USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 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 84 GLN : amide:sc= -2.25 K(o=-1.6,f=-0.66) USER MOD Set 1.2: A 87 CYS SG : rot -111:sc= 0.658 USER MOD Set 2.1: A 69 LYS NZ :NH3+ -172:sc= 0.859 (180deg=-0.0384) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= -2.23! USER MOD Set 3.1: A 7 MET CE :methyl 162:sc= -0.0984 (180deg=-0.549) USER MOD Set 3.2: A 39 ASN : amide:sc= 6e-05 K(o=0.16,f=-2.5) USER MOD Set 3.3: A 40 SER OG : rot 27:sc= 0.255 USER MOD Set 4.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 26 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= -2.14! USER MOD Set 5.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.558 K(o=0.56,f=-0.26) USER MOD Single : A 13 MET CE :methyl 139:sc= -0.275 (180deg=-0.969) USER MOD Single : A 15 THR OG1 : rot -36:sc= 0.604! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 60:sc= -0.206 USER MOD Single : A 36 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.002) USER MOD Single : A 37 GLN : amide:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 49 GLN : amide:sc= -2.09! K(o=-2.1!,f=-0.52) USER MOD Single : A 55 THR OG1 : rot -110:sc= -3.26! USER MOD Single : A 62 GLN : amide:sc= -5.5! C(o=-5.5!,f=-9.6!) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0261) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 1.93 (180deg=0.538) USER MOD Single : A 70 SER OG : rot 50:sc= 0.649 USER MOD Single : A 79 SER OG : rot -24:sc= 1.29 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.86 K(o=-1.9,f=-4.6!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= -1.32! (180deg=-1.81!) USER MOD ----------------------------------------------------------------- ATOM 95 N MET A 7 11.842 5.902 -2.106 1.00 0.32 N ATOM 96 CA MET A 7 12.181 4.849 -1.161 1.00 0.29 C ATOM 97 C MET A 7 12.766 5.427 0.118 1.00 0.34 C ATOM 98 O MET A 7 13.817 4.988 0.579 1.00 0.70 O ATOM 99 CB MET A 7 13.137 3.821 -1.772 1.00 0.35 C ATOM 100 CG MET A 7 12.419 2.633 -2.384 1.00 0.30 C ATOM 101 SD MET A 7 13.541 1.471 -3.186 1.00 0.45 S ATOM 102 CE MET A 7 14.548 0.956 -1.796 1.00 1.60 C ATOM 0 HA MET A 7 11.254 4.332 -0.913 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.742 4.306 -2.538 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.822 3.467 -1.001 1.00 0.35 H new ATOM 0 HG2 MET A 7 11.860 2.113 -1.606 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.692 2.991 -3.113 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.063 0.028 -2.044 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.283 1.730 -1.573 1.00 1.60 H new ATOM 0 HE3 MET A 7 13.912 0.797 -0.925 1.00 1.60 H new ATOM 112 N VAL A 8 12.081 6.425 0.675 1.00 0.31 N ATOM 113 CA VAL A 8 12.525 7.049 1.914 1.00 0.30 C ATOM 114 C VAL A 8 11.525 8.124 2.394 1.00 0.31 C ATOM 115 O VAL A 8 11.790 9.320 2.324 1.00 0.46 O ATOM 116 CB VAL A 8 13.960 7.637 1.737 1.00 0.39 C ATOM 117 CG1 VAL A 8 14.019 8.665 0.611 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.490 8.227 3.030 1.00 1.12 C ATOM 0 H VAL A 8 11.221 6.815 0.288 1.00 0.31 H new ATOM 0 HA VAL A 8 12.564 6.284 2.690 1.00 0.30 H new ATOM 0 HB VAL A 8 14.606 6.803 1.460 1.00 0.39 H new ATOM 0 HG11 VAL A 8 15.035 9.049 0.522 1.00 1.50 H new ATOM 0 HG12 VAL A 8 13.725 8.194 -0.327 1.00 1.50 H new ATOM 0 HG13 VAL A 8 13.339 9.487 0.833 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.491 8.626 2.865 1.00 1.12 H new ATOM 0 HG22 VAL A 8 13.830 9.029 3.361 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.530 7.451 3.794 1.00 1.12 H new ATOM 128 N GLN A 9 10.350 7.690 2.863 1.00 0.23 N ATOM 129 CA GLN A 9 9.393 8.623 3.462 1.00 0.24 C ATOM 130 C GLN A 9 8.973 8.195 4.875 1.00 0.26 C ATOM 131 O GLN A 9 9.202 8.923 5.835 1.00 0.38 O ATOM 132 CB GLN A 9 8.172 8.790 2.561 1.00 0.26 C ATOM 133 CG GLN A 9 8.436 9.634 1.323 1.00 0.31 C ATOM 134 CD GLN A 9 8.764 11.083 1.648 1.00 1.15 C ATOM 135 OE1 GLN A 9 7.877 11.934 1.709 1.00 1.97 O ATOM 136 NE2 GLN A 9 10.038 11.373 1.861 1.00 1.86 N ATOM 0 H GLN A 9 10.044 6.717 2.840 1.00 0.23 H new ATOM 0 HA GLN A 9 9.895 9.586 3.556 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.823 7.805 2.251 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.367 9.247 3.136 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.263 9.197 0.762 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.560 9.602 0.675 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.745 10.640 1.801 1.00 1.86 H new ATOM 0 HE22 GLN A 9 10.313 12.329 2.085 1.00 1.86 H new ATOM 145 N THR A 10 8.373 7.015 5.008 1.00 0.21 N ATOM 146 CA THR A 10 7.937 6.529 6.318 1.00 0.21 C ATOM 147 C THR A 10 8.730 5.286 6.722 1.00 0.21 C ATOM 148 O THR A 10 8.546 4.213 6.149 1.00 0.21 O ATOM 149 CB THR A 10 6.433 6.189 6.304 1.00 0.23 C ATOM 150 OG1 THR A 10 5.695 7.274 5.728 1.00 0.26 O ATOM 151 CG2 THR A 10 5.915 5.919 7.708 1.00 0.28 C ATOM 0 H THR A 10 8.178 6.381 4.233 1.00 0.21 H new ATOM 0 