USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1096 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 24 ASN : amide:sc= -7.39! K(o=-11!,f=-1.9) USER MOD Set 1.2: A 29 GLN : amide:sc= -4.21! K(o=-11!,f=-0.74) USER MOD Set 1.3: A 30 THR OG1 : rot 176:sc= 0.366 USER MOD Set 2.1: A 20 ASN : amide:sc= -4.26 K(o=-6,f=-2.4) USER MOD Set 2.2: A 32 GLN : amide:sc= -1.78 K(o=-6,f=-2.4) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.149 (180deg=-0.713) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.046 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -2! K(o=-2!,f=-0.03) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= 0.77 (180deg=0.0378) USER MOD Single : A 12 GLN : amide:sc= -0.728 K(o=-0.73,f=-4.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 1.28 (180deg=1.26) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.98) USER MOD Single : A 38 GLN : amide:sc= -4.57 K(o=-4.6,f=-0.92) USER MOD Single : A 44 THR OG1 : rot -31:sc= 0.071 USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0251 (180deg=-0.155) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= -0.0103 (180deg=-0.0663) USER MOD Single : A 60 MET CE :methyl -144:sc= 0 (180deg=-0.754) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 1.34 (180deg=1.21) USER MOD Single : A 69 MET CE :methyl -175:sc= -0.397 (180deg=-0.514) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -9.94! (180deg=-10.5!) USER MOD Single : A 75 ASN : amide:sc= 0.349 X(o=0.35,f=0) USER MOD Single : A 81 MET CE :methyl -144:sc= -0.101 (180deg=-0.871) USER MOD Single : A 82 THR OG1 : rot -141:sc= -0.0556 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -118:sc= -0.0786 (180deg=-2.31) USER MOD Single : A 91 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.1) USER MOD Single : A 93 SER OG : rot 72:sc= 1.24 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 101 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-4.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -111:sc= 0.879 (180deg=-0.0759) USER MOD Single : A 118 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 122 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00639) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 129 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.433 8.845 8.564 1.00 4.70 N ATOM 2 CA MET A 1 -13.421 9.924 8.540 1.00 4.14 C ATOM 3 C MET A 1 -12.497 9.798 9.750 1.00 3.03 C ATOM 4 O MET A 1 -12.912 9.321 10.805 1.00 3.33 O ATOM 5 CB MET A 1 -14.095 11.300 8.515 1.00 4.68 C ATOM 6 CG MET A 1 -13.119 12.458 8.372 1.00 5.19 C ATOM 7 SD MET A 1 -13.947 14.053 8.192 1.00 6.18 S ATOM 8 CE MET A 1 -14.787 13.829 6.623 1.00 6.56 C ATOM 0 H1 MET A 1 -14.269 8.197 7.767 1.00 4.70 H new ATOM 0 H2 MET A 1 -14.359 8.319 9.458 1.00 4.70 H new ATOM 0 H3 MET A 1 -15.384 9.259 8.483 1.00 4.70 H new ATOM 0 HA MET A 1 -12.826 9.825 7.632 1.00 4.14 H new ATOM 0 HB2 MET A 1 -14.805 11.331 7.689 1.00 4.68 H new ATOM 0 HB3 MET A 1 -14.668 11.431 9.433 1.00 4.68 H new ATOM 0 HG2 MET A 1 -12.468 12.488 9.246 1.00 5.19 H new ATOM 0 HG3 MET A 1 -12.481 12.285 7.505 1.00 5.19 H new ATOM 0 HE1 MET A 1 -15.007 14.803 6.186 1.00 6.56 H new ATOM 0 HE2 MET A 1 -14.147 13.264 5.945 1.00 6.56 H new ATOM 0 HE3 MET A 1 -15.717 13.284 6.783 1.00 6.56 H new ATOM 20 N MET A 2 -11.239 10.184 9.554 1.00 2.15 N ATOM 21 CA MET A 2 -10.175 10.120 10.561 1.00 1.39 C ATOM 22 C MET A 2 -9.667 8.695 10.750 1.00 1.23 C ATOM 23 O MET A 2 -8.576 8.479 11.272 1.00 1.91 O ATOM 24 CB MET A 2 -10.617 10.683 11.905 1.00 1.06 C ATOM 25 CG MET A 2 -9.451 11.207 12.721 1.00 1.27 C ATOM 26 SD MET A 2 -9.954 11.880 14.314 1.00 2.00 S ATOM 27 CE MET A 2 -8.356 12.261 15.024 1.00 2.94 C ATOM 0 H MET A 2 -10.918 10.562 8.663 1.00 2.15 H new ATOM 0 HA MET A 2 -9.363 10.740 10.181 1.00 1.39 H new ATOM 0 HB2 MET A 2 -11.334 11.488 11.741 1.00 1.06 H new ATOM 0 HB3 MET A 2 -11.133 9.907 12.470 1.00 1.06 H new ATOM 0 HG2 MET A 2 -8.736 10.400 12.883 1.00 1.27 H new ATOM 0 HG3 MET A 2 -8.935 11.981 12.152 1.00 1.27 H new ATOM 0 HE1 MET A 2 -8.492 12.689 16.017 1.00 2.94 H new ATOM 0 HE2 MET A 2 -7.764 11.349 15.099 1.00 2.94 H new ATOM 0 HE3 MET A 2 -7.837 12.978 14.388 1.00 2.94 H new ATOM 37 N ASN A 3 -10.463 7.726 10.329 1.00 0.60 N ATOM 38 CA ASN A 3 -10.092 6.325 10.446 1.00 0.58 C ATOM 39 C ASN A 3 -9.433 5.847 9.156 1.00 0.41 C ATOM 40 O ASN A 3 -9.186 4.659 8.960 1.00 0.47 O ATOM 41 CB ASN A 3 -11.313 5.460 10.786 1.00 0.73 C ATOM 42 CG ASN A 3 -11.779 5.619 12.230 1.00 1.80 C ATOM 43 OD1 ASN A 3 -12.265 4.663 12.837 1.00 2.57 O ATOM 44 ND2 ASN A 3 -11.662 6.820 12.791 1.00 2.06 N ATOM 0 H ASN A 3 -11.375 7.885 9.901 1.00 0.60 H new ATOM 0 HA ASN A 3 -9.376 6.225 11.261 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -12.132 5.720 10.116 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -11.071 4.413 10.602 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -11.979 6.968 13.749 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.255 7.592 12.263 1.00 2.06 H new ATOM 51 N GLU A 4 -9.122 6.801 8.297 1.00 0.28 N ATOM 52 CA GLU A 4 -8.434 6.532 7.045 1.00 0.20 C ATOM 53 C GLU A 4 -6.951 6.352 7.322 1.00 0.17 C ATOM 54 O GLU A 4 -6.359 7.180 8.003 1.00 0.20 O ATOM 55 CB GLU A 4 -8.647 7.709 6.084 1.00 0.24 C ATOM 56 CG GLU A 4 -8.531 9.080 6.755 1.00 0.39 C ATOM 57 CD GLU A 4 -9.884 9.681 7.068 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.887 8.931 7.080 1.00 1.26 O ATOM 59 OE2 GLU A 4 -9.957 10.899 7.343 1.00 1.70 O ATOM 0 H GLU A 4 -9.339 7.786 8.447 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.830 5.624 6.591 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -7.916 7.646 5.278 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.633 7.620 5.627 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.956 8.984 7.676 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -7.977 9.756 6.103 1.00 0.39 H new ATOM 66 N LYS A 5 -6.350 5.261 6.834 1.00 0.17 N ATOM 67 CA LYS A 5 -4.948 4.957 7.157 1.00 0.18 C ATOM 68 C LYS A 5 -4.195 4.242 6.011 1.00 0.17 C ATOM 69 O LYS A 5 -4.712 3.298 5.416 1.00 0.18 O ATOM 70 CB LYS A 5 -4.905 4.104 8.429 1.00 0.26 C ATOM 71 CG LYS A 5 -5.462 4.807 9.665 1.00 0.79 C ATOM 72 CD LYS A 5 -5.499 3.912 10.891 1.00 0.87 C ATOM 73 CE LYS A 5 -6.805 3.134 11.007 1.00 1.27 C ATOM 74 NZ LYS A 5 -6.926 2.065 9.984 1.00 1.93 N ATOM 0 H LYS A 5 -6.803 4.582 6.223 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.435 5.907 7.310 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -5.470 3.187 8.259 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -3.873 3.811 8.624 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -4.854 5.685 9.881 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -6.470 5.162 9.451 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -4.665 3.211 10.851 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -5.362 4.520 11.785 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -6.872 2.690 12.000 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -7.644 3.823 10.908 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -7.666 1.393 10.270 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -7.178 2.488 9.068 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -6.019 1.564 9.896 1.00 1.93 H new ATOM 88 N ILE A 6 -2.958 4.698 5.723 1.00 0.16 N ATOM 89 CA ILE A 6 -2.077 4.069 4.707 1.00 0.15 C ATOM 90 C ILE A 6 -0.604 4.165 5.152 1.00 0.15 C ATOM 91 O ILE A 6 -0.210 5.147 5.755 1.00 0.20 O ATOM 92 CB ILE A 6 -2.185 4.747 3.311 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.615 4.692 2.769 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.219 4.097 2.321 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.761 5.286 1.384 1.00 0.19 C ATOM 0 H ILE A 6 -2.541 5.507 6.183 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.406 3.033 4.622 1.00 0.15 H new ATOM 0 HB ILE A 6 -1.913 5.795 3.433 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -3.947 3.654 2.747 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.275 5.223 3.455 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.310 4.585 1.351 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.198 4.203 2.687 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.460 3.039 2.219 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.800 5.212 1.064 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.461 6.334 1.404 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.127 4.740 0.685 1.00 0.19 H new ATOM 107 N LEU A 7 0.219 3.170 4.846 1.00 0.14 N ATOM 108 CA LEU A 7 1.629 3.239 5.221 1.00 0.16 C ATOM 109 C LEU A 7 2.530 3.177 3.989 1.00 0.25 C ATOM 110 O LEU A 7 2.599 2.155 3.338 1.00 0.59 O ATOM 111 CB LEU A 7 1.972 2.093 6.176 1.00 0.23 C ATOM 112 CG LEU A 7 3.064 2.412 7.203 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.416 2.592 6.534 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.698 3.669 7.964 1.00 0.47 C ATOM 0 H LEU A 7 -0.055 2.322 4.350 1.00 0.14 H new ATOM 0 HA LEU A 7 1.801 4.192 5.721 1.00 0.16 H new ATOM 0 HB2 LEU A 7 1.067 1.801 6.709 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.288 1.232 5.588 1.00 0.23 H new ATOM 0 HG LEU A 7 3.137 1.571 7.893 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.169 2.817 7.290 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.689 1.675 6.012 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.362 3.413 5.820 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.477 3.893 8.693 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.604 4.502 7.267 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.750 3.519 8.480 1.00 0.47 H new ATOM 126 N ILE A 8 3.227 4.265 3.690 1.00 0.19 N ATOM 127 CA ILE A 8 4.122 4.320 2.530 1.00 0.19 C ATOM 128 C ILE A 8 5.557 3.983 2.955 1.00 0.19 C ATOM 129 O ILE A 8 6.178 4.720 3.724 1.00 0.24 O ATOM 130 CB ILE A 8 4.125 5.724 1.870 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.730 6.116 1.368 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.122 5.775 0.720 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.776 6.559 2.453 1.00 0.20 C ATOM 0 H ILE A 8 3.193 5.127 4.234 1.00 0.19 H new ATOM 0 HA ILE A 8 3.754 3.592 1.807 1.00 0.19 H new ATOM 0 HB ILE A 8 4.424 6.441 2.635 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.832 6.921 0.641 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.294 5.266 0.843 1.00 0.23 H new ATOM 0 HG21 ILE A 8 5.109 6.768 0.271 1.00 0.28 H new ATOM 0 HG22 ILE A 8 6.122 5.560 1.096 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.850 5.033 -0.031 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.815 6.817 2.009 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.639 5.749 3.170 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.185 7.430 2.964 1.00 0.20 H new ATOM 145 N VAL A 9 6.075 2.875 2.455 1.00 0.19 N ATOM 146 CA VAL A 9 7.411 2.413 2.797 1.00 0.19 C ATOM 147 C VAL A 9 8.312 2.473 1.580 1.00 0.19 C ATOM 148 O VAL A 9 8.091 1.753 0.609 1.00 0.22 O ATOM 149 CB VAL A 9 7.401 0.955 3.284 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.715 0.612 3.967 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.220 0.695 4.201 1.00 0.21 C ATOM 0 H VAL A 9 5.582 2.269 1.800 1.00 0.19 H new ATOM 0 HA VAL A 9 7.775 3.064 3.592 1.00 0.19 H new ATOM 0 HB VAL A 9 7.292 0.305 2.416 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.690 -0.424 4.305 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.536 0.744 3.263 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.862 1.270 4.824 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.237 -0.344 4.531 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.281 1.352 5.068 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.292 0.890 3.663 1.00 0.21 H new ATOM 161 N ASP A 10 9.328 3.311 1.646 1.00 0.21 N ATOM 162 CA ASP A 10 10.260 3.483 0.539 1.00 0.30 C ATOM 163 C ASP A 10 11.361 4.404 1.016 1.00 0.42 C ATOM 164 O ASP A 10 11.200 5.053 2.027 1.00 0.83 O ATOM 165 CB ASP A 10 9.559 4.082 -0.692 1.00 0.45 C ATOM 166 CG ASP A 10 10.316 3.840 -1.990 1.00 1.13 C ATOM 167 OD1 ASP A 10 11.522 4.149 -2.048 1.00 1.63 O ATOM 168 OD2 ASP A 10 9.716 3.311 -2.948 1.00 1.84 O ATOM 0 H ASP A 10 9.533 3.890 2.460 1.00 0.21 H new ATOM 0 HA ASP A 10 10.663 2.516 0.237 1.00 0.30 H new ATOM 0 HB2 ASP A 10 8.560 3.655 -0.777 1.00 0.45 H new ATOM 0 HB3 ASP A 10 9.436 5.155 -0.546 1.00 0.45 H new ATOM 173 N ASP A 11 12.504 4.407 0.377 1.00 0.29 N ATOM 174 CA ASP A 11 13.536 5.364 0.724 1.00 0.36 C ATOM 175 C ASP A 11 13.461 6.590 -0.194 1.00 0.38 C ATOM 176 O ASP A 11 14.410 7.371 -0.301 1.00 0.73 O ATOM 177 CB ASP A 11 14.901 4.679 0.647 1.00 0.48 C ATOM 178 CG ASP A 11 16.053 5.550 1.103 1.00 0.63 C ATOM 179 OD1 ASP A 11 16.007 6.036 2.251 1.00 0.77 O ATOM 180 OD2 ASP A 11 17.004 5.765 0.317 1.00 0.74 O ATOM 0 H ASP A 11 12.746 3.767 -0.379 1.00 0.29 H new ATOM 0 HA ASP A 11 13.385 5.718 1.744 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.878 3.776 1.257 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.081 4.365 -0.381 1.00 0.48 H new ATOM 185 N GLN A 12 12.307 6.768 -0.844 1.00 0.56 N ATOM 186 CA GLN A 12 12.059 7.955 -1.661 1.00 0.60 C ATOM 187 C GLN A 12 12.220 9.212 -0.816 1.00 0.54 C ATOM 188 O GLN A 12 11.608 9.341 0.251 1.00 0.66 O ATOM 189 CB GLN A 12 10.654 7.923 -2.274 1.00 0.83 C ATOM 190 CG GLN A 12 10.428 6.784 -3.257 1.00 1.01 C ATOM 191 CD GLN A 12 11.158 6.964 -4.576 1.00 1.87 C ATOM 192 OE1 GLN A 12 12.201 7.613 -4.650 1.00 2.56 O ATOM 193 NE2 GLN A 12 10.628 6.361 -5.625 1.00 2.51 N ATOM 0 H GLN A 12 11.532 6.105 -0.819 1.00 0.56 H new ATOM 0 HA GLN A 12 12.787 7.963 -2.472 1.00 0.60 H new ATOM 0 HB2 GLN A 12 9.921 7.846 -1.471 1.00 0.83 H new ATOM 0 HB3 GLN A 12 10.470 8.869 -2.783 1.00 0.83 H new ATOM 0 HG2 GLN A 12 10.751 5.850 -2.798 1.00 1.01 H new ATOM 0 HG3 GLN A 12 9.360 6.691 -3.453 1.00 1.01 H new ATOM 0 HE21 GLN A 12 9.762 5.832 -5.525 1.00 2.51 H new ATOM 0 HE22 GLN A 12 11.085 6.425 -6.535 1.00 2.51 H new ATOM 202 N TYR A 13 13.033 10.130 -1.317 1.00 0.55 N ATOM 203 CA TYR A 13 13.474 11.299 -0.564 1.00 0.60 C ATOM 204 C TYR A 13 12.312 12.075 0.061 1.00 0.51 C ATOM 205 O TYR A 13 12.372 12.438 1.237 1.00 0.61 O ATOM 206 CB TYR A 13 14.289 12.216 -1.475 1.00 0.75 C ATOM 207 CG TYR A 13 15.292 13.073 -0.733 1.00 1.43 C ATOM 208 CD1 TYR A 13 16.368 12.508 -0.061 1.00 1.81 C ATOM 209 CD2 TYR A 13 15.149 14.456 -0.699 1.00 2.25 C ATOM 210 CE1 TYR A 13 17.273 13.297 0.625 1.00 2.61 C ATOM 211 CE2 TYR A 13 16.052 15.249 -0.019 1.00 3.15 C ATOM 212 CZ TYR A 13 17.156 14.633 0.618 1.00 3.23 C ATOM 213 OH TYR A 13 18.007 15.453 1.325 1.00 4.16 O ATOM 0 H TYR A 13 13.409 10.086 -2.264 1.00 0.55 H new ATOM 0 HA TYR A 13 14.092 10.941 0.260 1.00 0.60 H new ATOM 0 HB2 TYR A 13 14.817 11.608 -2.210 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.608 12.864 -2.027 1.00 0.75 H new ATOM 0 HD1 TYR A 13 16.500 11.436 -0.074 1.00 1.81 H new ATOM 0 HD2 TYR A 13 14.318 14.917 -1.213 1.00 2.25 H new ATOM 0 HE1 TYR A 13 18.081 12.833 1.171 1.00 2.61 H new ATOM 0 HE2 TYR A 13 15.918 16.320 0.026 1.00 3.15 H new ATOM 0 HH TYR A 13 17.751 16.389 1.185 1.00 4.16 H new ATOM 223 N GLY A 14 11.256 12.326 -0.706 1.00 0.43 N ATOM 224 CA GLY A 14 10.158 13.116 -0.176 1.00 0.39 C ATOM 225 C GLY A 14 8.778 12.628 -0.572 1.00 0.37 C ATOM 226 O GLY A 14 7.785 13.178 -0.113 1.00 0.45 O ATOM 0 H GLY A 14 11.140 12.004 -1.667 1.00 0.43 H new ATOM 0 HA2 GLY A 14 10.227 13.125 0.912 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.274 14.146 -0.512 1.00 0.39 H new ATOM 230 N ILE A 15 8.693 11.576 -1.377 1.00 0.37 N ATOM 231 CA ILE A 15 7.392 11.100 -1.855 1.00 0.38 C ATOM 232 C ILE A 15 6.591 10.572 -0.673 1.00 0.30 C ATOM 233 O ILE A 15 5.366 10.722 -0.596 1.00 0.31 O ATOM 234 CB ILE A 15 7.541 9.981 -2.916 1.00 0.50 C ATOM 235 CG1 ILE A 15 8.426 10.448 -4.078 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.174 9.547 -3.429 1.00 0.56 C ATOM 237 CD1 ILE A 15 7.861 11.619 -4.855 1.00 0.95 C ATOM 0 H ILE A 15 9.494 11.040 -1.711 1.00 0.37 H new ATOM 0 HA ILE A 15 6.877 11.938 -2.325 1.00 0.38 H new ATOM 0 HB ILE A 15 8.022 9.125 -2.443 1.00 0.50 H new ATOM 0 HG12 ILE A 15 9.405 10.724 -3.686 1.00 0.63 H new ATOM 0 HG13 ILE A 15 8.580 9.613 -4.761 1.00 0.63 H new ATOM 0 HG21 ILE A 15 6.298 8.760 -4.173 1.00 0.56 H new ATOM 