.57 H new ATOM 328 N PHE A 22 4.513 -4.453 -5.675 1.00 0.33 N ATOM 329 CA PHE A 22 3.733 -4.559 -4.457 1.00 0.34 C ATOM 330 C PHE A 22 2.538 -5.466 -4.697 1.00 0.33 C ATOM 331 O PHE A 22 1.525 -5.049 -5.262 1.00 0.41 O ATOM 332 CB PHE A 22 3.276 -3.182 -3.966 1.00 0.37 C ATOM 333 CG PHE A 22 4.371 -2.385 -3.315 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.836 -2.710 -2.049 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.931 -1.301 -3.971 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.836 -1.968 -1.455 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.933 -0.558 -3.380 1.00 0.57 C ATOM 338 CZ PHE A 22 6.404 -0.935 -2.100 1.00 0.58 C ATOM 0 H PHE A 22 4.458 -3.544 -6.134 1.00 0.33 H new ATOM 0 HA PHE A 22 4.362 -4.990 -3.678 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.879 -2.618 -4.810 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.459 -3.311 -3.256 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.411 -3.552 -1.523 1.00 0.43 H new ATOM 0 HD2 PHE A 22 4.579 -1.034 -4.957 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.167 -2.221 -0.458 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.351 0.299 -3.887 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.219 -0.393 -1.642 1.00 0.58 H new ATOM 348 N GLN A 23 2.694 -6.718 -4.303 1.00 0.31 N ATOM 349 CA GLN A 23 1.684 -7.736 -4.512 1.00 0.34 C ATOM 350 C GLN A 23 0.860 -7.945 -3.246 1.00 0.33 C ATOM 351 O GLN A 23 1.334 -8.516 -2.261 1.00 0.38 O ATOM 352 CB GLN A 23 2.364 -9.036 -4.953 1.00 0.45 C ATOM 353 CG GLN A 23 1.449 -10.250 -4.967 1.00 0.97 C ATOM 354 CD GLN A 23 2.107 -11.464 -5.594 1.00 0.90 C ATOM 355 OE1 GLN A 23 1.440 -12.314 -6.182 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.421 -11.551 -5.469 1.00 1.13 N ATOM 0 H GLN A 23 3.530 -7.057 -3.827 1.00 0.31 H new ATOM 0 HA GLN A 23 0.999 -7.413 -5.296 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.776 -8.895 -5.952 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.203 -9.237 -4.287 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.151 -10.489 -3.946 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.539 -10.009 -5.517 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.935 -10.823 -4.973 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.920 -12.346 -5.869 1.00 1.13 H new ATOM 365 N PHE A 24 -0.368 -7.459 -3.273 1.00 0.31 N ATOM 366 CA PHE A 24 -1.261 -7.583 -2.133 1.00 0.33 C ATOM 367 C PHE A 24 -2.455 -8.458 -2.475 1.00 0.36 C ATOM 368 O PHE A 24 -3.027 -8.343 -3.555 1.00 0.50 O ATOM 369 CB PHE A 24 -1.772 -6.213 -1.688 1.00 0.31 C ATOM 370 CG PHE A 24 -0.716 -5.293 -1.146 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.267 -5.427 0.157 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.155 -4.314 -1.947 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.724 -4.600 0.652 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.832 -3.479 -1.456 1.00 0.32 C ATOM 375 CZ PHE A 24 1.207 -3.559 -0.132 1.00 0.30 C ATOM 0 H PHE A 24 -0.771 -6.973 -4.074 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.691 -8.040 -1.324 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.256 -5.728 -2.536 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.536 -6.356 -0.924 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.696 -6.186 0.794 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.492 -4.201 -2.967 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.121 -4.762 1.643 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.309 -2.764 -2.110 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.870 -2.820 0.292 1.00 0.30 H new ATOM 385 N GLU A 25 -2.826 -9.321 -1.549 1.00 0.31 N ATOM 386 CA GLU A 25 -4.035 -10.105 -1.678 1.00 0.34 C ATOM 387 C GLU A 25 -5.096 -9.447 -0.816 1.00 0.32 C ATOM 388 O GLU A 25 -5.083 -9.580 0.412 1.00 0.35 O ATOM 389 CB GLU A 25 -3.808 -11.549 -1.225 1.00 0.43 C ATOM 390 CG GLU A 25 -4.620 -12.580 -1.997 1.00 0.97 C ATOM 391 CD GLU A 25 -6.074 -12.184 -2.186 1.00 1.43 C ATOM 392 OE1 GLU A 25 -6.764 -11.966 -1.167 1.00 1.72 O ATOM 393 OE2 GLU A 25 -6.528 -12.097 -3.345 1.00 1.98 O ATOM 0 H GLU A 25 -2.301 -9.496 -0.692 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.347 -10.140 -2.722 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.749 -11.787 -1.326 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -4.053 -11.629 -0.166 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -4.163 -12.734 -2.975 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.576 -13.534 -1.471 1.00 0.97 H new ATOM 400 N ILE A 26 -5.969 -8.695 -1.450 1.00 0.30 N ATOM 401 CA ILE A 26 -6.963 -7.927 -0.734 1.00 0.30 C ATOM 402 C ILE A 26 -8.318 -8.621 -0.768 1.00 0.29 C ATOM 403 O ILE A 26 -9.022 -8.596 -1.780 1.00 0.32 O ATOM 404 CB ILE A 26 -7.096 -6.511 -1.326 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.738 -5.808 -1.332 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.115 -5.696 -0.535 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.732 -4.518 -2.118 1.00 0.29 C ATOM 0 H ILE A 26 -6.010 -8.599 -2.465 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.632 -7.849 0.301 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.447 -6.596 -2.354 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.441 -5.600 -0.304 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.990 -6.482 -1.749 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.197 -4.698 -0.966 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.086 -6.190 -0.575 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.791 -5.617 0.503 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.738 -4.073 -2.080 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -5.998 -4.723 -3.155 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.456 -3.826 -1.687 1.00 0.29 H new ATOM 419 N THR A 27 -8.674 -9.247 0.338 1.00 0.31 N ATOM 420 CA THR A 27 -9.989 -9.819 0.488 1.00 0.30 C ATOM 421 C THR A 27 -10.864 -8.894 1.328 1.00 0.27 C ATOM 422 O THR A 27 -10.701 -8.796 2.553 1.00 0.29 O ATOM 423 CB THR A 27 -9.927 -11.206 1.156 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.092 -12.090 0.403 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.317 -11.813 1.281 1.00 0.34 C ATOM 0 H THR A 27 -8.064 -9.370 1.146 1.00 0.31 H new ATOM 0 HA THR A 27 -10.417 -9.935 -0.508 1.00 0.30 H new ATOM 0 HB THR A 27 -9.507 -11.073 2.153 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.357 -11.582 0.001 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.245 -12.792 1.756 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.946 -11.161 1.887 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.757 -11.922 0.290 1.00 0.34 H new ATOM 433 N PHE A 28 -11.788 -8.216 0.670 1.00 0.23 N ATOM 434 CA PHE A 28 -12.698 -7.324 1.345 1.00 0.22 C ATOM 435 C PHE A 28 -14.119 -7.808 1.136 1.00 0.21 C ATOM 436 O PHE A 28 -14.485 -8.256 0.049 1.00 0.20 O ATOM 437 CB PHE A 28 -12.529 -5.883 0.849 1.00 0.21 C ATOM 438 CG PHE A 28 -12.970 -5.641 -0.569 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.171 -6.017 -1.637 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.180 -5.016 -0.830 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.574 -5.777 -2.936 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.583 -4.772 -2.127 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.779 -5.152 -3.180 1.00 0.28 C ATOM 0 H PHE A 28 -11.924 -8.271 -0.339 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.473 -7.326 2.411 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.092 -5.220 1.506 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.479 -5.605 0.939 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.224 -6.502 -1.452 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.814 -4.717 -0.009 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.945 -6.079 -3.761 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.527 -4.284 -2.317 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.092 -4.960 -4.196 1.00 0.28 H new ATOM 453 N GLU A 29 -14.908 -7.736 2.174 1.00 0.22 N ATOM 454 CA GLU A 29 -16.250 -8.259 2.125 1.00 0.23 C ATOM 455 C GLU A 29 -17.255 -7.126 2.102 1.00 0.25 C ATOM 456 O GLU A 29 -17.268 -6.267 2.986 1.00 0.29 O ATOM 457 CB GLU A 29 -16.477 -9.188 3.312 1.00 0.26 C ATOM 458 CG GLU A 29 -17.854 -9.812 3.368 1.00 0.33 C ATOM 459 CD GLU A 29 -17.901 -10.974 4.336 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.957 -10.739 5.557 1.00 0.77 O ATOM 461 OE2 GLU A 29 -17.873 -12.134 3.875 1.00 0.67 O ATOM 0 H GLU A 29 -14.645 -7.319 3.067 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.386 -8.835 1.210 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.733 -9.984 3.282 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.308 -8.629 4.232 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.583 -9.059 3.667 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.139 -10.155 2.373 1.00 0.33 H new ATOM 468 N CYS A 30 -18.064 -7.109 1.061 1.00 0.24 N ATOM 469 CA CYS A 30 -19.106 -6.120 0.928 1.00 0.28 C ATOM 470 C CYS A 30 -20.321 -6.555 1.724 1.00 0.33 C ATOM 471 O CYS A 30 -20.968 -7.549 1.397 1.00 0.35 O ATOM 472 CB CYS A 30 -19.467 -5.924 -0.541 1.00 0.29 C ATOM 473 SG CYS A 30 -18.067 -5.439 -1.575 1.00 0.51 S ATOM 0 H CYS A 30 -18.016 -7.776 0.291 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.749 -5.167 1.319 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.890 -6.851 -0.929 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.244 -5.163 -0.617 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.393 -4.402 -2.288 1.00 0.51 H new ATOM 479 N ILE A 31 -20.605 -5.820 2.782 1.00 0.39 N ATOM 480 CA ILE A 31 -21.723 -6.129 3.651 1.00 0.45 C ATOM 481 C ILE A 31 -23.005 -5.705 2.958 1.00 0.48 C ATOM 482 O ILE A 31 -24.054 -6.337 3.097 1.00 0.53 O ATOM 483 CB ILE A 31 -21.589 -5.394 4.999 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.137 -5.442 5.480 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.509 -6.021 6.036 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.874 -4.595 6.705 1.00 0.52 C ATOM 0 H ILE A 31 -20.071 -4.997 3.062 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.738 -7.200 3.852 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.880 -4.353 4.862 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.870 -6.476 5.700 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.485 -5.109 4.672 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.404 -5.492 6.983 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.542 -5.953 5.695 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.241 -7.069 6.174 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.824 -4.679 6.987 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.108 -3.554 6.484 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.500 -4.941 7.528 1.00 0.52 H new ATOM 498 N GLU A 32 -22.883 -4.640 2.182 1.00 0.49 N ATOM 499 CA GLU A 32 -23.980 -4.116 1.397 1.00 0.53 C ATOM 500 C GLU A 32 -23.518 -3.996 -0.049 1.00 0.52 C ATOM 501 O GLU A 32 -22.345 -4.228 -0.341 1.00 0.51 O ATOM 502 CB GLU A 32 -24.407 -2.737 1.915 1.00 0.60 C ATOM 503 CG GLU A 32 -24.561 -2.642 3.432 1.00 0.84 C ATOM 504 CD GLU A 32 -25.615 -3.572 4.005 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.419 -4.134 3.229 1.00 1.53 O ATOM 506 OE2 GLU A 32 -25.657 -3.730 5.243 1.00 1.83 O ATOM 0 H GLU A 32 -22.014 -4.115 2.081 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.835 -4.788 1.473 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.672 -2.000 1.592 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -25.355 -2.467 1.450 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -23.602 -2.865 3.899 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.814 -1.616 3.698 1.00 0.84 H new ATOM 513 N ASP A 33 -24.418 -3.633 -0.947 1.00 0.62 N ATOM 514 CA ASP A 33 -24.045 -3.432 -2.341 1.00 0.65 C ATOM 515 C ASP A 33 -23.744 -1.959 -2.588 1.00 0.65 C ATOM 516 O ASP A 33 -24.424 -1.080 -2.061 1.00 0.79 O ATOM 517 CB ASP A 33 -25.148 -3.923 -3.288 1.00 0.76 C ATOM 518 CG ASP A 33 -26.416 -3.096 -3.213 1.00 1.44 C ATOM 519 OD1 ASP A 33 -27.157 -3.219 -2.212 1.00 2.18 O ATOM 520 OD2 ASP A 33 -26.694 -2.339 -4.164 1.00 2.01 O ATOM 0 H ASP A 33 -25.404 -3.472 -0.741 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.149 -4.018 -2.546 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -24.772 -3.907 -4.311 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.385 -4.960 -3.052 1.00 0.76 H new ATOM 525 N LEU A 34 -22.706 -1.695 -3.361 1.00 0.57 N ATOM 526 CA LEU A 34 -22.285 -0.331 -3.634 1.00 0.57 C ATOM 527 C LEU A 34 -22.846 0.140 -4.970 1.00 0.64 C ATOM 528 O LEU A 34 -22.883 -0.620 -5.941 1.00 0.71 O ATOM 529 CB LEU A 34 -20.751 -0.216 -3.639 1.00 0.55 C ATOM 530 CG LEU A 34 -20.049 -0.386 -2.279 1.00 0.81 C ATOM 531 CD1 LEU A 34 -20.116 -1.826 -1.791 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.601 0.069 -2.373 1.00 1.41 C ATOM 0 H LEU A 34 -22.136 -2.410 -3.813 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.674 0.306 -2.839 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.354 -0.965 -4.325 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.483 0.760 -4.043 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.574 0.237 -1.554 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.610 -1.908 -0.829 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.158 -2.124 -1.680 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.627 -2.478 -2.514 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.117 -0.057 -1.405 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.079 -0.529 -3.120 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.568 1.120 -2.662 1.00 1.41 H new ATOM 544 N SER A 35 -23.297 1.386 -5.010 1.00 0.75 N ATOM 545 CA SER A 35 -23.834 1.967 -6.232 1.00 0.89 C ATOM 546 C SER A 35 -22.728 2.655 -7.021 1.00 0.75 C ATOM 547 O SER A 35 -22.848 2.866 -8.227 1.00 0.92 O ATOM 548 CB SER A 35 -24.947 2.966 -5.897 1.00 1.14 C ATOM 549 OG SER A 35 -25.474 3.567 -7.069 1.00 1.55 O ATOM 0 H SER A 35 -23.301 2.015 -4.207 1.00 0.75 H new ATOM 0 HA SER A 35 -24.252 1.168 -6.844 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.745 2.456 -5.358 1.00 1.14 H new ATOM 0 HB3 SER A 35 -24.557 3.738 -5.234 1.00 1.14 H new ATOM 0 HG SER A 35 -26.183 4.198 -6.823 1.00 1.55 H new ATOM 555 N GLU A 36 -21.653 2.997 -6.330 1.00 0.61 N ATOM 556 CA GLU A 36 -20.531 3.687 -6.946 1.00 0.51 C ATOM 557 C GLU A 36 -19.382 2.719 -7.186 1.00 0.44 C ATOM 558 O GLU A 36 -19.404 1.581 -6.708 1.00 0.53 O ATOM 559 CB GLU A 36 -20.066 4.835 -6.047 1.00 0.63 C ATOM 560 CG GLU A 36 -21.109 5.923 -5.851 1.00 1.48 C ATOM 561 CD GLU A 36 -21.348 6.731 -7.108 1.00 2.16 C ATOM 562 OE1 GLU A 36 -22.219 6.349 -7.912 1.00 2.46 O ATOM 563 OE2 GLU A 36 -20.665 7.759 -7.293 1.00 2.95 O ATOM 0 H GLU A 36 -21.533 2.806 -5.335 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.854 4.092 -7.905 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -19.788 4.432 -5.073 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.168 5.279 -6.476 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -22.047 5.469 -5.531 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -20.788 6.589 -5.050 1.00 1.48 H new ATOM 570 N ASP A 37 -18.386 3.170 -7.935 1.00 0.37 N ATOM 571 CA ASP A 37 -17.180 2.388 -8.145 1.00 0.36 C ATOM 572 C ASP A 37 -16.244 2.551 -6.959 1.00 0.35 C ATOM 573 O ASP A 37 -16.163 3.624 -6.356 1.00 0.50 O ATOM 574 CB ASP A 37 -16.474 2.790 -9.444 1.00 0.49 C ATOM 575 CG ASP A 37 -16.228 4.282 -9.551 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.158 5.007 -9.970 1.00 1.88 O ATOM 577 OD2 ASP A 37 -15.106 4.735 -9.249 1.00 1.30 O ATOM 0 H ASP A 37 -18.391 4.074 -8.407 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.465 1.340 -8.234 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.521 2.265 -9.510 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -17.076 2.465 -10.293 1.00 0.49 H new ATOM 582 N LEU A 38 -15.558 1.479 -6.614 1.00 0.30 N ATOM 583 CA LEU A 38 -14.674 1.483 -5.463 1.00 0.31 C ATOM 584 C LEU A 38 -13.236 1.714 -5.906 1.00 0.28 C ATOM 585 O LEU A 38 -12.708 0.965 -6.731 1.00 0.29 O ATOM 586 CB LEU A 38 -14.805 0.160 -4.711 1.00 0.39 C ATOM 587 CG LEU A 38 -14.347 0.189 -3.256 1.00 0.42 C ATOM 588 CD1 LEU A 38 -15.037 1.324 -2.516 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.641 -1.142 -2.581 1.00 1.32 C ATOM 0 H LEU A 38 -15.595 0.591 -7.115 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.957 2.295 -4.793 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.848 -0.154 -4.740 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.229 -0.599 -5.241 1.00 0.39 H new ATOM 0 HG LEU A 38 -13.270 0.357 -3.230 