HA THR A 10 8.117 7.323 7.042 1.00 0.21 H new ATOM 0 HB THR A 10 6.298 5.288 5.706 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.740 7.052 5.720 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.852 5.682 7.664 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.457 5.078 8.140 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.065 6.803 8.327 1.00 0.28 H new ATOM 159 N GLU A 11 9.642 5.440 7.677 1.00 0.25 N ATOM 160 CA GLU A 11 10.494 4.336 8.089 1.00 0.28 C ATOM 161 C GLU A 11 9.924 3.516 9.246 1.00 0.25 C ATOM 162 O GLU A 11 9.290 4.034 10.170 1.00 0.40 O ATOM 163 CB GLU A 11 11.883 4.842 8.461 1.00 0.45 C ATOM 164 CG GLU A 11 12.925 3.737 8.505 1.00 0.47 C ATOM 165 CD GLU A 11 14.330 4.261 8.707 1.00 0.70 C ATOM 166 OE1 GLU A 11 15.004 4.565 7.702 1.00 1.15 O ATOM 167 OE2 GLU A 11 14.767 4.371 9.872 1.00 1.50 O ATOM 0 H GLU A 11 9.808 6.314 8.176 1.00 0.25 H new ATOM 0 HA GLU A 11 10.551 3.670 7.228 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.193 5.598 7.740 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.837 5.330 9.435 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.681 3.046 9.312 1.00 0.47 H new ATOM 0 HG3 GLU A 11 12.884 3.169 7.576 1.00 0.47 H new ATOM 174 N GLU A 12 10.177 2.227 9.128 1.00 0.31 N ATOM 175 CA GLU A 12 9.934 1.211 10.139 1.00 0.31 C ATOM 176 C GLU A 12 11.075 0.200 9.970 1.00 0.33 C ATOM 177 O GLU A 12 11.782 0.264 8.961 1.00 0.50 O ATOM 178 CB GLU A 12 8.560 0.559 9.918 1.00 0.38 C ATOM 179 CG GLU A 12 7.784 0.260 11.195 1.00 0.56 C ATOM 180 CD GLU A 12 8.288 -0.960 11.932 1.00 0.89 C ATOM 181 OE1 GLU A 12 9.308 -0.852 12.642 1.00 1.37 O ATOM 182 OE2 GLU A 12 7.671 -2.034 11.804 1.00 1.56 O ATOM 0 H GLU A 12 10.581 1.837 8.276 1.00 0.31 H new ATOM 0 HA GLU A 12 9.916 1.620 11.149 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.959 1.215 9.289 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.699 -0.371 9.367 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.841 1.124 11.857 1.00 0.56 H new ATOM 0 HG3 GLU A 12 6.732 0.117 10.947 1.00 0.56 H new ATOM 189 N MET A 13 11.256 -0.728 10.902 1.00 0.38 N ATOM 190 CA MET A 13 12.497 -1.511 10.966 1.00 0.46 C ATOM 191 C MET A 13 12.842 -2.260 9.668 1.00 0.40 C ATOM 192 O MET A 13 13.997 -2.240 9.245 1.00 0.49 O ATOM 193 CB MET A 13 12.446 -2.507 12.120 1.00 0.61 C ATOM 194 CG MET A 13 12.340 -1.861 13.491 1.00 0.92 C ATOM 195 SD MET A 13 12.415 -3.066 14.829 1.00 1.76 S ATOM 196 CE MET A 13 14.045 -3.762 14.559 1.00 2.64 C ATOM 0 H MET A 13 10.570 -0.960 11.620 1.00 0.38 H new ATOM 0 HA MET A 13 13.287 -0.777 11.124 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.594 -3.171 11.976 1.00 0.61 H new ATOM 0 HB3 MET A 13 13.342 -3.127 12.091 1.00 0.61 H new ATOM 0 HG2 MET A 13 13.147 -1.138 13.612 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.403 -1.307 13.557 1.00 0.92 H new ATOM 0 HE1 MET A 13 14.542 -3.907 15.518 1.00 2.64 H new ATOM 0 HE2 MET A 13 13.951 -4.722 14.050 1.00 2.64 H new ATOM 0 HE3 MET A 13 14.634 -3.081 13.944 1.00 2.64 H new ATOM 206 N GLU A 14 11.874 -2.901 9.013 1.00 0.30 N ATOM 207 CA GLU A 14 12.185 -3.598 7.762 1.00 0.28 C ATOM 208 C GLU A 14 11.603 -2.879 6.551 1.00 0.31 C ATOM 209 O GLU A 14 11.505 -3.446 5.476 1.00 0.61 O ATOM 210 CB GLU A 14 11.725 -5.054 7.781 1.00 0.33 C ATOM 211 CG GLU A 14 12.333 -5.894 6.656 1.00 0.45 C ATOM 212 CD GLU A 14 13.848 -5.918 6.714 1.00 0.86 C ATOM 213 OE1 GLU A 14 14.398 -6.548 7.641 1.00 1.33 O ATOM 214 OE2 GLU A 14 14.493 -5.311 5.832 1.00 1.19 O ATOM 0 H GLU A 14 10.900 -2.954 9.313 1.00 0.30 H new ATOM 0 HA GLU A 14 13.272 -3.591 7.675 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.988 -5.499 8.741 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.638 -5.086 7.703 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.952 -6.913 6.720 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.014 -5.494 5.693 1.00 0.45 H new ATOM 221 N THR A 15 11.119 -1.677 6.742 1.00 0.20 N ATOM 222 CA THR A 15 10.817 -0.813 5.613 1.00 0.18 C ATOM 223 C THR A 15 12.075 -0.076 5.211 1.00 0.21 C ATOM 224 O THR A 15 12.899 0.246 6.067 1.00 0.30 O ATOM 225 CB THR A 15 9.740 0.221 5.929 1.00 0.23 C ATOM 226 OG1 THR A 15 10.283 1.185 6.818 1.00 1.04 O ATOM 227 CG2 THR A 15 8.527 -0.431 6.554 1.00 0.90 C ATOM 0 H THR A 15 10.925 -1.271 7.657 1.00 0.20 H new ATOM 0 HA THR A 15 10.444 -1.450 4.811 1.00 0.18 H new ATOM 0 HB THR A 15 9.422 0.699 5.003 1.00 0.23 H new ATOM 0 HG1 THR A 15 10.900 0.746 7.439 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.776 0.329 6.769 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.113 -1.166 5.864 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.817 -0.926 7.481 1.00 0.90 H new ATOM 235 N PRO A 16 12.254 0.221 3.931 1.00 0.21 N ATOM 236 CA PRO A 16 13.338 1.066 3.496 1.00 0.24 C ATOM 237 C PRO A 16 12.880 2.513 3.557 1.00 0.21 C ATOM 238 O PRO A 16 13.194 3.329 2.693 1.00 0.22 O ATOM 239 CB PRO A 