0 HG22 ILE A 15 5.577 9.170 -2.599 1.00 0.56 H new ATOM 0 HG23 ILE A 15 5.668 10.399 -3.882 1.00 0.56 H new ATOM 0 HD11 ILE A 15 8.547 11.887 -5.659 1.00 0.95 H new ATOM 0 HD12 ILE A 15 6.896 11.343 -5.279 1.00 0.95 H new ATOM 0 HD13 ILE A 15 7.733 12.471 -4.187 1.00 0.95 H new ATOM 249 N ARG A 16 7.327 10.004 0.269 1.00 0.30 N ATOM 250 CA ARG A 16 6.746 9.440 1.485 1.00 0.35 C ATOM 251 C ARG A 16 5.935 10.476 2.261 1.00 0.33 C ATOM 252 O ARG A 16 4.897 10.155 2.831 1.00 0.43 O ATOM 253 CB ARG A 16 7.845 8.876 2.380 1.00 0.49 C ATOM 254 CG ARG A 16 8.362 7.529 1.919 1.00 0.58 C ATOM 255 CD ARG A 16 9.574 7.090 2.722 1.00 0.82 C ATOM 256 NE ARG A 16 10.683 8.044 2.613 1.00 1.64 N ATOM 257 CZ ARG A 16 11.870 7.892 3.213 1.00 2.17 C ATOM 258 NH1 ARG A 16 12.110 6.833 3.973 1.00 2.49 N ATOM 259 NH2 ARG A 16 12.826 8.792 3.029 1.00 2.91 N ATOM 0 H ARG A 16 8.342 9.919 0.216 1.00 0.30 H new ATOM 0 HA ARG A 16 6.070 8.640 1.183 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.674 9.583 2.415 1.00 0.49 H new ATOM 0 HB3 ARG A 16 7.463 8.782 3.397 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.572 6.784 2.014 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.625 7.582 0.862 1.00 0.58 H new ATOM 0 HD2 ARG A 16 9.294 6.979 3.769 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.903 6.111 2.375 1.00 0.82 H new ATOM 0 HE ARG A 16 10.540 8.878 2.043 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.387 6.125 4.105 1.00 2.49 H new ATOM 0 HH12 ARG A 16 13.017 6.726 4.426 1.00 2.49 H new ATOM 0 HH21 ARG A 16 12.657 9.600 2.430 1.00 2.91 H new ATOM 0 HH22 ARG A 16 13.730 8.676 3.486 1.00 2.91 H new ATOM 273 N ILE A 17 6.408 11.717 2.268 1.00 0.27 N ATOM 274 CA ILE A 17 5.758 12.779 3.031 1.00 0.29 C ATOM 275 C ILE A 17 4.799 13.575 2.145 1.00 0.32 C ATOM 276 O ILE A 17 3.813 14.139 2.628 1.00 0.34 O ATOM 277 CB ILE A 17 6.807 13.714 3.681 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.143 14.772 4.566 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.673 14.378 2.622 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.524 14.214 5.829 1.00 0.68 C ATOM 0 H ILE A 17 7.238 12.014 1.755 1.00 0.27 H new ATOM 0 HA ILE A 17 5.178 12.314 3.829 1.00 0.29 H new ATOM 0 HB ILE A 17 7.445 13.097 4.314 1.00 0.32 H new ATOM 0 HG12 ILE A 17 6.886 15.522 4.838 1.00 0.40 H new ATOM 0 HG13 ILE A 17 5.371 15.282 3.989 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.402 15.030 3.104 1.00 0.39 H new ATOM 0 HG22 ILE A 17 8.195 13.613 2.047 1.00 0.39 H new ATOM 0 HG23 ILE A 17 7.044 14.968 1.955 1.00 0.39 H new ATOM 0 HD11 ILE A 17 5.074 15.024 6.402 1.00 0.68 H new ATOM 0 HD12 ILE A 17 4.757 13.485 5.567 1.00 0.68 H new ATOM 0 HD13 ILE A 17 6.295 13.730 6.429 1.00 0.68 H new ATOM 292 N LEU A 18 5.081 13.610 0.845 1.00 0.34 N ATOM 293 CA LEU A 18 4.154 14.217 -0.112 1.00 0.43 C ATOM 294 C LEU A 18 2.772 13.604 0.049 1.00 0.33 C ATOM 295 O LEU A 18 1.763 14.309 0.110 1.00 0.32 O ATOM 296 CB LEU A 18 4.615 14.013 -1.563 1.00 0.63 C ATOM 297 CG LEU A 18 5.977 14.607 -1.927 1.00 0.76 C ATOM 298 CD1 LEU A 18 6.218 14.492 -3.423 1.00 1.49 C ATOM 299 CD2 LEU A 18 6.075 16.061 -1.482 1.00 1.34 C ATOM 0 H LEU A 18 5.933 13.231 0.432 1.00 0.34 H new ATOM 0 HA LEU A 18 4.127 15.287 0.096 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.642 12.943 -1.767 1.00 0.63 H new ATOM 0 HB3 LEU A 18 3.865 14.445 -2.225 1.00 0.63 H new ATOM 0 HG LEU A 18 6.747 14.041 -1.403 1.00 0.76 H new ATOM 0 HD11 LEU A 18 7.191 14.918 -3.669 1.00 1.49 H new ATOM 0 HD12 LEU A 18 6.198 13.442 -3.715 1.00 1.49 H new ATOM 0 HD13 LEU A 18 5.439 15.033 -3.960 1.00 1.49 H new ATOM 0 HD21 LEU A 18 7.053 16.459 -1.753 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.297 16.645 -1.973 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.946 16.120 -0.401 1.00 1.34 H new ATOM 311 N LEU A 19 2.736 12.280 0.170 1.00 0.31 N ATOM 312 CA LEU A 19 1.472 11.575 0.339 1.00 0.29 C ATOM 313 C LEU A 19 0.848 11.870 1.696 1.00 0.20 C ATOM 314 O LEU A 19 -0.357 11.693 1.877 1.00 0.17 O ATOM 315 CB LEU A 19 1.645 10.067 0.149 1.00 0.37 C ATOM 316 CG LEU A 19 1.439 9.570 -1.285 1.00 0.55 C ATOM 317 CD1 LEU A 19 2.365 10.295 -2.246 1.00 1.32 C ATOM 318 CD2 LEU A 19 1.655 8.069 -1.365 1.00 1.07 C ATOM 0 H LEU A 19 3.560 11.679 0.154 1.00 0.31 H new ATOM 0 HA LEU A 19 0.795 11.941 -0.433 1.00 0.29 H new ATOM 0 HB2 LEU A 19 2.647 9.787 0.475 1.00 0.37 H new ATOM 0 HB3 LEU A 19 0.942 9.550 0.802 1.00 0.37 H new ATOM 0 HG LEU A 19 0.411 9.786 -1.576 1.00 0.55 H new ATOM 0 HD11 LEU A 19 2.201 9.925 -3.258 1.00 1.32 H new ATOM 0 HD12 LEU A 19 2.159 11.365 -2.212 1.00 1.32 H new ATOM 0 HD13 LEU A 19 3.401 10.116 -1.958 1.00 1.32 H new ATOM 0 HD21 LEU A 19 1.504 7.734 -2.391 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.671 7.830 -1.051 1.00 1.07 H new ATOM 0 HD23 LEU A 19 0.945 7.564 -0.710 1.00 1.07 H new ATOM 330 N ASN A 20 1.660 12.322 2.650 1.00 0.20 N ATOM 331 CA ASN A 20 1.133 12.750 3.942 1.00 0.18 C ATOM 332 C ASN A 20 0.263 13.975 3.732 1.00 0.19 C ATOM 333 O ASN A 20 -0.903 13.997 4.108 1.00 0.20 O ATOM 334 CB ASN A 20 2.241 13.083 4.952 1.00 0.22 C ATOM 335 CG ASN A 20 2.874 11.867 5.592 1.00 0.21 C ATOM 336 OD1 ASN A 20 3.223 11.892 6.771 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.073 10.813 4.823 1.00 0.18 N ATOM 0 H ASN A 20 2.672 12.400 2.554 1.00 0.20 H new ATOM 0 HA ASN A 20 0.557 11.923 4.356 1.00 0.18 H new ATOM 0 HB2 ASN A 20 3.016 13.661 4.449 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.827 13.719 5.734 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.530 9.984 5.203 1.00 0.18 H new ATOM 0 HD22 ASN A 20 2.770 10.828 3.849 1.00 0.18 H new ATOM 344 N GLU A 21 0.830 14.990 3.097 1.00 0.25 N ATOM 345 CA GLU A 21 0.091 16.204 2.791 1.00 0.30 C ATOM 346 C GLU A 21 -1.163 15.920 1.972 1.00 0.28 C ATOM 347 O GLU A 21 -2.202 16.544 2.189 1.00 0.34 O ATOM 348 CB GLU A 21 0.993 17.181 2.058 1.00 0.38 C ATOM 349 CG GLU A 21 1.767 18.080 2.999 1.00 0.58 C ATOM 350 CD GLU A 21 2.317 17.355 4.208 1.00 1.35 C ATOM 351 OE1 GLU A 21 3.445 16.836 4.128 1.00 2.02 O ATOM 352 OE2 GLU A 21 1.621 17.311 5.247 1.00 1.93 O ATOM 0 H GLU A 21 1.801 14.996 2.784 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.235 16.644 3.734 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.693 16.625 1.435 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.390 17.795 1.390 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.592 18.539 2.454 1.00 0.58 H new ATOM 0 HG3 GLU A 21 1.117 18.888 3.334 1.00 0.58 H new ATOM 359 N VAL A 22 -1.070 14.981 1.038 1.00 0.28 N ATOM 360 CA VAL A 22 -2.216 14.628 0.206 1.00 0.32 C ATOM 361 C VAL A 22 -3.321 13.953 1.022 1.00 0.31 C ATOM 362 O VAL A 22 -4.480 14.360 0.969 1.00 0.47 O ATOM 363 CB VAL A 22 -1.828 13.689 -0.959 1.00 0.43 C ATOM 364 CG1 VAL A 22 -3.004 13.490 -1.907 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.623 14.223 -1.712 1.00 0.63 C ATOM 0 H VAL A 22 -0.220 14.453 0.838 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.583 15.570 -0.202 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.561 12.722 -0.533 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.708 12.826 -2.719 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.839 13.049 -1.363 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.307 14.453 -2.318 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.372 13.543 -2.526 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.855 15.207 -2.120 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.225 14.303 -1.032 1.00 0.63 H new ATOM 375 N PHE A 23 -2.960 12.930 1.788 1.00 0.22 N ATOM 376 CA PHE A 23 -3.958 12.072 2.417 1.00 0.20 C ATOM 377 C PHE A 23 -3.983 12.177 3.936 1.00 0.18 C ATOM 378 O PHE A 23 -5.046 12.263 4.518 1.00 0.20 O ATOM 379 CB PHE A 23 -3.716 10.612 2.031 1.00 0.24 C ATOM 380 CG PHE A 23 -3.906 10.314 0.573 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.178 10.217 0.033 1.00 0.33 C ATOM 382 CD2 PHE A 23 -2.813 10.133 -0.254 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.355 9.948 -1.311 1.00 0.38 C ATOM 384 CE2 PHE A 23 -2.981 9.863 -1.598 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.259 9.758 -2.124 1.00 0.38 C ATOM 0 H PHE A 23 -1.993 12.676 1.988 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.924 12.420 2.050 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.700 10.338 2.315 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.390 9.980 2.609 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.040 10.353 0.669 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -1.816 10.204 0.156 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.351 9.887 -1.723 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.120 9.734 -2.237 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.396 9.527 -3.170 1.00 0.38 H new ATOM 395 N ASN A 24 -2.822 12.176 4.566 1.00 0.17 N ATOM 396 CA ASN A 24 -2.698 11.982 6.019 1.00 0.20 C ATOM 397 C ASN A 24 -3.675 12.819 6.838 1.00 0.23 C ATOM 398 O ASN A 24 -4.147 12.379 7.883 1.00 0.28 O ATOM 399 CB ASN A 24 -1.272 12.301 6.441 1.00 0.20 C ATOM 400 CG ASN A 24 -0.887 11.648 7.747 1.00 0.18 C ATOM 401 OD1 ASN A 24 -1.006 12.235 8.821 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.412 10.423 7.648 1.00 0.19 N ATOM 0 H ASN A 24 -1.929 12.309 4.092 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.947 10.940 6.222 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.585 11.974 5.660 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.158 13.381 6.533 1.00 0.20 H new ATOM 0 HD21 ASN A 24 -0.123 9.919 8.486 1.00 0.19 H new ATOM 0 HD22 ASN A 24 -0.333 9.979 6.733 1.00 0.19 H new ATOM 409 N LYS A 25 -3.986 14.012 6.374 1.00 0.25 N ATOM 410 CA LYS A 25 -4.874 14.881 7.124 1.00 0.32 C ATOM 411 C LYS A 25 -6.360 14.612 6.859 1.00 0.30 C ATOM 412 O LYS A 25 -7.201 14.950 7.694 1.00 0.38 O ATOM 413 CB LYS A 25 -4.541 16.367 6.892 1.00 0.45 C ATOM 414 CG LYS A 25 -3.730 16.658 5.630 1.00 0.51 C ATOM 415 CD LYS A 25 -2.243 16.372 5.827 1.00 1.10 C ATOM 416 CE LYS A 25 -1.629 17.276 6.886 1.00 1.44 C ATOM 417 NZ LYS A 25 -0.205 16.936 7.163 1.00 1.75 N ATOM 0 H LYS A 25 -3.644 14.399 5.495 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.698 14.643 8.173 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.473 16.930 6.844 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.988 16.739 7.755 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -4.110 16.052 4.807 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -3.864 17.702 5.346 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.109 15.330 6.116 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -1.718 16.511 4.882 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -1.695 18.313 6.558 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -2.205 17.196 7.808 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 0.155 17.544 7.926 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -0.136 15.940 7.453 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 0.361 17.087 6.304 1.00 1.75 H new ATOM 431 N GLU A 26 -6.696 14.013 5.724 1.00 0.29 N ATOM 432 CA GLU A 26 -8.101 13.842 5.364 1.00 0.35 C ATOM 433 C GLU A 26 -8.344 12.601 4.494 1.00 0.33 C ATOM 434 O GLU A 26 -9.353 11.923 4.652 1.00 0.45 O ATOM 435 CB GLU A 26 -8.567 15.091 4.628 1.00 0.43 C ATOM 436 CG GLU A 26 -7.659 15.447 3.465 1.00 0.42 C ATOM 437 CD GLU A 26 -7.984 16.792 2.860 1.00 0.54 C ATOM 438 OE1 GLU A 26 -9.085 16.938 2.294 1.00 0.75 O ATOM 439 OE2 GLU A 26 -7.134 17.704 2.922 1.00 0.61 O ATOM 0 H GLU A 26 -6.030 13.643 5.046 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.670 13.695 6.282 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.581 14.936 4.260 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.605 15.928 5.325 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.623 15.447 3.805 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.742 14.678 2.697 1.00 0.42 H new ATOM 446 N GLY A 27 -7.436 12.334 3.561 1.00 0.25 N ATOM 447 CA GLY A 27 -7.577 11.185 2.693 1.00 0.26 C ATOM 448 C GLY A 27 -7.336 9.884 3.423 1.00 0.20 C ATOM 449 O GLY A 27 -8.233 9.054 3.504 1.00 0.22 O ATOM 0 H GLY A 27 -6.602 12.897 3.392 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.578 11.178 2.263 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -6.874 11.270 1.864 1.00 0.26 H new ATOM 453 N TYR A 28 -6.116 9.712 3.943 1.00 0.22 N ATOM 454 CA TYR A 28 -5.730 8.518 4.701 1.00 0.17 C ATOM 455 C TYR A 28 -4.504 8.800 5.559 1.00 0.31 C ATOM 456 O TYR A 28 -3.716 9.656 5.233 1.00 0.84 O ATOM 457 CB TYR A 28 -5.382 7.333 3.798 1.00 0.19 C ATOM 458 CG TYR A 28 -6.520 6.803 2.950 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.430 5.886 3.466 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.683 7.221 1.636 1.00 0.32 C ATOM 461 CE1 TYR A 28 -8.464 5.398 2.693 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.715 6.735 0.858 1.00 0.42 C ATOM 463 CZ TYR A 28 -8.611 5.840 1.396 1.00 0.50 C ATOM 464 OH TYR A 28 -9.627 5.334 0.619 1.00 0.62 O ATOM 0 H TYR A 28 -5.367 10.398 3.850 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.596 8.265 5.313 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.567 7.629 3.137 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -5.008 6.521 4.422 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.326 5.551 4.487 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.992 7.937 1.216 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -9.154 4.674 3.102 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.818 7.056 -0.168 1.00 0.42 H new ATOM 0 HH TYR A 28 -9.596 5.747 -0.269 1.00 0.62 H new ATOM 474 N GLN A 29 -4.321 7.998 6.591 1.00 0.20 N ATOM 475 CA GLN A 29 -3.223 8.129 7.566 1.00 0.15 C ATOM 476 C GLN A 29 -1.929 7.680 6.938 1.00 0.17 C ATOM 477 O GLN A 29 -1.299 6.743 7.412 1.00 0.34 O ATOM 478 CB GLN A 29 -3.485 7.229 8.768 1.00 0.19 C ATOM 479 CG GLN A 29 -2.885 7.686 10.097 1.00 0.28 C ATOM 480 CD GLN A 29 -2.131 8.989 10.027 1.00 0.74 C ATOM 481 OE1 GLN A 29 -2.714 10.064 10.168 1.00 1.50 O ATOM 482 NE2 GLN A 29 -0.824 8.902 9.855 1.00 0.53 N ATOM 0 H GLN A 29 -4.941 7.213 6.791 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.161 9.172 7.875 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.563 7.132 8.894 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.100 6.235 8.542 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.687 7.784 10.829 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -2.212 6.911 10.463 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.384 7.989 9.742 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -0.255 9.748 9.835 1.00 0.53 H new ATOM 491 N THR A 30 -1.550 8.338 5.879 1.00 0.12 N ATOM 492 CA THR A 30 -0.426 7.926 5.101 1.00 0.13 C ATOM 493 C THR A 30 0.859 8.298 5.802 1.00 0.13 C ATOM 494 O THR A 30 1.184 9.462 5.902 1.00 0.17 O ATOM 495 CB THR A 30 -0.482 8.596 3.729 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.626 10.014 3.886 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.642 8.069 2.914 1.00 0.16 C ATOM 0 H THR A 30 -2.016 9.177 5.534 1.00 0.12 H new ATOM 0 HA THR A 30 -0.456 6.843 4.977 1.00 0.13 H new ATOM 0 HB THR A 30 0.447 8.370 3.205 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.598 10.445 3.006 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.658 8.563 1.942 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.529 6.994 2.773 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.576 8.270 3.439 1.00 0.16 H new ATOM 505 N PHE A 31 1.591 7.329 6.301 1.00 0.13 N ATOM 506 CA PHE A 31 2.811 7.651 7.011 1.00 0.14 C ATOM 507 C PHE A 31 4.016 7.176 6.202 1.00 0.13 C ATOM 508 O PHE A 31 3.852 6.530 5.169 1.00 0.14 O ATOM 509 CB PHE A 31 2.816 7.025 8.413 1.00 0.17 C ATOM 510 CG PHE A 31 3.515 7.877 9.434 1.00 0.24 C ATOM 511 CD1 PHE A 31 2.881 8.983 9.978 1.00 0.37 C ATOM 512 CD2 PHE A 31 4.805 7.582 9.839 1.00 0.29 C ATOM 513 CE1 PHE A 31 3.522 9.778 10.908 1.00 0.45 C ATOM 514 CE2 PHE A 31 5.451 8.371 10.771 1.00 0.36 C ATOM 515 CZ PHE A 31 4.809 9.472 11.304 1.00 0.42 C ATOM 0 H PHE A 31 1.373 6.335 6.233 1.00 0.13 H new ATOM 0 HA PHE A 31 2.869 8.732 7.134 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.788 6.855 8.732 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.301 