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.704 1.337 -1.478 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.786 2.273 -2.990 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -16.116 1.177 -2.549 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.308 -1.105 -1.544 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.713 -1.337 -2.612 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.113 -1.939 -3.103 1.00 1.32 H new ATOM 601 N GLU A 39 -12.615 2.755 -5.369 1.00 0.30 N ATOM 602 CA GLU A 39 -11.273 3.139 -5.775 1.00 0.32 C ATOM 603 C GLU A 39 -10.230 2.620 -4.795 1.00 0.31 C ATOM 604 O GLU A 39 -10.200 3.025 -3.638 1.00 0.43 O ATOM 605 CB GLU A 39 -11.178 4.664 -5.885 1.00 0.42 C ATOM 606 CG GLU A 39 -9.831 5.161 -6.390 1.00 0.50 C ATOM 607 CD GLU A 39 -9.757 6.672 -6.459 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.235 7.246 -7.455 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.225 7.290 -5.510 1.00 0.73 O ATOM 0 H GLU A 39 -13.023 3.350 -4.648 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.072 2.692 -6.749 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.961 5.020 -6.555 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.373 5.102 -4.906 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.042 4.792 -5.734 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.643 4.746 -7.380 1.00 0.50 H new ATOM 616 N TRP A 40 -9.394 1.708 -5.260 1.00 0.24 N ATOM 617 CA TRP A 40 -8.277 1.215 -4.464 1.00 0.23 C ATOM 618 C TRP A 40 -6.972 1.797 -4.987 1.00 0.24 C ATOM 619 O TRP A 40 -6.619 1.582 -6.143 1.00 0.28 O ATOM 620 CB TRP A 40 -8.204 -0.314 -4.522 1.00 0.24 C ATOM 621 CG TRP A 40 -9.439 -1.002 -4.029 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.542 -1.333 -4.761 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.688 -1.458 -2.697 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.466 -1.957 -3.962 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.966 -2.044 -2.690 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.957 -1.417 -1.506 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.525 -2.592 -1.541 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.513 -1.965 -0.367 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.789 -2.543 -0.391 1.00 0.40 C ATOM 0 H TRP A 40 -9.466 1.291 -6.188 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.432 1.524 -3.430 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.017 -0.620 -5.551 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.353 -0.650 -3.930 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.669 -1.133 -5.815 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.377 -2.300 -4.266 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.976 -0.965 -1.477 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.507 -3.041 -1.557 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.955 -1.948 0.558 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.199 -2.958 0.518 1.00 0.40 H new ATOM 640 N LYS A 41 -6.259 2.540 -4.157 1.00 0.25 N ATOM 641 CA LYS A 41 -4.980 3.106 -4.569 1.00 0.25 C ATOM 642 C LYS A 41 -3.845 2.625 -3.683 1.00 0.23 C ATOM 643 O LYS A 41 -4.018 2.436 -2.480 1.00 0.27 O ATOM 644 CB LYS A 41 -5.011 4.634 -4.544 1.00 0.37 C ATOM 645 CG LYS A 41 -5.645 5.265 -5.767 1.00 0.63 C ATOM 646 CD LYS A 41 -5.514 6.779 -5.723 1.00 0.65 C ATOM 647 CE LYS A 41 -6.260 7.442 -6.871 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.429 8.903 -6.653 1.00 1.23 N ATOM 0 H LYS A 41 -6.538 2.765 -3.202 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.807 2.765 -5.590 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.555 4.960 -3.658 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -3.991 5.005 -4.446 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.168 4.880 -6.669 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.698 4.988 -5.820 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -5.902 7.150 -4.774 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.460 7.055 -5.766 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.717 7.274 -7.801 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.239 6.976 -6.985 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -6.942 9.317 -7.457 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.969 9.063 -5.779 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.495 9.352 -6.570 1.00 1.23 H new ATOM 662 N ILE A 42 -2.682 2.441 -4.288 1.00 0.22 N ATOM 663 CA ILE A 42 -1.471 2.190 -3.533 1.00 0.24 C ATOM 664 C ILE A 42 -0.626 3.451 -3.527 1.00 0.25 C ATOM 665 O ILE A 42 0.051 3.768 -4.511 1.00 0.31 O ATOM 666 CB ILE A 42 -0.635 1.019 -4.102 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.400 -0.305 -3.988 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.710 0.923 -3.387 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.550 -1.525 -4.274 1.00 0.46 C ATOM 0 H ILE A 42 -2.554 2.461 -5.300 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.769 1.908 -2.523 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.452 1.216 -5.158 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.815 -0.389 -2.984 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.242 -0.289 -4.680 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.284 0.094 -3.801 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.263 1.852 -3.526 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.545 0.755 -2.323 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.158 -2.424 -4.174 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.156 -1.464 -5.289 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.277 -1.566 -3.565 1.00 0.46 H new ATOM 681 N ILE A 43 -0.710 4.192 -2.438 1.00 0.24 N ATOM 682 CA ILE A 43 0.067 5.404 -2.286 1.00 0.27 C ATOM 683 C ILE A 43 1.327 5.096 -1.498 1.00 0.26 C ATOM 684 O ILE A 43 1.266 4.721 -0.326 1.00 0.30 O ATOM 685 CB ILE A 43 -0.729 6.522 -1.577 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.032 6.803 -2.332 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.116 7.788 -1.476 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.890 7.876 -1.696 1.00 0.69 C ATOM 0 H ILE A 43 -1.311 3.973 -1.644 1.00 0.24 H new ATOM 0 HA ILE A 43 0.320 5.765 -3.283 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.978 6.192 -0.568 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.792 7.101 -3.353 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.609 5.881 -2.397 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.456 8.568 -0.974 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.020 7.577 -0.905 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.389 8.124 -2.476 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.794 8.017 -2.288 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.162 7.573 -0.685 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.332 8.812 -1.656 1.00 0.69 H new ATOM 700 N TYR A 44 2.458 5.212 -2.154 1.00 0.29 N ATOM 701 CA TYR A 44 3.729 4.953 -1.513 1.00 0.29 C ATOM 702 C TYR A 44 4.329 6.255 -1.002 1.00 0.28 C ATOM 703 O TYR A 44 4.298 7.277 -1.690 1.00 0.33 O ATOM 704 CB TYR A 44 4.672 4.269 -2.505 1.00 0.32 C ATOM 705 CG TYR A 44 5.962 3.764 -1.897 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.038 2.522 -1.277 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.105 4.547 -1.932 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.219 2.079 -0.713 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.287 4.111 -1.368 1.00 0.45 C ATOM 710 CZ TYR A 44 8.328 2.794 -0.803 1.00 0.49 C ATOM 711 OH TYR A 44 9.520 2.449 -0.194 1.00 0.59 O ATOM 0 H TYR A 44 2.525 5.485 -3.135 1.00 0.29 H new ATOM 0 HA TYR A 44 3.580 4.290 -0.661 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.149 3.431 -2.965 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.912 4.972 -3.303 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.160 1.894 -1.236 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.070 5.515 -2.409 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.237 1.134 -0.190 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.160 4.747 -1.353 1.00 0.45 H new ATOM 0 HH TYR A 44 9.395 2.421 0.778 1.00 0.59 H new ATOM 721 N VAL A 45 4.834 6.229 0.222 1.00 0.27 N ATOM 722 CA VAL A 45 5.548 7.368 0.767 1.00 0.28 C ATOM 723 C VAL A 45 6.901 7.477 0.090 1.00 0.30 C ATOM 724 O VAL A 45 7.811 6.713 0.398 1.00 0.36 O ATOM 725 CB VAL A 45 5.757 7.252 2.294 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.484 8.473 2.840 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.434 7.059 3.008 1.00 0.34 C ATOM 0 H VAL A 45 4.762 5.432 0.854 1.00 0.27 H new ATOM 0 HA VAL A 45 4.945 8.257 0.580 1.00 0.28 H new ATOM 0 HB VAL A 45 6.377 6.375 2.479 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.618 8.366 3.916 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.459 8.561 2.360 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.897 9.368 2.635 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.608 6.980 4.081 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.785 7.911 2.807 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.957 6.147 2.650 1.00 0.34 H new ATOM 737 N GLY A 46 7.008 8.397 -0.857 1.00 0.32 N ATOM 738 CA GLY A 46 8.245 8.580 -1.582 1.00 0.39 C ATOM 739 C GLY A 46 9.417 8.823 -0.661 1.00 0.41 C ATOM 740 O GLY A 46 10.432 8.144 -0.755 1.00 0.47 O ATOM 0 H GLY A 46 6.253 9.024 -1.137 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.441 7.697 -2.191 1.00 0.39 H new ATOM 0 HA3 GLY A 46 8.142 9.423 -2.266 1.00 0.39 H new ATOM 744 N SER A 47 9.269 9.787 0.238 1.00 0.43 N ATOM 745 CA SER A 47 10.311 10.104 1.191 1.00 0.48 C ATOM 746 C SER A 47 9.736 10.276 2.590 1.00 0.51 C ATOM 747 O SER A 47 8.671 10.870 2.763 1.00 0.49 O ATOM 748 CB SER A 47 11.015 11.389 0.756 1.00 0.53 C ATOM 749 OG SER A 47 12.000 11.791 1.690 1.00 1.23 O ATOM 0 H SER A 47 8.431 10.363 0.323 1.00 0.43 H new ATOM 0 HA SER A 47 11.025 9.281 1.218 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.479 11.237 -0.219 1.00 0.53 H new ATOM 0 HB3 SER A 47 10.279 12.185 0.639 1.00 0.53 H new ATOM 0 HG SER A 47 12.678 12.334 1.237 1.00 1.23 H new ATOM 755 N ALA A 48 10.437 9.747 3.583 1.00 0.62 N ATOM 756 CA ALA A 48 10.106 10.016 4.973 1.00 0.70 C ATOM 757 C ALA A 48 10.723 11.348 5.374 1.00 0.75 C ATOM 758 O ALA A 48 10.293 11.994 6.332 1.00 0.82 O ATOM 759 CB ALA A 48 10.614 8.896 5.866 1.00 0.81 C ATOM 0 H ALA A 48 11.238 9.129 3.451 1.00 0.62 H new ATOM 0 HA ALA A 48 9.024 10.068 5.090 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.358 9.113 6.903 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.152 7.955 5.568 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.697 8.816 5.769 1.00 0.81 H new ATOM 765 N GLU A 49 11.729 11.749 4.604 1.00 0.75 N ATOM 766 CA GLU A 49 12.397 13.026 4.778 1.00 0.83 C ATOM 767 C GLU A 49 11.469 14.145 4.319 1.00 0.82 C ATOM 768 O GLU A 49 11.382 15.203 4.946 1.00 0.93 O ATOM 769 CB GLU A 49 13.693 13.019 3.964 1.00 0.90 C ATOM 770 CG GLU A 49 14.485 14.311 4.005 1.00 1.06 C ATOM 771 CD GLU A 49 15.729 14.228 3.145 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.729 13.633 3.596 1.00 1.99 O ATOM 773 OE2 GLU A 49 15.710 14.739 2.007 1.00 1.96 O ATOM 0 H GLU A 49 12.104 11.190 3.837 1.00 0.75 H new ATOM 0 HA GLU A 49 12.642 13.191 5.827 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.327 12.210 4.327 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.451 12.792 2.926 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.858 15.134 3.661 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.767 14.533 5.034 1.00 1.06 H new ATOM 780 N SER A 50 10.779 13.898 3.213 1.00 0.74 N ATOM 781 CA SER A 50 9.752 14.795 2.721 1.00 0.79 C ATOM 782 C SER A 50 8.662 13.987 2.029 1.00 0.75 C ATOM 783 O SER A 50 8.859 13.469 0.930 1.00 1.26 O ATOM 784 CB SER A 50 10.351 15.821 1.758 1.00 0.96 C ATOM 785 OG SER A 50 11.396 16.547 2.382 1.00 1.72 O ATOM 0 H SER A 50 10.919 13.069 2.635 1.00 0.74 H new ATOM 0 HA SER A 50 9.318 15.335 3.562 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.733 15.315 0.872 1.00 0.96 H new ATOM 0 HB3 SER A 50 9.574 16.508 1.423 1.00 0.96 H new ATOM 0 HG SER A 50 11.767 17.197 1.749 1.00 1.72 H new ATOM 791 N GLU A 51 7.513 13.879 2.678 1.00 0.78 N ATOM 792 CA GLU A 51 6.421 13.057 2.171 1.00 0.71 C ATOM 793 C GLU A 51 5.816 13.662 0.906 1.00 0.74 C ATOM 794 O GLU A 51 4.948 13.065 0.275 1.00 0.80 O ATOM 795 CB GLU A 51 5.335 12.857 3.238 1.00 0.85 C ATOM 796 CG GLU A 51 4.789 14.149 3.838 1.00 1.46 C ATOM 797 CD GLU A 51 5.686 14.728 4.917 1.00 1.68 C ATOM 798 OE1 GLU A 51 6.588 15.524 4.578 1.00 2.02 O ATOM 799 OE2 GLU A 51 5.490 14.393 6.106 1.00 2.09 O ATOM 0 H GLU A 51 7.311 14.351 3.559 1.00 0.78 H new ATOM 0 HA GLU A 51 6.837 12.082 1.919 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.509 12.299 2.797 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.742 12.242 4.041 1.00 0.85 H new ATOM 0 HG2 GLU A 51 4.662 14.886 3.045 1.00 1.46 H new ATOM 0 HG3 GLU A 51 3.801 13.959 4.258 1.00 1.46 H new ATOM 806 N GLU A 52 6.290 14.848 0.546 1.00 0.78 N ATOM 807 CA GLU A 52 5.920 15.497 -0.707 1.00 0.89 C ATOM 808 C GLU A 52 6.322 14.626 -1.901 1.00 0.78 C ATOM 809 O GLU A 52 5.808 14.787 -3.011 1.00 0.85 O ATOM 810 CB GLU A 52 6.618 16.853 -0.802 1.00 1.09 C ATOM 811 CG GLU A 52 6.181 17.693 -1.976 1.00 1.70 C ATOM 812 CD GLU A 52 7.130 18.836 -2.245 1.00 2.16 C ATOM 813 OE1 GLU A 52 6.957 19.906 -1.627 1.00 2.83 O ATOM 814 OE2 GLU A 52 8.047 18.670 -3.074 1.00 2.43 O ATOM 0 H GLU A 52 6.942 15.388 1.114 1.00 0.78 H new ATOM 0 HA GLU A 52 4.839 15.637 -0.726 1.00 0.89 H new ATOM 0 HB2 GLU A 52 6.433 17.409 0.117 1.00 1.09 H new ATOM 0 HB3 GLU A 52 7.694 16.691 -0.866 1.00 1.09 H new ATOM 0 HG2 GLU A 52 6.111 17.065 -2.864 1.00 1.70 H new ATOM 0 HG3 GLU A 52 5.183 18.089 -1.786 1.00 1.70 H new ATOM 821 N TYR A 53 7.246 13.702 -1.661 1.00 0.65 N ATOM 822 CA TYR A 53 7.746 12.812 -2.704 1.00 0.61 C ATOM 823 C TYR A 53 6.825 11.608 -2.910 1.00 0.52 C ATOM 824 O TYR A 53 7.170 10.682 -3.642 1.00 0.52 O ATOM 825 CB TYR A 53 9.146 12.317 -2.342 1.00 0.62 C ATOM 826 CG TYR A 53 10.240 13.350 -2.499 1.00 0.82 C ATOM 827 CD1 TYR A 53 10.723 13.698 -3.754 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.802 13.959 -1.390 1.00 0.83 C ATOM 829 CE1 TYR A 53 11.735 14.630 -3.894 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.814 14.886 -1.517 1.00 1.01 C ATOM 831 CZ TYR A 53 12.279 15.221 -2.773 1.00 1.25 C ATOM 832 OH TYR A 53 13.295 16.144 -2.909 1.00 1.48 O ATOM 0 H TYR A 53 7.667 13.549 -0.745 1.00 0.65 H new ATOM 0 HA TYR A 53 7.779 13.382 -3.633 1.00 0.61 H new ATOM 0 HB2 TYR A 53 9.138 11.969 -1.309 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.385 11.456 -2.966 1.00 0.62 H new ATOM 0 HD1 TYR A 53 10.302 13.234 -4.634 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.440 13.702 -0.405 1.00 0.83 H new ATOM 0 HE1 TYR A 53 12.098 14.894 -4.877 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.241 15.348 -0.639 1.00 1.01 H new ATOM 0 HH TYR A 53 13.565 16.466 -2.024 1.00 1.48 H new ATOM 842 N ASP A 54 5.666 11.624 -2.258 1.00 0.52 N ATOM 843 CA ASP A 54 4.713 10.518 -2.347 1.00 0.52 C ATOM 844 C ASP A 54 4.222 10.331 -3.776 1.00 0.57 C ATOM 845 O ASP A 54 4.086 11.295 -4.535 1.00 0.68 O ATOM 846 CB ASP A 54 3.519 10.758 -1.410 1.00 0.65 C ATOM 847 CG ASP A 54 2.594 11.863 -1.894 1.00 0.88 C ATOM 848 OD1 ASP A 54 3.005 13.044 -1.879 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.444 11.561 -2.275 1.00 1.22 O ATOM 0 H ASP A 54 5.362 12.392 -1.660 1.00 0.52 H new ATOM 0 HA ASP A 54 5.229 9.609 -2.038 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.950 9.833 -1.312 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.889 11.011 -0.417 1.00 0.65 H new ATOM 854 N GLN A 55 3.982 9.084 -4.151 1.00 0.54 N ATOM 855 CA GLN A 55 3.458 8.780 -5.469 1.00 0.60 C ATOM 856 C GLN A 55 2.471 7.619 -5.404 1.00 0.46 C ATOM 857 O GLN A 55 2.632 6.682 -4.618 1.00 0.57 O ATOM 858 CB GLN A 55 4.590 8.474 -6.471 1.00 0.78 C ATOM 859 CG GLN A 55 5.384 7.199 -6.193 1.00 0.87 C ATOM 860 CD GLN A 55 6.342 7.320 -5.019 1.00 0.88 C ATOM 861 OE1 GLN A 55 5.987 7.029 -3.884 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.569 7.742 -5.289 1.00 0.81 N ATOM 0 H GLN A 55 4.142 8.268 -3.560 1.00 0.54 H new ATOM 0 HA GLN A 55 2.930 9.665 -5.825 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.159 8.403 -7.470 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.281 9.317 -6.481 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.688 6.383 -6.000 1.00 0.87 H new ATOM 0 HG3 GLN A 55 5.949 6.931 -7.086 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.829 7.975 -6.247 