16 13.597 0.590 2.070 1.00 0.28 C ATOM 240 CG PRO A 16 12.326 -0.058 1.612 1.00 0.26 C ATOM 241 CD PRO A 16 11.398 -0.168 2.806 1.00 0.19 C ATOM 0 HA PRO A 16 14.242 1.010 4.103 1.00 0.24 H new ATOM 0 HB2 PRO A 16 13.864 1.425 1.423 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.427 -0.115 2.039 1.00 0.28 H new ATOM 0 HG2 PRO A 16 11.861 0.531 0.822 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.530 -1.045 1.196 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.536 0.492 2.709 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.012 -1.181 2.925 1.00 0.19 H new ATOM 249 N ARG A 17 12.115 2.793 4.617 1.00 0.21 N ATOM 250 CA ARG A 17 11.406 4.046 4.789 1.00 0.21 C ATOM 251 C ARG A 17 10.450 4.254 3.621 1.00 0.19 C ATOM 252 O ARG A 17 10.614 5.153 2.815 1.00 0.28 O ATOM 253 CB ARG A 17 12.387 5.218 4.923 1.00 0.26 C ATOM 254 CG ARG A 17 11.746 6.468 5.503 1.00 0.39 C ATOM 255 CD ARG A 17 12.756 7.564 5.784 1.00 0.37 C ATOM 256 NE ARG A 17 12.119 8.742 6.379 1.00 1.13 N ATOM 257 CZ ARG A 17 12.475 10.000 6.118 1.00 1.48 C ATOM 258 NH1 ARG A 17 13.499 10.253 5.314 1.00 1.46 N ATOM 259 NH2 ARG A 17 11.816 11.006 6.678 1.00 2.42 N ATOM 0 H ARG A 17 11.975 2.139 5.387 1.00 0.21 H new ATOM 0 HA ARG A 17 10.827 4.004 5.711 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.220 4.916 5.558 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.802 5.451 3.942 1.00 0.26 H new ATOM 0 HG2 ARG A 17 10.993 6.842 4.809 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.228 6.211 6.427 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.526 7.187 6.457 1.00 0.37 H new ATOM 0 HD3 ARG A 17 13.254 7.848 4.857 1.00 0.37 H new ATOM 0 HE ARG A 17 11.353 8.590 7.036 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.018 9.483 4.892 1.00 1.46 H new ATOM 0 HH12 ARG A 17 13.767 11.217 5.118 1.00 1.46 H new ATOM 0 HH21 ARG A 17 11.037 10.817 7.308 1.00 2.42 H new ATOM 0 HH22 ARG A 17 12.089 11.968 6.478 1.00 2.42 H new ATOM 273 N LEU A 18 9.446 3.410 3.519 1.00 0.16 N ATOM 274 CA LEU A 18 8.547 3.467 2.381 1.00 0.14 C ATOM 275 C LEU A 18 7.137 3.896 2.755 1.00 0.13 C ATOM 276 O LEU A 18 6.503 3.315 3.633 1.00 0.15 O ATOM 277 CB LEU A 18 8.490 2.128 1.683 1.00 0.19 C ATOM 278 CG LEU A 18 9.382 1.991 0.451 1.00 0.23 C ATOM 279 CD1 LEU A 18 10.773 2.517 0.723 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.431 0.543 -0.008 1.00 0.27 C ATOM 0 H LEU A 18 9.231 2.683 4.201 1.00 0.16 H new ATOM 0 HA LEU A 18 8.954 4.225 1.712 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.766 1.353 2.398 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.459 1.936 1.387 1.00 0.19 H new ATOM 0 HG LEU A 18 8.952 2.593 -0.349 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.385 2.406 -0.172 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.717 3.571 0.996 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.221 1.954 1.541 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.071 0.461 -0.887 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.833 -0.079 0.792 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.425 0.207 -0.259 1.00 0.27 H new ATOM 292 N SER A 19 6.650 4.893 2.031 1.00 0.16 N ATOM 293 CA SER A 19 5.341 5.461 2.263 1.00 0.16 C ATOM 294 C SER A 19 4.523 5.479 0.974 1.00 0.14 C ATOM 295 O SER A 19 4.950 6.024 -0.044 1.00 0.18 O ATOM 296 CB SER A 19 5.507 6.866 2.807 1.00 0.23 C ATOM 297 OG SER A 19 4.260 7.507 3.002 1.00 0.67 O ATOM 0 H SER A 19 7.159 5.330 1.263 1.00 0.16 H new ATOM 0 HA SER A 19 4.804 4.849 2.987 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.047 6.828 3.753 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.113 7.453 2.117 1.00 0.23 H new ATOM 0 HG SER A 19 4.408 8.409 3.355 1.00 0.67 H new ATOM 303 N VAL A 20 3.347 4.896 1.052 1.00 0.14 N ATOM 304 CA VAL A 20 2.462 4.704 -0.085 1.00 0.14 C ATOM 305 C VAL A 20 1.308 5.697 -0.056 1.00 0.13 C ATOM 306 O VAL A 20 0.931 6.214 1.001 1.00 0.14 O ATOM 307 CB VAL A 20 1.880 3.275 -0.088 1.00 0.19 C ATOM 308 CG1 VAL A 20 1.009 3.065 1.122 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.088 2.986 -1.350 1.00 0.85 C ATOM 0 H VAL A 20 2.967 4.533 1.926 1.00 0.14 H new ATOM 0 HA VAL A 20 3.055 4.864 -0.986 1.00 0.14 H new ATOM 0 HB VAL A 20 2.721 2.582 -0.058 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.605 2.053 1.108 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.602 3.206 2.026 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.189 3.783 1.109 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.697 1.969 -1.309 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.260 3.690 -1.429 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.738 3.090 -2.219 1.00 0.85 H new ATOM 319 N ILE A 21 0.764 5.949 -1.232 1.00 0.16 N ATOM 320 CA ILE A 21 -0.385 6.814 -1.387 1.00 0.18 C ATOM 321 C ILE A 21 -1.638 5.963 -1.403 1.00 0.16 C ATOM 322 O ILE A 21 -1.858 5.191 -2.337 1.00 0.20 O ATOM 323 CB ILE A 21 -0.278 7.566 -2.725 