6.050 8.368 1.00 0.17 H new ATOM 0 HD1 PHE A 31 1.874 9.226 9.671 1.00 0.37 H new ATOM 0 HD2 PHE A 31 5.313 6.725 9.422 1.00 0.29 H new ATOM 0 HE1 PHE A 31 3.018 10.637 11.325 1.00 0.45 H new ATOM 0 HE2 PHE A 31 6.456 8.128 11.082 1.00 0.36 H new ATOM 0 HZ PHE A 31 5.313 10.093 12.030 1.00 0.42 H new ATOM 525 N GLN A 32 5.217 7.498 6.663 1.00 0.14 N ATOM 526 CA GLN A 32 6.436 7.165 5.930 1.00 0.16 C ATOM 527 C GLN A 32 7.237 6.092 6.659 1.00 0.17 C ATOM 528 O GLN A 32 7.300 6.080 7.891 1.00 0.20 O ATOM 529 CB GLN A 32 7.307 8.414 5.718 1.00 0.21 C ATOM 530 CG GLN A 32 7.575 9.217 6.987 1.00 0.76 C ATOM 531 CD GLN A 32 6.708 10.462 7.100 1.00 0.33 C ATOM 532 OE1 GLN A 32 7.099 11.450 7.719 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.539 10.434 6.478 1.00 0.52 N ATOM 0 H GLN A 32 5.376 7.990 7.542 1.00 0.14 H new ATOM 0 HA GLN A 32 6.138 6.776 4.956 1.00 0.16 H new ATOM 0 HB2 GLN A 32 8.261 8.108 5.288 1.00 0.21 H new ATOM 0 HB3 GLN A 32 6.821 9.062 4.988 1.00 0.21 H new ATOM 0 HG2 GLN A 32 7.402 8.581 7.855 1.00 0.76 H new ATOM 0 HG3 GLN A 32 8.625 9.509 7.010 1.00 0.76 H new ATOM 0 HE21 GLN A 32 5.249 9.596 5.975 1.00 0.52 H new ATOM 0 HE22 GLN A 32 4.929 11.251 6.502 1.00 0.52 H new ATOM 542 N ALA A 33 7.830 5.182 5.895 1.00 0.18 N ATOM 543 CA ALA A 33 8.647 4.120 6.462 1.00 0.19 C ATOM 544 C ALA A 33 9.935 3.907 5.673 1.00 0.18 C ATOM 545 O ALA A 33 9.935 3.949 4.443 1.00 0.20 O ATOM 546 CB ALA A 33 7.858 2.822 6.533 1.00 0.20 C ATOM 0 H ALA A 33 7.759 5.160 4.878 1.00 0.18 H new ATOM 0 HA ALA A 33 8.924 4.429 7.470 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.484 2.038 6.959 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.978 2.965 7.160 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.545 2.531 5.530 1.00 0.20 H new ATOM 552 N ALA A 34 11.031 3.709 6.405 1.00 0.18 N ATOM 553 CA ALA A 34 12.324 3.395 5.810 1.00 0.20 C ATOM 554 C ALA A 34 12.573 1.889 5.801 1.00 0.17 C ATOM 555 O ALA A 34 13.425 1.396 5.072 1.00 0.21 O ATOM 556 CB ALA A 34 13.427 4.103 6.573 1.00 0.27 C ATOM 0 H ALA A 34 11.045 3.762 7.424 1.00 0.18 H new ATOM 0 HA ALA A 34 12.320 3.742 4.777 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.391 3.865 6.124 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.264 5.180 6.532 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.420 3.774 7.612 1.00 0.27 H new ATOM 562 N ASN A 35 11.855 1.160 6.644 1.00 0.16 N ATOM 563 CA ASN A 35 11.905 -0.300 6.607 1.00 0.20 C ATOM 564 C ASN A 35 10.506 -0.845 6.792 1.00 0.21 C ATOM 565 O ASN A 35 9.649 -0.171 7.363 1.00 0.18 O ATOM 566 CB ASN A 35 12.804 -0.893 7.707 1.00 0.25 C ATOM 567 CG ASN A 35 13.712 0.115 8.387 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.825 0.374 7.936 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.249 0.667 9.500 1.00 0.22 N ATOM 0 H ASN A 35 11.236 1.548 7.356 1.00 0.16 H new ATOM 0 HA ASN A 35 12.325 -0.584 5.642 1.00 0.20 H new ATOM 0 HB2 ASN A 35 12.172 -1.362 8.462 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.418 -1.681 7.271 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.823 1.334 10.016 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.319 0.425 9.841 1.00 0.22 H new ATOM 576 N GLY A 36 10.277 -2.065 6.328 1.00 0.29 N ATOM 577 CA GLY A 36 8.999 -2.711 6.561 1.00 0.33 C ATOM 578 C GLY A 36 8.735 -2.913 8.041 1.00 0.30 C ATOM 579 O GLY A 36 7.592 -2.969 8.477 1.00 0.30 O ATOM 0 H GLY A 36 10.949 -2.618 5.796 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.202 -2.107 6.128 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.980 -3.675 6.053 1.00 0.33 H new ATOM 583 N LEU A 37 9.806 -3.006 8.812 1.00 0.31 N ATOM 584 CA LEU A 37 9.704 -3.127 10.253 1.00 0.31 C ATOM 585 C LEU A 37 9.274 -1.802 10.857 1.00 0.24 C ATOM 586 O LEU A 37 8.511 -1.772 11.819 1.00 0.25 O ATOM 587 CB LEU A 37 11.043 -3.567 10.833 1.00 0.40 C ATOM 588 CG LEU A 37 11.465 -4.999 10.498 1.00 0.76 C ATOM 589 CD1 LEU A 37 12.784 -5.329 11.176 1.00 1.52 C ATOM 590 CD2 LEU A 37 10.389 -5.990 10.918 1.00 1.36 C ATOM 0 H LEU A 37 10.763 -3.000 8.458 1.00 0.31 H new ATOM 0 HA LEU A 37 8.954 -3.879 10.496 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.816 -2.886 10.476 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.002 -3.463 11.917 1.00 0.40 H new ATOM 0 HG LEU A 37 11.596 -5.077 9.419 1.00 0.76 H new ATOM 0 HD11 LEU A 37 13.074 -6.351 10.930 1.00 1.52 H new ATOM 0 HD12 LEU A 37 13.554 -4.640 10.829 1.00 1.52 H new ATOM 0 HD13 LEU A 37 12.672 -5.234 12.256 1.00 1.52 H new ATOM 0 HD21 LEU A 37 10.710 -7.002 10.671 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.224 -5.914 11.993 1.00 1.36 H new ATOM 0 HD23 LEU A 37 9.461 -5.765 10.392 1.00 1.36 H new ATOM 602 N GLN A 38 9.750 -0.704 10.271 1.00 0.20 N ATOM 603 CA GLN A 38 9.299 0.619 10.674 1.00 0.16 C ATOM 604 C GLN A 38 7.818 0.737 10.336 1.00 0.16 C ATOM 605 O GLN A 38 7.024 1.312 11.080 1.00 0.17 O ATOM 606 CB GLN A 38 10.115 1.700 9.952 1.00 0.15 C ATOM 607 CG GLN A 38 10.108 3.068 10.633 1.00 0.19 C ATOM 608 CD GLN A 38 8.761 3.774 10.600 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.425 4.536 11.504 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.988 3.541 9.551 1.00 0.17 N ATOM 0 H GLN A 38 10.442 -0.708 9.522 1.00 0.20 H new ATOM 0 HA GLN A 38 9.443 0.760 11.745 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.146 1.359 9.864 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.728 1.812 8.939 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.416 2.946 11.671 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.851 3.704 10.152 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.300 2.902 8.820 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.081 4.000 9.474 1.00 0.17 H new ATOM 619 N ALA A 39 7.453 0.164 9.201 1.00 0.18 N ATOM 620 CA ALA A 39 6.069 0.127 8.781 1.00 0.22 C ATOM 621 C ALA A 39 5.246 -0.656 9.786 1.00 0.27 C ATOM 622 O ALA A 39 4.120 -0.289 10.091 1.00 0.32 O ATOM 623 CB ALA A 39 5.956 -0.477 7.394 1.00 0.25 C ATOM 0 H ALA A 39 8.102 -0.283 8.554 1.00 0.18 H new ATOM 0 HA ALA A 39 5.680 1.144 8.737 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.909 -0.499 7.091 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.526 0.126 6.687 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.351 -1.493 7.406 1.00 0.25 H new ATOM 629 N LEU A 40 5.846 -1.708 10.331 1.00 0.29 N ATOM 630 CA LEU A 40 5.196 -2.540 11.332 1.00 0.33 C ATOM 631 C LEU A 40 5.031 -1.751 12.620 1.00 0.29 C ATOM 632 O LEU A 40 4.053 -1.924 13.350 1.00 0.30 O ATOM 633 CB LEU A 40 6.019 -3.808 11.581 1.00 0.39 C ATOM 634 CG LEU A 40 5.486 -4.743 12.674 1.00 0.47 C ATOM 635 CD1 LEU A 40 4.124 -5.303 12.289 1.00 1.47 C ATOM 636 CD2 LEU A 40 6.472 -5.872 12.938 1.00 1.42 C ATOM 0 H LEU A 40 6.792 -2.006 10.092 1.00 0.29 H new ATOM 0 HA LEU A 40 4.212 -2.836 10.970 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.081 -4.368 10.648 1.00 0.39 H new ATOM 0 HB3 LEU A 40 7.035 -3.514 11.844 1.00 0.39 H new ATOM 0 HG LEU A 40 5.370 -4.164 13.590 1.00 0.47 H new ATOM 0 HD11 LEU A 40 3.766 -5.963 13.079 1.00 1.47 H new ATOM 0 HD12 LEU A 40 3.419 -4.483 12.153 1.00 1.47 H new ATOM 0 HD13 LEU A 40 4.211 -5.864 11.359 1.00 1.47 H new ATOM 0 HD21 LEU A 40 6.077 -6.525 13.716 1.00 1.42 H new ATOM 0 HD22 LEU A 40 6.621 -6.446 12.023 1.00 1.42 H new ATOM 0 HD23 LEU A 40 7.425 -5.454 13.264 1.00 1.42 H new ATOM 648 N ASP A 41 5.998 -0.877 12.883 1.00 0.27 N ATOM 649 CA ASP A 41 5.906 0.063 13.991 1.00 0.27 C ATOM 650 C ASP A 41 4.624 0.868 13.870 1.00 0.26 C ATOM 651 O ASP A 41 3.817 0.912 14.793 1.00 0.32 O ATOM 652 CB ASP A 41 7.107 1.008 14.001 1.00 0.27 C ATOM 653 CG ASP A 41 8.356 0.385 14.591 1.00 0.55 C ATOM 654 OD1 ASP A 41 8.379 0.131 15.810 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.312 0.116 13.831 1.00 1.31 O ATOM 0 H ASP A 41 6.858 -0.802 12.340 1.00 0.27 H new ATOM 0 HA ASP A 41 5.901 -0.500 14.925 1.00 0.27 H new ATOM 0 HB2 ASP A 41 7.317 1.328 12.980 1.00 0.27 H new ATOM 0 HB3 ASP A 41 6.852 1.902 14.570 1.00 0.27 H new ATOM 660 N ILE A 42 4.415 1.482 12.713 1.00 0.22 N ATOM 661 CA ILE A 42 3.185 2.237 12.494 1.00 0.23 C ATOM 662 C ILE A 42 1.986 1.294 12.434 1.00 0.24 C ATOM 663 O ILE A 42 0.887 1.653 12.837 1.00 0.26 O ATOM 664 CB ILE A 42 3.197 3.091 11.213 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.466 3.957 11.117 1.00 0.20 C ATOM 666 CG2 ILE A 42 1.953 3.967 11.209 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.693 4.852 12.317 1.00 0.22 C ATOM 0 H ILE A 42 5.064 1.475 11.926 1.00 0.22 H new ATOM 0 HA ILE A 42 3.109 2.919 13.341 1.00 0.23 H new ATOM 0 HB ILE A 42 3.198 2.431 10.346 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.330 3.304 10.995 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.404 4.576 10.222 1.00 0.20 H new ATOM 0 HG21 ILE A 42 1.943 4.581 10.308 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.064 3.337 11.229 1.00 0.28 H new ATOM 0 HG23 ILE A 42 1.960 4.612 12.087 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.606 5.429 12.173 1.00 0.22 H new ATOM 0 HD12 ILE A 42 3.848 5.531 12.429 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.788 4.240 13.214 1.00 0.22 H new ATOM 679 N VAL A 43 2.194 0.082 11.942 1.00 0.25 N ATOM 680 CA VAL A 43 1.126 -0.904 11.902 1.00 0.29 C ATOM 681 C VAL A 43 0.620 -1.202 13.311 1.00 0.36 C ATOM 682 O VAL A 43 -0.555 -1.466 13.503 1.00 0.44 O ATOM 683 CB VAL A 43 1.561 -2.213 11.194 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.574 -3.343 11.450 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.692 -1.979 9.699 1.00 0.82 C ATOM 0 H VAL A 43 3.086 -0.240 11.567 1.00 0.25 H new ATOM 0 HA VAL A 43 0.314 -0.475 11.315 1.00 0.29 H new ATOM 0 HB VAL A 43 2.527 -2.506 11.606 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.912 -4.244 10.938 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.511 -3.536 12.521 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.409 -3.059 11.074 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.998 -2.905 9.211 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.732 -1.656 9.296 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.440 -1.208 9.516 1.00 0.82 H new ATOM 695 N THR A 44 1.489 -1.116 14.304 1.00 0.36 N ATOM 696 CA THR A 44 1.059 -1.351 15.677 1.00 0.43 C ATOM 697 C THR A 44 0.724 -0.028 16.370 1.00 0.44 C ATOM 698 O THR A 44 0.073 -0.003 17.417 1.00 0.52 O ATOM 699 CB THR A 44 2.112 -2.141 16.491 1.00 0.45 C ATOM 700 OG1 THR A 44 1.513 -2.638 17.693 1.00 0.54 O ATOM 701 CG2 THR A 44 3.309 -1.272 16.845 1.00 0.42 C ATOM 0 H THR A 44 2.477 -0.890 14.193 1.00 0.36 H new ATOM 0 HA THR A 44 0.159 -1.964 15.633 1.00 0.43 H new ATOM 0 HB THR A 44 2.463 -2.969 15.875 1.00 0.45 H new ATOM 0 HG1 THR A 44 0.813 -2.020 17.990 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.028 -1.859 17.416 1.00 0.42 H new ATOM 0 HG22 THR A 44 3.780 -0.911 15.931 1.00 0.42 H new ATOM 0 HG23 THR A 44 2.978 -0.422 17.442 1.00 0.42 H new ATOM 709 N LYS A 45 1.169 1.070 15.774 1.00 0.39 N ATOM 710 CA LYS A 45 0.895 2.399 16.299 1.00 0.41 C ATOM 711 C LYS A 45 -0.436 2.950 15.789 1.00 0.40 C ATOM 712 O LYS A 45 -1.354 3.201 16.572 1.00 0.45 O ATOM 713 CB LYS A 45 2.022 3.346 15.901 1.00 0.40 C ATOM 714 CG LYS A 45 3.272 3.208 16.758 1.00 0.47 C ATOM 715 CD LYS A 45 4.357 4.182 16.326 1.00 0.56 C ATOM 716 CE LYS A 45 3.892 5.627 16.449 1.00 1.19 C ATOM 717 NZ LYS A 45 3.555 5.990 17.852 1.00 2.01 N ATOM 0 H LYS A 45 1.726 1.065 14.919 1.00 0.39 H new ATOM 0 HA LYS A 45 0.831 2.322 17.384 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.285 3.165 14.859 1.00 0.40 H new ATOM 0 HB3 LYS A 45 1.661 4.372 15.964 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.019 3.385 17.803 1.00 0.47 H new ATOM 0 HG3 LYS A 45 3.650 2.188 16.690 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.247 4.032 16.938 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.641 3.977 15.294 1.00 0.56 H new ATOM 0 HE2 LYS A 45 4.674 6.291 16.081 1.00 1.19 H new ATOM 0 HE3 LYS A 45 3.019 5.781 15.815 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 3.408 7.017 17.919 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 2.686 5.496 18.139 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 4.335 5.710 18.480 1.00 2.01 H new ATOM 731 N GLU A 46 -0.541 3.129 14.479 1.00 0.35 N ATOM 732 CA GLU A 46 -1.731 3.708 13.878 1.00 0.37 C ATOM 733 C GLU A 46 -2.643 2.631 13.299 1.00 0.37 C ATOM 734 O GLU A 46 -3.856 2.813 13.226 1.00 0.41 O ATOM 735 CB GLU A 46 -1.315 4.682 12.777 1.00 0.36 C ATOM 736 CG GLU A 46 -0.319 5.724 13.257 1.00 0.39 C ATOM 737 CD GLU A 46 0.016 6.774 12.217 1.00 1.36 C ATOM 738 OE1 GLU A 46 0.045 6.421 11.016 1.00 2.01 O ATOM 739 OE2 GLU A 46 0.223 7.947 12.585 1.00 2.00 O ATOM 0 H GLU A 46 0.188 2.880 13.811 1.00 0.35 H new ATOM 0 HA GLU A 46 -2.288 4.235 14.653 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.878 4.123 11.950 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -2.201 5.185 12.389 1.00 0.36 H new ATOM 0 HG2 GLU A 46 -0.722 6.218 14.142 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.599 5.222 13.562 1.00 0.39 H new ATOM 746 N ARG A 47 -2.042 1.503 12.910 1.00 0.35 N ATOM 747 CA ARG A 47 -2.745 0.436 12.197 1.00 0.35 C ATOM 748 C ARG A 47 -3.310 0.937 10.867 1.00 0.26 C ATOM 749 O ARG A 47 -4.523 0.876 10.652 1.00 0.31 O ATOM 750 CB ARG A 47 -3.892 -0.167 13.037 1.00 0.48 C ATOM 751 CG ARG A 47 -3.484 -1.322 13.934 1.00 0.73 C ATOM 752 CD ARG A 47 -3.207 -2.568 13.106 1.00 1.59 C ATOM 753 NE ARG A 47 -4.328 -3.514 13.087 1.00 2.33 N ATOM 754 CZ ARG A 47 -4.328 -4.646 12.372 1.00 3.40 C ATOM 755 NH1 ARG A 47 -3.309 -4.924 11.566 1.00 3.94 N ATOM 756 NH2 ARG A 47 -5.342 -5.501 12.459 1.00 4.15 N ATOM 0 H ARG A 47 -1.056 1.305 13.081 1.00 0.35 H new ATOM 0 HA ARG A 47 -2.006 -0.343 12.008 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -4.324 0.620 13.655 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.677 -0.509 12.362 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.595 -1.051 14.503 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -4.275 -1.526 14.656 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.974 -2.272 12.083 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.324 -3.070 13.502 1.00 1.59 H new ATOM 0 HE ARG A 47 -5.152 -3.298 13.649 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -2.526 -4.275 11.492 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -3.310 -5.787 11.022 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -6.129 -5.297 13.075 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -5.333 -6.361 11.910 1.00 4.15 H new ATOM 770 N PRO A 48 -2.459 1.452 9.950 1.00 0.19 N ATOM 771 CA PRO A 48 -2.930 1.881 8.636 1.00 0.17 C ATOM 772 C PRO A 48 -3.585 0.733 7.865 1.00 0.22 C ATOM 773 O PRO A 48 -3.157 -0.416 7.973 1.00 0.33 O ATOM 774 CB PRO A 48 -1.675 2.376 7.924 1.00 0.19 C ATOM 775 CG PRO A 48 -0.693 2.649 9.010 1.00 0.22 C ATOM 776 CD PRO A 48 -1.004 1.663 10.102 1.00 0.22 C ATOM 0 HA PRO A 48 -3.698 2.651 8.712 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.295 1.627 7.229 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -1.880 3.275 7.343 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.329 2.527 8.652 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.784 3.674 9.371 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.446 0.735 9.979 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.753 2.058 11.087 1.00 0.22 H new ATOM 784 N ASP A 49 -4.623 1.046 7.096 1.00 0.23 N ATOM 785 CA ASP A 49 -5.402 0.024 6.404 1.00 0.29 C ATOM 786 C ASP A 49 -4.684 -0.390 5.139 1.00 0.25 C ATOM 787 O ASP A 49 -4.727 -1.552 4.735 1.00 0.31 O ATOM 788 CB ASP A 49 -6.795 0.547 6.038 1.00 0.37 C ATOM 789 CG ASP A 49 -7.504 1.197 7.203 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.325 2.414 7.419 1.00 2.12 O ATOM 791 OD2 ASP A 49 -8.265 0.493 7.901 1.00 1.40 O ATOM 0 H ASP A 49 -4.945 2.001 6.936 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.513 -0.830 7.073 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -6.705 1.268 5.226 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -7.401 -0.279 5.665 1.00 0.37 H new ATOM 796 N LEU A 50 -4.024 0.579 4.521 1.00 0.21 N ATOM 797 CA LEU A 50 -3.300 0.344 3.283 1.00 0.22 C ATOM 798 C