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.254 7.833 -4.538 1.00 0.81 H new ATOM 871 N VAL A 56 1.442 7.701 -6.231 1.00 0.41 N ATOM 872 CA VAL A 56 0.437 6.662 -6.324 1.00 0.37 C ATOM 873 C VAL A 56 0.795 5.750 -7.477 1.00 0.36 C ATOM 874 O VAL A 56 0.856 6.182 -8.629 1.00 0.44 O ATOM 875 CB VAL A 56 -0.979 7.236 -6.545 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.015 6.122 -6.543 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.307 8.281 -5.489 1.00 1.08 C ATOM 0 H VAL A 56 1.282 8.491 -6.856 1.00 0.41 H new ATOM 0 HA VAL A 56 0.422 6.116 -5.381 1.00 0.37 H new ATOM 0 HB VAL A 56 -1.003 7.721 -7.521 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.006 6.547 -6.700 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.792 5.416 -7.343 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.990 5.604 -5.584 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.309 8.672 -5.663 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.263 7.825 -4.500 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.585 9.095 -5.546 1.00 1.08 H new ATOM 887 N LEU A 57 1.048 4.500 -7.165 1.00 0.34 N ATOM 888 CA LEU A 57 1.561 3.564 -8.146 1.00 0.39 C ATOM 889 C LEU A 57 0.473 3.109 -9.100 1.00 0.36 C ATOM 890 O LEU A 57 0.690 3.026 -10.311 1.00 0.48 O ATOM 891 CB LEU A 57 2.191 2.361 -7.448 1.00 0.44 C ATOM 892 CG LEU A 57 3.565 2.616 -6.824 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.484 3.586 -5.662 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.191 1.308 -6.374 1.00 0.77 C ATOM 0 H LEU A 57 0.907 4.104 -6.236 1.00 0.34 H new ATOM 0 HA LEU A 57 2.324 4.077 -8.731 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.513 2.018 -6.667 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.282 1.549 -8.170 1.00 0.44 H new ATOM 0 HG LEU A 57 4.195 3.070 -7.590 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.480 3.740 -5.247 1.00 1.05 H new ATOM 0 HD12 LEU A 57 3.084 4.538 -6.010 1.00 1.05 H new ATOM 0 HD13 LEU A 57 2.829 3.178 -4.892 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.168 1.505 -5.932 1.00 0.77 H new ATOM 0 HD22 LEU A 57 3.547 0.832 -5.634 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.308 0.646 -7.232 1.00 0.77 H new ATOM 906 N ASP A 58 -0.700 2.828 -8.561 1.00 0.31 N ATOM 907 CA ASP A 58 -1.795 2.334 -9.381 1.00 0.35 C ATOM 908 C ASP A 58 -3.128 2.522 -8.666 1.00 0.33 C ATOM 909 O ASP A 58 -3.163 2.871 -7.482 1.00 0.33 O ATOM 910 CB ASP A 58 -1.573 0.856 -9.717 1.00 0.43 C ATOM 911 CG ASP A 58 -2.340 0.414 -10.946 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.510 -0.005 -10.807 1.00 1.31 O ATOM 913 OD2 ASP A 58 -1.780 0.481 -12.057 1.00 0.92 O ATOM 0 H ASP A 58 -0.919 2.931 -7.570 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.822 2.906 -10.308 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.509 0.679 -9.875 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.875 0.245 -8.866 1.00 0.43 H new ATOM 918 N SER A 59 -4.211 2.285 -9.390 1.00 0.42 N ATOM 919 CA SER A 59 -5.550 2.443 -8.860 1.00 0.43 C ATOM 920 C SER A 59 -6.487 1.409 -9.481 1.00 0.46 C ATOM 921 O SER A 59 -6.660 1.365 -10.701 1.00 0.58 O ATOM 922 CB SER A 59 -6.056 3.865 -9.127 1.00 0.52 C ATOM 923 OG SER A 59 -5.799 4.262 -10.467 1.00 1.09 O ATOM 0 H SER A 59 -4.183 1.978 -10.362 1.00 0.42 H new ATOM 0 HA SER A 59 -5.528 2.282 -7.782 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.127 3.915 -8.930 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.573 4.560 -8.441 1.00 0.52 H new ATOM 0 HG SER A 59 -5.982 3.512 -11.071 1.00 1.09 H new ATOM 929 N VAL A 60 -7.073 0.573 -8.644 1.00 0.39 N ATOM 930 CA VAL A 60 -7.986 -0.461 -9.103 1.00 0.45 C ATOM 931 C VAL A 60 -9.426 -0.045 -8.835 1.00 0.38 C ATOM 932 O VAL A 60 -9.820 0.165 -7.687 1.00 0.39 O ATOM 933 CB VAL A 60 -7.695 -1.813 -8.417 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.650 -2.894 -8.900 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.255 -2.234 -8.658 1.00 1.11 C ATOM 0 H VAL A 60 -6.932 0.590 -7.634 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.838 -0.586 -10.176 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.848 -1.683 -7.346 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.419 -3.834 -8.398 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.675 -2.603 -8.671 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.541 -3.021 -9.977 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -6.068 -3.189 -8.167 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.080 -2.336 -9.729 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.582 -1.479 -8.251 1.00 1.11 H new ATOM 945 N LEU A 61 -10.197 0.096 -9.901 1.00 0.40 N ATOM 946 CA LEU A 61 -11.590 0.509 -9.799 1.00 0.39 C ATOM 947 C LEU A 61 -12.514 -0.675 -10.038 1.00 0.38 C ATOM 948 O LEU A 61 -12.434 -1.321 -11.085 1.00 0.57 O ATOM 949 CB LEU A 61 -11.921 1.602 -10.832 1.00 0.51 C ATOM 950 CG LEU A 61 -11.262 2.971 -10.624 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.478 3.453 -9.207 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.778 2.934 -10.961 1.00 1.34 C ATOM 0 H LEU A 61 -9.879 -0.071 -10.856 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.740 0.903 -8.794 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.637 1.235 -11.818 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.002 1.743 -10.843 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.736 3.676 -11.307 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -11.004 4.426 -9.077 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.547 3.541 -9.012 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -11.040 2.740 -8.509 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.344 3.921 -10.802 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.277 2.210 -10.319 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.649 2.645 -12.004 1.00 1.34 H new ATOM 964 N VAL A 62 -13.381 -0.979 -9.082 1.00 0.27 N ATOM 965 CA VAL A 62 -14.420 -1.967 -9.332 1.00 0.27 C ATOM 966 C VAL A 62 -15.788 -1.291 -9.320 1.00 0.26 C ATOM 967 O VAL A 62 -16.317 -0.943 -8.265 1.00 0.30 O ATOM 968 CB VAL A 62 -14.393 -3.100 -8.278 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.443 -4.156 -8.593 1.00 0.72 C ATOM 970 CG2 VAL A 62 -13.010 -3.733 -8.196 1.00 0.59 C ATOM 0 H VAL A 62 -13.388 -0.567 -8.149 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.232 -2.410 -10.310 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.626 -2.661 -7.308 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.406 -4.942 -7.839 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.432 -3.698 -8.591 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -15.244 -4.585 -9.575 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -13.017 -4.526 -7.449 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.743 -4.151 -9.167 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.279 -2.975 -7.914 1.00 0.59 H new ATOM 980 N GLY A 63 -16.314 -1.051 -10.512 1.00 0.28 N ATOM 981 CA GLY A 63 -17.651 -0.522 -10.666 1.00 0.33 C ATOM 982 C GLY A 63 -18.638 -1.582 -11.155 1.00 0.36 C ATOM 983 O GLY A 63 -18.415 -2.153 -12.224 1.00 0.42 O ATOM 0 H GLY A 63 -15.825 -1.218 -11.392 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.994 -0.121 -9.712 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.632 0.308 -11.372 1.00 0.33 H new ATOM 987 N PRO A 64 -19.717 -1.909 -10.423 1.00 0.39 N ATOM 988 CA PRO A 64 -19.924 -1.569 -9.028 1.00 0.39 C ATOM 989 C PRO A 64 -19.583 -2.759 -8.139 1.00 0.38 C ATOM 990 O PRO A 64 -19.395 -3.874 -8.629 1.00 0.41 O ATOM 991 CB PRO A 64 -21.419 -1.270 -8.989 1.00 0.48 C ATOM 992 CG PRO A 64 -22.020 -2.162 -10.032 1.00 0.55 C ATOM 993 CD PRO A 64 -20.897 -2.613 -10.945 1.00 0.48 C ATOM 0 HA PRO A 64 -19.306 -0.744 -8.673 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.837 -1.477 -8.004 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.617 -0.220 -9.205 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.506 -3.021 -9.569 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.784 -1.630 -10.598 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.765 -3.694 -10.912 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -21.094 -2.347 -11.984 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.477 -2.536 -6.849 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.102 -3.606 -5.943 1.00 0.40 C ATOM 1003 C VAL A 65 -20.328 -4.151 -5.210 1.00 0.41 C ATOM 1004 O VAL A 65 -20.919 -3.466 -4.381 1.00 0.48 O ATOM 1005 CB VAL A 65 -18.048 -3.135 -4.925 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.027 -4.230 -4.681 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.368 -1.862 -5.409 1.00 0.95 C ATOM 0 H VAL A 65 -19.643 -1.634 -6.403 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.666 -4.404 -6.543 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.549 -2.914 -3.982 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.287 -3.884 -3.959 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.529 -5.115 -4.290 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.530 -4.479 -5.618 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.626 -1.544 -4.676 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.877 -2.052 -6.363 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -18.113 -1.077 -5.535 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.736 -5.389 -5.527 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.901 -6.022 -4.922 1.00 0.48 C ATOM 1019 C PRO A 66 -21.581 -6.725 -3.612 1.00 0.39 C ATOM 1020 O PRO A 66 -20.426 -7.061 -3.339 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.349 -7.039 -5.978 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.220 -7.171 -6.959 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.099 -6.271 -6.506 1.00 0.46 C ATOM 0 HA PRO A 66 -22.664 -5.287 -4.664 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.575 -8.001 -5.517 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.258 -6.703 -6.477 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.880 -8.205 -7.011 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.551 -6.893 -7.960 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.283 -6.841 -6.061 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.677 -5.707 -7.338 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.619 -6.959 -2.820 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.476 -7.573 -1.511 1.00 0.36 C ATOM 1033 C ALA A 67 -21.906 -8.977 -1.631 1.00 0.34 C ATOM 1034 O ALA A 67 -22.395 -9.800 -2.408 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.815 -7.609 -0.789 1.00 0.40 C ATOM 0 H ALA A 67 -23.581 -6.728 -3.068 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.781 -6.968 -0.929 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.688 -8.072 0.190 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.188 -6.593 -0.664 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.529 -8.188 -1.375 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.866 -9.236 -0.869 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.219 -10.521 -0.906 1.00 0.33 C ATOM 1043 C GLY A 68 -18.744 -10.390 -0.640 1.00 0.27 C ATOM 1044 O GLY A 68 -18.202 -9.284 -0.651 1.00 0.26 O ATOM 0 H GLY A 68 -20.453 -8.570 -0.216 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.669 -11.180 -0.164 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.377 -10.984 -1.880 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.088 -11.503 -0.398 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.670 -11.483 -0.105 1.00 0.26 C ATOM 1050 C ARG A 69 -15.862 -11.466 -1.393 1.00 0.26 C ATOM 1051 O ARG A 69 -15.878 -12.425 -2.166 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.288 -12.682 0.753 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.863 -12.620 1.263 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.588 -13.741 2.247 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.589 -13.796 3.313 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.672 -14.781 4.206 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.817 -15.800 4.164 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.615 -14.750 5.136 1.00 2.78 N ATOM 0 H ARG A 69 -18.511 -12.431 -0.398 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.443 -10.575 0.454 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.969 -12.745 1.602 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.420 -13.594 0.171 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.170 -12.689 0.425 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.687 -11.658 1.744 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.572 -14.693 1.716 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.600 -13.604 2.685 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.264 -13.034 3.376 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -14.094 -15.829 3.446 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -14.885 -16.552 4.850 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -17.275 -13.973 5.167 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -16.681 -15.503 5.821 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.167 -10.365 -1.618 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.370 -10.189 -2.820 1.00 0.24 C ATOM 1074 C HIS A 70 -12.897 -10.386 -2.514 1.00 0.25 C ATOM 1075 O HIS A 70 -12.371 -9.813 -1.561 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.593 -8.799 -3.410 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.966 -8.593 -3.971 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.276 -8.794 -5.296 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.113 -8.202 -3.374 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.556 -8.539 -5.489 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.088 -8.176 -4.338 1.00 0.47 N ATOM 0 H HIS A 70 -15.139 -9.572 -0.977 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.683 -10.937 -3.548 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.411 -8.053 -2.636 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.859 -8.627 -4.198 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.239 -7.955 -2.330 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.080 -8.615 -6.430 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.064 -7.918 -4.189 1.00 0.47 H new ATOM 1090 N MET A 71 -12.242 -11.194 -3.319 1.00 0.33 N ATOM 1091 CA MET A 71 -10.834 -11.492 -3.136 1.00 0.38 C ATOM 1092 C MET A 71 -10.073 -11.160 -4.414 1.00 0.38 C ATOM 1093 O MET A 71 -10.255 -11.820 -5.440 1.00 0.48 O ATOM 1094 CB MET A 71 -10.673 -12.971 -2.770 1.00 0.47 C ATOM 1095 CG MET A 71 -9.240 -13.405 -2.526 1.00 0.60 C ATOM 1096 SD MET A 71 -9.120 -15.122 -1.978 1.00 0.80 S ATOM 1097 CE MET A 71 -9.935 -15.031 -0.388 1.00 1.80 C ATOM 0 H MET A 71 -12.668 -11.663 -4.118 1.00 0.33 H new ATOM 0 HA MET A 71 -10.426 -10.887 -2.326 1.00 0.38 H new ATOM 0 HB2 MET A 71 -11.259 -13.177 -1.874 1.00 0.47 H new ATOM 0 HB3 MET A 71 -11.092 -13.579 -3.572 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.665 -13.279 -3.443 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.790 -12.755 -1.775 1.00 0.60 H new ATOM 0 HE1 MET A 71 -10.699 -15.806 -0.326 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.203 -15.180 0.405 1.00 1.80 H new ATOM 0 HE3 MET A 71 -10.400 -14.052 -0.273 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.251 -10.121 -4.373 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.540 -9.689 -5.565 1.00 0.31 C ATOM 1109 C PHE A 72 -7.098 -9.308 -5.241 1.00 0.29 C ATOM 1110 O PHE A 72 -6.803 -8.775 -4.170 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.275 -8.520 -6.247 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.992 -7.155 -5.669 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.562 -6.744 -4.471 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.157 -6.275 -6.342 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.299 -5.488 -3.961 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.893 -5.018 -5.833 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.465 -4.625 -4.642 1.00 0.29 C ATOM 0 H PHE A 72 -9.062 -9.568 -3.537 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.515 -10.528 -6.260 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.008 -8.511 -7.304 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.348 -8.705 -6.191 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.217 -7.413 -3.933 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.707 -6.577 -7.276 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.747 -5.181 -3.028 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.240 -4.344 -6.367 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.261 -3.643 -4.242 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.208 -9.584 -6.180 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.796 -9.291 -6.009 1.00 0.29 C ATOM 1129 C VAL A 73 -4.453 -7.951 -6.646 1.00 0.30 C ATOM 1130 O VAL A 73 -4.664 -7.746 -7.844 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.909 -10.396 -6.626 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.434 -10.097 -6.405 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.265 -11.757 -6.049 1.00 1.00 C ATOM 0 H VAL A 73 -6.442 -10.014 -7.075 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.598 -9.249 -4.938 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.097 -10.415 -7.700 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.832 -10.890 -6.849 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.182 -9.145 -6.872 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.230 -10.042 -5.336 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.629 -12.520 -6.497 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.113 -11.746 -4.970 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.309 -11.982 -6.266 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.941 -7.049 -5.832 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.520 -5.734 -6.286 1.00 0.25 C ATOM 1145 C PHE A 74 -2.018 -5.768 -6.544 1.00 0.25 C ATOM 1146 O PHE A 74 -1.246 -6.148 -5.661 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.855 -4.693 -5.209 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.835 -3.253 -5.664 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.864 -2.823 -6.554 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.786 -2.339 -5.231 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.837 -1.516 -6.998 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.764 -1.031 -5.674 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.810 -0.583 -6.445 1.00 0.31 C ATOM 0 H PHE A 74 -3.804 -7.206 -4.834 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.039 -5.463 -7.205 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.845 -4.915 -4.810 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.147 -4.806 -4.388 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -2.118 -3.520 -6.905 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.553 -2.655 -4.539 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.115 -1.194 -7.734 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.557 -0.361 -5.375 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.743 0.471 -6.671 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.604 -5.394 -7.745 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.191 -5.424 -8.099 1.00 0.27 C ATOM 1165 C GLN A 75 0.255 -4.106 -8.714 1.00 0.32 C ATOM 1166 O GLN A 75 -0.225 -3.701 -9.775 1.00 0.41 O ATOM 1167 CB GLN A 75 0.107 -6.571 -9.069 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.146 -7.951 -8.487 1.00 0.49 C ATOM 1169 CD GLN A 75 0.234 -9.071 -9.439 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.367 -10.144 -9.422 1.00 1.14 O ATOM 1171 NE2 GLN A 75 1.232 -8.832 -10.278 1.00 1.12 N ATOM 0 H GLN A 75 -2.222 -5.068 -8.488 1.00 0.24 H new ATOM 0 HA GLN A 75 0.368 -5.584 -7.177 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.505 -6.446 -9.962 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.148 -6.506 -9.384 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.420 -8.059 -7.562 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.201 -8.043 -8.228 1.00 0.49 H new ATOM 0 HE21 GLN A 75 1.706 -7.929 -10.262 1.00 1.12 H new ATOM 0 HE22 GLN A 75 1.525 -9.551 -10.939 1.00 1.12 H new ATOM 1180 N ALA A 76 1.179 -3.445 -8.041 1.00 0.36 N ATOM 1181 CA ALA A 76 1.763 -2.217 -8.547 1.00 0.46 C ATOM 1182 C ALA A 76 3.279 -2.295 -8.466 1.00 0.40 C ATOM 1183 O ALA A 76 3.837 -2.435 -7.380 1.00 0.48 O ATOM 1184 CB ALA A 76 1.241 -1.021 -7.768 1.00 0.56 C ATOM 0 H ALA A 76 1.543 -3.741 -7.136 1.00 0.36 H new ATOM 0 HA ALA A 76 1.476 -2.091 -9.591 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.689 -0.108 -8.160 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.157 -0.966 -7.869 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.502 -1.130 -6.715 1.00 0.56 H new ATOM 1190 N ASP A 77 3.940 -2.220 -9.613 1.00 0.56 N ATOM 1191 CA ASP A 77 5.397 -2.332 -9.666 1.00 0.61 C ATOM 1192 C ASP A 77 6.074 -1.158 -8.973 1.00 0.43 C ATOM 1193 O ASP A 77 5.433 -0.147 -8.696 1.00 0.47 O ATOM 1194 CB ASP A 77 5.885 -2.457 -11.111 1.00 0.95 C ATOM 1195 CG ASP A 77 5.722 -3.865 -11.650 1.00 1.54 C ATOM 1196 OD1 ASP A 77 4.622 -4.193 -12.143 1.00 2.13 O ATOM 1197 OD2 ASP A 77 6.696 -4.649 -11.592 1.00 2.06 O ATOM 0 H ASP A 77 3.494 -2.082 -10.520 1.00 0.56 H new ATOM 0 HA ASP A 77 5.673 -3.240 -9.130 1.00 0.61 H new ATOM 0 HB2 ASP A 77 5.331 -1.762 -11.741 1.00 0.95 H new ATOM 0 HB3 ASP A 77 6.935 -2.168 -11.165 1.00 0.95 H new ATOM 1202 N ALA A 78 7.375 -1.313 -8.721 1.00 0.45 N ATOM 1203 CA ALA A 78 8.171 -0.379 -7.922 1.00 0.36 C ATOM 1204 C ALA A 78 7.860 1.092 -8.201 1.00 0.37 C ATOM 1205 O ALA A 78 7.729 1.509 -9.356 1.00 0.46 O ATOM 1206 CB ALA A 78 9.649 -0.648 -8.161 1.00 0.40 C ATOM 0 H ALA A 78 7.914 -2.104 -9.072 1.00 0.45 H new ATOM 0 HA ALA A 78 7.906 -0.553 -6.879 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.246 0.045 -7.568 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.885 -1.671 -7.869 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.878 -0.511 -9.218 1.00 0.40 H new ATOM 1212 N PRO A 79 7.741 1.891 -7.124 1.00 0.34 N ATOM 1213 CA PRO A 79 7.542 3.341 -7.213 1.00 0.43 C ATOM 1214 C PRO A 79 8.707 4.024 -7.926 1.00 0.41 C ATOM 1215 O PRO A 79 9.769 3.425 -8.096 1.00 0.47 O ATOM 1216 CB PRO A 79 7.492 3.798 -5.751 1.00 0.47 C ATOM 1217 CG PRO A 79 7.197 2.570 -4.964 1.00 0.53 C ATOM 1218 CD PRO A 79 7.801 1.430 -5.729 1.00 0.33 C ATOM 0 HA PRO A 79 6.646 3.593 -7.780 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.439 4.242 -5.446 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.722 4.555 -5.602 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.623 2.637 -3.963 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.122 2.433 -4.844 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.826 1.232 -5.414 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.240 0.507 -5.586 1.00 0.33 H new ATOM 1226 N ASN A 80 8.509 5.274 -8.332 1.00 0.43 N ATOM 1227 CA ASN A 80 9.562 6.046 -8.992 1.00 0.46 C ATOM 1228 C ASN A 80 10.793 6.142 -8.094 1.00 0.40 C ATOM 1229 O ASN A 80 10.749 6.789 -7.047 1.00 0.39 O ATOM 1230 CB ASN A 80 9.090 7.467 -9.327 1.00 0.56 C ATOM 1231 CG ASN A 80 7.848 7.524 -10.199 1.00 1.33 C ATOM 1232 OD1 ASN A 80 6.942 6.696 -10.085 1.00 2.19 O ATOM 1233 ND2 ASN A 80 7.801 8.510 -11.079 1.00 1.59 N ATOM 0 H ASN A 80 7.629 5.777 -8.216 1.00 0.43 H new ATOM 0 HA ASN A 80 9.811 5.526 -9.917 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.892 8.000 -8.397 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.898 7.996 -9.831 1.00 0.56 H new ATOM 0 HD21 ASN A 80 6.994 8.606 -11.695 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.572 9.175 -11.142 1.00 1.59 H new ATOM 1240 N PRO A 81 11.909 5.509 -8.493 1.00 0.41 N ATOM 1241 CA PRO A 81 13.143 5.496 -7.702 1.00 0.41 C ATOM 1242 C PRO A 81 13.772 6.880 -7.595 1.00 0.43 C ATOM 1243 O PRO A 81 14.447 7.190 -6.616 1.00 0.48 O ATOM 1244 CB PRO A 81 14.071 4.545 -8.470 1.00 0.47 C ATOM 1245 CG PRO A 81 13.183 3.806 -9.415 1.00 0.54 C ATOM 1246 CD PRO A 81 12.061 4.746 -9.740 1.00 0.48 C ATOM 0 HA PRO A 81 12.957 5.181 -6.675 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.843 5.097 -9.006 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.581 3.860 -7.792 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.725 3.517 -10.316 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.806 2.889 -8.962 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.305 5.392 -10.583 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.148 4.212 -10.002 1.00 0.48 H new ATOM 1254 N GLY A 82 13.517 7.718 -8.595 1.00 0.45 N ATOM 1255 CA GLY A 82 14.070 9.058 -8.604 1.00 0.49 C ATOM 1256 C GLY A 82 13.325 9.968 -7.657 1.00 0.48 C ATOM 1257 O GLY A 82 13.761 11.083 -7.372 1.00 0.51 O ATOM 0 H GLY A 82 12.935 7.491 -9.401 1.00 0.45 H new ATOM 0 HA2 GLY A 82 15.122 9.021 -8.323 1.00 0.49 H new ATOM 0 HA3 GLY A 82 14.024 9.465 -9.614 1.00 0.49 H new ATOM 1261 N LEU A 83 12.191 9.487 -7.172 1.00 0.46 N ATOM 1262 CA LEU A 83 11.402 10.226 -6.206 1.00 0.49 C ATOM 1263 C LEU A 83 11.751 9.774 -4.797 1.00 0.46 C ATOM 1264 O LEU A 83 11.415 10.441 -3.820 1.00 0.52 O ATOM 1265 CB LEU A 83 9.903 10.049 -6.472 1.00 0.52 C ATOM 1266 CG LEU A 83 9.307 10.958 -7.556 1.00 0.58 C ATOM 1267 CD1 LEU A 83 9.952 10.711 -8.910 1.00 1.60 C ATOM 1268 CD2 LEU A 83 7.801 10.762 -7.642 1.00 1.34 C ATOM 0 H LEU A 83 11.797 8.584 -7.435 1.00 0.46 H new ATOM 0 HA LEU A 83 11.637 11.286 -6.306 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.723 9.012 -6.754 1.00 0.52 H new ATOM 0 HB3 LEU A 83 9.364 10.224 -5.541 1.00 0.52 H new ATOM 0 HG LEU A 83 9.514 11.990 -7.274 1.00 0.58 H new ATOM 0 HD11 LEU A 83 9.505 11.372 -9.652 1.00 1.60 H new ATOM 0 HD12 LEU A 83 11.022 10.909 -8.845 1.00 1.60 H new ATOM 0 HD13 LEU A 83 9.793 9.674 -9.205 1.00 1.60 H new ATOM 0 HD21 LEU A 83 7.393 11.413 -8.415 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.583 9.723 -7.890 1.00 1.34 H new ATOM 0 HD23 LEU A 83 7.347 11.009 -6.682 1.00 1.34 H new ATOM 1280 N ILE A 84 12.428 8.635 -4.694 1.00 0.41 N ATOM 1281 CA ILE A 84 12.888 8.152 -3.406 1.00 0.40 C ATOM 1282 C ILE A 84 14.158 8.893 -2.990 1.00 0.46 C ATOM 1283 O ILE A 84 15.089 9.047 -3.783 1.00 0.52 O ATOM 1284 CB ILE A 84 13.146 6.630 -3.428 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.889 5.880 -3.865 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.591 6.144 -2.059 1.00 0.39 C ATOM 1287 CD1 ILE A 84 12.034 4.377 -3.787 1.00 0.33 C ATOM 0 H ILE A 84 12.667 8.036 -5.484 1.00 0.41 H new ATOM 0 HA ILE A 84 12.101 8.346 -2.678 1.00 0.40 H new ATOM 0 HB ILE A 84 13.941 6.430 -4.146 1.00 0.37 H new ATOM 0 HG12 ILE A 84 11.052 6.191 -3.239 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.643 6.162 -4.889 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.768 5.069 -2.094 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.511 6.654 -1.773 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.814 6.360 -1.326 1.00 0.39 H new ATOM 0 HD11 ILE A 84 11.107 3.905 -4.111 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.850 4.056 -4.435 1.00 0.33 H new ATOM 0 HD13 ILE A 84 12.250 4.085 -2.759 1.00 0.33 H new ATOM 1299 N PRO A 85 14.183 9.391 -1.745 1.00 0.48 N ATOM 1300 CA PRO A 85 15.300 10.167 -1.197 1.00 0.57 C ATOM 1301 C PRO A 85 16.627 9.425 -1.218 1.00 0.56 C ATOM 1302 O PRO A 85 16.674 8.202 -1.165 1.00 0.55 O ATOM 1303 CB PRO A 85 14.896 10.428 0.255 1.00 0.68 C ATOM 1304 CG PRO A 85 13.774 9.486 0.533 1.00 0.81 C ATOM 1305 CD PRO A 85 13.101 9.240 -0.775 1.00 0.50 C ATOM 0 HA PRO A 85 15.462 11.065 -1.793 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.732 10.253 0.932 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.583 11.463 0.395 1.00 0.68 H new ATOM 0 HG2 PRO A 85 14.145 8.555 0.961 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.077 9.913 1.255 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.658 8.245 -0.818 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.298 9.954 -0.954 1.00 0.50 H new ATOM 1313 N ASP A 86 17.699 10.188 -1.257 1.00 0.67 N ATOM 1314 CA ASP A 86 19.044 9.647 -1.264 1.00 0.76 C ATOM 1315 C ASP A 86 19.442 9.152 0.123 1.00 0.78 C ATOM 1316 O ASP A 86 20.089 8.116 0.262 1.00 0.86 O ATOM 1317 CB ASP A 86 20.011 10.729 -1.753 1.00 0.98 C ATOM 1318 CG ASP A 86 21.464 10.420 -1.465 1.00 1.52 C ATOM 1319 OD1 ASP A 86 21.985 9.418 -1.986 1.00 1.92 O ATOM 1320 OD2 ASP A 86 22.107 11.208 -0.745 1.00 2.29 O ATOM 0 H ASP A 86 17.663 11.207 -1.285 1.00 0.67 H new ATOM 0 HA ASP A 86 19.084 8.791 -1.938 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.882 10.860 -2.827 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.750 11.677 -1.283 1.00 0.98 H new ATOM 1325 N ALA A 87 19.021 9.869 1.155 1.00 0.83 N ATOM 1326 CA ALA A 87 19.456 9.556 2.512 1.00 0.99 C ATOM 1327 C ALA A 87 18.397 8.773 3.280 1.00 0.90 C ATOM 1328 O ALA A 87 18.677 8.204 4.330 1.00 1.07 O ATOM 1329 CB ALA A 87 19.815 10.835 3.257 1.00 1.25 C ATOM 0 H ALA A 87 18.385 10.664 1.083 1.00 0.83 H new ATOM 0 HA ALA A 87 20.341 8.924 2.439 1.00 0.99 H new ATOM 0 HB1 ALA A 87 20.138 10.588 4.268 1.00 1.25 H new ATOM 0 HB2 ALA A 87 20.622 11.347 2.733 1.00 1.25 H new ATOM 0 HB3 ALA A 87 18.942 11.486 3.304 1.00 1.25 H new ATOM 1335 N ASP A 88 17.187 8.734 2.746 1.00 0.76 N ATOM 1336 CA ASP A 88 16.060 8.156 3.462 1.00 0.78 C ATOM 1337 C ASP A 88 15.561 6.865 2.792 1.00 0.62 C ATOM 1338 O ASP A 88 14.742 6.139 3.356 1.00 0.64 O ATOM 1339 CB ASP A 88 14.959 9.217 3.539 1.00 0.99 C ATOM 1340 CG ASP A 88 13.730 8.778 4.297 1.00 1.41 C ATOM 1341 OD1 ASP A 88 13.735 8.864 5.542 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.745 8.377 3.647 1.00 1.94 O ATOM 0 H ASP A 88 16.959 9.095 1.820 1.00 0.76 H new ATOM 0 HA ASP A 88 16.368 7.869 4.467 1.00 0.78 H new ATOM 0 HB2 ASP A 88 15.364 10.111 4.012 1.00 0.99 H new ATOM 0 HB3 ASP A 88 14.667 9.496 2.527 1.00 0.99 H new ATOM 1347 N ALA A 89 16.092 6.566 1.602 1.00 0.54 N ATOM 1348 CA ALA A 89 15.690 5.377 0.841 1.00 0.49 C ATOM 1349 C ALA A 89 15.988 4.079 1.575 1.00 0.44 C ATOM 1350 O ALA A 89 15.330 3.075 1.346 1.00 0.51 O ATOM 1351 CB ALA A 89 16.395 5.344 -0.502 1.00 0.48 C ATOM 0 H ALA A 89 16.804 7.133 1.143 1.00 0.54 H new ATOM 0 HA ALA A 89 14.611 5.452 0.707 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.086 4.456 -1.054 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.133 6.235 -1.072 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.473 5.317 -0.346 1.00 0.48 H new ATOM 1357 N VAL A 90 17.005 4.094 2.420 1.00 0.41 N ATOM 1358 CA VAL A 90 17.428 2.901 3.142 1.00 0.43 C ATOM 1359 C VAL A 90 16.896 2.945 4.584 1.00 0.43 C ATOM 1360 O VAL A 90 17.620 2.695 5.549 1.00 0.49 O ATOM 1361 CB VAL A 90 18.965 2.754 3.115 1.00 0.49 C ATOM 1362 CG1 VAL A 90 19.409 1.422 3.710 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.455 2.874 1.685 1.00 0.54 C ATOM 0 H VAL A 90 17.559 4.926 2.625 1.00 0.41 H new ATOM 0 HA VAL A 90 17.010 2.025 2.647 1.00 0.43 H new ATOM 0 HB VAL A 90 19.398 3.548 3.723 1.00 0.49 H new ATOM 0 HG11 VAL A 90 20.496 1.352 3.675 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.074 1.356 4.745 1.00 0.56 H new ATOM 0 HG13 VAL A 90 18.974 0.604 3.136 1.00 0.56 H new ATOM 0 HG21 VAL A 90 20.540 2.771 1.662 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.003 2.089 1.078 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.175 3.848 1.285 1.00 0.54 H new ATOM 1373 N GLY A 91 15.635 3.317 4.727 1.00 0.42 N ATOM 1374 CA GLY A 91 15.072 3.531 6.047 1.00 0.46 C ATOM 1375 C GLY A 91 13.713 2.886 6.218 1.00 0.43 C ATOM 1376 O GLY A 91 13.574 1.674 6.091 1.00 0.62 O ATOM 0 H GLY A 91 14.989 3.475 3.954 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.755 3.132 6.797 1.00 0.46 H new ATOM 0 HA3 GLY A 91 14.986 4.602 6.231 1.00 0.46 H new ATOM 1380 N VAL A 92 12.711 3.694 6.522 1.00 0.40 N ATOM 1381 CA VAL A 92 11.361 3.194 6.721 1.00 0.38 C ATOM 1382 C VAL A 92 10.348 4.027 5.930 1.00 0.36 C ATOM 1383 O VAL A 92 10.209 5.231 6.140 1.00 0.55 O ATOM 1384 CB VAL A 92 10.985 3.165 8.225 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.149 4.532 8.871 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.567 2.649 8.416 1.00 1.23 C ATOM 0 H VAL A 92 12.808 4.703 6.637 1.00 0.40 H new ATOM 0 HA VAL A 92 11.332 2.170 6.348 1.00 0.38 H new ATOM 0 HB VAL A 92 11.673 2.481 8.721 1.00 0.50 H new ATOM 0 HG11 VAL A 92 10.876 4.472 9.925 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.187 4.854 8.783 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.502 5.252 8.369 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.324 2.637 9.479 1.00 1.23 H new ATOM 0 HG22 VAL A 92 8.869 3.301 7.892 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.490 1.638 8.015 1.00 1.23 H new ATOM 1396 N THR A 93 9.652 3.378 5.016 1.00 0.28 N ATOM 1397 CA THR A 93 8.646 4.033 4.209 1.00 0.28 C ATOM 1398 C THR A 93 7.290 3.396 4.455 1.00 0.27 C ATOM 1399 O THR A 93 7.198 2.350 5.092 1.00 0.41 O ATOM 1400 CB THR A 93 8.992 3.958 2.712 1.00 0.35 C ATOM 1401 OG1 THR A 93 9.791 2.799 2.447 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.726 5.204 2.266 1.00 0.59 C ATOM 0 H THR A 93 9.769 2.385 4.814 1.00 0.28 H new ATOM 0 HA THR A 93 8.615 5.084 4.498 1.00 0.28 H new ATOM 0 HB THR A 93 8.061 3.886 2.150 