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.186 7.901 -2.997 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.130 8.827 -2.710 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.450 8.376 -4.407 1.00 0.73 C ATOM 0 H ILE A 21 1.110 5.557 -2.108 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.424 7.528 -0.564 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.654 6.928 -3.525 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.509 8.672 -2.297 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.794 7.018 -2.801 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.037 9.340 -3.667 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.173 8.559 -2.542 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.791 9.486 -1.911 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.511 8.595 -4.525 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.159 7.598 -5.113 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.870 9.278 -4.602 1.00 0.73 H new ATOM 338 N VAL A 22 -2.454 6.110 -0.373 1.00 0.14 N ATOM 339 CA VAL A 22 -3.698 5.373 -0.288 1.00 0.13 C ATOM 340 C VAL A 22 -4.852 6.312 -0.507 1.00 0.13 C ATOM 341 O VAL A 22 -5.131 7.174 0.329 1.00 0.20 O ATOM 342 CB VAL A 22 -3.878 4.685 1.070 1.00 0.15 C ATOM 343 CG1 VAL A 22 -5.130 3.829 1.063 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.658 3.856 1.415 1.00 0.20 C ATOM 0 H VAL A 22 -2.275 6.733 0.414 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.669 4.601 -1.057 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.991 5.452 1.837 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.246 3.346 2.033 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.999 4.457 0.864 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.046 3.068 0.287 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.806 3.376 2.382 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.508 3.093 0.651 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.781 4.501 1.460 1.00 0.20 H new ATOM 354 N THR A 23 -5.547 6.117 -1.595 1.00 0.15 N ATOM 355 CA THR A 23 -6.538 7.066 -2.024 1.00 0.18 C ATOM 356 C THR A 23 -7.901 6.404 -2.250 1.00 0.15 C ATOM 357 O THR A 23 -7.994 5.246 -2.645 1.00 0.16 O ATOM 358 CB THR A 23 -6.025 7.792 -3.293 1.00 0.33 C ATOM 359 OG1 THR A 23 -5.051 8.776 -2.924 1.00 1.21 O ATOM 360 CG2 THR A 23 -7.149 8.451 -4.082 1.00 0.87 C ATOM 0 H THR A 23 -5.444 5.305 -2.203 1.00 0.15 H new ATOM 0 HA THR A 23 -6.692 7.802 -1.235 1.00 0.18 H new ATOM 0 HB THR A 23 -5.575 7.039 -3.939 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.727 9.233 -3.728 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.735 8.945 -4.961 1.00 0.87 H new ATOM 0 HG22 THR A 23 -7.866 7.693 -4.396 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.651 9.187 -3.454 1.00 0.87 H new ATOM 368 N HIS A 24 -8.947 7.134 -1.907 1.00 0.20 N ATOM 369 CA HIS A 24 -10.315 6.746 -2.201 1.00 0.24 C ATOM 370 C HIS A 24 -11.017 7.971 -2.764 1.00 0.34 C ATOM 371 O HIS A 24 -11.329 8.897 -2.016 1.00 0.38 O ATOM 372 CB HIS A 24 -10.994 6.257 -0.907 1.00 0.31 C ATOM 373 CG HIS A 24 -12.490 6.378 -0.879 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.159 7.047 0.125 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.442 5.917 -1.723 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.457 6.995 -0.106 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.655 6.316 -1.220 1.00 0.96 N ATOM 0 H HIS A 24 -8.870 8.022 -1.411 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.358 5.932 -2.925 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.728 5.212 -0.750 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.585 6.819 -0.068 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.719 7.509 0.921 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.278 5.343 -2.623 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.227 7.434 0.512 1.00 1.08 H new ATOM 386 N SER A 25 -11.279 7.955 -4.071 1.00 0.41 N ATOM 387 CA SER A 25 -11.806 9.118 -4.808 1.00 0.55 C ATOM 388 C SER A 25 -10.805 10.293 -4.802 1.00 0.60 C ATOM 389 O SER A 25 -10.490 10.868 -5.843 1.00 0.99 O ATOM 390 CB SER A 25 -13.156 9.562 -4.227 1.00 0.63 C ATOM 391 OG SER A 25 -13.804 10.491 -5.085 1.00 1.17 O ATOM 0 H SER A 25 -11.133 7.133 -4.657 1.00 0.41 H new ATOM 0 HA SER A 25 -11.955 8.811 -5.843 1.00 0.55 H new ATOM 0 HB2 SER A 25 -13.795 8.692 -4.080 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.002 10.014 -3.247 1.00 0.63 H new ATOM 0 HG SER A 25 -14.662 10.756 -4.692 1.00 1.17 H new ATOM 397 N ASN A 26 -10.299 10.606 -3.621 1.00 0.44 N ATOM 398 CA ASN A 26 -9.396 11.726 -3.390 1.00 0.50 C ATOM 399 C ASN A 26 -8.764 11.559 -2.023 1.00 0.43 C ATOM 400 O ASN A 26 -7.600 11.896 -1.805 1.00 0.47 O ATOM 401 CB ASN A 26 -10.143 13.067 -3.443 1.00 0.65 C ATOM 402 CG ASN A 26 -11.332 13.133 -2.494 1.00 1.42 C ATOM 403 OD1 ASN A 26 -12.437 12.715 -2.838 1.00 2.19 O ATOM 404 ND2 ASN A 26 -11.124 13.670 -1.299 1.00 2.02 N ATOM 0 H ASN A 26 -10.508 10.077 -2.774 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.636 11.732 -4.172 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -9.449 13.871 -3.201 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.490 13.242 -4.461 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -11.893 13.746 -0.633 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -10.195 14.007 -1.046 1.00 2.02 H new ATOM 411 N GLU A 27 -9.567 11.013 -1.119 1.00 0.41 N ATOM 412 CA GLU A 27 -9.189 10.781 0.261 1.00 0.42 C ATOM 413 C GLU A 27 -7.891 9.981 0.363 1.00 0.37 C ATOM 414 O GLU A 27 -7.866 8.770 0.130 1.00 0.49 O ATOM 415 CB GLU A 27 -10.330 10.043 0.936 1.00 0.50 C ATOM 416 CG GLU A 27 -10.045 9.652 2.356 1.00 0.58 C ATOM 417 CD GLU A 27 -11.135 8.778 2.931 1.00 1.21 C ATOM 418 OE1 GLU A 27 -11.724 7.980 2.165 1.00 1.58 O ATOM 419 OE2 GLU A 27 -11.406 8.890 4.139 1.00 1.75 O ATOM 0 H GLU A 27 -10.518 10.714 -1.333 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.006 11.735 0.755 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.220 10.672 0.914 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.560 9.146 0.361 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.093 9.123 2.402 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.941 10.550 2.965 1.00 0.58 H new ATOM 426 N ARG A 28 -6.828 10.663 0.748 1.00 0.33 N ATOM 427 CA ARG A 28 -5.493 10.093 0.712 1.00 0.33 C ATOM 428 C ARG A 28 -4.872 10.052 2.103 1.00 0.30 C ATOM 429 O ARG A 28 -4.856 11.049 2.822 1.00 0.36 O ATOM 430 CB ARG A 28 -4.608 10.892 -0.259 1.00 0.48 C ATOM 431 CG ARG A 28 -3.251 10.261 -0.537 1.00 0.72 C ATOM 432 CD ARG A 28 -2.183 10.714 0.449 1.00 0.76 C ATOM 433 NE ARG A 28 -1.879 12.139 0.312 1.00 1.75 N ATOM 434 CZ ARG A 28 -0.791 12.722 0.810 1.00 2.38 C ATOM 435 NH1 ARG A 28 0.095 12.015 1.497 1.00 2.45 N ATOM 436 NH2 ARG A 28 -0.592 14.021 0.626 1.00 3.31 N ATOM 0 H ARG A 28 -6.864 11.622 1.093 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.567 9.065 0.357 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.140 11.010 -1.203 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.454 11.891 0.148 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.343 9.176 -0.494 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -2.937 10.515 -1.549 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.519 10.511 1.466 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.274 10.133 0.292 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.543 12.722 -0.197 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -0.055 11.017 1.647 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.926 12.469 1.876 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -1.273 14.572 0.103 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.242 14.468 1.007 1.00 3.31 H new ATOM 450 N TYR A 29 -4.378 8.882 2.466 1.00 0.28 N ATOM 451 CA TYR A 29 -3.697 8.667 3.734 1.00 0.27 C ATOM 452 C TYR A 29 -2.309 8.109 3.469 1.00 0.25 C ATOM 453 O TYR A 29 -2.138 7.274 2.576 1.00 0.27 O ATOM 454 CB TYR A 29 -4.480 7.700 4.630 1.00 0.34 C ATOM 455 CG TYR A 29 -5.771 8.265 5.182 1.00 0.93 C ATOM 456 CD1 TYR A 29 -6.955 8.164 4.466 1.00 1.65 C ATOM 457 CD2 TYR A 29 -5.806 8.891 6.422 1.00 1.30 C ATOM 458 CE1 TYR A 29 -8.137 8.669 4.967 1.00 2.31 C ATOM 459 CE2 TYR A 29 -6.987 9.398 6.932 1.00 1.95 C ATOM 460 CZ TYR A 29 -8.149 9.285 6.198 1.00 2.36 C ATOM 461 OH TYR A 29 -9.329 9.788 6.695 1.00 3.09 O ATOM 0 H TYR A 29 -4.438 8.046 1.885 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.624 9.623 4.253 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.706 6.799 4.060 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.844 7.400 5.463 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -6.951 7.682 3.500 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -4.896 8.983 6.997 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -9.049 8.581 4.396 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -6.999 9.879 7.899 1.00 1.95 H new ATOM 0 HH TYR A 29 -9.169 10.190 7.574 1.00 3.09 H new ATOM 471 N ASP A 30 -1.320 8.591 4.207 1.00 0.27 N ATOM 472 CA ASP A 30 0.038 8.082 4.071 1.00 0.30 C ATOM 473 C ASP A 30 0.127 6.744 4.776 1.00 0.25 C ATOM 474 O ASP A 30 -0.131 6.646 5.977 1.00 0.34 O ATOM 475 CB ASP A 30 1.060 9.033 4.706 1.00 0.50 C ATOM 476 CG ASP A 30 1.107 10.393 4.052 1.00 1.27 C ATOM 477 OD1 ASP A 30 1.889 10.569 3.096 1.00 1.99 O ATOM 478 OD2 ASP A 30 0.347 11.285 4.479 1.00 2.01 O ATOM 0 H ASP A 30 -1.430 9.329 4.902 1.00 0.27 H new ATOM 0 HA ASP A 30 0.264 7.988 3.009 1.00 0.30 H new ATOM 0 HB2 ASP A 30 0.823 9.155 5.763 1.00 0.50 H new ATOM 0 HB3 ASP A 30 2.049 8.579 4.652 1.00 0.50 H new ATOM 483 N LEU A 31 0.482 5.724 4.026 1.00 0.18 N ATOM 484 CA LEU A 31 0.551 4.372 4.545 1.00 0.15 C ATOM 485 C LEU A 31 1.955 3.830 4.311 1.00 0.14 C ATOM 486 O LEU A 31 2.658 4.312 3.436 1.00 0.18 O ATOM 487 CB LEU A 31 -0.514 