LEU A 50 -1.821 0.373 3.559 1.00 0.19 C ATOM 799 O LEU A 50 -1.364 1.127 4.409 1.00 0.20 O ATOM 800 CB LEU A 50 -3.634 1.399 2.219 1.00 0.28 C ATOM 801 CG LEU A 50 -4.948 1.228 1.445 1.00 0.46 C ATOM 802 CD1 LEU A 50 -4.909 -0.023 0.588 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.146 1.201 2.380 1.00 1.21 C ATOM 0 H LEU A 50 -3.976 1.540 4.860 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.600 -0.631 2.899 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.654 2.374 2.706 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -2.818 1.420 1.497 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.059 2.092 0.790 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -5.851 -0.124 0.048 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -4.088 0.050 -0.125 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -4.760 -0.895 1.224 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.059 1.079 1.798 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -6.045 0.368 3.076 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -6.194 2.136 2.937 1.00 1.21 H new ATOM 815 N VAL A 51 -1.081 -0.464 2.873 1.00 0.22 N ATOM 816 CA VAL A 51 0.360 -0.454 2.999 1.00 0.23 C ATOM 817 C VAL A 51 1.022 -0.323 1.646 1.00 0.27 C ATOM 818 O VAL A 51 0.967 -1.235 0.837 1.00 0.48 O ATOM 819 CB VAL A 51 0.901 -1.726 3.656 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.402 -1.608 3.864 1.00 0.34 C ATOM 821 CG2 VAL A 51 0.190 -2.021 4.969 1.00 0.40 C ATOM 0 H VAL A 51 -1.449 -1.159 2.223 1.00 0.22 H new ATOM 0 HA VAL A 51 0.594 0.404 3.630 1.00 0.23 H new ATOM 0 HB VAL A 51 0.705 -2.564 2.987 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.777 -2.518 4.332 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.893 -1.466 2.901 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.614 -0.755 4.508 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.599 -2.931 5.408 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.336 -1.188 5.657 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -0.876 -2.155 4.784 1.00 0.40 H new ATOM 831 N LEU A 52 1.633 0.811 1.419 1.00 0.23 N ATOM 832 CA LEU A 52 2.523 0.995 0.298 1.00 0.26 C ATOM 833 C LEU A 52 3.886 0.468 0.684 1.00 0.23 C ATOM 834 O LEU A 52 4.504 0.999 1.588 1.00 0.26 O ATOM 835 CB LEU A 52 2.625 2.480 -0.054 1.00 0.30 C ATOM 836 CG LEU A 52 1.617 2.976 -1.080 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.921 4.405 -1.476 1.00 1.08 C ATOM 838 CD2 LEU A 52 1.610 2.079 -2.304 1.00 1.37 C ATOM 0 H LEU A 52 1.528 1.637 2.008 1.00 0.23 H new ATOM 0 HA LEU A 52 2.142 0.459 -0.571 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.505 3.062 0.860 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.629 2.679 -0.429 1.00 0.30 H new ATOM 0 HG LEU A 52 0.627 2.945 -0.626 1.00 0.45 H new ATOM 0 HD11 LEU A 52 1.190 4.742 -2.210 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.872 5.045 -0.595 1.00 1.08 H new ATOM 0 HD13 LEU A 52 2.920 4.458 -1.908 1.00 1.08 H new ATOM 0 HD21 LEU A 52 0.882 2.452 -3.024 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.601 2.075 -2.758 1.00 1.37 H new ATOM 0 HD23 LEU A 52 1.342 1.064 -2.010 1.00 1.37 H new ATOM 850 N LEU A 53 4.357 -0.580 0.046 1.00 0.22 N ATOM 851 CA LEU A 53 5.630 -1.151 0.470 1.00 0.22 C ATOM 852 C LEU A 53 6.596 -1.327 -0.695 1.00 0.19 C ATOM 853 O LEU A 53 6.229 -1.862 -1.750 1.00 0.20 O ATOM 854 CB LEU A 53 5.377 -2.475 1.202 1.00 0.31 C ATOM 855 CG LEU A 53 6.607 -3.180 1.797 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.588 -2.188 2.388 1.00 1.20 C ATOM 857 CD2 LEU A 53 6.168 -4.144 2.879 1.00 0.96 C ATOM 0 H LEU A 53 3.903 -1.045 -0.740 1.00 0.22 H new ATOM 0 HA LEU A 53 6.110 -0.454 1.157 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.668 -2.288 2.009 1.00 0.31 H new ATOM 0 HB3 LEU A 53 4.894 -3.162 0.507 1.00 0.31 H new ATOM 0 HG LEU A 53 7.105 -3.716 0.989 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.444 -2.723 2.799 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.927 -1.504 1.610 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.100 -1.622 3.181 1.00 1.20 H new ATOM 0 HD21 LEU A 53 7.042 -4.642 3.299 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.650 -3.596 3.666 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.496 -4.889 2.452 1.00 0.96 H new ATOM 869 N ASP A 54 7.823 -0.824 -0.510 1.00 0.20 N ATOM 870 CA ASP A 54 8.903 -1.073 -1.451 1.00 0.19 C ATOM 871 C ASP A 54 9.800 -2.185 -0.925 1.00 0.18 C ATOM 872 O ASP A 54 10.113 -2.239 0.265 1.00 0.24 O ATOM 873 CB ASP A 54 9.724 0.198 -1.688 1.00 0.23 C ATOM 874 CG ASP A 54 10.933 -0.040 -2.573 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.845 -0.870 -3.500 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.982 0.591 -2.336 1.00 0.83 O ATOM 0 H ASP A 54 8.085 -0.243 0.286 1.00 0.20 H new ATOM 0 HA ASP A 54 8.469 -1.380 -2.402 1.00 0.19 H new ATOM 0 HB2 ASP A 54 9.088 0.956 -2.145 1.00 0.23 H new ATOM 0 HB3 ASP A 54 10.054 0.596 -0.729 1.00 0.23 H new ATOM 881 N MET A 55 10.197 -3.082 -1.810 1.00 0.27 N ATOM 882 CA MET A 55 11.046 -4.199 -1.443 1.00 0.31 C ATOM 883 C MET A 55 12.499 -3.877 -1.783 1.00 0.32 C ATOM 884 O MET A 55 13.422 -4.526 -1.292 1.00 0.43 O ATOM 885 CB MET A 55 10.528 -5.492 -2.110 1.00 0.38 C ATOM 886 CG MET A 55 11.570 -6.361 -2.801 1.00 0.48 C ATOM 887 SD MET A 55 12.017 -5.741 -4.438 1.00 1.23 S ATOM 888 CE MET A 55 13.109 -7.037 -5.016 1.00 1.60 C ATOM 0 H MET A 55 9.941 -3.057 -2.797 1.00 0.27 H new ATOM 0 HA MET A 55 11.009 -4.370 -0.367 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.031 -6.094 -1.349 1.00 0.38 H new ATOM 0 HB3 MET A 55 9.770 -5.218 -2.844 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.464 -6.413 -2.180 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.187 -7.377 -2.894 1.00 0.48 H new ATOM 0 HE1 MET A 55 13.466 -6.793 -6.017 1.00 1.60 H new ATOM 0 HE2 MET A 55 13.959 -7.125 -4.339 1.00 1.60 H new ATOM 0 HE3 MET A 55 12.568 -7.983 -5.044 1.00 1.60 H new ATOM 898 N LYS A 56 12.692 -2.816 -2.563 1.00 0.29 N ATOM 899 CA LYS A 56 14.027 -2.314 -2.881 1.00 0.35 C ATOM 900 C LYS A 56 14.501 -1.414 -1.755 1.00 0.30 C ATOM 901 O LYS A 56 15.515 -0.726 -1.876 1.00 0.37 O ATOM 902 CB LYS A 56 14.010 -1.475 -4.159 1.00 0.49 C ATOM 903 CG LYS A 56 13.239 -2.085 -5.305 1.00 0.76 C ATOM 904 CD LYS A 56 12.795 -1.006 -6.275 1.00 1.11 C ATOM 905 CE LYS A 56 11.966 -1.581 -7.401 1.00 1.26 C ATOM 906 NZ LYS A 56 12.783 -2.436 -8.300 1.00 2.37 N ATOM 0 H LYS A 56 11.934 -2.283 -2.990 1.00 0.29 H new ATOM 0 HA LYS A 56 14.685 -3.172 -3.014 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.583 -0.499 -3.931 1.00 0.49 H new ATOM 0 HB3 LYS A 56 15.038 -1.306 -4.480 1.00 0.49 H new ATOM 0 HG2 LYS A 56 13.861 -2.815 -5.823 1.00 0.76 H new ATOM 0 HG3 LYS A 56 12.370 -2.620 -4.923 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.215 -0.253 -5.742 1.00 1.11 H new ATOM 0 HD3 LYS A 56 13.670 -0.502 -6.686 1.00 1.11 H new ATOM 0 HE2 LYS A 56 11.146 -2.167 -6.987 1.00 1.26 H new ATOM 0 HE3 LYS A 56 11.520 -0.770 -7.976 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 12.219 -2.703 -9.132 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 13.626 -1.910 -8.607 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 13.076 -3.294 -7.791 1.00 2.37 H new ATOM 920 N ILE A 57 13.764 -1.437 -0.657 1.00 0.24 N ATOM 921 CA ILE A 57 13.956 -0.474 0.401 1.00 0.24 C ATOM 922 C ILE A 57 15.167 -0.852 1.257 1.00 0.29 C ATOM 923 O ILE A 57 15.287 -1.978 1.742 1.00 0.32 O ATOM 924 CB ILE A 57 12.651 -0.303 1.249 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.311 1.176 1.363 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.755 -0.933 2.639 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.298 1.985 2.166 1.00 0.29 C ATOM 0 H ILE A 57 13.025 -2.118 -0.480 1.00 0.24 H new ATOM 0 HA ILE A 57 14.168 0.498 -0.044 1.00 0.24 H new ATOM 0 HB ILE A 57 11.853 -0.833 0.729 1.00 0.22 H new ATOM 0 HG12 ILE A 57 12.245 1.599 0.361 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.325 1.275 1.817 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.820 -0.781 3.178 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.948 -2.001 2.541 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.571 -0.466 3.190 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.977 3.026 2.195 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.349 1.593 3.182 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.283 1.922 1.703 1.00 0.29 H new ATOM 939 N PRO A 58 16.128 0.078 1.359 1.00 0.33 N ATOM 940 CA PRO A 58 17.326 -0.099 2.178 1.00 0.38 C ATOM 941 C PRO A 58 16.985 -0.400 3.631 1.00 0.37 C ATOM 942 O PRO A 58 16.306 0.381 4.298 1.00 0.37 O ATOM 943 CB PRO A 58 18.047 1.239 2.060 1.00 0.43 C ATOM 944 CG PRO A 58 17.526 1.856 0.809 1.00 0.41 C ATOM 945 CD PRO A 58 16.122 1.368 0.655 1.00 0.36 C ATOM 0 HA PRO A 58 17.928 -0.944 1.844 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.846 1.872 2.924 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.127 1.101 2.010 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.555 2.944 0.870 1.00 0.41 H new ATOM 0 HG3 PRO A 58 18.134 1.569 -0.049 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.405 2.062 1.095 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.850 1.251 -0.394 1.00 0.36 H new ATOM 953 N GLY A 59 17.454 -1.537 4.113 1.00 0.41 N ATOM 954 CA GLY A 59 17.118 -1.967 5.450 1.00 0.44 C ATOM 955 C GLY A 59 16.606 -3.382 5.457 1.00 0.42 C ATOM 956 O GLY A 59 17.305 -4.312 5.856 1.00 0.55 O ATOM 0 H GLY A 59 18.064 -2.173 3.599 1.00 0.41 H new ATOM 0 HA2 GLY A 59 17.997 -1.893 6.090 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.362 -1.303 5.869 1.00 0.44 H new ATOM 960 N MET A 60 15.382 -3.532 4.990 1.00 0.38 N ATOM 961 CA MET A 60 14.739 -4.836 4.902 1.00 0.39 C ATOM 962 C MET A 60 14.105 -5.035 3.539 1.00 0.36 C ATOM 963 O MET A 60 13.866 -4.078 2.808 1.00 0.34 O ATOM 964 CB MET A 60 13.661 -4.991 5.974 1.00 0.40 C ATOM 965 CG MET A 60 14.204 -5.198 7.379 1.00 0.53 C ATOM 966 SD MET A 60 15.102 -6.756 7.544 1.00 0.78 S ATOM 967 CE MET A 60 15.699 -6.632 9.230 1.00 1.51 C ATOM 0 H MET A 60 14.804 -2.759 4.661 1.00 0.38 H new ATOM 0 HA MET A 60 15.513 -5.588 5.057 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.029 -4.103 5.968 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.025 -5.837 5.714 1.00 0.40 H new ATOM 0 HG2 MET A 60 14.866 -4.371 7.636 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.379 -5.179 8.091 1.00 0.53 H new ATOM 0 HE1 MET A 60 16.690 -7.080 9.299 1.00 1.51 H new ATOM 0 HE2 MET A 60 15.754 -5.583 9.520 1.00 1.51 H new ATOM 0 HE3 MET A 60 15.016 -7.158 9.897 1.00 1.51 H new ATOM 977 N ASP A 61 13.796 -6.278 3.218 1.00 0.38 N ATOM 978 CA ASP A 61 13.140 -6.591 1.956 1.00 0.38 C ATOM 979 C ASP A 61 11.644 -6.524 2.138 1.00 0.32 C ATOM 980 O ASP A 61 11.050 -7.420 2.736 1.00 0.33 O ATOM 981 CB ASP A 61 13.515 -7.966 1.424 1.00 0.48 C ATOM 982 CG ASP A 61 14.993 -8.118 1.131 1.00 0.70 C ATOM 983 OD1 ASP A 61 15.446 -7.616 0.083 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.703 -8.760 1.931 1.00 0.84 O ATOM 0 H ASP A 61 13.987 -7.087 3.810 1.00 0.38 H new ATOM 0 HA ASP A 61 13.477 -5.854 1.227 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.217 -8.722 2.151 1.00 0.48 H new ATOM 0 HB3 ASP A 61 12.950 -8.161 0.512 1.00 0.48 H new ATOM 989 N GLY A 62 11.043 -5.457 1.629 1.00 0.33 N ATOM 990 CA GLY A 62 9.617 -5.240 1.792 1.00 0.37 C ATOM 991 C GLY A 62 8.780 -6.443 1.394 1.00 0.36 C ATOM 992 O GLY A 62 7.700 -6.653 1.940 1.00 0.40 O ATOM 0 H GLY A 62 11.524 -4.729 1.100 1.00 0.33 H new ATOM 0 HA2 GLY A 62 9.411 -4.990 2.833 1.00 0.37 H new ATOM 0 HA3 GLY A 62 9.316 -4.381 1.192 1.00 0.37 H new ATOM 996 N ILE A 63 9.281 -7.230 0.444 1.00 0.35 N ATOM 997 CA ILE A 63 8.616 -8.461 0.041 1.00 0.36 C ATOM 998 C ILE A 63 8.283 -9.329 1.260 1.00 0.32 C ATOM 999 O ILE A 63 7.125 -9.694 1.468 1.00 0.33 O ATOM 1000 CB ILE A 63 9.471 -9.259 -0.990 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.841 -10.624 -1.285 1.00 0.64 C ATOM 1002 CG2 ILE A 63 10.906 -9.430 -0.507 1.00 0.39 C ATOM 1003 CD1 ILE A 63 7.452 -10.541 -1.881 1.00 1.60 C ATOM 0 H ILE A 63 10.146 -7.034 -0.060 1.00 0.35 H new ATOM 0 HA ILE A 63 7.681 -8.185 -0.446 1.00 0.36 H new ATOM 0 HB ILE A 63 9.492 -8.681 -1.914 1.00 0.42 H new ATOM 0 HG12 ILE A 63 9.488 -11.172 -1.970 1.00 0.64 H new ATOM 0 HG13 ILE A 63 8.796 -11.200 -0.361 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.475 -9.990 -1.249 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.361 -8.450 -0.365 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.909 -9.972 0.439 1.00 0.39 H new ATOM 0 HD11 ILE A 63 7.073 -11.547 -2.062 1.00 1.60 H new ATOM 0 HD12 ILE A 63 6.789 -10.022 -1.188 1.00 1.60 H new ATOM 0 HD13 ILE A 63 7.492 -9.994 -2.823 1.00 1.60 H new ATOM 1015 N GLU A 64 9.282 -9.594 2.089 1.00 0.31 N ATOM 1016 CA GLU A 64 9.112 -10.449 3.255 1.00 0.33 C ATOM 1017 C GLU A 64 8.203 -9.790 4.286 1.00 0.28 C ATOM 1018 O GLU A 64 7.402 -10.460 4.940 1.00 0.30 O ATOM 1019 CB GLU A 64 10.474 -10.741 3.881 1.00 0.40 C ATOM 1020 CG GLU A 64 11.467 -11.363 2.914 1.00 0.49 C ATOM 1021 CD GLU A 64 11.261 -12.852 2.738 1.00 0.69 C ATOM 1022 OE1 GLU A 64 10.360 -13.240 1.965 1.00 0.86 O ATOM 1023 OE2 GLU A 64 11.996 -13.642 3.361 1.00 0.97 O ATOM 0 H GLU A 64 10.226 -9.226 1.974 1.00 0.31 H new ATOM 0 HA GLU A 64 8.648 -11.381 2.934 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.892 -9.813 4.271 1.00 0.40 H new ATOM 0 HB3 GLU A 64 10.338 -11.411 4.730 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.380 -10.872 1.945 1.00 0.49 H new ATOM 0 HG3 GLU A 64 12.480 -11.181 3.273 1.00 0.49 H new ATOM 1030 N ILE A 65 8.320 -8.472 4.420 1.00 0.27 N ATOM 1031 CA ILE A 65 7.516 -7.737 5.391 1.00 0.27 C ATOM 1032 C ILE A 65 6.032 -7.812 5.042 1.00 0.27 C ATOM 1033 O ILE A 65 5.206 -8.102 5.910 1.00 0.29 O ATOM 1034 CB ILE A 65 7.946 -6.248 5.533 1.00 0.28 C ATOM 1035 CG1 ILE A 65 9.261 -6.121 6.317 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.856 -5.435 6.219 1.00 0.34 C ATOM 1037 CD1 ILE A 65 10.485 -6.534 5.534 1.00 0.32 C ATOM 0 H ILE A 65 8.959 -7.895 3.873 1.00 0.27 H new ATOM 0 HA ILE A 65 7.690 -8.221 6.352 1.00 0.27 H new ATOM 0 HB ILE A 65 8.103 -5.855 4.529 1.00 0.28 H new ATOM 0 HG12 ILE A 65 9.381 -5.087 6.640 1.00 0.30 H new ATOM 0 HG13 ILE A 65 9.195 -6.731 7.218 1.00 0.30 H new ATOM 0 HG21 ILE A 65 7.178 -4.397 6.308 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.941 -5.482 5.629 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.668 -5.843 7.212 1.00 0.34 H new ATOM 0 HD11 ILE A 65 11.372 -6.416 6.156 1.00 0.32 H new ATOM 0 HD12 ILE A 65 10.390 -7.577 5.233 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.578 -5.908 4.647 1.00 0.32 H new ATOM 1049 N LEU A 66 5.682 -7.594 3.773 1.00 0.29 N ATOM 1050 CA LEU A 66 4.277 -7.621 3.395 1.00 0.34 C ATOM 1051 C LEU A 66 3.781 -9.055 3.355 1.00 0.32 C ATOM 1052 O LEU A 66 2.579 -9.311 3.462 1.00 0.34 O ATOM 1053 CB LEU A 66 4.020 -6.907 2.061 1.00 0.52 C ATOM 1054 CG LEU A 66 2.802 -5.969 2.080 1.00 1.02 C ATOM 1055 CD1 LEU A 66 2.829 -5.084 3.312 1.00 1.98 C ATOM 1056 CD2 LEU A 66 2.749 -5.098 0.838 1.00 1.67 C ATOM 0 H LEU A 66 6.334 -7.402 3.012 1.00 0.29 H new ATOM 0 HA LEU A 66 3.716 -7.072 4.152 1.00 0.34 H new ATOM 0 HB2 LEU A 66 4.905 -6.331 1.792 1.00 0.52 H new ATOM 0 HB3 LEU A 66 3.878 -7.655 1.281 1.00 0.52 H new ATOM 0 HG LEU A 66 1.912 -6.597 2.101 1.00 1.02 H new ATOM 0 HD11 LEU A 66 1.959 -4.427 3.307 1.00 1.98 H new ATOM 0 HD12 LEU A 66 2.810 -5.706 4.207 1.00 1.98 H new ATOM 0 HD13 LEU A 66 3.738 -4.482 3.308 1.00 1.98 H new ATOM 0 HD21 LEU A 66 1.875 -4.448 0.886 1.00 1.67 H new ATOM 0 HD22 LEU A 66 3.651 -4.489 0.782 1.00 1.67 H new ATOM 0 HD23 LEU A 66 2.682 -5.730 -0.047 1.00 1.67 H new ATOM 1068 N LYS A 67 4.712 -9.989 3.210 1.00 0.32 N ATOM 1069 CA LYS A 67 4.402 -11.393 3.387 1.00 0.37 C ATOM 1070 C LYS A 67 3.858 -11.635 4.790 1.00 0.38 C ATOM 1071 O LYS A 67 2.743 -12.140 4.959 1.00 0.44 O ATOM 1072 CB LYS A 67 5.640 -12.251 3.120 1.00 0.42 C ATOM 1073 CG LYS A 67 5.930 -12.404 1.635 1.00 0.40 C ATOM 1074 CD LYS A 67 7.193 -13.183 1.357 1.00 0.43 C ATOM 1075 CE LYS A 67 7.275 -14.437 2.199 