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.695 2.938 2.798 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.960 5.128 1.204 1.00 0.59 H new ATOM 0 HG22 THR A 93 9.097 6.078 2.437 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.650 5.305 2.835 1.00 0.59 H new ATOM 1410 N VAL A 94 6.234 4.032 3.989 1.00 0.25 N ATOM 1411 CA VAL A 94 4.907 3.466 4.132 1.00 0.25 C ATOM 1412 C VAL A 94 4.296 3.203 2.766 1.00 0.24 C ATOM 1413 O VAL A 94 4.310 4.068 1.893 1.00 0.28 O ATOM 1414 CB VAL A 94 3.965 4.390 4.938 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.638 3.700 5.224 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.623 4.845 6.231 1.00 0.32 C ATOM 0 H VAL A 94 6.267 4.933 3.512 1.00 0.25 H new ATOM 0 HA VAL A 94 5.017 2.530 4.679 1.00 0.25 H new ATOM 0 HB VAL A 94 3.765 5.273 4.331 1.00 0.30 H new ATOM 0 HG11 VAL A 94 1.994 4.371 5.792 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.152 3.441 4.283 1.00 0.36 H new ATOM 0 HG13 VAL A 94 2.817 2.793 5.802 1.00 0.36 H new ATOM 0 HG21 VAL A 94 3.939 5.494 6.779 1.00 0.32 H new ATOM 0 HG22 VAL A 94 4.865 3.975 6.842 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.537 5.393 6.001 1.00 0.32 H new ATOM 1426 N VAL A 95 3.798 2.001 2.578 1.00 0.22 N ATOM 1427 CA VAL A 95 3.018 1.674 1.407 1.00 0.22 C ATOM 1428 C VAL A 95 1.574 1.476 1.844 1.00 0.24 C ATOM 1429 O VAL A 95 1.237 0.508 2.526 1.00 0.34 O ATOM 1430 CB VAL A 95 3.562 0.424 0.664 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.736 -0.761 1.605 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.657 0.053 -0.500 1.00 0.60 C ATOM 0 H VAL A 95 3.922 1.226 3.230 1.00 0.22 H new ATOM 0 HA VAL A 95 3.086 2.493 0.691 1.00 0.22 H new ATOM 0 HB VAL A 95 4.546 0.681 0.272 1.00 0.26 H new ATOM 0 HG11 VAL A 95 4.118 -1.616 1.047 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.440 -0.498 2.394 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.774 -1.018 2.048 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.057 -0.825 -1.006 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.657 -0.167 -0.127 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.607 0.885 -1.202 1.00 0.60 H new ATOM 1442 N LEU A 96 0.728 2.423 1.489 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.614 2.447 2.028 1.00 0.26 C ATOM 1444 C LEU A 96 -1.659 2.239 0.948 1.00 0.24 C ATOM 1445 O LEU A 96 -1.659 2.906 -0.088 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.863 3.747 2.812 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.753 5.058 2.024 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -2.119 5.508 1.528 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.113 6.141 2.878 1.00 1.21 C ATOM 0 H LEU A 96 0.944 3.177 0.837 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.707 1.612 2.722 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.860 3.695 3.249 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.154 3.787 3.639 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.118 4.881 1.156 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -2.015 6.440 0.972 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.540 4.742 0.877 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.782 5.665 2.379 1.00 1.13 H new ATOM 0 HD21 LEU A 96 -0.043 7.064 2.303 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.722 6.312 3.766 1.00 1.21 H new ATOM 0 HD23 LEU A 96 0.886 5.824 3.179 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.531 1.281 1.194 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.664 1.044 0.329 1.00 0.24 C ATOM 1463 C ILE A 97 -4.878 1.761 0.886 1.00 0.26 C ATOM 1464 O ILE A 97 -5.506 1.294 1.839 1.00 0.28 O ATOM 1465 CB ILE A 97 -3.979 -0.458 0.192 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.747 -1.217 -0.303 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.153 -0.665 -0.755 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.940 -2.715 -0.328 1.00 0.30 C ATOM 0 H ILE A 97 -2.473 0.651 1.994 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.414 1.425 -0.661 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.252 -0.850 1.172 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.495 -0.873 -1.306 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.899 -0.977 0.338 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.366 -1.730 -0.843 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.031 -0.151 -0.364 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.904 -0.262 -1.737 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.029 -3.193 -0.689 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.162 -3.070 0.678 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.768 -2.964 -0.992 1.00 0.30 H new ATOM 1480 N THR A 98 -5.175 2.912 0.324 1.00 0.29 N ATOM 1481 CA THR A 98 -6.339 3.662 0.737 1.00 0.33 C ATOM 1482 C THR A 98 -7.453 3.438 -0.272 1.00 0.28 C ATOM 1483 O THR A 98 -7.196 3.258 -1.468 1.00 0.37 O ATOM 1484 CB THR A 98 -6.032 5.171 0.885 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.162 5.853 1.440 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.664 5.794 -0.452 1.00 1.07 C ATOM 0 H THR A 98 -4.628 3.348 -0.418 1.00 0.29 H new ATOM 0 HA THR A 98 -6.651 3.307 1.719 1.00 0.33 H new ATOM 0 HB THR A 98 -5.180 5.273 1.557 1.00 0.43 H new ATOM 0 HG1 THR A 98 -6.893 6.750 1.729 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.454 6.855 -0.314 1.00 1.07 H new ATOM 0 HG22 THR A 98 -4.780 5.298 -0.853 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.494 5.676 -1.149 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.677 3.405 0.206 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.803 3.174 -0.669 1.00 0.29 C ATOM 1496 C CYS A 99 -10.769 4.346 -0.621 1.00 0.31 C ATOM 1497 O CYS A 99 -11.300 4.696 0.440 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.507 1.867 -0.311 1.00 0.36 C ATOM 1499 SG CYS A 99 -11.648 1.291 -1.584 1.00 1.32 S ATOM 0 H CYS A 99 -8.917 3.534 1.189 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.431 3.086 -1.690 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -9.757 1.097 -0.132 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.054 2.002 0.622 1.00 0.36 H new ATOM 0 HG CYS A 99 -11.220 0.165 -2.073 1.00 1.32 H new ATOM 1505 N THR A 100 -10.982 4.942 -1.779 1.00 0.34 N ATOM 1506 CA THR A 100 -11.816 6.117 -1.911 1.00 0.38 C ATOM 1507 C THR A 100 -13.253 5.733 -2.257 1.00 0.37 C ATOM 1508 O THR A 100 -13.493 5.012 -3.228 1.00 0.41 O ATOM 1509 CB THR A 100 -11.277 7.032 -3.027 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.855 7.172 -2.912 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.923 8.406 -2.970 1.00 0.50 C ATOM 0 H THR A 100 -10.578 4.621 -2.659 1.00 0.34 H new ATOM 0 HA THR A 100 -11.800 6.639 -0.954 1.00 0.38 H new ATOM 0 HB THR A 100 -11.523 6.569 -3.983 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.485 7.466 -3.770 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.523 9.030 -3.769 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.001 8.306 -3.093 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.709 8.869 -2.007 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.199 6.201 -1.455 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.608 6.088 -1.798 1.00 0.40 C ATOM 1521 C TYR A 101 -16.270 7.453 -1.624 1.00 0.44 C ATOM 1522 O TYR A 101 -16.218 8.030 -0.541 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.317 5.036 -0.939 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.699 4.690 -1.447 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.876 3.764 -2.467 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.830 5.281 -0.894 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.141 3.437 -2.921 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.096 4.962 -1.345 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.237 4.065 -2.403 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.512 3.718 -2.807 1.00 0.65 O ATOM 0 H TYR A 101 -14.016 6.662 -0.564 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.690 5.763 -2.835 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.710 4.131 -0.909 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.394 5.403 0.085 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.013 3.292 -2.912 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.716 6.002 -0.098 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.262 2.684 -3.686 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.967 5.403 -0.883 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.167 4.270 -2.331 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.853 7.975 -2.703 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.483 9.307 -2.704 1.00 0.59 C ATOM 1542 C ARG A 102 -16.434 10.414 -2.555 1.00 0.57 C ATOM 1543 O ARG A 102 -16.775 11.566 -2.296 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.508 9.448 -1.560 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.698 8.500 -1.628 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.635 8.851 -2.769 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.944 8.209 -2.628 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.920 8.312 -3.531 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -22.718 8.976 -4.664 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -24.101 7.750 -3.310 1.00 2.45 N ATOM 0 H ARG A 102 -16.905 7.493 -3.601 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.994 9.410 -3.662 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -17.993 9.290 -0.612 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -18.881 10.472 -1.553 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.341 7.478 -1.752 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.244 8.535 -0.685 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.765 9.932 -2.810 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.184 8.548 -3.714 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.119 7.652 -1.792 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -21.813 9.410 -4.846 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -23.468 9.052 -5.351 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.267 7.235 -2.445 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -24.843 7.833 -4.005 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.161 10.069 -2.725 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.104 11.037 -2.502 1.00 0.53 C ATOM 1566 C GLY A 103 -13.704 11.058 -1.046 1.00 0.49 C ATOM 1567 O GLY A 103 -12.876 11.859 -0.614 1.00 0.57 O ATOM 0 H GLY A 103 -14.845 9.143 -3.011 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.240 10.789 -3.119 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.440 12.028 -2.807 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.321 10.166 -0.289 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.059 10.024 1.126 1.00 0.44 C ATOM 1573 C GLN A 104 -13.382 8.687 1.383 1.00 0.37 C ATOM 1574 O GLN A 104 -13.950 7.629 1.107 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.374 10.110 1.900 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.101 11.432 1.720 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.601 11.291 1.870 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.372 12.048 1.284 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -18.025 10.309 2.640 1.00 0.98 N ATOM 0 H GLN A 104 -15.022 9.517 -0.646 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.400 10.825 1.461 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.028 9.299 1.580 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.172 9.957 2.960 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.731 12.150 2.452 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.874 11.837 0.734 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.353 9.702 3.109 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.025 10.156 2.767 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.161 8.736 1.874 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.426 7.527 2.195 1.00 0.32 C ATOM 1590 C GLU A 105 -12.003 6.899 3.453 1.00 0.32 C ATOM 1591 O GLU A 105 -12.139 7.567 4.477 1.00 0.43 O ATOM 1592 CB GLU A 105 -9.951 7.856 2.389 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.302 8.458 1.154 1.00 0.49 C ATOM 1594 CD GLU A 105 -7.996 9.155 1.474 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -6.942 8.485 1.476 1.00 1.59 O ATOM 1596 OE2 GLU A 105 -8.020 10.376 1.743 1.00 1.28 O ATOM 0 H GLU A 105 -11.654 9.601 2.060 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.518 6.816 1.374 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.848 8.552 3.221 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.416 6.947 2.665 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.122 7.672 0.421 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -9.989 9.170 0.696 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.369 5.631 3.367 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.968 4.939 4.502 1.00 0.27 C ATOM 1605 C PHE A 106 -11.992 3.961 5.133 1.00 0.26 C ATOM 1606 O PHE A 106 -12.244 3.424 6.210 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.247 4.209 4.087 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.078 3.249 2.946 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.240 3.679 1.642 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.773 1.917 3.177 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.100 2.801 0.589 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.634 1.034 2.124 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.797 1.478 0.830 1.00 0.31 C ATOM 0 H PHE A 106 -12.264 5.060 2.528 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.222 5.696 5.244 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.634 3.664 4.948 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.999 4.949 3.813 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.479 4.714 1.447 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.643 1.566 4.190 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.228 3.150 -0.425 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.398 -0.003 2.315 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.687 0.790 0.005 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.893 3.706 4.451 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.859 2.843 4.985 1.00 0.24 C ATOM 1625 C ILE A 107 -8.515 3.171 4.356 1.00 0.22 C ATOM 1626 O ILE A 107 -8.445 3.583 3.197 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.168 1.341 4.793 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.181 0.503 5.617 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.116 0.954 3.319 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.274 -0.988 5.368 1.00 0.37 C ATOM 0 H ILE A 107 -10.693 4.085 3.525 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.824 3.033 6.058 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.180 1.142 5.146 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.167 0.835 5.395 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.355 0.695 6.676 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.337 -0.108 3.214 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.853 1.535 2.764 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.121 1.158 2.924 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.544 -1.507 5.989 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.276 -1.337 5.618 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.070 -1.195 4.318 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.464 2.997 5.129 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.120 3.176 4.647 1.00 0.24 C ATOM 1644 C ARG A 108 -5.200 2.158 5.307 1.00 0.24 C ATOM 1645 O ARG A 108 -4.928 2.235 6.510 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.661 4.590 4.952 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.199 4.841 4.666 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.788 6.173 5.245 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.231 6.302 6.632 1.00 0.60 N ATOM 1650 CZ ARG A 108 -4.281 7.463 7.289 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.978 8.597 6.666 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.650 7.491 8.563 1.00 0.95 N ATOM 0 H ARG A 108 -7.523 2.727 6.111 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.090 3.022 3.568 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.259 5.288 4.367 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.856 4.805 6.003 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.592 4.044 5.096 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.022 4.831 3.590 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.704 6.276 5.195 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.213 6.980 4.648 