3.503 3.868 1.00 0.15 C ATOM 488 CG LEU A 31 -1.380 2.663 4.805 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.580 1.501 5.366 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.912 3.528 5.934 1.00 0.16 C ATOM 0 H LEU A 31 0.731 5.806 3.040 1.00 0.18 H new ATOM 0 HA LEU A 31 0.350 4.361 5.616 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.167 4.151 3.284 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.017 2.834 3.165 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.221 2.262 4.240 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.211 0.912 6.032 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.230 0.872 4.548 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.276 1.883 5.922 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.528 2.922 6.598 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.077 3.947 6.496 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.513 4.338 5.520 1.00 0.16 H new ATOM 502 N LEU A 32 2.395 2.885 5.111 1.00 0.15 N ATOM 503 CA LEU A 32 3.769 2.426 5.022 1.00 0.16 C ATOM 504 C LEU A 32 3.843 0.985 4.519 1.00 0.14 C ATOM 505 O LEU A 32 3.058 0.130 4.935 1.00 0.14 O ATOM 506 CB LEU A 32 4.450 2.626 6.387 1.00 0.19 C ATOM 507 CG LEU A 32 5.514 1.603 6.799 1.00 0.22 C ATOM 508 CD1 LEU A 32 6.530 2.262 7.714 1.00 0.52 C ATOM 509 CD2 LEU A 32 4.877 0.418 7.515 1.00 0.73 C ATOM 0 H LEU A 32 1.832 2.422 5.824 1.00 0.15 H new ATOM 0 HA LEU A 32 4.312 3.018 4.285 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.912 3.613 6.392 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.674 2.633 7.153 1.00 0.19 H new ATOM 0 HG LEU A 32 6.010 1.240 5.899 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.285 1.532 8.005 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.008 3.090 7.190 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.027 2.639 8.605 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.651 -0.295 7.798 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.361 0.768 8.409 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.162 -0.067 6.850 1.00 0.73 H new ATOM 521 N VAL A 33 4.812 0.734 3.633 1.00 0.14 N ATOM 522 CA VAL A 33 4.978 -0.572 2.993 1.00 0.14 C ATOM 523 C VAL A 33 5.354 -1.616 4.033 1.00 0.14 C ATOM 524 O VAL A 33 6.042 -1.312 5.008 1.00 0.15 O ATOM 525 CB VAL A 33 6.046 -0.525 1.848 1.00 0.17 C ATOM 526 CG1 VAL A 33 7.036 -1.682 1.929 1.00 0.98 C ATOM 527 CG2 VAL A 33 5.345 -0.534 0.502 1.00 1.15 C ATOM 0 H VAL A 33 5.500 1.428 3.341 1.00 0.14 H new ATOM 0 HA VAL A 33 4.026 -0.847 2.538 1.00 0.14 H new ATOM 0 HB VAL A 33 6.618 0.395 1.967 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.755 -1.603 1.114 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.563 -1.644 2.882 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.499 -2.627 1.849 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.088 -0.501 -0.295 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.751 -1.443 0.407 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.692 0.336 0.426 1.00 1.15 H new ATOM 537 N THR A 34 4.915 -2.849 3.816 1.00 0.14 N ATOM 538 CA THR A 34 4.898 -3.831 4.875 1.00 0.17 C ATOM 539 C THR A 34 6.250 -4.509 5.037 1.00 0.17 C ATOM 540 O THR A 34 6.785 -5.123 4.110 1.00 0.18 O ATOM 541 CB THR A 34 3.801 -4.872 4.609 1.00 0.19 C ATOM 542 OG1 THR A 34 2.563 -4.190 4.350 1.00 0.21 O ATOM 543 CG2 THR A 34 3.630 -5.813 5.794 1.00 0.23 C ATOM 0 H THR A 34 4.569 -3.185 2.917 1.00 0.14 H new ATOM 0 HA THR A 34 4.681 -3.313 5.809 1.00 0.17 H new ATOM 0 HB THR A 34 4.091 -5.471 3.746 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.666 -3.613 3.565 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.846 -6.537 5.573 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.567 -6.338 5.980 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.354 -5.238 6.678 1.00 0.23 H new ATOM 551 N PRO A 35 6.815 -4.381 6.250 1.00 0.18 N ATOM 552 CA PRO A 35 8.132 -4.887 6.587 1.00 0.20 C ATOM 553 C PRO A 35 8.147 -6.400 6.743 1.00 0.23 C ATOM 554 O PRO A 35 7.095 -7.029 6.875 1.00 0.35 O ATOM 555 CB PRO A 35 8.486 -4.202 7.913 1.00 0.27 C ATOM 556 CG PRO A 35 7.339 -3.305 8.253 1.00 0.32 C ATOM 557 CD PRO A 35 6.177 -3.743 7.414 1.00 0.22 C ATOM 0 HA PRO A 35 8.850 -4.672 5.796 1.00 0.20 H new ATOM 0 HB2 PRO A 35 8.646 -4.940 8.699 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.409 -3.631 7.819 1.00 0.27 H new ATOM 0 HG2 PRO A 35 7.097 -3.374 9.313 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.590 -2.264 8.050 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.534 -4.440 7.951 1.00 0.22 H new ATOM 0 HD3 PRO A 35 5.555 -2.899 7.118 1.00 0.22 H new ATOM 565 N GLN A 36 9.355 -6.959 6.671 1.00 0.26 N ATOM 566 CA GLN A 36 9.613 -8.397 6.805 1.00 0.29 C ATOM 567 C GLN A 36 9.486 -9.097 5.460 1.00 0.30 C ATOM 568 O GLN A 36 9.319 -10.314 5.390 1.00 0.73 O ATOM 569 CB GLN A 36 8.718 -9.067 7.859 1.00 0.42 C ATOM 570 CG GLN A 36 8.959 -8.564 