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.541 -15.178 1.965 1.00 1.27 N ATOM 0 H LYS A 67 5.685 -9.796 2.971 1.00 0.32 H new ATOM 0 HA LYS A 67 3.634 -11.680 2.668 1.00 0.37 H new ATOM 0 HB2 LYS A 67 6.503 -11.802 3.612 1.00 0.42 H new ATOM 0 HB3 LYS A 67 5.498 -13.237 3.563 1.00 0.42 H new ATOM 0 HG2 LYS A 67 5.088 -12.904 1.156 1.00 0.40 H new ATOM 0 HG3 LYS A 67 6.013 -11.416 1.183 1.00 0.40 H new ATOM 0 HD2 LYS A 67 7.230 -13.451 0.301 1.00 0.43 H new ATOM 0 HD3 LYS A 67 8.060 -12.553 1.557 1.00 0.43 H new ATOM 0 HE2 LYS A 67 7.199 -14.172 3.254 1.00 1.34 H new ATOM 0 HE3 LYS A 67 6.428 -15.084 1.971 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.622 -15.953 2.654 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 8.541 -15.569 1.001 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 9.348 -14.531 2.076 1.00 1.27 H new ATOM 1090 N ARG A 68 4.627 -11.215 5.790 1.00 0.35 N ATOM 1091 CA ARG A 68 4.221 -11.338 7.179 1.00 0.41 C ATOM 1092 C ARG A 68 2.932 -10.560 7.438 1.00 0.39 C ATOM 1093 O ARG A 68 2.130 -10.961 8.260 1.00 0.46 O ATOM 1094 CB ARG A 68 5.327 -10.829 8.104 1.00 0.45 C ATOM 1095 CG ARG A 68 5.159 -11.287 9.541 1.00 0.49 C ATOM 1096 CD ARG A 68 5.314 -12.790 9.636 1.00 1.11 C ATOM 1097 NE ARG A 68 4.811 -13.327 10.901 1.00 1.70 N ATOM 1098 CZ ARG A 68 5.099 -14.545 11.356 1.00 2.45 C ATOM 1099 NH1 ARG A 68 5.947 -15.330 10.699 1.00 2.71 N ATOM 1100 NH2 ARG A 68 4.550 -14.977 12.482 1.00 3.22 N ATOM 0 H ARG A 68 5.542 -10.783 5.658 1.00 0.35 H new ATOM 0 HA ARG A 68 4.040 -12.393 7.386 1.00 0.41 H new ATOM 0 HB2 ARG A 68 6.292 -11.172 7.730 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.343 -9.739 8.076 1.00 0.45 H new ATOM 0 HG2 ARG A 68 5.899 -10.798 10.174 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.177 -10.992 9.911 1.00 0.49 H new ATOM 0 HD2 ARG A 68 4.782 -13.260 8.809 1.00 1.11 H new ATOM 0 HD3 ARG A 68 6.367 -13.051 9.527 1.00 1.11 H new ATOM 0 HE ARG A 68 4.204 -12.734 11.467 1.00 1.70 H new ATOM 0 HH11 ARG A 68 6.384 -15.001 9.838 1.00 2.71 H new ATOM 0 HH12 ARG A 68 6.161 -16.261 11.056 1.00 2.71 H new ATOM 0 HH21 ARG A 68 3.908 -14.377 12.999 1.00 3.22 H new ATOM 0 HH22 ARG A 68 4.770 -15.910 12.831 1.00 3.22 H new ATOM 1114 N MET A 69 2.749 -9.448 6.736 1.00 0.34 N ATOM 1115 CA MET A 69 1.532 -8.641 6.856 1.00 0.36 C ATOM 1116 C MET A 69 0.288 -9.449 6.522 1.00 0.41 C ATOM 1117 O MET A 69 -0.692 -9.438 7.272 1.00 0.45 O ATOM 1118 CB MET A 69 1.616 -7.433 5.932 1.00 0.38 C ATOM 1119 CG MET A 69 2.669 -6.431 6.367 1.00 0.42 C ATOM 1120 SD MET A 69 2.349 -5.747 8.004 1.00 1.16 S ATOM 1121 CE MET A 69 3.781 -4.691 8.216 1.00 1.18 C ATOM 0 H MET A 69 3.430 -9.079 6.073 1.00 0.34 H new ATOM 0 HA MET A 69 1.455 -8.311 7.892 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.839 -7.771 4.920 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.645 -6.940 5.897 1.00 0.38 H new ATOM 0 HG2 MET A 69 3.646 -6.914 6.365 1.00 0.42 H new ATOM 0 HG3 MET A 69 2.713 -5.619 5.641 1.00 0.42 H new ATOM 0 HE1 MET A 69 3.774 -4.265 9.219 1.00 1.18 H new ATOM 0 HE2 MET A 69 4.689 -5.277 8.077 1.00 1.18 H new ATOM 0 HE3 MET A 69 3.752 -3.887 7.481 1.00 1.18 H new ATOM 1131 N LYS A 70 0.314 -10.141 5.389 1.00 0.47 N ATOM 1132 CA LYS A 70 -0.812 -11.011 5.031 1.00 0.60 C ATOM 1133 C LYS A 70 -0.955 -12.076 6.102 1.00 0.66 C ATOM 1134 O LYS A 70 -2.052 -12.479 6.461 1.00 0.90 O ATOM 1135 CB LYS A 70 -0.644 -11.683 3.652 1.00 0.80 C ATOM 1136 CG LYS A 70 -0.012 -10.806 2.608 1.00 0.98 C ATOM 1137 CD LYS A 70 -0.549 -9.404 2.646 1.00 1.71 C ATOM 1138 CE LYS A 70 0.117 -8.569 1.585 1.00 2.51 C ATOM 1139 NZ LYS A 70 -0.286 -9.013 0.227 1.00 3.32 N ATOM 0 H LYS A 70 1.079 -10.123 4.714 1.00 0.47 H new ATOM 0 HA LYS A 70 -1.705 -10.389 4.967 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -0.038 -12.581 3.770 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -1.623 -12.004 3.296 1.00 0.80 H new ATOM 0 HG2 LYS A 70 1.067 -10.784 2.759 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -0.188 -11.234 1.621 1.00 0.98 H new ATOM 0 HD2 LYS A 70 -1.628 -9.414 2.489 1.00 1.71 H new ATOM 0 HD3 LYS A 70 -0.375 -8.965 3.628 1.00 1.71 H new ATOM 0 HE2 LYS A 70 -0.149 -7.521 1.722 1.00 2.51 H new ATOM 0 HE3 LYS A 70 1.200 -8.640 1.688 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 -0.381 -8.185 -0.395 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 0.437 -9.653 -0.158 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 -1.197 -9.512 0.281 1.00 3.32 H new ATOM 1153 N VAL A 71 0.181 -12.477 6.638 1.00 0.59 N ATOM 1154 CA VAL A 71 0.229 -13.446 7.717 1.00 0.66 C ATOM 1155 C VAL A 71 -0.430 -12.882 8.980 1.00 0.67 C ATOM 1156 O VAL A 71 -1.038 -13.615 9.760 1.00 0.79 O ATOM 1157 CB VAL A 71 1.687 -13.824 8.002 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.792 -14.704 9.224 1.00 0.76 C ATOM 1159 CG2 VAL A 71 2.310 -14.518 6.802 1.00 0.75 C ATOM 0 H VAL A 71 1.096 -12.141 6.339 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.322 -14.337 7.416 1.00 0.66 H new ATOM 0 HB VAL A 71 2.235 -12.902 8.195 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.837 -14.956 9.402 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.394 -14.174 10.089 1.00 0.76 H new ATOM 0 HG13 VAL A 71 1.220 -15.618 9.064 1.00 0.76 H new ATOM 0 HG21 VAL A 71 3.344 -14.777 7.028 1.00 0.75 H new ATOM 0 HG22 VAL A 71 1.750 -15.425 6.575 1.00 0.75 H new ATOM 0 HG23 VAL A 71 2.283 -13.850 5.941 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.325 -11.571 9.158 1.00 0.59 N ATOM 1170 CA ILE A 72 -0.879 -10.904 10.329 1.00 0.64 C ATOM 1171 C ILE A 72 -2.400 -10.795 10.242 1.00 0.66 C ATOM 1172 O ILE A 72 -3.104 -11.025 11.228 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.300 -9.475 10.495 1.00 0.62 C ATOM 1174 CG1 ILE A 72 1.225 -9.497 10.610 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.907 -8.773 11.702 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.752 -10.467 11.647 1.00 1.48 C ATOM 0 H ILE A 72 0.142 -10.945 8.502 1.00 0.59 H new ATOM 0 HA ILE A 72 -0.603 -11.514 11.189 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.565 -8.915 9.598 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.648 -9.754 9.639 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.575 -8.494 10.855 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.482 -7.773 11.793 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -1.987 -8.698 11.574 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.687 -9.344 12.604 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.841 -10.422 11.667 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.360 -10.199 12.628 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.435 -11.479 11.393 1.00 1.48 H new ATOM 1188 N ASP A 73 -2.909 -10.461 9.059 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.341 -10.183 8.912 1.00 0.67 C ATOM 1190 C ASP A 73 -5.009 -11.005 7.812 1.00 0.72 C ATOM 1191 O ASP A 73 -5.906 -11.800 8.087 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.575 -8.695 8.617 1.00 0.64 C ATOM 1193 CG ASP A 73 -4.319 -7.793 9.812 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -4.985 -7.969 10.853 1.00 0.91 O ATOM 1195 OD2 ASP A 73 -3.469 -6.888 9.709 1.00 1.88 O ATOM 0 H ASP A 73 -2.365 -10.376 8.200 1.00 0.61 H new ATOM 0 HA ASP A 73 -4.794 -10.466 9.862 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -3.927 -8.389 7.796 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -5.603 -8.557 8.281 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.578 -10.761 6.569 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.252 -11.249 5.345 1.00 0.75 C ATOM 1202 C GLU A 74 -6.451 -10.362 5.082 1.00 0.74 C ATOM 1203 O GLU A 74 -7.265 -10.599 4.192 1.00 0.86 O ATOM 1204 CB GLU A 74 -5.686 -12.714 5.432 1.00 0.88 C ATOM 1205 CG GLU A 74 -4.529 -13.674 5.580 1.00 0.99 C ATOM 1206 CD GLU A 74 -4.974 -15.112 5.695 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -5.467 -15.501 6.775 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -4.836 -15.859 4.707 1.00 1.31 O ATOM 0 H GLU A 74 -3.740 -10.212 6.375 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.536 -11.201 4.525 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.360 -12.836 6.280 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.250 -12.972 4.536 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -3.865 -13.571 4.721 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -3.951 -13.405 6.464 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.520 -9.336 5.902 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.547 -8.321 5.848 1.00 0.74 C ATOM 1217 C ASN A 75 -6.870 -6.994 5.601 1.00 0.67 C ATOM 1218 O ASN A 75 -7.509 -5.964 5.395 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.281 -8.302 7.181 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.182 -9.505 7.353 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.385 -9.437 7.099 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -8.603 -10.621 7.768 1.00 1.00 N ATOM 0 H ASN A 75 -5.841 -9.181 6.648 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.265 -8.521 5.053 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -7.555 -8.275 7.994 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -8.875 -7.391 7.254 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.157 -11.469 7.889 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -7.603 -10.633 7.967 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.546 -7.055 5.642 1.00 0.57 N ATOM 1230 CA ILE A 76 -4.698 -5.904 5.422 1.00 0.51 C ATOM 1231 C ILE A 76 -4.655 -5.550 3.937 1.00 0.40 C ATOM 1232 O ILE A 76 -4.318 -6.381 3.089 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.275 -6.161 5.974 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.417 -4.908 5.814 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.617 -7.370 5.299 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.100 -4.976 6.558 1.00 0.59 C ATOM 0 H ILE A 76 -5.031 -7.915 5.831 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.118 -5.055 5.961 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.359 -6.394 7.035 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.218 -4.747 4.754 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -2.980 -4.044 6.168 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.619 -7.519 5.712 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.221 -8.260 5.478 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.542 -7.192 4.226 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -0.544 -4.052 6.399 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -1.290 -5.106 7.623 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -0.516 -5.819 6.188 1.00 0.59 H new ATOM 1248 N ARG A 77 -5.030 -4.322 3.624 1.00 0.42 N ATOM 1249 CA ARG A 77 -5.071 -3.875 2.244 1.00 0.39 C ATOM 1250 C ARG A 77 -3.696 -3.366 1.842 1.00 0.37 C ATOM 1251 O ARG A 77 -3.222 -2.344 2.320 1.00 0.53 O ATOM 1252 CB ARG A 77 -6.144 -2.799 2.062 1.00 0.55 C ATOM 1253 CG ARG A 77 -7.471 -3.163 2.716 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.972 -4.522 2.247 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.029 -5.047 3.109 1.00 1.24 N ATOM 1256 CZ ARG A 77 -9.889 -5.996 2.741 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.929 -6.418 1.482 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -10.735 -6.503 3.625 1.00 1.93 N ATOM 0 H ARG A 77 -5.310 -3.618 4.307 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.336 -4.710 1.595 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.784 -1.860 2.483 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -6.304 -2.631 0.997 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.353 -3.172 3.800 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -8.214 -2.400 2.483 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -8.346 -4.437 1.227 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.140 -5.226 2.224 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.114 -4.663 4.050 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -9.298 -6.015 0.789 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -10.590 -7.145 1.209 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -10.728 -6.167 4.588 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.393 -7.229 3.343 1.00 1.93 H new ATOM 1272 N VAL A 78 -3.058 -4.104 0.967 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.648 -3.917 0.687 1.00 0.38 C ATOM 1274 C VAL A 78 -1.404 -3.506 -0.759 1.00 0.38 C ATOM 1275 O VAL A 78 -2.028 -4.034 -1.676 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.915 -5.224 0.962 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.803 -5.452 2.461 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.674 -6.357 0.297 1.00 0.88 C ATOM 0 H VAL A 78 -3.497 -4.851 0.428 1.00 0.33 H new ATOM 0 HA VAL A 78 -1.279 -3.117 1.329 1.00 0.38 H new ATOM 0 HB VAL A 78 0.095 -5.181 0.554 1.00 0.43 H new ATOM 0 HG11 VAL A 78 -0.278 -6.389 2.648 1.00 0.95 H new ATOM 0 HG12 VAL A 78 -0.250 -4.629 2.914 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.801 -5.502 2.897 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -1.160 -7.299 0.486 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.684 -6.407 0.704 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.724 -6.180 -0.777 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.498 -2.569 -0.954 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.155 -2.091 -2.283 1.00 0.29 C ATOM 1290 C ILE A 79 1.370 -2.071 -2.464 1.00 0.28 C ATOM 1291 O ILE A 79 2.117 -1.680 -1.566 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.746 -0.688 -2.529 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.265 -0.718 -2.290 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.426 -0.217 -3.943 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -3.075 -1.254 -3.451 1.00 0.59 C ATOM 0 H ILE A 79 0.021 -2.118 -0.201 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.585 -2.774 -3.016 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.297 0.019 -1.831 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.469 -1.327 -1.410 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.604 0.293 -2.063 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.850 0.775 -4.101 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.655 -0.175 -4.077 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.854 -0.913 -4.664 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.134 -1.238 -3.194 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.906 -0.632 -4.330 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -2.769 -2.278 -3.666 1.00 0.59 H new ATOM 1307 N ILE A 80 1.822 -2.493 -3.631 1.00 0.31 N ATOM 1308 CA ILE A 80 3.245 -2.626 -3.889 1.00 0.32 C ATOM 1309 C ILE A 80 3.756 -1.448 -4.708 1.00 0.37 C ATOM 1310 O ILE A 80 3.253 -1.158 -5.793 1.00 0.46 O ATOM 1311 CB ILE A 80 3.579 -3.974 -4.591 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.805 -3.841 -5.501 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.384 -4.499 -5.376 1.00 0.47 C ATOM 1314 CD1 ILE A 80 5.224 -5.145 -6.145 1.00 0.45 C ATOM 0 H ILE A 80 1.224 -2.750 -4.416 1.00 0.31 H new ATOM 0 HA ILE A 80 3.755 -2.625 -2.926 1.00 0.32 H new ATOM 0 HB ILE A 80 3.816 -4.696 -3.810 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.590 -3.112 -6.282 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.639 -3.448 -4.919 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.649 -5.442 -5.855 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.545 -4.659 -4.698 1.00 0.47 H new ATOM 0 HG23 ILE A 80 2.101 -3.772 -6.137 1.00 0.47 H new ATOM 0 HD11 ILE A 80 6.097 -4.976 -6.775 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.471 -5.871 -5.370 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.406 -5.529 -6.755 1.00 0.45 H new ATOM 1326 N MET A 81 4.755 -0.764 -4.176 1.00 0.35 N ATOM 1327 CA MET A 81 5.345 0.374 -4.867 1.00 0.43 C ATOM 1328 C MET A 81 6.781 0.046 -5.225 1.00 0.45 C ATOM 1329 O MET A 81 7.597 0.922 -5.506 1.00 0.57 O ATOM 1330 CB MET A 81 5.261 1.642 -4.010 1.00 0.48 C ATOM 1331 CG MET A 81 6.001 1.551 -2.684 1.00 0.47 C ATOM 1332 SD MET A 81 5.741 3.003 -1.648 1.00 0.99 S ATOM 1333 CE MET A 81 6.390 4.295 -2.707 1.00 1.36 C ATOM 0 H MET A 81 5.175 -0.975 -3.271 1.00 0.35 H new ATOM 0 HA MET