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.518 5.457 7.126 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.706 8.582 5.683 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -4.017 9.482 7.171 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.896 6.625 9.042 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -4.688 8.379 9.064 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.758 1.186 4.527 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.855 0.161 5.020 1.00 0.22 C ATOM 1668 C VAL A 109 -2.417 0.657 5.002 1.00 0.24 C ATOM 1669 O VAL A 109 -1.786 0.714 3.952 1.00 0.38 O ATOM 1670 CB VAL A 109 -3.962 -1.132 4.186 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -2.861 -2.111 4.562 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.328 -1.772 4.374 1.00 0.27 C ATOM 0 H VAL A 109 -5.012 1.086 3.544 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.147 -0.062 6.046 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.841 -0.871 3.135 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -2.957 -3.015 3.961 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -1.889 -1.654 4.377 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -2.947 -2.367 5.618 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.388 -2.683 3.779 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.474 -2.015 5.426 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.103 -1.077 4.052 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.914 1.023 6.166 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.559 1.511 6.269 1.00 0.25 C ATOM 1684 C GLY A 110 0.429 0.406 6.571 1.00 0.21 C ATOM 1685 O GLY A 110 0.676 0.081 7.730 1.00 0.27 O ATOM 0 H GLY A 110 -2.424 0.991 7.049 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.280 2.000 5.336 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.506 2.267 7.053 1.00 0.25 H new ATOM 1689 N TYR A 111 0.969 -0.191 5.528 1.00 0.23 N ATOM 1690 CA TYR A 111 2.032 -1.170 5.679 1.00 0.24 C ATOM 1691 C TYR A 111 3.377 -0.479 5.631 1.00 0.23 C ATOM 1692 O TYR A 111 3.683 0.240 4.683 1.00 0.27 O ATOM 1693 CB TYR A 111 1.959 -2.242 4.591 1.00 0.32 C ATOM 1694 CG TYR A 111 1.061 -3.403 4.945 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.263 -4.128 6.115 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.012 -3.774 4.118 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.446 -5.190 6.445 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.810 -4.836 4.442 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.589 -5.540 5.608 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.403 -6.599 5.934 1.00 0.40 O ATOM 0 H TYR A 111 0.690 -0.016 4.563 1.00 0.23 H new ATOM 0 HA TYR A 111 1.907 -1.660 6.645 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.602 -1.786 3.667 1.00 0.32 H new ATOM 0 HB3 TYR A 111 2.963 -2.617 4.394 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.072 -3.855 6.776 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.165 -3.224 3.206 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.618 -5.744 7.356 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.622 -5.114 3.786 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.455 -6.683 6.909 1.00 0.40 H new ATOM 1710 N TYR A 112 4.174 -0.677 6.657 1.00 0.25 N ATOM 1711 CA TYR A 112 5.483 -0.073 6.697 1.00 0.25 C ATOM 1712 C TYR A 112 6.485 -0.945 5.970 1.00 0.27 C ATOM 1713 O TYR A 112 6.682 -2.103 6.315 1.00 0.33 O ATOM 1714 CB TYR A 112 5.922 0.173 8.142 1.00 0.29 C ATOM 1715 CG TYR A 112 5.222 1.351 8.783 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.930 1.235 9.276 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.850 2.586 8.878 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.285 2.315 9.848 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.212 3.669 9.453 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.929 3.529 9.933 1.00 0.64 C ATOM 1721 OH TYR A 112 3.285 4.607 10.498 1.00 0.78 O ATOM 0 H TYR A 112 3.939 -1.248 7.469 1.00 0.25 H new ATOM 0 HA TYR A 112 5.436 0.892 6.192 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.727 -0.723 8.732 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.999 0.342 8.165 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.420 0.285 9.212 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.854 2.702 8.496 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.279 2.207 10.227 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.717 4.621 9.525 1.00 0.60 H new ATOM 0 HH TYR A 112 3.878 5.387 10.482 1.00 0.78 H new ATOM 1731 N VAL A 113 7.079 -0.399 4.933 1.00 0.27 N ATOM 1732 CA VAL A 113 8.154 -1.068 4.239 1.00 0.31 C ATOM 1733 C VAL A 113 9.487 -0.599 4.799 1.00 0.28 C ATOM 1734 O VAL A 113 9.814 0.589 4.756 1.00 0.31 O ATOM 1735 CB VAL A 113 8.094 -0.846 2.708 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.618 0.557 2.373 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.452 -1.109 2.074 1.00 1.19 C ATOM 0 H VAL A 113 6.833 0.514 4.550 1.00 0.27 H new ATOM 0 HA VAL A 113 8.044 -2.140 4.403 1.00 0.31 H new ATOM 0 HB VAL A 113 7.374 -1.554 2.298 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.587 0.682 1.291 1.00 0.96 H new ATOM 0 HG12 VAL A 113 6.621 0.711 2.785 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.305 1.286 2.803 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.389 -0.948 0.998 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.190 -0.429 2.500 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.751 -2.139 2.269 1.00 1.19 H new ATOM 1747 N ASN A 114 10.232 -1.529 5.360 1.00 0.29 N ATOM 1748 CA ASN A 114 11.527 -1.211 5.923 1.00 0.32 C ATOM 1749 C ASN A 114 12.597 -1.495 4.889 1.00 0.32 C ATOM 1750 O ASN A 114 12.686 -2.606 4.358 1.00 0.35 O ATOM 1751 CB ASN A 114 11.783 -2.022 7.196 1.00 0.42 C ATOM 1752 CG ASN A 114 12.855 -1.403 8.073 1.00 0.84 C ATOM 1753 OD1 ASN A 114 14.043 -1.663 7.905 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.436 -0.583 9.025 1.00 1.28 N ATOM 0 H ASN A 114 9.963 -2.510 5.438 1.00 0.29 H new ATOM 0 HA ASN A 114 11.551 -0.155 6.193 1.00 0.32 H new ATOM 0 HB2 ASN A 114 10.856 -2.104 7.764 1.00 0.42 H new ATOM 0 HB3 ASN A 114 12.080 -3.035 6.924 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.110 -0.142 9.651 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.440 -0.393 9.132 1.00 1.28 H new ATOM 1761 N ASN A 115 13.379 -0.482 4.580 1.00 0.34 N ATOM 1762 CA ASN A 115 14.377 -0.572 3.560 1.00 0.39 C ATOM 1763 C ASN A 115 15.733 -0.892 4.173 1.00 0.43 C ATOM 1764 O ASN A 115 16.359 -0.049 4.813 1.00 0.50 O ATOM 1765 CB ASN A 115 14.443 0.759 2.816 1.00 0.48 C ATOM 1766 CG ASN A 115 13.080 1.248 2.353 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.395 1.978 3.071 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.675 0.858 1.153 1.00 0.60 N ATOM 0 H ASN A 115 13.332 0.428 5.038 1.00 0.34 H new ATOM 0 HA ASN A 115 14.117 -1.372 2.867 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.891 1.511 3.466 1.00 0.48 H new ATOM 0 HB3 ASN A 115 15.098 0.654 1.951 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.769 1.163 0.796 1.00 0.60 H new ATOM 0 HD22 ASN A 115 13.269 0.253 0.586 1.00 0.60 H new ATOM 1775 N GLU A 116 16.168 -2.118 3.971 1.00 0.42 N ATOM 1776 CA GLU A 116 17.499 -2.557 4.375 1.00 0.50 C ATOM 1777 C GLU A 116 18.049 -3.478 3.304 1.00 0.45 C ATOM 1778 O GLU A 116 17.322 -4.307 2.777 1.00 0.54 O ATOM 1779 CB GLU A 116 17.482 -3.287 5.725 1.00 0.69 C ATOM 1780 CG GLU A 116 16.965 -2.443 6.877 1.00 1.26 C ATOM 1781 CD GLU A 116 17.463 -2.922 8.223 1.00 1.58 C ATOM 1782 OE1 GLU A 116 17.145 -4.061 8.616 1.00 1.87 O ATOM 1783 OE2 GLU A 116 18.205 -2.165 8.886 1.00 1.97 O ATOM 0 H GLU A 116 15.611 -2.845 3.521 1.00 0.42 H new ATOM 0 HA GLU A 116 18.130 -1.676 4.492 1.00 0.50 H new ATOM 0 HB2 GLU A 116 16.863 -4.180 5.636 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.493 -3.622 5.958 1.00 0.69 H new ATOM 0 HG2 GLU A 116 17.271 -1.407 6.729 1.00 1.26 H new ATOM 0 HG3 GLU A 116 15.875 -2.457 6.872 1.00 1.26 H new ATOM 1790 N TYR A 117 19.316 -3.315 2.961 1.00 0.46 N ATOM 1791 CA TYR A 117 19.919 -4.099 1.896 1.00 0.46 C ATOM 1792 C TYR A 117 19.924 -5.590 2.226 1.00 0.52 C ATOM 1793 O TYR A 117 19.758 -5.982 3.377 1.00 0.60 O ATOM 1794 CB TYR A 117 21.343 -3.627 1.637 1.00 0.48 C ATOM 1795 CG TYR A 117 21.442 -2.199 1.149 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.191 -1.877 -0.178 1.00 0.55 C ATOM 1797 CD2 TYR A 117 21.758 -1.168 2.022 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.255 -0.574 -0.617 1.00 0.61 C ATOM 1799 CE2 TYR A 117 21.818 0.135 1.588 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.679 0.407 0.240 1.00 0.60 C ATOM 1801 OH TYR A 117 21.624 1.720 -0.162 1.00 0.69 O ATOM 0 H TYR A 117 19.947 -2.647 3.404 1.00 0.46 H new ATOM 0 HA TYR A 117 19.316 -3.953 1.000 1.00 0.46 H new ATOM 0 HB2 TYR A 117 21.920 -3.726 2.557 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.804 -4.284 0.899 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.942 -2.662 -0.877 1.00 0.55 H new ATOM 0 HD2 TYR A 117 21.960 -1.393 3.059 1.00 0.54 H new ATOM 0 HE1 TYR A 117 20.973 -0.327 -1.630 1.00 0.61 H new ATOM 0 HE2 TYR A 117 21.972 0.938 2.293 1.00 0.59 H new ATOM 0 HH TYR A 117 22.218 2.260 0.401 1.00 0.69 H new ATOM 1811 N THR A 118 20.141 -6.407 1.212 1.00 0.54 N ATOM 1812 CA THR A 118 20.148 -7.851 1.371 1.00 0.65 C ATOM 1813 C THR A 118 21.488 -8.316 1.917 1.00 0.74 C ATOM 1814 O THR A 118 21.603 -9.389 2.506 1.00 0.84 O ATOM 1815 CB THR A 118 19.869 -8.544 0.026 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.547 -7.839 -1.025 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.378 -8.591 -0.270 1.00 0.77 C ATOM 0 H THR A 118 20.317 -6.091 0.258 1.00 0.54 H new ATOM 0 HA THR A 118 19.362 -8.120 2.077 1.00 0.65 H new ATOM 0 HB THR A 118 20.237 -9.568 0.085 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.371 -8.281 -1.882 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.212 -9.086 -1.227 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.868 -9.145 0.518 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.984 -7.576 -0.314 1.00 0.77 H new ATOM 1825 N GLU A 119 22.496 -7.486 1.721 1.00 0.78 N ATOM 1826 CA GLU A 119 23.834 -7.785 2.189 1.00 0.92 C ATOM 1827 C GLU A 119 24.099 -7.095 3.515 1.00 0.95 C ATOM 1828 O GLU A 119 23.854 -5.895 3.651 1.00 0.90 O ATOM 1829 CB GLU A 119 24.868 -7.333 1.163 1.00 1.00 C ATOM 1830 CG GLU A 119 24.789 -8.083 -0.152 1.00 1.29 C ATOM 1831 CD GLU A 119 25.803 -7.585 -1.154 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.997 -7.501 -0.809 1.00 1.67 O ATOM 1833 OE2 GLU A 119 25.411 -7.279 -2.299 1.00 2.24 O ATOM 0 H GLU A 119 22.410 -6.593 1.237 1.00 0.78 H new ATOM 0 HA GLU A 119 23.914 -8.863 2.327 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.736 -6.268 0.972 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.865 -7.460 1.585 1.00 1.00 H new ATOM 0 HG2 GLU A 119 24.950 -9.146 0.028 1.00 1.29 H new ATOM 0 HG3 GLU A 119 23.787 -7.978 -0.569 1.00 1.29 H new ATOM 1840 N THR A 120 24.606 -7.852 4.479 1.00 1.07 N ATOM 1841 CA THR A 120 24.962 -7.308 5.782 1.00 1.14 C ATOM 1842 C THR A 120 25.931 -6.135 5.621 1.00 1.12 C ATOM 1843 O THR A 120 25.831 -5.133 6.326 1.00 1.13 O ATOM 1844 CB THR A 120 25.605 -8.391 6.671 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.754 -9.547 6.710 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.831 -7.879 8.088 1.00 1.41 C ATOM 0 H THR A 120 24.781 -8.852 4.381 1.00 1.07 H new ATOM 0 HA THR A 120 24.048 -6.957 6.262 1.00 1.14 H new ATOM 0 HB THR A 120 26.573 -8.653 6.243 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.164 -10.236 7.274 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.285 -8.665 8.691 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.493 -7.014 8.061 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.876 -7.591 8.528 1.00 1.41 H new ATOM 1854 N GLU A 121 26.838 -6.264 4.656 1.00 1.13 N ATOM 1855 CA GLU A 121 27.808 -5.220 4.351 1.00 1.14 C ATOM 1856 C GLU A 121 27.113 -3.907 4.019 1.00 1.03 C ATOM 1857 O GLU A 121 27.460 -2.847 4.548 1.00 1.09 O ATOM 1858 CB GLU A 121 28.662 -5.650 3.172 1.00 1.18 C ATOM 1859 CG GLU A 121 29.790 -4.687 2.843 1.00 1.27 C ATOM 1860 CD GLU A 121 30.649 -5.178 1.701 1.00 1.56 C ATOM 1861 OE1 GLU A 121 30.308 -4.904 0.530 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.664 -5.854 1.965 1.00 2.05 O ATOM 0 H GLU A 121 26.920 -7.092 4.066 1.00 1.13 H new ATOM 0 HA GLU A 121 28.434 -5.067 5.230 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.086 -6.632 3.382 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.024 -5.760 2.295 1.00 1.18 H new ATOM 0 HG2 GLU A 121 29.371 -3.714 2.587 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.412 -4.544 3.727 1.00 1.27 H new ATOM 1869 N LEU A 122 26.123 -3.985 3.145 1.00 0.90 N ATOM 1870 CA LEU A 122 25.422 -2.797 2.693 1.00 0.82 C ATOM 1871 C LEU A 122 24.479 -2.271 3.771 1.00 0.82 C ATOM 1872 O LEU A 122 24.196 -1.078 3.821 1.00 0.83 O ATOM 1873 CB LEU A 122 24.655 -3.098 1.408 1.00 0.75 C ATOM 1874 CG LEU A 122 25.519 -3.482 0.210 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.649 -3.798 -0.992 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.497 -2.367 -0.121 1.00 0.87 C ATOM 0 H LEU A 122 25.788 -4.857 2.736 1.00 0.90 H new ATOM 0 HA LEU A 122 26.160 -2.021 2.489 1.00 0.82 H new ATOM 0 HB2 LEU A 122 23.953 -3.909 1.604 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.064 -2.222 1.143 1.00 0.75 H new ATOM 0 HG LEU A 122 26.089 -4.375 0.469 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.281 -4.070 -1.837 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.986 -4.629 -0.753 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.054 -2.922 -1.251 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.105 -2.658 -0.978 1.00 0.87 H new ATOM 0 HD22 LEU A 122 25.945 -1.458 -0.360 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.144 -2.184 0.737 1.00 0.87 H new ATOM 1888 N ARG A 123 24.003 -3.163 4.637 1.00 0.86 N ATOM 1889 CA ARG A 123 23.128 -2.764 5.739 1.00 0.94 C ATOM 1890 C ARG A 123 23.911 -1.944 6.747 1.00 1.11 C ATOM 1891 O ARG A 123 23.367 -1.061 7.409 1.00 1.19 O ATOM 1892 CB ARG A 123 22.517 -3.986 6.431 1.00 0.98 C ATOM 1893 CG ARG A 123 21.721 -4.874 5.497 1.00 0.89 C ATOM 1894 CD ARG A 123 21.192 -6.114 6.201 1.00 1.00 C ATOM 1895 NE ARG A 123 20.030 -5.827 7.040 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.316 -6.764 7.664 1.00 1.56 C ATOM 1897 NH1 ARG A 123 19.704 -8.032 7.643 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.222 -6.433 8.335 1.00 2.03 N ATOM 0 H ARG A 123 24.207 -4.162 4.598 1.00 0.86 H new ATOM 0 HA ARG A 123 22.317 -2.163 5.328 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.315 -4.573 6.886 1.00 0.98 H new ATOM 0 HB3 ARG A 123 21.869 -3.649 7.240 1.00 0.98 H new ATOM 0 HG2 ARG A 123 20.886 -4.308 5.083 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.350 -5.174 4.659 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.923 -6.864 5.457 1.00 1.00 H new ATOM 0 HD3 ARG A 123 21.983 -6.544 6.816 1.00 1.00 H new ATOM 0 HE ARG A 123 19.749 -4.853 7.155 1.00 1.20 H new ATOM 0 HH11 ARG A 123 20.555 -8.297 7.147 1.00 1.82 H new ATOM 0 HH12 ARG A 123 19.152 -8.742 8.123 1.00 1.82 H new ATOM 0 HH21 ARG A 123 17.924 -5.458 8.375 1.00 2.03 H new ATOM 0 HH22 ARG A 123 17.678 -7.153 8.811 1.00 2.03 H new ATOM 1912 N GLU A 124 25.194 -2.246 6.855 1.00 1.20 N ATOM 1913 CA GLU A 124 26.076 -1.523 7.750 1.00 1.39 C ATOM 1914 C GLU A 124 26.409 -0.146 7.195 1.00 1.37 C ATOM 1915 O GLU A 124 26.461 0.830 7.941 1.00 1.49 O ATOM 1916 CB GLU A 124 27.358 -2.321 7.996 1.00 1.53 C ATOM 1917 CG GLU A 124 27.132 -3.595 8.795 1.00 1.66 C ATOM 1918 CD GLU A 124 26.524 -3.322 10.154 1.00 2.03 C ATOM 1919 OE1 GLU A 124 25.289 -3.164 10.239 1.00 2.84 O ATOM 1920 OE2 GLU A 124 27.280 -3.259 11.145 1.00 2.06 O ATOM 0 H GLU A 124 25.649 -2.993 6.329 1.00 1.20 H new ATOM 0 HA GLU A 124 25.558 -1.390 8.700 1.00 1.39 H new ATOM 0 HB2 GLU A 124 27.807 -2.577 7.037 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.073 -1.691 8.525 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.477 -4.261 8.234 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.082 -4.114 8.922 1.00 1.66 H new ATOM 1927 N ASN A 125 26.629 -0.055 5.888 1.00 1.27 N ATOM 1928 CA ASN A 125 26.981 1.218 5.282 1.00 1.30 C ATOM 1929 C ASN A 125 26.282 1.388 3.945 1.00 1.14 C ATOM 1930 O ASN A 125 26.703 0.797 2.949 1.00 1.10 O ATOM 1931 CB ASN A 125 28.498 1.333 5.068 1.00 1.45 C ATOM 1932 CG ASN A 125 29.296 1.296 6.357 1.00 1.58 C ATOM 1933 OD1 ASN A 125 29.529 2.328 6.986 1.00 2.19 O ATOM 1934 ND2 ASN A 125 29.747 0.111 6.744 