A 81 4.786 0.570 -5.782 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.663 2.479 -4.580 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.212 1.865 -3.813 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.670 0.662 -2.147 1.00 0.47 H new ATOM 0 HG3 MET A 81 7.067 1.430 -2.874 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.889 5.048 -2.098 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.104 3.865 -3.410 1.00 1.36 H new ATOM 0 HE3 MET A 81 5.572 4.758 -3.259 1.00 1.36 H new ATOM 1343 N THR A 82 7.061 -1.244 -5.222 1.00 0.39 N ATOM 1344 CA THR A 82 8.368 -1.752 -5.562 1.00 0.42 C ATOM 1345 C THR A 82 8.348 -2.382 -6.958 1.00 0.48 C ATOM 1346 O THR A 82 7.502 -2.035 -7.789 1.00 0.52 O ATOM 1347 CB THR A 82 8.847 -2.769 -4.502 1.00 0.40 C ATOM 1348 OG1 THR A 82 10.223 -3.073 -4.714 1.00 0.43 O ATOM 1349 CG2 THR A 82 8.029 -4.053 -4.516 1.00 0.44 C ATOM 0 H THR A 82 6.383 -1.968 -4.982 1.00 0.39 H new ATOM 0 HA THR A 82 9.073 -0.921 -5.574 1.00 0.42 H new ATOM 0 HB THR A 82 8.710 -2.307 -3.524 1.00 0.40 H new ATOM 0 HG1 THR A 82 10.377 -4.026 -4.546 1.00 0.43 H new ATOM 0 HG21 THR A 82 8.407 -4.733 -3.753 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.984 -3.821 -4.310 1.00 0.44 H new ATOM 0 HG23 THR A 82 8.110 -4.525 -5.495 1.00 0.44 H new ATOM 1357 N ALA A 83 9.276 -3.304 -7.200 1.00 0.54 N ATOM 1358 CA ALA A 83 9.451 -3.934 -8.499 1.00 0.64 C ATOM 1359 C ALA A 83 8.127 -4.411 -9.081 1.00 0.69 C ATOM 1360 O ALA A 83 7.568 -5.412 -8.655 1.00 0.74 O ATOM 1361 CB ALA A 83 10.430 -5.092 -8.378 1.00 0.77 C ATOM 0 H ALA A 83 9.931 -3.635 -6.492 1.00 0.54 H new ATOM 0 HA ALA A 83 9.853 -3.189 -9.185 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.559 -5.562 -9.353 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.392 -4.720 -8.024 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.042 -5.824 -7.670 1.00 0.77 H new ATOM 1367 N TYR A 84 7.610 -3.655 -10.033 1.00 0.75 N ATOM 1368 CA TYR A 84 6.381 -4.024 -10.719 1.00 0.93 C ATOM 1369 C TYR A 84 6.559 -5.308 -11.515 1.00 1.04 C ATOM 1370 O TYR A 84 5.587 -5.999 -11.799 1.00 1.38 O ATOM 1371 CB TYR A 84 5.902 -2.879 -11.623 1.00 1.14 C ATOM 1372 CG TYR A 84 6.691 -2.705 -12.912 1.00 1.02 C ATOM 1373 CD1 TYR A 84 7.948 -2.110 -12.902 1.00 1.17 C ATOM 1374 CD2 TYR A 84 6.187 -3.145 -14.132 1.00 1.23 C ATOM 1375 CE1 TYR A 84 8.676 -1.955 -14.067 1.00 1.68 C ATOM 1376 CE2 TYR A 84 6.911 -2.992 -15.303 1.00 1.55 C ATOM 1377 CZ TYR A 84 8.118 -2.376 -15.283 1.00 1.84 C ATOM 1378 OH TYR A 84 8.884 -2.250 -16.424 1.00 2.42 O ATOM 0 H TYR A 84 8.023 -2.778 -10.351 1.00 0.75 H new ATOM 0 HA TYR A 84 5.616 -4.207 -9.965 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.855 -3.049 -11.875 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.947 -1.948 -11.059 1.00 1.14 H new ATOM 0 HD1 TYR A 84 8.363 -1.763 -11.967 1.00 1.17 H new ATOM 0 HD2 TYR A 84 5.215 -3.614 -14.167 1.00 1.23 H new ATOM 0 HE1 TYR A 84 9.662 -1.515 -14.041 1.00 1.68 H new ATOM 0 HE2 TYR A 84 6.512 -3.365 -16.235 1.00 1.55 H new ATOM 0 HH TYR A 84 8.378 -2.580 -17.196 1.00 2.42 H new ATOM 1388 N GLY A 85 7.803 -5.632 -11.848 1.00 1.18 N ATOM 1389 CA GLY A 85 8.096 -6.890 -12.505 1.00 1.31 C ATOM 1390 C GLY A 85 8.006 -8.051 -11.535 1.00 1.26 C ATOM 1391 O GLY A 85 8.089 -9.215 -11.925 1.00 1.37 O ATOM 0 H GLY A 85 8.617 -5.042 -11.673 1.00 1.18 H new ATOM 0 HA2 GLY A 85 7.397 -7.045 -13.327 1.00 1.31 H new ATOM 0 HA3 GLY A 85 9.095 -6.852 -12.939 1.00 1.31 H new ATOM 1395 N GLU A 86 7.798 -7.722 -10.266 1.00 1.14 N ATOM 1396 CA GLU A 86 7.651 -8.717 -9.224 1.00 1.12 C ATOM 1397 C GLU A 86 6.205 -9.150 -9.152 1.00 1.14 C ATOM 1398 O GLU A 86 5.825 -9.968 -8.321 1.00 1.13 O ATOM 1399 CB GLU A 86 8.108 -8.165 -7.881 1.00 1.04 C ATOM 1400 CG GLU A 86 9.120 -9.053 -7.188 1.00 1.04 C ATOM 1401 CD GLU A 86 10.258 -9.435 -8.112 1.00 1.60 C ATOM 1402 OE1 GLU A 86 11.173 -8.610 -8.311 1.00 1.64 O ATOM 1403 OE2 GLU A 86 10.229 -10.558 -8.652 1.00 2.16 O ATOM 0 H GLU A 86 7.727 -6.759 -9.936 1.00 1.14 H new ATOM 0 HA GLU A 86 8.277 -9.577 -9.461 1.00 1.12 H new ATOM 0 HB2 GLU A 86 8.542 -7.176 -8.030 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.241 -8.038 -7.233 1.00 1.04 H new ATOM 0 HG2 GLU A 86 9.518 -8.537 -6.314 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.626 -9.955 -6.828 1.00 1.04 H new ATOM 1410 N LEU A 87 5.400 -8.585 -10.040 1.00 1.19 N ATOM 1411 CA LEU A 87 4.035 -9.068 -10.244 1.00 1.27 C ATOM 1412 C LEU A 87 4.094 -10.544 -10.597 1.00 1.27 C ATOM 1413 O LEU A 87 3.152 -11.301 -10.376 1.00 1.30 O ATOM 1414 CB LEU A 87 3.317 -8.286 -11.361 1.00 1.38 C ATOM 1415 CG LEU A 87 3.546 -8.770 -12.806 1.00 1.41 C ATOM 1416 CD1 LEU A 87 2.614 -8.039 -13.756 1.00 1.84 C ATOM 1417 CD2 LEU A 87 4.985 -8.563 -13.246 1.00 1.96 C ATOM 0 H LEU A 87 5.663 -7.795 -10.630 1.00 1.19 H new ATOM 0 HA LEU A 87 3.467 -8.918 -9.326 1.00 1.27 H new ATOM 0 HB2 LEU A 87 2.246 -8.312 -11.160 1.00 1.38 H new ATOM 0 HB3 LEU A 87 3.627 -7.243 -11.299 1.00 1.38 H new ATOM 0 HG LEU A 87 3.334 -9.839 -12.832 1.00 1.41 H new ATOM 0 HD11 LEU A 87 2.785 -8.389 -14.774 1.00 1.84 H new ATOM 0 HD12 LEU A 87 1.580 -8.235 -13.473 1.00 1.84 H new ATOM 0 HD13 LEU A 87 2.808 -6.968 -13.703 1.00 1.84 H new ATOM 0 HD21 LEU A 87 5.107 -8.916 -14.270 1.00 1.96 H new ATOM 0 HD22 LEU A 87 5.232 -7.502 -13.196 1.00 1.96 H new ATOM 0 HD23 LEU A 87 5.651 -9.121 -12.588 1.00 1.96 H new ATOM 1429 N ASP A 88 5.240 -10.924 -11.141 1.00 1.29 N ATOM 1430 CA ASP A 88 5.531 -12.298 -11.500 1.00 1.35 C ATOM 1431 C ASP A 88 5.756 -13.151 -10.256 1.00 1.29 C ATOM 1432 O ASP A 88 5.029 -14.108 -10.009 1.00 1.39 O ATOM 1433 CB ASP A 88 6.775 -12.336 -12.386 1.00 1.38 C ATOM 1434 CG ASP A 88 7.156 -13.739 -12.814 1.00 1.49 C ATOM 1435 OD1 ASP A 88 6.416 -14.340 -13.623 1.00 1.59 O ATOM 1436 OD2 ASP A 88 8.178 -14.259 -12.324 1.00 1.54 O ATOM 0 H ASP A 88 6.001 -10.277 -11.347 1.00 1.29 H new ATOM 0 HA ASP A 88 4.678 -12.706 -12.042 1.00 1.35 H new ATOM 0 HB2 ASP A 88 6.601 -11.726 -13.273 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.610 -11.887 -11.849 1.00 1.38 H new ATOM 1441 N MET A 89 6.755 -12.793 -9.460 1.00 1.17 N ATOM 1442 CA MET A 89 7.124 -13.602 -8.303 1.00 1.16 C ATOM 1443 C MET A 89 6.273 -13.276 -7.081 1.00 1.14 C ATOM 1444 O MET A 89 5.553 -14.131 -6.571 1.00 1.25 O ATOM 1445 CB MET A 89 8.601 -13.371 -7.967 1.00 1.11 C ATOM 1446 CG MET A 89 9.044 -14.015 -6.658 1.00 1.13 C ATOM 1447 SD MET A 89 10.789 -13.732 -6.286 1.00 1.46 S ATOM 1448 CE MET A 89 10.754 -12.014 -5.778 1.00 2.17 C ATOM 0 H MET A 89 7.321 -11.955 -9.591 1.00 1.17 H new ATOM 0 HA MET A 89 6.950 -14.646 -8.562 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.214 -13.762 -8.779 1.00 1.11 H new ATOM 0 HB3 MET A 89 8.788 -12.298 -7.915 1.00 1.11 H new ATOM 0 HG2 MET A 89 8.436 -13.623 -5.843 1.00 1.13 H new ATOM 0 HG3 MET A 89 8.858 -15.088 -6.706 1.00 1.13 H new ATOM 0 HE1 MET A 89 11.365 -11.421 -6.459 1.00 2.17 H new ATOM 0 HE2 MET A 89 9.727 -11.649 -5.800 1.00 2.17 H new ATOM 0 HE3 MET A 89 11.149 -11.926 -4.766 1.00 2.17 H new ATOM 1458 N ALA A 90 6.300 -12.019 -6.671 1.00 1.06 N ATOM 1459 CA ALA A 90 5.737 -11.615 -5.391 1.00 1.05 C ATOM 1460 C ALA A 90 4.234 -11.853 -5.335 1.00 1.12 C ATOM 1461 O ALA A 90 3.722 -12.449 -4.388 1.00 1.17 O ATOM 1462 CB ALA A 90 6.048 -10.146 -5.134 1.00 0.99 C ATOM 0 H ALA A 90 6.709 -11.255 -7.209 1.00 1.06 H new ATOM 0 HA ALA A 90 6.194 -12.227 -4.613 1.00 1.05 H new ATOM 0 HB1 ALA A 90 5.625 -9.847 -4.175 1.00 0.99 H new ATOM 0 HB2 ALA A 90 7.128 -10.001 -5.115 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.614 -9.538 -5.928 1.00 0.99 H new ATOM 1468 N GLN A 91 3.539 -11.421 -6.369 1.00 1.19 N ATOM 1469 CA GLN A 91 2.092 -11.499 -6.401 1.00 1.31 C ATOM 1470 C GLN A 91 1.612 -12.932 -6.633 1.00 1.46 C ATOM 1471 O GLN A 91 0.898 -13.499 -5.804 1.00 1.51 O ATOM 1472 CB GLN A 91 1.581 -10.549 -7.492 1.00 1.40 C ATOM 1473 CG GLN A 91 0.345 -11.030 -8.228 1.00 1.68 C ATOM 1474 CD GLN A 91 -0.912 -11.043 -7.371 1.00 1.84 C ATOM 1475 OE1 GLN A 91 -1.810 -11.854 -7.592 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -0.998 -10.138 -6.409 1.00 2.42 N ATOM 0 H GLN A 91 3.957 -11.010 -7.204 1.00 1.19 H new ATOM 0 HA GLN A 91 1.688 -11.195 -5.435 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.363 -9.582 -7.039 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.379 -10.389 -8.217 1.00 1.40 H new ATOM 0 HG2 GLN A 91 0.177 -10.390 -9.094 1.00 1.68 H new ATOM 0 HG3 GLN A 91 0.527 -12.036 -8.606 1.00 1.68 H new ATOM 0 HE21 GLN A 91 -0.232 -9.482 -6.256 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -1.830 -10.097 -5.821 1.00 2.42 H new ATOM 1485 N GLU A 92 2.046 -13.520 -7.738 1.00 1.57 N ATOM 1486 CA GLU A 92 1.550 -14.822 -8.166 1.00 1.80 C ATOM 1487 C GLU A 92 1.949 -15.952 -7.217 1.00 1.83 C ATOM 1488 O GLU A 92 1.326 -17.016 -7.236 1.00 2.04 O ATOM 1489 CB GLU A 92 2.015 -15.119 -9.589 1.00 1.91 C ATOM 1490 CG GLU A 92 1.688 -13.995 -10.556 1.00 1.96 C ATOM 1491 CD GLU A 92 1.771 -14.411 -12.008 1.00 2.13 C ATOM 1492 OE1 GLU A 92 0.797 -14.990 -12.524 1.00 2.44 O ATOM 1493 OE2 GLU A 92 2.829 -14.178 -12.632 1.00 2.12 O ATOM 0 H GLU A 92 2.746 -13.114 -8.359 1.00 1.57 H new ATOM 0 HA GLU A 92 0.461 -14.773 -8.144 1.00 1.80 H new ATOM 0 HB2 GLU A 92 3.091 -15.290 -9.587 1.00 1.91 H new ATOM 0 HB3 GLU A 92 1.546 -16.040 -9.936 1.00 1.91 H new ATOM 0 HG2 GLU A 92 0.683 -13.627 -10.348 1.00 1.96 H new ATOM 0 HG3 GLU A 92 2.374 -13.166 -10.383 1.00 1.96 H new ATOM 1500 N SER A 93 2.978 -15.742 -6.393 1.00 1.66 N ATOM 1501 CA SER A 93 3.339 -16.742 -5.391 1.00 1.77 C ATOM 1502 C SER A 93 2.174 -17.030 -4.444 1.00 1.87 C ATOM 1503 O SER A 93 2.034 -18.157 -3.963 1.00 2.13 O ATOM 1504 CB SER A 93 4.570 -16.313 -4.589 1.00 1.65 C ATOM 1505 OG SER A 93 5.740 -16.379 -5.385 1.00 1.98 O ATOM 0 H SER A 93 3.564 -14.907 -6.399 1.00 1.66 H new ATOM 0 HA SER A 93 3.581 -17.658 -5.931 1.00 1.77 H new ATOM 0 HB2 SER A 93 4.433 -15.296 -4.221 1.00 1.65 H new ATOM 0 HB3 SER A 93 4.682 -16.956 -3.716 1.00 1.65 H new ATOM 0 HG SER A 93 5.728 -15.654 -6.044 1.00 1.98 H new ATOM 1511 N LYS A 94 1.328 -16.024 -4.190 1.00 1.73 N ATOM 1512 CA LYS A 94 0.171 -16.212 -3.320 1.00 1.84 C ATOM 1513 C LYS A 94 -0.714 -14.971 -3.261 1.00 1.75 C ATOM 1514 O LYS A 94 -1.823 -14.950 -3.788 1.00 2.05 O ATOM 1515 CB LYS A 94 0.612 -16.557 -1.893 1.00 1.74 C ATOM 1516 CG LYS A 94 -0.512 -17.121 -1.040 1.00 2.03 C ATOM 1517 CD LYS A 94 -0.173 -17.117 0.440 1.00 2.19 C ATOM 1518 CE LYS A 94 1.111 -17.874 0.731 1.00 2.42 C ATOM 1519 NZ LYS A 94 1.217 -18.243 2.169 1.00 2.66 N ATOM 0 H LYS A 94 1.425 -15.083 -4.572 1.00 1.73 H new ATOM 0 HA LYS A 94 -0.402 -17.034 -3.748 1.00 1.84 H new ATOM 0 HB2 LYS A 94 1.426 -17.281 -1.936 1.00 1.74 H new ATOM 0 HB3 LYS A 94 1.008 -15.661 -1.415 1.00 1.74 H new ATOM 0 HG2 LYS A 94 -1.417 -16.537 -1.204 1.00 2.03 H new ATOM 0 HG3 LYS A 94 -0.729 -18.141 -1.358 1.00 2.03 H new ATOM 0 HD2 LYS A 94 -0.074 -16.088 0.787 1.00 2.19 H new ATOM 0 HD3 LYS A 94 -0.993 -17.565 1.001 1.00 2.19 H new ATOM 0 HE2 LYS A 94 1.149 -18.776 0.120 1.00 2.42 H new ATOM 0 HE3 LYS A 94 1.967 -17.261 0.448 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 2.106 -18.758 2.331 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 1.206 -17.381 2.750 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 0.413 -18.848 2.432 1.00 2.66 H new ATOM 1533 N GLU A 95 -0.186 -13.940 -2.624 1.00 1.51 N ATOM 1534 CA GLU A 95 -0.978 -12.792 -2.182 1.00 1.57 C ATOM 1535 C GLU A 95 -0.062 -11.747 -1.589 1.00 1.40 C ATOM 1536 O GLU A 95 -0.162 -10.560 -1.866 1.00 1.80 O ATOM 1537 CB GLU A 95 -1.949 -13.268 -1.101 1.00 1.57 C ATOM 1538 CG GLU A 95 -2.529 -12.174 -0.201 1.00 1.70 C ATOM 1539 CD GLU A 95 -3.094 -10.990 -0.957 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -4.031 -11.195 -1.761 1.00 2.68 O ATOM 1541 OE2 GLU A 95 -2.599 -9.864 -0.765 1.00 3.16 O ATOM 0 H GLU A 95 0.806 -13.870 -2.396 1.00 1.51 H new ATOM 0 HA GLU A 95 -1.520 -12.364 -3.025 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -2.774 -13.790 -1.585 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -1.436 -13.996 -0.472 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -3.316 -12.606 0.418 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -1.749 -11.822 0.474 1.00 1.70 H new ATOM 1548 N LEU A 96 0.866 -12.248 -0.800 1.00 1.13 N ATOM 1549 CA LEU A 96 1.757 -11.476 0.033 1.00 1.44 C ATOM 1550 C LEU A 96 2.559 -10.483 -0.779 1.00 1.40 C ATOM 1551 O LEU A 96 3.060 -9.495 -0.250 1.00 1.87 O ATOM 1552 CB LEU A 96 2.707 -12.445 0.692 1.00 1.74 C ATOM 1553 CG LEU A 96 2.144 -13.349 1.820 1.00 2.31 C ATOM 1554 CD1 LEU A 96 0.846 -14.035 1.426 1.00 2.48 C ATOM 1555 CD2 LEU A 96 3.159 -14.408 2.211 1.00 3.10 C ATOM 0 H LEU A 96 1.025 -13.252 -0.720 1.00 1.13 H new ATOM 0 HA LEU A 96 1.172 -10.915 0.762 1.00 1.44 H new ATOM 0 HB2 LEU A 96 3.118 -13.092 -0.083 1.00 1.74 H new ATOM 0 HB3 LEU A 96 3.538 -11.873 1.104 1.00 1.74 H new ATOM 0 HG LEU A 96 1.938 -12.692 2.665 1.00 2.31 H new ATOM 0 HD11 LEU A 96 0.497 -14.655 2.252 1.00 2.48 H new ATOM 0 HD12 LEU A 96 0.093 -13.282 1.193 1.00 2.48 H new ATOM 0 HD13 LEU A 96 1.016 -14.661 0.550 1.00 2.48 H new ATOM 0 HD21 LEU A 96 2.746 -15.032 3.003 1.00 3.10 H new ATOM 0 HD22 LEU A 96 3.391 -15.027 1.345 1.00 3.10 H new ATOM 0 HD23 LEU A 96 4.070 -13.926 2.566 1.00 3.10 H new ATOM 1567 N GLY A 97 2.633 -10.748 -2.065 1.00 1.08 N ATOM 1568 CA GLY A 97 3.283 -9.825 -2.988 1.00 1.10 C ATOM 1569 C GLY A 97 2.457 -8.572 -3.232 1.00 1.06 C ATOM 1570 O GLY A 97 2.714 -7.819 -4.169 1.00 1.72 O ATOM 0 H GLY A 97 2.255 -11.589 -2.500 1.00 1.08 H new ATOM 0 HA2 GLY A 97 4.257 -9.543 -2.589 1.00 1.10 H new ATOM 0 HA3 GLY A 97 3.461 -10.330 -3.937 1.00 1.10 H new ATOM 1574 N ALA A 98 1.452 -8.387 -2.381 1.00 0.73 N ATOM 1575 CA ALA A 98 0.588 -7.190 -2.384 1.00 0.65 C ATOM 1576 C ALA A 98 -0.358 -7.135 -3.590 1.00 0.67 C ATOM 1577 O ALA A 98 -0.396 -8.060 -4.401 1.00 0.82 O ATOM 1578 CB ALA A 98 1.418 -5.914 -2.294 1.00 0.85 C ATOM 0 H ALA A 98 1.205 -9.065 -1.660 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.040 -7.266 -1.496 1.00 0.65 H new ATOM 0 HB1 ALA A 98 0.756 -5.048 -2.298 1.00 0.85 H new ATOM 0 HB2 ALA A 98 1.999 -5.922 -1.372 1.00 0.85 H new ATOM 0 HB3 ALA A 98 2.093 -5.858 -3.148 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.151 -6.056 -3.674 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.152 -5.902 -4.729 1.00 0.66 C ATOM 1586 C LEU A 99 -1.584 -5.277 -6.005 1.00 0.69 C ATOM 1587 O LEU A 99 -0.977 -5.965 -6.828 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.333 -5.075 -4.222 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.436 -5.861 -3.506 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.202 -6.730 -4.491 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -3.876 -6.724 -2.384 1.00 1.05 C ATOM 0 H LEU A 99 -1.114 -5.276 -3.018 1.00 0.60 H new ATOM 0 HA LEU A 99 -2.488 -6.906 -4.990 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -2.954 -4.314 -3.540 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -3.777 -4.552 -5.069 1.00 0.68 H new ATOM 0 HG LEU A 99 -5.117 -5.132 -3.065 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -5.981 -7.280 -3.962 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -5.658 -6.100 -5.254 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -4.517 -7.435 -4.963 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -4.689 -7.265 -1.901 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -3.160 -7.436 -2.795 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -3.377 -6.090 -1.651 1.00 1.05 H new ATOM 1603 N THR A 100 -1.790 -3.973 -6.171 1.00 0.95 N ATOM 1604 CA THR A 100 -1.368 -3.282 -7.380 1.00 1.06 C ATOM 1605 C THR A 100 0.039 -2.726 -7.223 1.00 0.67 C ATOM 1606 O THR A 100 0.435 -2.331 -6.128 1.00 0.60 O ATOM 1607 CB THR A 100 -2.346 -2.145 -7.738 1.00 1.56 C ATOM 1608 OG1 THR A 100 -2.657 -1.380 -6.568 1.00 2.07 O ATOM 1609 CG2 THR A 100 -3.629 -2.702 -8.340 1.00 2.16 C ATOM 0 H THR A 100 -2.247 -3.376 -5.482 1.00 0.95 H new ATOM 0 HA THR A 100 -1.369 -4.009 -8.192 1.00 1.06 H new ATOM 0 HB THR A 100 -1.866 -1.503 -8.476 1.00 1.56 H new ATOM 0 HG1 THR A 100 -3.277 -0.659 -6.804 1.00 2.07 