1.00 1.62 N ATOM 0 H ASN A 125 26.570 -0.838 5.237 1.00 1.27 H new ATOM 0 HA ASN A 125 26.657 2.001 5.967 1.00 1.30 H new ATOM 0 HB2 ASN A 125 28.828 0.519 4.422 1.00 1.45 H new ATOM 0 HB3 ASN A 125 28.713 2.264 4.543 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.309 0.031 7.591 1.00 1.62 H new ATOM 0 HD22 ASN A 125 29.532 -0.721 6.195 1.00 1.62 H new ATOM 1941 N PRO A 126 25.181 2.157 3.905 1.00 1.13 N ATOM 1942 CA PRO A 126 24.575 2.571 2.645 1.00 1.06 C ATOM 1943 C PRO A 126 25.588 3.290 1.774 1.00 1.09 C ATOM 1944 O PRO A 126 26.198 4.276 2.197 1.00 1.19 O ATOM 1945 CB PRO A 126 23.465 3.534 3.067 1.00 1.15 C ATOM 1946 CG PRO A 126 23.120 3.104 4.451 1.00 1.23 C ATOM 1947 CD PRO A 126 24.421 2.654 5.066 1.00 1.24 C ATOM 0 HA PRO A 126 24.207 1.727 2.062 1.00 1.06 H new ATOM 0 HB2 PRO A 126 23.805 4.569 3.044 1.00 1.15 H new ATOM 0 HB3 PRO A 126 22.604 3.466 2.402 1.00 1.15 H new ATOM 0 HG2 PRO A 126 22.680 3.924 5.019 1.00 1.23 H new ATOM 0 HG3 PRO A 126 22.390 2.295 4.441 1.00 1.23 H new ATOM 0 HD2 PRO A 126 24.937 3.474 5.565 1.00 1.24 H new ATOM 0 HD3 PRO A 126 24.267 1.874 5.812 1.00 1.24 H new ATOM 1955 N PRO A 127 25.806 2.780 0.564 1.00 1.05 N ATOM 1956 CA PRO A 127 26.702 3.396 -0.417 1.00 1.13 C ATOM 1957 C PRO A 127 26.292 4.835 -0.722 1.00 1.19 C ATOM 1958 O PRO A 127 25.197 5.255 -0.341 1.00 1.14 O ATOM 1959 CB PRO A 127 26.552 2.485 -1.640 1.00 1.11 C ATOM 1960 CG PRO A 127 26.127 1.179 -1.061 1.00 1.01 C ATOM 1961 CD PRO A 127 25.198 1.544 0.050 1.00 0.97 C ATOM 0 HA PRO A 127 27.733 3.473 -0.071 1.00 1.13 H new ATOM 0 HB2 PRO A 127 25.811 2.873 -2.339 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.490 2.393 -2.188 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.629 0.558 -1.806 1.00 1.01 H new ATOM 0 HG3 PRO A 127 26.982 0.612 -0.693 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.181 1.707 -0.306 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.148 0.766 0.812 1.00 0.97 H new ATOM 1969 N VAL A 128 27.188 5.592 -1.370 1.00 1.34 N ATOM 1970 CA VAL A 128 26.961 7.017 -1.662 1.00 1.44 C ATOM 1971 C VAL A 128 25.538 7.270 -2.174 1.00 1.22 C ATOM 1972 O VAL A 128 24.934 8.301 -1.882 1.00 1.28 O ATOM 1973 CB VAL A 128 27.991 7.560 -2.685 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.950 6.770 -3.984 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.761 9.040 -2.956 1.00 2.16 C ATOM 0 H VAL A 128 28.084 5.239 -1.705 1.00 1.34 H new ATOM 0 HA VAL A 128 27.090 7.552 -0.721 1.00 1.44 H new ATOM 0 HB VAL A 128 28.982 7.439 -2.247 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.684 7.176 -4.680 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.182 5.724 -3.781 1.00 1.92 H new ATOM 0 HG13 VAL A 128 26.955 6.843 -4.423 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.497 9.397 -3.677 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.759 9.185 -3.359 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.863 9.600 -2.027 1.00 2.16 H new ATOM 1985 N LYS A 129 25.022 6.325 -2.938 1.00 1.07 N ATOM 1986 CA LYS A 129 23.632 6.330 -3.351 1.00 0.88 C ATOM 1987 C LYS A 129 23.030 4.971 -3.030 1.00 0.76 C ATOM 1988 O LYS A 129 23.660 3.948 -3.305 1.00 0.80 O ATOM 1989 CB LYS A 129 23.525 6.621 -4.851 1.00 1.00 C ATOM 1990 CG LYS A 129 23.980 8.018 -5.227 1.00 1.12 C ATOM 1991 CD LYS A 129 22.878 9.038 -5.009 1.00 1.29 C ATOM 1992 CE LYS A 129 23.445 10.411 -4.694 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.053 10.449 -3.338 1.00 1.96 N ATOM 0 H LYS A 129 25.557 5.531 -3.290 1.00 1.07 H new ATOM 0 HA LYS A 129 23.088 7.110 -2.818 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.123 5.892 -5.399 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.491 6.486 -5.167 1.00 1.00 H new ATOM 0 HG2 LYS A 129 24.852 8.290 -4.633 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.289 8.032 -6.272 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.254 9.097 -5.901 1.00 1.29 H new ATOM 0 HD3 LYS A 129 22.236 8.712 -4.191 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.196 10.676 -5.439 1.00 1.46 H new ATOM 0 HE3 LYS A 129 22.653 11.157 -4.760 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.807 11.346 -2.872 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 23.691 9.655 -2.773 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 25.087 10.373 -3.419 1.00 1.96 H new ATOM 2007 N PRO A 130 21.837 4.926 -2.413 1.00 0.66 N ATOM 2008 CA PRO A 130 21.162 3.666 -2.118 1.00 0.57 C ATOM 2009 C PRO A 130 20.991 2.810 -3.360 1.00 0.52 C ATOM 2010 O PRO A 130 20.942 3.315 -4.485 1.00 0.64 O ATOM 2011 CB PRO A 130 19.799 4.087 -1.555 1.00 0.55 C ATOM 2012 CG PRO A 130 19.654 5.517 -1.960 1.00 0.64 C ATOM 2013 CD PRO A 130 21.049 6.070 -1.944 1.00 0.71 C ATOM 0 HA PRO A 130 21.736 3.054 -1.422 1.00 0.57 H new ATOM 0 HB2 PRO A 130 18.995 3.475 -1.963 1.00 0.55 H new ATOM 0 HB3 PRO A 130 19.765 3.976 -0.471 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.207 5.603 -2.950 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.007 6.059 -1.270 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.153 6.934 -2.601 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.349 6.390 -0.946 1.00 0.71 H new ATOM 2021 N ASP A 131 20.892 1.515 -3.158 1.00 0.45 N ATOM 2022 CA ASP A 131 20.833 0.592 -4.279 1.00 0.45 C ATOM 2023 C ASP A 131 19.496 -0.108 -4.278 1.00 0.39 C ATOM 2024 O ASP A 131 19.247 -0.984 -3.460 1.00 0.39 O ATOM 2025 CB ASP A 131 21.967 -0.434 -4.225 1.00 0.53 C ATOM 2026 CG ASP A 131 22.086 -1.218 -5.521 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.213 -2.073 -5.782 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.047 -0.980 -6.282 1.00 1.06 O ATOM 0 H ASP A 131 20.851 1.076 -2.238 1.00 0.45 H new ATOM 0 HA ASP A 131 20.952 1.162 -5.201 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.909 0.076 -4.022 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.793 -1.123 -3.399 1.00 0.53 H new ATOM 2033 N PHE A 132 18.645 0.286 -5.202 1.00 0.38 N ATOM 2034 CA PHE A 132 17.259 -0.155 -5.215 1.00 0.35 C ATOM 2035 C PHE A 132 17.150 -1.637 -5.581 1.00 0.37 C ATOM 2036 O PHE A 132 16.119 -2.270 -5.352 1.00 0.38 O ATOM 2037 CB PHE A 132 16.464 0.717 -6.191 1.00 0.38 C ATOM 2038 CG PHE A 132 16.521 2.187 -5.857 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.605 2.963 -6.240 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.482 2.794 -5.167 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.649 4.310 -5.940 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.521 4.140 -4.868 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.646 4.893 -5.231 1.00 0.46 C ATOM 0 H PHE A 132 18.889 0.918 -5.964 1.00 0.38 H new ATOM 0 HA PHE A 132 16.841 -0.045 -4.214 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.848 0.565 -7.200 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.424 0.392 -6.194 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.423 2.509 -6.779 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.631 2.205 -4.860 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.487 4.905 -6.271 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.692 4.609 -4.359 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.716 5.933 -4.948 1.00 0.46 H new ATOM 2053 N SER A 133 18.224 -2.179 -6.134 1.00 0.42 N ATOM 2054 CA SER A 133 18.282 -3.592 -6.499 1.00 0.47 C ATOM 2055 C SER A 133 18.786 -4.452 -5.336 1.00 0.48 C ATOM 2056 O SER A 133 18.444 -5.633 -5.233 1.00 0.62 O ATOM 2057 CB SER A 133 19.187 -3.787 -7.718 1.00 0.54 C ATOM 2058 OG SER A 133 18.647 -3.149 -8.864 1.00 1.46 O ATOM 0 H SER A 133 19.076 -1.659 -6.343 1.00 0.42 H new ATOM 0 HA SER A 133 17.269 -3.912 -6.744 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.178 -3.384 -7.507 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.311 -4.852 -7.916 1.00 0.54 H new ATOM 0 HG SER A 133 17.753 -2.805 -8.656 1.00 1.46 H new ATOM 2064 N LYS A 134 19.586 -3.866 -4.453 1.00 0.40 N ATOM 2065 CA LYS A 134 20.132 -4.601 -3.318 1.00 0.43 C ATOM 2066 C LYS A 134 19.310 -4.321 -2.092 1.00 0.39 C ATOM 2067 O LYS A 134 19.369 -5.049 -1.104 1.00 0.46 O ATOM 2068 CB LYS A 134 21.587 -4.214 -3.052 1.00 0.48 C ATOM 2069 CG LYS A 134 22.571 -4.882 -3.993 1.00 0.65 C ATOM 2070 CD LYS A 134 22.562 -6.391 -3.822 1.00 0.78 C ATOM 2071 CE LYS A 134 23.355 -7.081 -4.918 1.00 1.00 C ATOM 2072 NZ LYS A 134 22.721 -6.895 -6.251 1.00 1.87 N ATOM 0 H LYS A 134 19.870 -2.888 -4.500 1.00 0.40 H new ATOM 0 HA LYS A 134 20.098 -5.664 -3.557 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.689 -3.132 -3.140 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.843 -4.476 -2.025 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.321 -4.629 -5.023 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.574 -4.499 -3.805 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.981 -6.650 -2.850 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.534 -6.753 -3.833 1.00 0.78 H new ATOM 0 HE2 LYS A 134 24.370 -6.684 -4.938 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.433 -8.145 -4.697 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 23.079 -7.616 -6.909 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 21.689 -6.990 -6.161 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 22.951 -5.949 -6.616 1.00 1.87 H new ATOM 2086 N LEU A 135 18.557 -3.248 -2.170 1.00 0.41 N ATOM 2087 CA LEU A 135 17.707 -2.827 -1.090 1.00 0.40 C ATOM 2088 C LEU A 135 16.533 -3.786 -0.954 1.00 0.41 C ATOM 2089 O LEU A 135 15.652 -3.843 -1.815 1.00 0.46 O ATOM 2090 CB LEU A 135 17.244 -1.388 -1.348 1.00 0.41 C ATOM 2091 CG LEU A 135 16.508 -0.712 -0.202 1.00 0.36 C ATOM 2092 CD1 LEU A 135 15.025 -0.982 -0.293 1.00 0.79 C ATOM 2093 CD2 LEU A 135 17.088 -1.164 1.124 1.00 0.74 C ATOM 0 H LEU A 135 18.520 -2.643 -2.990 1.00 0.41 H new ATOM 0 HA LEU A 135 18.254 -2.844 -0.147 1.00 0.40 H new ATOM 0 HB2 LEU A 135 18.117 -0.786 -1.599 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.594 -1.387 -2.223 1.00 0.41 H new ATOM 0 HG LEU A 135 16.643 0.367 -0.273 1.00 0.36 H new ATOM 0 HD11 LEU A 135 14.514 -0.491 0.535 1.00 0.79 H new ATOM 0 HD12 LEU A 135 14.642 -0.594 -1.237 1.00 0.79 H new ATOM 0 HD13 LEU A 135 14.847 -2.056 -0.243 1.00 0.79 H new ATOM 0 HD21 LEU A 135 16.555 -0.675 1.940 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.982 -2.245 1.218 1.00 0.74 H new ATOM 0 HD23 LEU A 135 18.144 -0.897 1.169 1.00 0.74 H new ATOM 2105 N GLN A 136 16.555 -4.559 0.118 1.00 0.40 N ATOM 2106 CA GLN A 136 15.498 -5.501 0.403 1.00 0.41 C ATOM 2107 C GLN A 136 14.317 -4.777 1.019 1.00 0.38 C ATOM 2108 O GLN A 136 14.425 -4.166 2.084 1.00 0.44 O ATOM 2109 CB GLN A 136 15.996 -6.597 1.349 1.00 0.46 C ATOM 2110 CG GLN A 136 14.937 -7.626 1.695 1.00 0.58 C ATOM 2111 CD GLN A 136 15.420 -8.663 2.690 1.00 0.79 C ATOM 2112 OE1 GLN A 136 16.598 -9.022 2.717 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.512 -9.136 3.529 1.00 0.72 N ATOM 0 H GLN A 136 17.305 -4.548 0.810 1.00 0.40 H new ATOM 0 HA GLN A 136 15.184 -5.968 -0.530 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.846 -7.102 0.891 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.357 -6.136 2.268 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.064 -7.117 2.104 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.615 -8.128 0.783 1.00 0.58 H new ATOM 0 HE21 GLN A 136 13.547 -8.811 3.472 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.778 -9.825 4.233 1.00 0.72 H new ATOM 2122 N ARG A 137 13.201 -4.823 0.327 1.00 0.36 N ATOM 2123 CA ARG A 137 11.967 -4.315 0.863 1.00 0.35 C ATOM 2124 C ARG A 137 11.404 -5.322 1.855 1.00 0.35 C ATOM 2125 O ARG A 137 10.987 -6.420 1.470 1.00 0.39 O ATOM 2126 CB ARG A 137 10.966 -4.086 -0.269 1.00 0.43 C ATOM 2127 CG ARG A 137 9.541 -3.888 0.213 1.00 1.02 C ATOM 2128 CD ARG A 137 8.532 -4.158 -0.889 1.00 1.29 C ATOM 2129 NE ARG A 137 8.696 -5.486 -1.494 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.676 -6.654 -0.833 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.460 -6.690 0.470 1.00 2.82 N ATOM 2132 NH2 ARG A 137 8.874 -7.787 -1.490 1.00 2.05 N ATOM 0 H ARG A 137 13.127 -5.210 -0.614 1.00 0.36 H new ATOM 0 HA ARG A 137 12.150 -3.367 1.369 1.00 0.35 H new ATOM 0 HB2 ARG A 137 11.272 -3.211 -0.842 1.00 0.43 H new ATOM 0 HB3 ARG A 137 10.996 -4.938 -0.948 1.00 0.43 H new ATOM 0 HG2 ARG A 137 9.346 -4.552 1.055 1.00 1.02 H new ATOM 0 HG3 ARG A 137 9.418 -2.868 0.577 1.00 1.02 H new ATOM 0 HD2 ARG A 137 7.524 -4.070 -0.483 1.00 1.29 H new ATOM 0 HD3 ARG A 137 8.632 -3.396 -1.662 1.00 1.29 H new ATOM 0 HE ARG A 137 8.837 -5.524 -2.503 1.00 1.00 H new ATOM 0 HH11 ARG A 137 8.306 -5.823 0.986 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.447 -7.584 0.960 1.00 2.82 H new ATOM 0 HH21 ARG A 137 9.041 -7.771 -2.496 1.00 2.05 H new ATOM 0 HH22 ARG A 137 8.859 -8.676 -0.990 1.00 2.05 H new ATOM 2146 N ASN A 138 11.438 -4.970 3.127 1.00 0.35 N ATOM 2147 CA ASN A 138 10.826 -5.791 4.158 1.00 0.39 C ATOM 2148 C ASN A 138 9.523 -5.154 4.613 1.00 0.39 C ATOM 2149 O ASN A 138 9.523 -4.199 5.382 1.00 0.49 O ATOM 2150 CB ASN A 138 11.771 -5.980 5.349 1.00 0.45 C ATOM 2151 CG ASN A 138 11.144 -6.810 6.458 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.213 -8.038 6.442 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.532 -6.146 7.427 1.00 0.67 N ATOM 0 H ASN A 138 11.883 -4.120 3.472 1.00 0.35 H new ATOM 0 HA ASN A 138 10.619 -6.775 3.738 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.687 -6.464 5.010 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.053 -5.004 5.744 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.096 -6.654 8.197 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.497 -5.127 7.404 1.00 0.67 H new ATOM 2160 N ILE A 139 8.419 -5.664 4.100 1.00 0.37 N ATOM 2161 CA ILE A 139 7.108 -5.150 4.445 1.00 0.36 C ATOM 2162 C ILE A 139 6.674 -5.691 5.797 1.00 0.37 C ATOM 2163 O ILE A 139 6.479 -6.892 5.965 1.00 0.46 O ATOM 2164 CB ILE A 139 6.076 -5.530 3.362 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.545 -5.019 2.010 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.705 -4.965 3.672 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.608 -5.361 0.869 1.00 0.48 C ATOM 0 H ILE A 139 8.405 -6.440 3.438 1.00 0.37 H new ATOM 0 HA ILE A 139 7.165 -4.063 4.502 1.00 0.36 H new ATOM 0 HB ILE A 139 5.994 -6.617 3.343 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.660 -3.936 2.061 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.530 -5.435 1.796 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.006 -5.254 2.887 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.358 -5.356 4.628 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.763 -3.878 3.724 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.009 -4.963 -0.063 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.511 -6.444 0.790 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.628 -4.922 1.059 1.00 0.48 H new ATOM 2179 N LEU A 140 6.575 -4.801 6.766 1.00 0.35 N ATOM 2180 CA LEU A 140 6.140 -5.160 8.101 1.00 0.39 C ATOM 2181 C LEU A 140 4.667 -5.545 8.104 1.00 0.36 C ATOM 2182 O LEU A 140 3.794 -4.716 8.346 1.00 0.37 O ATOM 2183 CB LEU A 140 6.393 -4.011 9.088 1.00 0.47 C ATOM 2184 CG LEU A 140 7.863 -3.764 9.450 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.636 -3.175 8.287 1.00 0.88 C ATOM 2186 CD2 LEU A 140 7.978 -2.863 10.667 1.00 0.99 C ATOM 0 H LEU A 140 6.793 -3.811 6.650 1.00 0.35 H new ATOM 0 HA LEU A 140 6.724 -6.023 8.422 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.982 -3.094 8.665 1.00 0.47 H new ATOM 0 HB3 LEU A 140 5.840 -4.214 10.005 1.00 0.47 H new ATOM 0 HG LEU A 140 8.303 -4.733 9.688 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.673 -3.015 8.583 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.602 -3.863 7.442 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.190 -2.223 7.998 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.030 -2.703 10.903 1.00 0.99 H new ATOM 0 HD22 LEU A 140 7.504 -1.904 10.456 1.00 0.99 H new ATOM 0 HD23 LEU A 140 7.483 -3.334 11.516 1.00 0.99 H new ATOM 2198 N ALA A 141 4.403 -6.807 7.804 1.00 0.39 N ATOM 2199 CA ALA A 141 3.054 -7.341 7.843 1.00 0.42 C ATOM 2200 C ALA A 141 2.686 -7.693 9.278 1.00 0.49 C ATOM 2201 O ALA A 141 1.515 -7.859 9.615 1.00 0.55 O ATOM 2202 CB ALA A 141 2.938 -8.559 6.938 1.00 0.48 C ATOM 0 H ALA A 141 5.114 -7.485 7.529 1.00 0.39 H new ATOM 0 HA ALA A 141 2.358 -6.586 7.478 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.920 -8.947 6.979 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.177 -8.275 5.913 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.633 -9.329 7.273 1.00 0.48 H new ATOM 2208 N SER A 142 3.709 -7.809 10.121 1.00 