H new ATOM 0 HG21 THR A 100 -4.303 -1.881 -8.584 1.00 2.16 H new ATOM 0 HG22 THR A 100 -3.393 -3.260 -9.246 1.00 2.16 H new ATOM 0 HG23 THR A 100 -4.110 -3.365 -7.621 1.00 2.16 H new ATOM 1617 N HIS A 101 0.785 -2.693 -8.321 1.00 0.68 N ATOM 1618 CA HIS A 101 2.201 -2.336 -8.274 1.00 0.87 C ATOM 1619 C HIS A 101 2.525 -1.102 -9.107 1.00 0.71 C ATOM 1620 O HIS A 101 1.731 -0.679 -9.948 1.00 1.08 O ATOM 1621 CB HIS A 101 3.065 -3.503 -8.760 1.00 1.65 C ATOM 1622 CG HIS A 101 2.606 -4.101 -10.060 1.00 2.50 C ATOM 1623 ND1 HIS A 101 2.730 -3.463 -11.276 1.00 3.21 N ATOM 1624 CD2 HIS A 101 2.003 -5.283 -10.324 1.00 3.16 C ATOM 1625 CE1 HIS A 101 2.224 -4.224 -12.224 1.00 3.89 C ATOM 1626 NE2 HIS A 101 1.776 -5.335 -11.678 1.00 3.83 N ATOM 0 H HIS A 101 0.435 -2.909 -9.255 1.00 0.68 H new ATOM 0 HA HIS A 101 2.425 -2.107 -7.232 1.00 0.87 H new ATOM 0 HB2 HIS A 101 4.093 -3.159 -8.873 1.00 1.65 H new ATOM 0 HB3 HIS A 101 3.071 -4.280 -7.996 1.00 1.65 H new ATOM 0 HD2 HIS A 101 1.747 -6.045 -9.603 1.00 3.16 H new ATOM 0 HE1 HIS A 101 2.183 -3.978 -13.275 1.00 3.89 H new ATOM 0 HE2 HIS A 101 1.334 -6.107 -12.177 1.00 3.83 H new ATOM 1635 N PHE A 102 3.723 -0.564 -8.876 1.00 0.78 N ATOM 1636 CA PHE A 102 4.244 0.576 -9.629 1.00 0.90 C ATOM 1637 C PHE A 102 5.665 0.894 -9.156 1.00 0.85 C ATOM 1638 O PHE A 102 5.859 1.377 -8.045 1.00 0.97 O ATOM 1639 CB PHE A 102 3.342 1.803 -9.451 1.00 1.33 C ATOM 1640 CG PHE A 102 3.511 2.835 -10.529 1.00 1.91 C ATOM 1641 CD1 PHE A 102 2.861 2.706 -11.744 1.00 2.47 C ATOM 1642 CD2 PHE A 102 4.320 3.940 -10.320 1.00 2.71 C ATOM 1643 CE1 PHE A 102 3.018 3.658 -12.732 1.00 3.31 C ATOM 1644 CE2 PHE A 102 4.482 4.893 -11.305 1.00 3.59 C ATOM 1645 CZ PHE A 102 3.817 4.735 -12.532 1.00 3.75 C ATOM 0 H PHE A 102 4.361 -0.908 -8.159 1.00 0.78 H new ATOM 0 HA PHE A 102 4.263 0.319 -10.688 1.00 0.90 H new ATOM 0 HB2 PHE A 102 2.302 1.479 -9.430 1.00 1.33 H new ATOM 0 HB3 PHE A 102 3.553 2.261 -8.485 1.00 1.33 H new ATOM 0 HD1 PHE A 102 2.224 1.852 -11.921 1.00 2.47 H new ATOM 0 HD2 PHE A 102 4.830 4.057 -9.375 1.00 2.71 H new ATOM 0 HE1 PHE A 102 2.500 3.544 -13.673 1.00 3.31 H new ATOM 0 HE2 PHE A 102 5.114 5.752 -11.134 1.00 3.59 H new ATOM 0 HZ PHE A 102 3.942 5.469 -13.314 1.00 3.75 H new ATOM 1655 N ALA A 103 6.651 0.609 -10.000 1.00 0.85 N ATOM 1656 CA ALA A 103 8.058 0.768 -9.628 1.00 0.92 C ATOM 1657 C ALA A 103 8.672 2.018 -10.246 1.00 1.01 C ATOM 1658 O ALA A 103 9.786 1.979 -10.766 1.00 1.27 O ATOM 1659 CB ALA A 103 8.839 -0.457 -10.066 1.00 1.00 C ATOM 0 H ALA A 103 6.504 0.266 -10.949 1.00 0.85 H new ATOM 0 HA ALA A 103 8.108 0.877 -8.545 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.887 -0.339 -9.789 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.432 -1.342 -9.577 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.760 -0.571 -11.147 1.00 1.00 H new ATOM 1665 N LYS A 104 7.953 3.125 -10.189 1.00 1.13 N ATOM 1666 CA LYS A 104 8.457 4.382 -10.722 1.00 1.45 C ATOM 1667 C LYS A 104 8.180 5.521 -9.756 1.00 1.54 C ATOM 1668 O LYS A 104 7.222 5.460 -8.985 1.00 1.48 O ATOM 1669 CB LYS A 104 7.801 4.709 -12.066 1.00 1.74 C ATOM 1670 CG LYS A 104 8.156 3.765 -13.200 1.00 1.85 C ATOM 1671 CD LYS A 104 7.497 4.221 -14.490 1.00 2.35 C ATOM 1672 CE LYS A 104 7.862 3.335 -15.665 1.00 2.97 C ATOM 1673 NZ LYS A 104 7.252 3.828 -16.925 1.00 3.84 N ATOM 0 H LYS A 104 7.020 3.181 -9.780 1.00 1.13 H new ATOM 0 HA LYS A 104 9.532 4.270 -10.862 1.00 1.45 H new ATOM 0 HB2 LYS A 104 6.719 4.705 -11.935 1.00 1.74 H new ATOM 0 HB3 LYS A 104 8.084 5.721 -12.354 1.00 1.74 H new ATOM 0 HG2 LYS A 104 9.238 3.730 -13.329 1.00 1.85 H new ATOM 0 HG3 LYS A 104 7.832 2.754 -12.956 1.00 1.85 H new ATOM 0 HD2 LYS A 104 6.415 4.223 -14.362 1.00 2.35 H new ATOM 0 HD3 LYS A 104 7.795 5.247 -14.705 1.00 2.35 H new ATOM 0 HE2 LYS A 104 8.946 3.300 -15.773 1.00 2.97 H new ATOM 0 HE3 LYS A 104 7.528 2.316 -15.472 1.00 2.97 H new ATOM 0 HZ1 LYS A 104 7.521 3.200 -17.710 1.00 3.84 H new ATOM 0 HZ2 LYS A 104 6.217 3.838 -16.829 1.00 3.84 H new ATOM 0 HZ3 LYS A 104 7.591 4.792 -17.121 1.00 3.84 H new ATOM 1687 N PRO A 105 9.018 6.573 -9.771 1.00 2.04 N ATOM 1688 CA PRO A 105 8.704 7.820 -9.080 1.00 2.24 C ATOM 1689 C PRO A 105 7.468 8.450 -9.704 1.00 2.07 C ATOM 1690 O PRO A 105 7.547 9.108 -10.745 1.00 2.65 O ATOM 1691 CB PRO A 105 9.943 8.700 -9.303 1.00 3.14 C ATOM 1692 CG PRO A 105 11.019 7.763 -9.741 1.00 3.33 C ATOM 1693 CD PRO A 105 10.325 6.629 -10.444 1.00 2.66 C ATOM 0 HA PRO A 105 8.488 7.683 -8.020 1.00 2.24 H new ATOM 0 HB2 PRO A 105 9.753 9.462 -10.059 1.00 3.14 H new ATOM 0 HB3 PRO A 105 10.224 9.222 -8.388 1.00 3.14 H new ATOM 0 HG2 PRO A 105 11.723 8.262 -10.407 1.00 3.33 H new ATOM 0 HG3 PRO A 105 11.591 7.400 -8.887 1.00 3.33 H new ATOM 0 HD2 PRO A 105 10.221 6.820 -11.512 1.00 2.66 H new ATOM 0 HD3 PRO A 105 10.873 5.693 -10.339 1.00 2.66 H new ATOM 1701 N PHE A 106 6.330 8.216 -9.080 1.00 1.61 N ATOM 1702 CA PHE A 106 5.047 8.547 -9.675 1.00 1.78 C ATOM 1703 C PHE A 106 4.567 9.937 -9.294 1.00 1.59 C ATOM 1704 O PHE A 106 5.057 10.550 -8.340 1.00 2.24 O ATOM 1705 CB PHE A 106 3.998 7.511 -9.257 1.00 2.13 C ATOM 1706 CG PHE A 106 3.874 7.330 -7.766 1.00 2.84 C ATOM 1707 CD1 PHE A 106 3.023 8.136 -7.025 1.00 2.94 C ATOM 1708 CD2 PHE A 106 4.608 6.355 -7.105 1.00 3.75 C ATOM 1709 CE1 PHE A 106 2.904 7.976 -5.658 1.00 4.02 C ATOM 1710 CE2 PHE A 106 4.492 6.189 -5.739 1.00 4.83 C ATOM 1711 CZ PHE A 106 3.650 6.990 -5.014 1.00 5.00 C ATOM 0 H PHE A 106 6.267 7.794 -8.153 1.00 1.61 H new ATOM 0 HA PHE A 106 5.183 8.534 -10.756 1.00 1.78 H new ATOM 0 HB2 PHE A 106 3.029 7.808 -9.658 1.00 2.13 H new ATOM 0 HB3 PHE A 106 4.250 6.552 -9.709 1.00 2.13 H new ATOM 0 HD1 PHE A 106 2.445 8.900 -7.524 1.00 2.94 H new ATOM 0 HD2 PHE A 106 5.277 5.719 -7.665 1.00 3.75 H new ATOM 0 HE1 PHE A 106 2.238 8.610 -5.092 1.00 4.02 H new ATOM 0 HE2 PHE A 106 5.068 5.424 -5.240 1.00 4.83 H new ATOM 0 HZ PHE A 106 3.564 6.858 -3.946 1.00 5.00 H new ATOM 1721 N ASP A 107 3.603 10.419 -10.060 1.00 1.39 N ATOM 1722 CA ASP A 107 2.877 11.631 -9.729 1.00 1.24 C ATOM 1723 C ASP A 107 1.774 11.272 -8.748 1.00 1.07 C ATOM 1724 O ASP A 107 1.137 10.229 -8.894 1.00 1.07 O ATOM 1725 CB ASP A 107 2.276 12.255 -10.992 1.00 1.39 C ATOM 1726 CG ASP A 107 1.719 13.643 -10.749 1.00 1.56 C ATOM 1727 OD1 ASP A 107 0.692 13.767 -10.057 1.00 1.95 O ATOM 1728 OD2 ASP A 107 2.309 14.620 -11.260 1.00 1.73 O ATOM 0 H ASP A 107 3.302 9.980 -10.930 1.00 1.39 H new ATOM 0 HA ASP A 107 3.555 12.359 -9.283 1.00 1.24 H new ATOM 0 HB2 ASP A 107 3.041 12.305 -11.767 1.00 1.39 H new ATOM 0 HB3 ASP A 107 1.482 11.610 -11.369 1.00 1.39 H new ATOM 1733 N ILE A 108 1.570 12.103 -7.735 1.00 1.00 N ATOM 1734 CA ILE A 108 0.570 11.815 -6.707 1.00 0.93 C ATOM 1735 C ILE A 108 -0.810 11.581 -7.328 1.00 0.89 C ATOM 1736 O ILE A 108 -1.593 10.774 -6.821 1.00 0.79 O ATOM 1737 CB ILE A 108 0.476 12.915 -5.615 1.00 1.00 C ATOM 1738 CG1 ILE A 108 -0.079 14.241 -6.165 1.00 0.97 C ATOM 1739 CG2 ILE A 108 1.838 13.129 -4.970 1.00 1.25 C ATOM 1740 CD1 ILE A 108 0.867 14.995 -7.072 1.00 1.29 C ATOM 0 H ILE A 108 2.078 12.977 -7.600 1.00 1.00 H new ATOM 0 HA ILE A 108 0.907 10.902 -6.216 1.00 0.93 H new ATOM 0 HB ILE A 108 -0.229 12.567 -4.860 1.00 1.00 H new ATOM 0 HG12 ILE A 108 -0.999 14.035 -6.713 1.00 0.97 H new ATOM 0 HG13 ILE A 108 -0.345 14.884 -5.326 1.00 0.97 H new ATOM 0 HG21 ILE A 108 1.761 13.902 -4.206 1.00 1.25 H new ATOM 0 HG22 ILE A 108 2.174 12.199 -4.512 1.00 1.25 H new ATOM 0 HG23 ILE A 108 2.555 13.440 -5.730 1.00 1.25 H new ATOM 0 HD11 ILE A 108 0.391 15.915 -7.411 1.00 1.29 H new ATOM 0 HD12 ILE A 108 1.778 15.238 -6.526 1.00 1.29 H new ATOM 0 HD13 ILE A 108 1.115 14.376 -7.934 1.00 1.29 H new ATOM 1752 N ASP A 109 -1.080 12.248 -8.451 1.00 1.01 N ATOM 1753 CA ASP A 109 -2.332 12.076 -9.172 1.00 1.07 C ATOM 1754 C ASP A 109 -2.579 10.614 -9.505 1.00 1.02 C ATOM 1755 O ASP A 109 -3.688 10.107 -9.339 1.00 1.00 O ATOM 1756 CB ASP A 109 -2.287 12.879 -10.457 1.00 1.27 C ATOM 1757 CG ASP A 109 -3.576 12.779 -11.255 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -4.645 13.126 -10.704 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -3.525 12.346 -12.427 1.00 1.92 O ATOM 0 H ASP A 109 -0.440 12.916 -8.880 1.00 1.01 H new ATOM 0 HA ASP A 109 -3.144 12.426 -8.535 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -2.091 13.925 -10.221 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -1.456 12.530 -11.070 1.00 1.27 H new ATOM 1764 N GLU A 110 -1.529 9.944 -9.951 1.00 1.04 N ATOM 1765 CA GLU A 110 -1.607 8.535 -10.287 1.00 1.04 C ATOM 1766 C GLU A 110 -2.033 7.715 -9.069 1.00 0.93 C ATOM 1767 O GLU A 110 -2.848 6.799 -9.178 1.00 0.95 O ATOM 1768 CB GLU A 110 -0.248 8.047 -10.796 1.00 1.14 C ATOM 1769 CG GLU A 110 -0.280 6.654 -11.401 1.00 1.12 C ATOM 1770 CD GLU A 110 -1.079 6.601 -12.685 1.00 1.57 C ATOM 1771 OE1 GLU A 110 -2.307 6.406 -12.623 1.00 2.07 O ATOM 1772 OE2 GLU A 110 -0.479 6.768 -13.768 1.00 2.06 O ATOM 0 H GLU A 110 -0.607 10.358 -10.089 1.00 1.04 H new ATOM 0 HA GLU A 110 -2.353 8.404 -11.071 1.00 1.04 H new ATOM 0 HB2 GLU A 110 0.122 8.749 -11.544 1.00 1.14 H new ATOM 0 HB3 GLU A 110 0.463 8.057 -9.970 1.00 1.14 H new ATOM 0 HG2 GLU A 110 0.740 6.322 -11.597 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -0.709 5.958 -10.680 1.00 1.12 H new ATOM 1779 N ILE A 111 -1.517 8.075 -7.897 1.00 0.83 N ATOM 1780 CA ILE A 111 -1.737 7.273 -6.708 1.00 0.75 C ATOM 1781 C ILE A 111 -3.088 7.587 -6.069 1.00 0.70 C ATOM 1782 O ILE A 111 -3.750 6.694 -5.546 1.00 0.71 O ATOM 1783 CB ILE A 111 -0.582 7.443 -5.695 1.00 0.76 C ATOM 1784 CG1 ILE A 111 -0.277 6.094 -5.050 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -0.898 8.486 -4.629 1.00 0.75 C ATOM 1786 CD1 ILE A 111 0.361 5.100 -5.997 1.00 1.61 C ATOM 0 H ILE A 111 -0.949 8.910 -7.750 1.00 0.83 H new ATOM 0 HA ILE A 111 -1.754 6.227 -7.014 1.00 0.75 H new ATOM 0 HB ILE A 111 0.293 7.802 -6.236 1.00 0.76 H new ATOM 0 HG12 ILE A 111 0.386 6.249 -4.199 1.00 1.24 H new ATOM 0 HG13 ILE A 111 -1.202 5.670 -4.660 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.057 8.569 -3.941 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -1.075 9.451 -5.105 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.789 8.185 -4.078 1.00 0.75 H new ATOM 0 HD11 ILE A 111 0.549 4.165 -5.470 1.00 1.61 H new ATOM 0 HD12 ILE A 111 -0.310 4.915 -6.836 1.00 1.61 H new ATOM 0 HD13 ILE A 111 1.303 5.504 -6.368 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.513 8.847 -6.140 1.00 0.72 N ATOM 1799 CA ARG A 112 -4.805 9.234 -5.586 1.00 0.75 C ATOM 1800 C ARG A 112 -5.927 8.626 -6.418 1.00 0.81 C ATOM 1801 O ARG A 112 -6.932 8.157 -5.882 1.00 0.85 O ATOM 1802 CB ARG A 112 -4.944 10.765 -5.504 1.00 0.85 C ATOM 1803 CG ARG A 112 -4.767 11.482 -6.825 1.00 1.09 C ATOM 1804 CD ARG A 112 -5.024 12.967 -6.675 1.00 1.50 C ATOM 1805 NE ARG A 112 -4.997 13.655 -7.965 1.00 1.51 N ATOM 1806 CZ ARG A 112 -5.073 14.978 -8.121 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -5.165 15.783 -7.070 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -5.047 15.490 -9.343 1.00 2.25 N ATOM 0 H ARG A 112 -2.988 9.608 -6.571 1.00 0.72 H new ATOM 0 HA ARG A 112 -4.874 8.849 -4.568 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -5.928 11.007 -5.102 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -4.208 11.147 -4.796 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -3.756 11.320 -7.198 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -5.450 11.064 -7.564 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -5.993 13.122 -6.200 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -4.273 13.401 -6.015 1.00 1.50 H new ATOM 0 HE ARG A 112 -4.914 13.083 -8.805 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -5.178 15.392 -6.128 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -5.222 16.792 -7.204 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -4.970 14.874 -10.152 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -5.104 16.500 -9.474 1.00 2.25 H new ATOM 1822 N ASP A 113 -5.729 8.601 -7.731 1.00 0.86 N ATOM 1823 CA ASP A 113 -6.685 7.983 -8.634 1.00 0.94 C ATOM 1824 C ASP A 113 -6.700 6.473 -8.431 1.00 0.93 C ATOM 1825 O ASP A 113 -7.759 5.857 -8.381 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.340 8.321 -10.086 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.236 7.606 -11.081 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -8.382 8.057 -11.281 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -6.803 6.582 -11.662 1.00 1.23 O ATOM 0 H ASP A 113 -4.913 9.003 -8.192 1.00 0.86 H new ATOM 0 HA ASP A 113 -7.678 8.375 -8.413 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.425 9.397 -10.235 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.301 8.053 -10.280 1.00 1.05 H new ATOM 1834 N ALA A 114 -5.515 5.887 -8.285 1.00 0.92 N ATOM 1835 CA ALA A 114 -5.387 4.443 -8.119 1.00 0.95 C ATOM 1836 C ALA A 114 -5.996 3.947 -6.809 1.00 0.91 C ATOM 1837 O ALA A 114 -6.615 2.889 -6.785 1.00 0.95 O ATOM 1838 CB ALA A 114 -3.929 4.027 -8.217 1.00 1.03 C ATOM 0 H ALA A 114 -4.628 6.391 -8.278 1.00 0.92 H new ATOM 0 HA ALA A 114 -5.950 3.977 -8.928 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -3.849 2.947 -8.091 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -3.535 4.309 -9.194 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -3.355 4.526 -7.437 1.00 1.03 H new ATOM 1844 N VAL A 115 -5.826 4.691 -5.720 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.409 4.283 -4.446 1.00 1.01 C ATOM 1846 C VAL A 115 -7.914 4.522 -4.454 1.00 1.06 C ATOM 1847 O VAL A 115 -8.670 3.779 -3.840 1.00 1.17 O ATOM 1848 CB VAL A 115 -5.768 4.994 -3.228 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.293 4.642 -3.119 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -5.956 6.502 -3.299 1.00 1.13 C ATOM 0 H VAL A 115 -5.299 5.564 -5.692 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.202 3.218 -4.337 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.278 4.640 -2.332 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -3.860 5.151 -2.258 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.184 3.564 -2.996 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -3.776 4.958 -4.025 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.494 6.968 -2.429 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -5.489 6.885 -4.206 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.021 6.736 -3.313 1.00 1.13 H new ATOM 1860 N LYS A 116 -8.341 5.555 -5.173 1.00 1.06 N ATOM 1861 CA LYS A 116 -9.760 5.838 -5.353 1.00 1.22 C ATOM 1862 C LYS A 116 -10.389 4.793 -6.278 1.00 1.24 C ATOM 1863 O LYS A 116 -11.592 4.531 -6.223 1.00 1.48 O ATOM 1864 CB LYS A 116 -9.914 7.247 -5.931 1.00 1.30 C ATOM 1865 CG LYS A 116 -11.345 7.715 -6.112 1.00 2.03 C ATOM 1866 CD LYS A 116 -11.370 9.150 -6.604 1.00 2.39 C ATOM 1867 CE LYS A 116 -12.783 9.667 -6.791 1.00 3.01 C ATOM 1868 NZ LYS A 116 -12.786 11.081 -7.250 1.00 3.72 N ATOM 0 H LYS A 116 -7.720 6.214 -5.643 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.276 5.789 -4.394 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -9.398 7.950 -5.277 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -9.411 7.283 -6.897 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -11.859 7.070 -6.825 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -11.883 7.638 -5.167 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -10.844 9.786 -5.892 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -10.832 9.217 -7.550 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -13.306 9.046 -7.518 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -13.329 9.587 -5.851 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -13.767 11.405 -7.369 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -12.307 11.676 -6.544 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -12.286 11.152 -8.159 1.00 3.72 H new ATOM 1882 N LYS A 117 -9.553 4.195 -7.119 1.00 1.07 N ATOM 1883 CA LYS A 117 -9.986 3.169 -8.056 1.00 1.13 C ATOM 1884 C LYS A 117 -9.977 1.791 -7.390 1.00 1.02 C ATOM 1885 O LYS A 117 -10.876 0.978 -7.607 1.00 1.07 O ATOM 1886 CB LYS A 117 -9.072 3.177 -9.290 1.00 1.24 C ATOM 1887 CG LYS A 117 -9.490 2.203 -10.380 1.00 1.58 C ATOM 1888 CD LYS