0.52 N ATOM 2209 CA SER A 142 3.511 -8.028 11.543 1.00 0.62 C ATOM 2210 C SER A 142 3.160 -6.703 12.220 1.00 0.61 C ATOM 2211 O SER A 142 2.754 -6.668 13.384 1.00 0.70 O ATOM 2212 CB SER A 142 4.773 -8.637 12.166 1.00 0.72 C ATOM 2213 OG SER A 142 4.503 -9.205 13.437 1.00 1.42 O ATOM 0 H SER A 142 4.687 -7.754 9.837 1.00 0.52 H new ATOM 0 HA SER A 142 2.688 -8.728 11.690 1.00 0.62 H new ATOM 0 HB2 SER A 142 5.175 -9.403 11.502 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.539 -7.868 12.265 1.00 0.72 H new ATOM 0 HG SER A 142 3.859 -8.643 13.916 1.00 1.42 H new ATOM 2219 N ASN A 143 3.320 -5.611 11.474 1.00 0.56 N ATOM 2220 CA ASN A 143 2.929 -4.288 11.945 1.00 0.60 C ATOM 2221 C ASN A 143 1.905 -3.684 10.982 1.00 0.49 C ATOM 2222 O ASN A 143 2.232 -2.819 10.169 1.00 0.49 O ATOM 2223 CB ASN A 143 4.163 -3.377 12.063 1.00 0.74 C ATOM 2224 CG ASN A 143 3.841 -1.967 12.544 1.00 1.25 C ATOM 2225 OD1 ASN A 143 4.505 -1.003 12.152 1.00 1.87 O ATOM 2226 ND2 ASN A 143 2.841 -1.830 13.403 1.00 1.91 N ATOM 0 H ASN A 143 3.720 -5.620 10.536 1.00 0.56 H new ATOM 0 HA ASN A 143 2.477 -4.378 12.933 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.875 -3.832 12.751 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.653 -3.317 11.091 1.00 0.74 H new ATOM 0 HD21 ASN A 143 2.599 -0.906 13.761 1.00 1.91 H new ATOM 0 HD22 ASN A 143 2.313 -2.649 13.706 1.00 1.91 H new ATOM 2233 N PRO A 144 0.651 -4.168 11.030 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.402 -3.708 10.144 1.00 0.43 C ATOM 2235 C PRO A 144 -1.112 -2.476 10.689 1.00 0.39 C ATOM 2236 O PRO A 144 -1.896 -2.561 11.638 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.368 -4.903 10.075 1.00 0.52 C ATOM 2238 CG PRO A 144 -0.922 -5.873 11.133 1.00 0.66 C ATOM 2239 CD PRO A 144 0.151 -5.195 11.943 1.00 0.60 C ATOM 0 HA PRO A 144 -0.014 -3.408 9.171 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.395 -4.582 10.250 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.343 -5.366 9.089 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.760 -6.159 11.769 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.540 -6.787 10.679 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.249 -4.761 12.859 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.936 -5.892 12.236 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.832 -1.331 10.094 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.465 -0.092 10.507 1.00 0.33 C ATOM 2249 C ARG A 145 -2.744 0.135 9.719 1.00 0.30 C ATOM 2250 O ARG A 145 -2.775 0.896 8.758 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.493 1.075 10.326 1.00 0.41 C ATOM 2252 CG ARG A 145 0.470 1.238 11.491 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.202 1.897 12.687 1.00 1.21 C ATOM 2254 NE ARG A 145 0.044 3.339 12.723 1.00 1.63 N ATOM 2255 CZ ARG A 145 -0.899 4.270 12.855 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -2.180 3.925 12.937 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -0.553 5.552 12.904 1.00 3.15 N ATOM 0 H ARG A 145 -0.171 -1.233 9.324 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.728 -0.159 11.563 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.078 0.925 9.409 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -1.061 1.997 10.201 1.00 0.41 H new ATOM 0 HG2 ARG A 145 0.857 0.262 11.783 1.00 0.98 H new ATOM 0 HG3 ARG A 145 1.324 1.838 11.177 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.276 1.712 12.648 1.00 1.21 H new ATOM 0 HD3 ARG A 145 0.166 1.442 13.607 1.00 1.21 H new ATOM 0 HE ARG A 145 1.010 3.655 12.641 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.447 2.941 12.899 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -2.896 4.644 13.038 1.00 3.00 H new ATOM 0 HH21 ARG A 145 0.430 5.818 12.841 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -1.270 6.270 13.005 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.805 -0.538 10.129 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.074 -0.427 9.436 1.00 0.39 C ATOM 2273 C VAL A 146 -5.922 0.666 10.071 1.00 0.40 C ATOM 2274 O VAL A 146 -6.476 0.488 11.155 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.854 -1.761 9.450 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.125 -1.648 8.621 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -4.982 -2.904 8.943 1.00 1.11 C ATOM 0 H VAL A 146 -3.812 -1.164 10.934 1.00 0.36 H new ATOM 0 HA VAL A 146 -4.860 -0.172 8.398 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.135 -1.979 10.480 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.660 -2.598 8.644 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.760 -0.864 9.034 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -6.867 -1.401 7.591 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.552 -3.833 8.962 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.664 -2.694 7.922 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.105 -3.004 9.582 1.00 1.11 H new ATOM 2287 N THR A 147 -5.999 1.803 9.403 1.00 0.40 N ATOM 2288 CA THR A 147 -6.780 2.922 9.898 1.00 0.42 C ATOM 2289 C THR A 147 -8.008 3.120 9.039 1.00 0.35 C ATOM 2290 O THR A 147 -7.903 3.401 7.844 1.00 0.33 O ATOM 2291 CB THR A 147 -5.949 4.215 9.908 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.658 3.949 10.468 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.647 5.301 10.713 1.00 0.52 C ATOM 0 H THR A 147 -5.529 1.976 8.514 1.00 0.40 H new ATOM 0 HA THR A 147 -7.082 2.694 10.920 1.00 0.42 H new ATOM 0 HB THR A 147 -5.839 4.567 8.882 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.127 4.773 10.473 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.040 6.206 10.706 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.620 5.513 10.271 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.781 4.963 11.740 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.170 2.952 9.635 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.400 3.124 8.903 1.00 0.34 C ATOM 2303 C ARG A 148 -11.110 4.388 9.354 1.00 0.37 C ATOM 2304 O ARG A 148 -10.994 4.814 10.505 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.297 1.886 9.034 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.731 1.554 10.452 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.240 0.124 10.529 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.974 -0.154 11.761 1.00 1.48 N ATOM 2309 CZ ARG A 148 -13.021 -1.354 12.342 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -12.216 -2.328 11.931 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -13.835 -1.567 13.365 1.00 3.00 N ATOM 0 H ARG A 148 -9.285 2.699 10.616 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.163 3.235 7.845 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.187 2.035 8.423 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.768 1.027 8.622 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.893 1.686 11.136 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.513 2.243 10.770 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -12.888 -0.072 9.674 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.396 -0.561 10.453 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.480 0.614 12.203 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -11.559 -2.159 11.169 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -12.255 -3.244 12.378 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -14.428 -0.812 13.711 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -13.869 -2.486 13.807 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.817 4.993 8.427 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.440 6.288 8.637 1.00 0.36 C ATOM 2327 C PHE A 149 -13.954 6.177 8.522 1.00 0.38 C ATOM 2328 O PHE A 149 -14.467 5.783 7.478 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.933 7.273 7.581 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.444 7.245 7.383 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.601 7.957 8.219 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.890 6.503 6.353 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.232 7.926 8.031 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.526 6.468 6.160 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.696 7.179 6.999 1.00 0.40 C ATOM 0 H PHE A 149 -11.979 4.601 7.499 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.183 6.640 9.636 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.420 7.053 6.631 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.232 8.282 7.866 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.017 8.542 9.026 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.536 5.944 5.692 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.583 8.484 8.689 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.108 5.884 5.353 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.627 7.153 6.850 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.666 6.512 9.589 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.123 6.537 9.547 1.00 0.51 C ATOM 2347 C HIS A 150 -16.607 7.745 8.759 1.00 0.52 C ATOM 2348 O HIS A 150 -16.445 8.886 9.190 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.719 6.558 10.958 1.00 0.64 C ATOM 2350 CG HIS A 150 -17.202 5.223 11.424 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -16.526 4.446 12.337 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -18.321 4.533 11.104 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -17.206 3.337 12.559 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -18.297 3.366 11.821 1.00 2.73 N ATOM 0 H HIS A 150 -14.262 6.769 10.490 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.459 5.627 9.050 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -15.967 6.927 11.655 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.549 7.264 10.982 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -19.090 4.844 10.412 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -16.918 2.542 13.231 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -19.009 2.637 11.789 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.189 7.487 7.597 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.644 8.545 6.708 1.00 0.50 C ATOM 2365 C ILE A 151 -19.054 8.246 6.229 1.00 0.49 C ATOM 2366 O ILE A 151 -19.683 7.286 6.680 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.717 8.736 5.469 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.913 7.626 4.416 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.258 8.812 5.892 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.647 6.222 4.911 1.00 0.64 C ATOM 0 H ILE A 151 -17.358 6.544 7.246 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.620 9.470 7.284 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.000 9.680 5.004 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -17.936 7.676 4.043 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -16.255 7.828 3.570 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.630 8.945 5.011 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.119 9.656 6.568 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.978 7.890 6.401 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.811 5.513 4.100 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -15.616 6.147 5.255 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -17.322 5.993 5.735 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.531 9.057 5.311 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.867 8.903 4.766 1.00 0.51 C ATOM 2384 C ASN A 152 -20.808 8.285 3.373 1.00 0.49 C ATOM 2385 O ASN A 152 -20.396 8.919 2.406 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.595 10.252 4.761 1.00 0.62 C ATOM 2387 CG ASN A 152 -20.860 11.336 3.989 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -19.984 12.008 4.529 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.217 11.527 2.729 1.00 1.33 N ATOM 0 H ASN A 152 -19.008 9.841 4.920 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.435 8.222 5.400 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.587 10.119 4.329 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.737 10.583 5.790 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -20.761 12.251 2.174 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.948 10.950 2.313 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.190 7.022 3.291 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.232 6.310 2.018 1.00 0.59 C ATOM 2398 C TRP A 153 -22.418 6.809 1.211 1.00 0.72 C ATOM 2399 O TRP A 153 -22.435 6.762 -0.025 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.373 4.802 2.250 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.302 4.210 3.116 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.100 4.444 4.445 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.307 3.259 2.720 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.026 3.722 4.892 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.525 2.979 3.856 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.998 2.624 1.516 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.456 2.089 3.821 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.938 1.739 1.483 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.179 1.478 2.629 1.00 0.53 C ATOM 0 H TRP A 153 -21.478 6.463 4.094 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.304 6.494 1.477 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.343 4.605 2.706 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.366 4.295 1.285 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.700 5.103 5.055 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.658 3.735 5.843 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.577 2.821 0.626 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.866 1.888 4.703 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.691 1.240 0.557 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.357 0.780 2.571 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.388 7.322 1.943 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.627 7.783 1.387 1.00 0.99 C ATOM 2422 C GLU A 154 -24.524 9.273 1.187 1.00 0.96 C ATOM 2423 O GLU A 154 -23.859 9.968 1.962 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.780 7.483 2.346 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.666 6.140 3.043 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.840 4.967 2.106 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -26.992 4.620 1.784 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -24.815 4.402 1.676 1.00 2.32 O ATOM 0 H GLU A 154 -23.328 7.428 2.956 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.818 7.277 0.441 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.827 8.269 3.099 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.718 7.515 1.792 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.691 6.070 3.526 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.417 6.082 3.831 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.163 9.765 0.163 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.171 11.183 -0.083 1.00 1.07 C ATOM 2437 C ASP A 155 -26.292 11.837 0.701 1.00 1.02 C ATOM 2438 O ASP A 155 -27.409 11.983 0.212 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.298 11.459 -1.570 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.371 12.942 -1.879 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -24.496 13.698 -1.408 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.300 13.363 -2.601 1.00 1.86 O ATOM 0 H ASP A 155 -25.684 9.208 -0.514 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.227 11.612 0.254 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -24.446 11.024 -2.092 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.192 10.966 -1.953 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.993 12.169 1.947 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.958 12.808 2.825 1.00 1.31 C ATOM 2449 C ASN A 156 -26.241 13.693 3.834 1.00 1.59 C ATOM 2450 O ASN A 156 -25.244 13.236 4.423 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.857 11.770 3.534 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.134 10.850 4.516 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -27.703 10.453 5.533 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -25.905 10.467 4.214 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.673 14.849 4.029 1.00 2.05 O ATOM 0 H ASN A 156 -25.082 12.004 2.375 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.611 13.433 2.215 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -28.645 12.300 4.069 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.344 11.156 2.776 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -25.404 9.827 4.830 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -25.458 10.812 3.365 1.00 2.27 H new