A 117 -10.894 2.501 -10.881 1.00 2.03 C ATOM 1889 CE LYS A 117 -11.270 1.608 -12.050 1.00 2.71 C ATOM 1890 NZ LYS A 117 -12.678 1.813 -12.477 1.00 3.47 N ATOM 0 H LYS A 117 -8.557 4.409 -7.169 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.007 3.385 -8.369 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -9.051 4.184 -9.706 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -8.055 2.940 -8.977 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -8.786 2.260 -11.210 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -9.448 1.184 -9.995 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -11.608 2.360 -10.070 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -10.959 3.546 -11.185 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -10.604 1.809 -12.889 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -11.124 0.565 -11.771 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -13.238 0.968 -12.244 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -13.074 2.638 -11.983 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -12.709 1.976 -13.504 1.00 3.47 H new ATOM 1904 N TYR A 118 -8.954 1.539 -6.581 1.00 0.95 N ATOM 1905 CA TYR A 118 -8.827 0.278 -5.858 1.00 0.95 C ATOM 1906 C TYR A 118 -9.817 0.228 -4.700 1.00 1.19 C ATOM 1907 O TYR A 118 -10.285 -0.842 -4.314 1.00 1.58 O ATOM 1908 CB TYR A 118 -7.388 0.106 -5.344 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.193 -1.068 -4.403 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -7.225 -2.378 -4.870 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -6.990 -0.862 -3.042 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.051 -3.446 -4.009 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -6.817 -1.925 -2.177 1.00 2.86 C ATOM 1914 CZ TYR A 118 -6.851 -3.213 -2.662 1.00 2.77 C ATOM 1915 OH TYR A 118 -6.685 -4.275 -1.797 1.00 3.35 O ATOM 0 H TYR A 118 -8.194 2.197 -6.408 1.00 0.95 H new ATOM 0 HA TYR A 118 -9.054 -0.542 -6.540 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -6.722 -0.015 -6.199 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -7.087 1.020 -4.832 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -7.388 -2.564 -5.921 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -6.967 0.146 -2.655 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -7.071 -4.457 -4.388 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -6.656 -1.746 -1.124 1.00 2.86 H new ATOM 0 HH TYR A 118 -6.554 -3.938 -0.886 1.00 3.35 H new ATOM 1925 N LEU A 119 -10.140 1.393 -4.158 1.00 1.95 N ATOM 1926 CA LEU A 119 -11.078 1.489 -3.051 1.00 3.13 C ATOM 1927 C LEU A 119 -12.321 2.286 -3.450 1.00 3.69 C ATOM 1928 O LEU A 119 -12.412 3.486 -3.188 1.00 4.16 O ATOM 1929 CB LEU A 119 -10.388 2.120 -1.840 1.00 3.96 C ATOM 1930 CG LEU A 119 -9.412 1.202 -1.101 1.00 4.75 C ATOM 1931 CD1 LEU A 119 -8.731 1.952 0.029 1.00 5.37 C ATOM 1932 CD2 LEU A 119 -10.132 -0.027 -0.563 1.00 5.51 C ATOM 0 H LEU A 119 -9.764 2.289 -4.469 1.00 1.95 H new ATOM 0 HA LEU A 119 -11.406 0.484 -2.784 1.00 3.13 H new ATOM 0 HB2 LEU A 119 -9.849 3.008 -2.170 1.00 3.96 H new ATOM 0 HB3 LEU A 119 -11.152 2.453 -1.138 1.00 3.96 H new ATOM 0 HG LEU A 119 -8.651 0.872 -1.808 1.00 4.75 H new ATOM 0 HD11 LEU A 119 -8.040 1.285 0.544 1.00 5.37 H new ATOM 0 HD12 LEU A 119 -8.181 2.801 -0.377 1.00 5.37 H new ATOM 0 HD13 LEU A 119 -9.482 2.310 0.733 1.00 5.37 H new ATOM 0 HD21 LEU A 119 -9.420 -0.666 -0.041 1.00 5.51 H new ATOM 0 HD22 LEU A 119 -10.915 0.284 0.128 1.00 5.51 H new ATOM 0 HD23 LEU A 119 -10.577 -0.579 -1.391 1.00 5.51 H new ATOM 1944 N PRO A 120 -13.275 1.620 -4.129 1.00 4.08 N ATOM 1945 CA PRO A 120 -14.538 2.230 -4.568 1.00 4.76 C ATOM 1946 C PRO A 120 -15.325 2.878 -3.440 1.00 5.30 C ATOM 1947 O PRO A 120 -15.768 4.023 -3.556 1.00 5.67 O ATOM 1948 CB PRO A 120 -15.364 1.049 -5.079 1.00 5.36 C ATOM 1949 CG PRO A 120 -14.611 -0.186 -4.717 1.00 5.32 C ATOM 1950 CD PRO A 120 -13.180 0.219 -4.555 1.00 4.35 C ATOM 0 HA PRO A 120 -14.333 3.015 -5.296 1.00 4.76 H new ATOM 0 HB2 PRO A 120 -16.355 1.045 -4.626 1.00 5.36 H new ATOM 0 HB3 PRO A 120 -15.506 1.114 -6.158 1.00 5.36 H new ATOM 0 HG2 PRO A 120 -14.998 -0.620 -3.795 1.00 5.32 H new ATOM 0 HG3 PRO A 120 -14.714 -0.944 -5.493 1.00 5.32 H new ATOM 0 HD2 PRO A 120 -12.669 -0.394 -3.812 1.00 4.35 H new ATOM 0 HD3 PRO A 120 -12.625 0.118 -5.488 1.00 4.35 H new ATOM 1958 N LEU A 121 -15.554 2.071 -2.401 1.00 5.76 N ATOM 1959 CA LEU A 121 -16.376 2.415 -1.230 1.00 6.64 C ATOM 1960 C LEU A 121 -17.817 1.999 -1.504 1.00 7.21 C ATOM 1961 O LEU A 121 -18.520 1.523 -0.614 1.00 8.02 O ATOM 1962 CB LEU A 121 -16.270 3.907 -0.850 1.00 7.00 C ATOM 1963 CG LEU A 121 -16.935 4.323 0.472 1.00 7.64 C ATOM 1964 CD1 LEU A 121 -16.261 5.568 1.028 1.00 8.32 C ATOM 1965 CD2 LEU A 121 -18.423 4.590 0.275 1.00 8.23 C ATOM 0 H LEU A 121 -15.162 1.131 -2.346 1.00 5.76 H new ATOM 0 HA LEU A 121 -15.999 1.869 -0.365 1.00 6.64 H new ATOM 0 HB2 LEU A 121 -15.214 4.173 -0.800 1.00 7.00 H new ATOM 0 HB3 LEU A 121 -16.710 4.497 -1.654 1.00 7.00 H new ATOM 0 HG LEU A 121 -16.821 3.502 1.180 1.00 7.64 H new ATOM 0 HD11 LEU A 121 -16.740 5.854 1.964 1.00 8.32 H new ATOM 0 HD12 LEU A 121 -15.206 5.361 1.208 1.00 8.32 H new ATOM 0 HD13 LEU A 121 -16.353 6.383 0.310 1.00 8.32 H new ATOM 0 HD21 LEU A 121 -18.869 4.882 1.226 1.00 8.23 H new ATOM 0 HD22 LEU A 121 -18.556 5.393 -0.450 1.00 8.23 H new ATOM 0 HD23 LEU A 121 -18.910 3.686 -0.091 1.00 8.23 H new ATOM 1977 N LYS A 122 -18.236 2.156 -2.753 1.00 6.97 N ATOM 1978 CA LYS A 122 -19.520 1.639 -3.199 1.00 7.57 C ATOM 1979 C LYS A 122 -19.301 0.427 -4.096 1.00 7.91 C ATOM 1980 O LYS A 122 -19.258 -0.707 -3.625 1.00 8.21 O ATOM 1981 CB LYS A 122 -20.331 2.715 -3.940 1.00 7.50 C ATOM 1982 CG LYS A 122 -19.492 3.638 -4.820 1.00 7.88 C ATOM 1983 CD LYS A 122 -20.339 4.347 -5.868 1.00 8.29 C ATOM 1984 CE LYS A 122 -21.485 5.138 -5.253 1.00 8.52 C ATOM 1985 NZ LYS A 122 -21.006 6.251 -4.391 1.00 9.01 N ATOM 0 H LYS A 122 -17.702 2.639 -3.476 1.00 6.97 H new ATOM 0 HA LYS A 122 -20.094 1.341 -2.321 1.00 7.57 H new ATOM 0 HB2 LYS A 122 -21.082 2.225 -4.560 1.00 7.50 H new ATOM 0 HB3 LYS A 122 -20.867 3.319 -3.207 1.00 7.50 H new ATOM 0 HG2 LYS A 122 -18.991 4.378 -4.196 1.00 7.88 H new ATOM 0 HG3 LYS A 122 -18.712 3.058 -5.315 1.00 7.88 H new ATOM 0 HD2 LYS A 122 -19.707 5.020 -6.447 1.00 8.29 H new ATOM 0 HD3 LYS A 122 -20.742 3.611 -6.564 1.00 8.29 H new ATOM 0 HE2 LYS A 122 -22.112 5.542 -6.048 1.00 8.52 H new ATOM 0 HE3 LYS A 122 -22.110 4.468 -4.663 1.00 8.52 H new ATOM 0 HZ1 LYS A 122 -21.822 6.781 -4.023 1.00 9.01 H new ATOM 0 HZ2 LYS A 122 -20.457 5.864 -3.597 1.00 9.01 H new ATOM 0 HZ3 LYS A 122 -20.403 6.888 -4.950 1.00 9.01 H new ATOM 1999 N SER A 123 -19.123 0.683 -5.381 1.00 8.13 N ATOM 2000 CA SER A 123 -18.826 -0.357 -6.347 1.00 8.74 C ATOM 2001 C SER A 123 -18.289 0.266 -7.631 1.00 9.13 C ATOM 2002 O SER A 123 -17.546 -0.378 -8.379 1.00 9.77 O ATOM 2003 CB SER A 123 -20.076 -1.190 -6.637 1.00 9.55 C ATOM 2004 OG SER A 123 -19.812 -2.226 -7.571 1.00 10.02 O ATOM 0 H SER A 123 -19.181 1.619 -5.783 1.00 8.13 H new ATOM 0 HA SER A 123 -18.065 -1.018 -5.932 1.00 8.74 H new ATOM 0 HB2 SER A 123 -20.448 -1.623 -5.709 1.00 9.55 H new ATOM 0 HB3 SER A 123 -20.863 -0.543 -7.024 1.00 9.55 H new ATOM 0 HG SER A 123 -20.632 -2.739 -7.731 1.00 10.02 H new ATOM 2010 N ASN A 124 -18.663 1.531 -7.861 1.00 8.97 N ATOM 2011 CA ASN A 124 -18.276 2.276 -9.061 1.00 9.58 C ATOM 2012 C ASN A 124 -19.034 1.737 -10.273 1.00 9.85 C ATOM 2013 O ASN A 124 -19.986 2.366 -10.736 1.00 10.46 O ATOM 2014 CB ASN A 124 -16.760 2.227 -9.296 1.00 9.87 C ATOM 2015 CG ASN A 124 -16.307 3.192 -10.374 1.00 10.41 C ATOM 2016 OD1 ASN A 124 -16.286 2.860 -11.558 1.00 10.72 O ATOM 2017 ND2 ASN A 124 -15.931 4.394 -9.964 1.00 10.73 N ATOM 0 H ASN A 124 -19.245 2.067 -7.216 1.00 8.97 H new ATOM 0 HA ASN A 124 -18.542 3.322 -8.912 1.00 9.58 H new ATOM 0 HB2 ASN A 124 -16.244 2.460 -8.365 1.00 9.87 H new ATOM 0 HB3 ASN A 124 -16.472 1.214 -9.576 1.00 9.87 H new ATOM 0 HD21 ASN A 124 -15.608 5.086 -10.641 1.00 10.73 H new ATOM 0 HD22 ASN A 124 -15.964 4.628 -8.972 1.00 10.73 H new ATOM 2024 N LEU A 125 -18.615 0.564 -10.753 1.00 9.60 N ATOM 2025 CA LEU A 125 -19.309 -0.157 -11.823 1.00 10.02 C ATOM 2026 C LEU A 125 -19.383 0.679 -13.098 1.00 10.81 C ATOM 2027 O LEU A 125 -20.296 1.490 -13.279 1.00 11.19 O ATOM 2028 CB LEU A 125 -20.717 -0.561 -11.356 1.00 10.19 C ATOM 2029 CG LEU A 125 -21.331 -1.797 -12.028 1.00 10.16 C ATOM 2030 CD1 LEU A 125 -22.634 -2.160 -11.341 1.00 10.20 C ATOM 2031 CD2 LEU A 125 -21.570 -1.569 -13.515 1.00 10.52 C ATOM 0 H LEU A 125 -17.782 0.086 -10.410 1.00 9.60 H new ATOM 0 HA LEU A 125 -18.740 -1.058 -12.053 1.00 10.02 H new ATOM 0 HB2 LEU A 125 -20.683 -0.738 -10.281 1.00 10.19 H new ATOM 0 HB3 LEU A 125 -21.386 0.284 -11.518 1.00 10.19 H new ATOM 0 HG LEU A 125 -20.623 -2.620 -11.930 1.00 10.16 H new ATOM 0 HD11 LEU A 125 -23.066 -3.038 -11.821 1.00 10.20 H new ATOM 0 HD12 LEU A 125 -22.443 -2.378 -10.290 1.00 10.20 H new ATOM 0 HD13 LEU A 125 -23.330 -1.325 -11.417 1.00 10.20 H new ATOM 0 HD21 LEU A 125 -22.005 -2.466 -13.955 1.00 10.52 H new ATOM 0 HD22 LEU A 125 -22.253 -0.731 -13.649 1.00 10.52 H new ATOM 0 HD23 LEU A 125 -20.623 -1.347 -14.006 1.00 10.52 H new ATOM 2043 N GLU A 126 -18.425 0.472 -13.983 1.00 11.23 N ATOM 2044 CA GLU A 126 -18.379 1.203 -15.238 1.00 12.15 C ATOM 2045 C GLU A 126 -18.122 0.255 -16.400 1.00 12.62 C ATOM 2046 O GLU A 126 -17.730 -0.897 -16.204 1.00 12.75 O ATOM 2047 CB GLU A 126 -17.281 2.268 -15.195 1.00 12.73 C ATOM 2048 CG GLU A 126 -15.901 1.693 -14.919 1.00 12.68 C ATOM 2049 CD GLU A 126 -14.790 2.715 -15.011 1.00 13.31 C ATOM 2050 OE1 GLU A 126 -15.098 3.926 -14.994 1.00 13.65 O ATOM 2051 OE2 GLU A 126 -13.608 2.325 -15.116 1.00 13.59 O ATOM 0 H GLU A 126 -17.666 -0.198 -13.856 1.00 11.23 H new ATOM 0 HA GLU A 126 -19.344 1.689 -15.383 1.00 12.15 H new ATOM 0 HB2 GLU A 126 -17.262 2.800 -16.146 1.00 12.73 H new ATOM 0 HB3 GLU A 126 -17.523 3.000 -14.425 1.00 12.73 H new ATOM 0 HG2 GLU A 126 -15.894 1.249 -13.923 1.00 12.68 H new ATOM 0 HG3 GLU A 126 -15.703 0.889 -15.628 1.00 12.68 H new ATOM 2058 N HIS A 127 -18.355 0.745 -17.606 1.00 13.05 N ATOM 2059 CA HIS A 127 -17.990 0.020 -18.809 1.00 13.73 C ATOM 2060 C HIS A 127 -16.992 0.845 -19.605 1.00 14.46 C ATOM 2061 O HIS A 127 -17.221 2.025 -19.868 1.00 15.02 O ATOM 2062 CB HIS A 127 -19.222 -0.341 -19.659 1.00 13.95 C ATOM 2063 CG HIS A 127 -20.164 0.795 -19.949 1.00 13.92 C ATOM 2064 ND1 HIS A 127 -21.340 0.984 -19.261 1.00 13.85 N ATOM 2065 CD2 HIS A 127 -20.109 1.787 -20.871 1.00 14.14 C ATOM 2066 CE1 HIS A 127 -21.969 2.038 -19.743 1.00 14.02 C ATOM 2067 NE2 HIS A 127 -21.246 2.547 -20.721 1.00 14.19 N ATOM 0 H HIS A 127 -18.798 1.648 -17.777 1.00 13.05 H new ATOM 0 HA HIS A 127 -17.528 -0.924 -18.521 1.00 13.73 H new ATOM 0 HB2 HIS A 127 -18.879 -0.756 -20.607 1.00 13.95 H new ATOM 0 HB3 HIS A 127 -19.776 -1.128 -19.148 1.00 13.95 H new ATOM 0 HD2 HIS A 127 -19.320 1.950 -21.590 1.00 14.14 H new ATOM 0 HE1 HIS A 127 -22.917 2.420 -19.395 1.00 14.02 H new ATOM 0 HE2 HIS A 127 -21.489 3.368 -21.275 1.00 14.19 H new ATOM 2076 N HIS A 128 -15.877 0.228 -19.964 1.00 14.57 N ATOM 2077 CA HIS A 128 -14.795 0.937 -20.635 1.00 15.36 C ATOM 2078 C HIS A 128 -15.176 1.301 -22.059 1.00 15.73 C ATOM 2079 O HIS A 128 -15.162 0.453 -22.949 1.00 15.78 O ATOM 2080 CB HIS A 128 -13.513 0.098 -20.644 1.00 15.59 C ATOM 2081 CG HIS A 128 -12.843 -0.017 -19.309 1.00 16.16 C ATOM 2082 ND1 HIS A 128 -12.763 -1.198 -18.603 1.00 16.55 N ATOM 2083 CD2 HIS A 128 -12.200 0.909 -18.559 1.00 16.56 C ATOM 2084 CE1 HIS A 128 -12.101 -0.996 -17.480 1.00 17.14 C ATOM 2085 NE2 HIS A 128 -11.747 0.274 -17.430 1.00 17.17 N ATOM 0 H HIS A 128 -15.696 -0.763 -19.802 1.00 14.57 H new ATOM 0 HA HIS A 128 -14.614 1.855 -20.076 1.00 15.36 H new ATOM 0 HB2 HIS A 128 -13.750 -0.902 -21.006 1.00 15.59 H new ATOM 0 HB3 HIS A 128 -12.811 0.536 -21.353 1.00 15.59 H new ATOM 0 HD2 HIS A 128 -12.068 1.953 -18.804 1.00 16.56 H new ATOM 0 HE1 HIS A 128 -11.886 -1.743 -16.730 1.00 17.14 H new ATOM 0 HE2 HIS A 128 -11.221 0.713 -16.674 1.00 17.17 H new ATOM 2094 N HIS A 129 -15.539 2.559 -22.265 1.00 16.11 N ATOM 2095 CA HIS A 129 -15.827 3.049 -23.602 1.00 16.58 C ATOM 2096 C HIS A 129 -14.544 3.080 -24.417 1.00 17.23 C ATOM 2097 O HIS A 129 -13.619 3.833 -24.110 1.00 17.50 O ATOM 2098 CB HIS A 129 -16.461 4.445 -23.553 1.00 16.58 C ATOM 2099 CG HIS A 129 -16.818 4.985 -24.906 1.00 16.90 C ATOM 2100 ND1 HIS A 129 -18.054 4.805 -25.484 1.00 16.88 N ATOM 2101 CD2 HIS A 129 -16.092 5.700 -25.799 1.00 17.40 C ATOM 2102 CE1 HIS A 129 -18.074 5.379 -26.669 1.00 17.35 C ATOM 2103 NE2 HIS A 129 -16.896 5.929 -26.886 1.00 17.66 N ATOM 0 H HIS A 129 -15.640 3.255 -21.526 1.00 16.11 H new ATOM 0 HA HIS A 129 -16.541 2.375 -24.075 1.00 16.58 H new ATOM 0 HB2 HIS A 129 -17.359 4.407 -22.937 1.00 16.58 H new ATOM 0 HB3 HIS A 129 -15.770 5.133 -23.066 1.00 16.58 H new ATOM 0 HD2 HIS A 129 -15.070 6.028 -25.677 1.00 17.40 H new ATOM 0 HE1 HIS A 129 -18.914 5.396 -27.348 1.00 17.35 H new ATOM 0 HE2 HIS A 129 -16.626 6.441 -27.726 1.00 17.66 H new ATOM 2112 N HIS A 130 -14.490 2.252 -25.440 1.00 17.61 N ATOM 2113 CA HIS A 130 -13.311 2.161 -26.280 1.00 18.35 C ATOM 2114 C HIS A 130 -13.483 3.036 -27.509 1.00 19.00 C ATOM 2115 O HIS A 130 -14.582 3.130 -28.062 1.00 19.31 O ATOM 2116 CB HIS A 130 -13.056 0.712 -26.702 1.00 18.48 C ATOM 2117 CG HIS A 130 -12.805 -0.217 -25.554 1.00 18.54 C ATOM 2118 ND1 HIS A 130 -13.726 -1.145 -25.122 1.00 19.17 N ATOM 2119 CD2 HIS A 130 -11.726 -0.359 -24.748 1.00 18.19 C ATOM 2120 CE1 HIS A 130 -13.225 -1.818 -24.105 1.00 19.21 C ATOM 2121 NE2 HIS A 130 -12.015 -1.361 -23.856 1.00 18.63 N ATOM 0 H HIS A 130 -15.251 1.630 -25.711 1.00 17.61 H new ATOM 0 HA HIS A 130 -12.451 2.509 -25.707 1.00 18.35 H new ATOM 0 HB2 HIS A 130 -13.915 0.352 -27.268 1.00 18.48 H new ATOM 0 HB3 HIS A 130 -12.198 0.685 -27.374 1.00 18.48 H new ATOM 0 HD2 HIS A 130 -10.809 0.210 -24.798 1.00 18.19 H new ATOM 0 HE1 HIS A 130 -13.723 -2.611 -23.567 1.00 19.21 H new ATOM 0 HE2 HIS A 130 -11.394 -1.697 -23.120 1.00 18.63 H new ATOM 2130 N HIS A 131 -12.409 3.691 -27.915 1.00 19.31 N ATOM 2131 CA HIS A 131 -12.425 4.512 -29.115 1.00 20.05 C ATOM 2132 C HIS A 131 -12.467 3.606 -30.340 1.00 20.81 C ATOM 2133 O HIS A 131 -11.445 3.042 -30.731 1.00 21.07 O ATOM 2134 CB HIS A 131 -11.190 5.422 -29.157 1.00 20.08 C ATOM 2135 CG HIS A 131 -11.255 6.489 -30.212 1.00 20.69 C ATOM 2136 ND1 HIS A 131 -10.519 6.452 -31.376 1.00 21.19 N ATOM 2137 CD2 HIS A 131 -11.970 7.636 -30.261 1.00 20.98 C ATOM 2138 CE1 HIS A 131 -10.777 7.528 -32.093 1.00 21.75 C ATOM 2139 NE2 HIS A 131 -11.657 8.266 -31.440 1.00 21.64 N ATOM 0 H HIS A 131 -11.512 3.670 -27.430 1.00 19.31 H new ATOM 0 HA HIS A 131 -13.310 5.148 -29.108 1.00 20.05 H new ATOM 0 HB2 HIS A 131 -11.066 5.895 -28.183 1.00 20.08 H new ATOM 0 HB3 HIS A 131 -10.305 4.809 -29.328 1.00 20.08 H new ATOM 0 HD2 HIS A 131 -12.661 7.991 -29.510 1.00 20.98 H new ATOM 0 HE1 HIS A 131 -10.342 7.766 -33.053 1.00 21.75 H new ATOM 0 HE2 HIS A 131 -12.040 9.156 -31.759 1.00 21.64 H new ATOM 2148 N HIS A 132 -13.664 3.448 -30.904 1.00 21.26 N ATOM 2149 CA HIS A 132 -13.902 2.542 -32.026 1.00 22.09 C ATOM 2150 C HIS A 132 -13.724 1.092 -31.576 1.00 22.39 C ATOM 2151 O HIS A 132 -12.616 0.541 -31.726 1.00 22.87 O ATOM 2152 CB HIS A 132 -12.985 2.868 -33.212 1.00 22.48 C ATOM 2153 CG HIS A 132 -13.281 2.070 -34.445 1.00 22.85 C ATOM 2154 ND1 HIS A 132 -12.529 0.985 -34.835 1.00 22.57 N ATOM 2155 CD2 HIS A 132 -14.247 2.212 -35.383 1.00 23.59 C ATOM 2156 CE1 HIS A 132 -13.017 0.494 -35.956 1.00 23.12 C ATOM 2157 NE2 HIS A 132 -14.061 1.218 -36.311 1.00 23.74 N ATOM 2158 OXT HIS A 132 -14.697 0.516 -31.045 1.00 22.23 O ATOM 0 H HIS A 132 -14.498 3.947 -30.594 1.00 21.26 H new ATOM 0 HA HIS A 132 -14.929 2.678 -32.364 1.00 22.09 H new ATOM 0 HB2 HIS A 132 -13.075 3.929 -33.447 1.00 22.48 H new ATOM 0 HB3 HIS A 132 -11.950 2.693 -32.917 1.00 22.48 H new ATOM 0 HD2 HIS A 132 -15.020 2.966 -35.398 1.00 23.59 H new ATOM 0 HE1 HIS A 132 -12.628 -0.358 -36.494 1.00 23.12 H new ATOM 0 HE2 HIS A 132 -14.636 1.064 -37.139 1.00 23.74 H new TER 2167 HIS A 132