9.276 1.00 0.59 C ATOM 571 CD GLN A 36 8.063 -9.238 10.299 1.00 0.98 C ATOM 572 OE1 GLN A 36 8.438 -9.402 11.458 1.00 1.69 O ATOM 573 NE2 GLN A 36 6.870 -9.627 9.879 1.00 1.72 N ATOM 0 H GLN A 36 10.203 -6.414 6.514 1.00 0.26 H new ATOM 0 HA GLN A 36 10.639 -8.499 7.158 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.674 -8.899 7.596 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.884 -10.144 7.832 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.002 -8.734 9.545 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.793 -7.487 9.308 1.00 0.59 H new ATOM 0 HE21 GLN A 36 6.596 -9.473 8.909 1.00 1.72 H new ATOM 0 HE22 GLN A 36 6.225 -10.081 10.526 1.00 1.72 H new ATOM 582 N GLN A 37 9.554 -8.315 4.390 1.00 0.33 N ATOM 583 CA GLN A 37 9.688 -8.878 3.056 1.00 0.26 C ATOM 584 C GLN A 37 11.152 -8.829 2.646 1.00 0.30 C ATOM 585 O GLN A 37 11.940 -9.726 2.942 1.00 0.74 O ATOM 586 CB GLN A 37 8.870 -8.105 2.013 1.00 0.23 C ATOM 587 CG GLN A 37 8.095 -9.015 1.075 1.00 0.26 C ATOM 588 CD GLN A 37 8.948 -10.133 0.497 1.00 0.44 C ATOM 589 OE1 GLN A 37 9.583 -9.973 -0.544 1.00 1.02 O ATOM 590 NE2 GLN A 37 8.969 -11.273 1.171 1.00 1.42 N ATOM 0 H GLN A 37 9.519 -7.296 4.421 1.00 0.33 H new ATOM 0 HA GLN A 37 9.314 -9.901 3.091 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.173 -7.441 2.525 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.540 -7.475 1.428 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.252 -9.449 1.612 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.682 -8.421 0.260 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.429 -11.367 2.031 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.526 -12.057 0.830 1.00 1.42 H new ATOM 599 N GLY A 38 11.487 -7.750 1.971 1.00 0.43 N ATOM 600 CA GLY A 38 12.851 -7.437 1.640 1.00 0.34 C ATOM 601 C GLY A 38 12.990 -5.947 1.616 1.00 0.38 C ATOM 602 O GLY A 38 13.878 -5.408 0.966 1.00 0.83 O ATOM 0 H GLY A 38 10.811 -7.063 1.636 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.531 -7.872 2.373 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.115 -7.860 0.671 1.00 0.34 H new ATOM 606 N ASN A 39 12.056 -5.312 2.350 1.00 0.27 N ATOM 607 CA ASN A 39 11.800 -3.855 2.374 1.00 0.22 C ATOM 608 C ASN A 39 11.523 -3.254 1.001 1.00 0.21 C ATOM 609 O ASN A 39 10.603 -2.455 0.849 1.00 0.27 O ATOM 610 CB ASN A 39 12.882 -3.045 3.115 1.00 0.29 C ATOM 611 CG ASN A 39 14.302 -3.249 2.631 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.726 -2.662 1.634 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.055 -4.060 3.359 1.00 1.11 N ATOM 0 H ASN A 39 11.429 -5.823 2.972 1.00 0.27 H new ATOM 0 HA ASN A 39 10.880 -3.769 2.953 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.638 -1.986 3.031 1.00 0.29 H new ATOM 0 HB3 ASN A 39 12.839 -3.299 4.174 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.029 -4.220 3.102 1.00 1.11 H new ATOM 0 HD22 ASN A 39 14.661 -4.525 4.177 1.00 1.11 H new ATOM 620 N SER A 40 12.272 -3.660 0.009 1.00 0.24 N ATOM 621 CA SER A 40 12.197 -3.052 -1.300 1.00 0.32 C ATOM 622 C SER A 40 11.059 -3.642 -2.109 1.00 0.32 C ATOM 623 O SER A 40 10.615 -3.051 -3.079 1.00 0.50 O ATOM 624 CB SER A 40 13.511 -3.257 -2.036 1.00 0.40 C ATOM 625 OG SER A 40 14.608 -2.772 -1.274 1.00 1.42 O ATOM 0 H SER A 40 12.950 -4.419 0.082 1.00 0.24 H new ATOM 0 HA SER A 40 12.010 -1.986 -1.173 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.651 -4.317 -2.246 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.477 -2.743 -2.997 1.00 0.40 H new ATOM 0 HG SER A 40 14.386 -2.810 -0.320 1.00 1.42 H new ATOM 631 N GLU A 41 10.573 -4.797 -1.691 1.00 0.24 N ATOM 632 CA GLU A 41 9.537 -5.482 -2.425 1.00 0.31 C ATOM 633 C GLU A 41 8.558 -6.044 -1.423 1.00 0.26 C ATOM 634 O GLU A 41 8.808 -7.060 -0.802 1.00 0.30 O ATOM 635 CB GLU A 41 10.122 -6.565 -3.346 1.00 0.45 C ATOM 636 CG GLU A 41 10.988 -7.598 -2.644 1.00 1.12 C ATOM 637 CD GLU A 41 11.657 -8.549 -3.612 1.00 1.32 C ATOM 638 OE1 GLU A 41 10.950 -9.261 -4.356 1.00 1.66 O ATOM 639 OE2 GLU A 41 12.906 -8.586 -3.639 1.00 1.83 O ATOM 0 H GLU A 41 10.883 -5.277 -0.846 1.00 0.24 H new ATOM 0 HA GLU A 41 9.018 -4.788 -3.086 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.301 -7.079 -3.846 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.715 -6.081 -4.122 1.00 0.45 H new ATOM 0 HG2 GLU A 41 11.751 -7.088 -2.055 1.00 1.12 H new ATOM 0 HG3 GLU A 41 10.374 -8.168 -1.946 1.00 1.12 H new ATOM 646 N PRO A 42 7.474 -5.317 -1.207 1.00 0.22 N ATOM 647 CA PRO A 42 6.488 -5.613 -0.167 1.00 0.21 C ATOM 648 C PRO A 42 5.794 -6.965 -0.351 1.00 0.20 C ATOM 649 O PRO A 42 5.863 -7.578 -1.411 1.00 0.20 O ATOM 650 CB PRO A 42 5.482 -4.470 -0.294 1.00 0.23 C ATOM 651 CG PRO A 42 6.205 -3.402 -1.031 1.00 0.26 C ATOM 652 CD PRO A 42 7.116 -4.117 -1.970 1.00 0.24 C ATOM 0 HA PRO A 42 6.958 -5.685 0.814 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.590 -4.788 -0.834 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.155 -4.122 0.686 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.511 -2.758 -1.571 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.766 -2.764 -0.348 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.620 -4.365 -2.908 1.00 0.24 H new ATOM 0 HD3 PRO A 42 7.992 -3.519 -2.221 1.00 0.24 H new ATOM 660 N VAL A 43 5.144 -7.436 0.706 1.00 0.21 N ATOM 661 CA VAL A 43 4.482 -8.733 0.682 1.00 0.22 C ATOM 662 C VAL A 43 3.157 -8.657 -0.066 1.00 0.19 C ATOM 663 O VAL A 43 2.608 -7.575 -0.238 1.00 0.17 O ATOM 664 CB VAL A 43 4.202 -9.273 2.101 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.486 -9.611 2.837 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.377 -8.284 2.907 1.00 0.24 C ATOM 0 H VAL A 43 5.061 -6.937 1.592 1.00 0.21 H new ATOM 0 HA VAL A 43 5.166 -9.411 0.172 1.00 0.22 H new ATOM 0 HB VAL A 43 3.629 -10.193 1.987 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.247 -9.988 3.832 1.00 0.32 H new ATOM 0 HG12 VAL A 43 6.034 -10.373 2.282 1.00 0.32 H new ATOM 0 HG13 VAL A 43 6.101 -8.715 2.926 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.194 -8.689 3.902 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.919 -7.342 2.992 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.425 -8.110 2.405 1.00 0.24 H new ATOM 676 N VAL A 44 2.631 -9.811 -0.471 1.00 0.22 N ATOM 677 CA VAL A 44 1.309 -9.888 -1.108 1.00 0.22 C ATOM 678 C VAL A 44 0.261 -9.202 -0.238 1.00 0.20 C ATOM 679 O VAL A 44 -0.724 -8.661 -0.726 1.00 0.25 O ATOM 680 CB VAL A 44 0.880 -11.349 -1.374 1.00 0.27 C ATOM 681 CG1 VAL A 44 1.620 -11.910 -2.575 1.00 0.36 C ATOM 682 CG2 VAL A 44 1.123 -12.221 -0.148 1.00 0.36 C ATOM 0 H VAL A 44 3.099 -10.712 -0.371 1.00 0.22 H new ATOM 0 HA VAL A 44 1.384 -9.377 -2.068 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.189 -11.353 -1.588 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.306 -12.939 -2.748 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.393 -11.309 -3.455 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.693 -11.885 -2.385 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.813 -13.244 -0.362 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.184 -12.208 0.103 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.547 -11.835 0.693 1.00 0.36 H new ATOM 692 N GLN A 45 0.495 -9.253 1.058 1.00 0.19 N ATOM 693 CA GLN A 45 -0.386 -8.642 2.035 1.00 0.19 C ATOM 694 C GLN A 45 -0.358 -7.124 1.917 1.00 0.16 C ATOM 695 O GLN A 45 -1.369 -6.470 2.131 1.00 0.19 O ATOM 696 CB GLN A 45 -0.005 -9.053 3.457 1.00 0.25 C ATOM 697 CG GLN A 45 -0.053 -10.554 3.692 1.00 0.62 C ATOM 698 CD GLN A 45 0.175 -10.930 5.145 1.00 0.89 C ATOM 699 OE1 GLN A 45 -0.162 -10.172 6.058 1.00 1.66 O ATOM 700 NE2 GLN A 45 0.743 -12.104 5.370 1.00 1.44 N ATOM 0 H GLN A 45 1.305 -9.721 1.465 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.396 -8.996 1.828 1.00 0.19 H new ATOM 0 HB2 GLN A 45 1.001 -8.692 3.673 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.678 -8.562 4.160 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.022 -10.937 3.370 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.703 -11.038 3.073 1.00 0.62 H new ATOM 0 HE21 GLN A 45 1.007 -12.701 4.587 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.917 -12.411 6.327 1.00 1.44 H new ATOM 709 N ASP A 46 0.808 -6.579 1.565 1.00 0.15 N ATOM 710 CA ASP A 46 1.072 -5.147 1.694 1.00 0.14 C ATOM 711 C ASP A 46 0.100 -4.314 0.881 1.00 0.14 C ATOM 712 O ASP A 46 -0.385 -3.289 1.350 1.00 0.15 O ATOM 713 CB ASP A 46 2.515 -4.838 1.283 1.00 0.17 C ATOM 714 CG ASP A 46 2.710 -3.384 0.914 1.00 0.14 C ATOM 715 OD1 ASP A 46 2.500 -3.028 -0.271 1.00 0.17 O ATOM 716 OD2 ASP A 46 3.077 -2.604 1.808 1.00 0.16 O ATOM 0 H ASP A 46 1.589 -7.114 1.186 1.00 0.15 H new ATOM 0 HA ASP A 46 0.931 -4.879 2.741 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.186 -5.095 2.102 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.791 -5.465 0.435 1.00 0.17 H new ATOM 721 N LEU A 47 -0.215 -4.779 -0.310 1.00 0.18 N ATOM 722 CA LEU A 47 -1.103 -4.048 -1.194 1.00 0.22 C ATOM 723 C LEU A 47 -2.473 -3.862 -0.529 1.00 0.19 C ATOM 724 O LEU A 47 -3.043 -2.764 -0.534 1.00 0.22 O ATOM 725 CB LEU A 47 -1.205 -4.803 -2.528 1.00 0.28 C ATOM 726 CG LEU A 47 -1.623 -6.273 -2.410 1.00 0.62 C ATOM 727 CD1 LEU A 47 -3.091 -6.443 -2.721 1.00 1.07 C ATOM 728 CD2 LEU A 47 -0.794 -7.157 -3.320 1.00 1.01 C ATOM 0 H LEU A 47 0.130 -5.660 -0.690 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.707 -3.052 -1.393 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.922 -4.287 -3.166 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.239 -4.755 -3.030 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.445 -6.580 -1.379 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.363 -7.495 -2.630 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.682 -5.854 -2.020 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.289 -6.103 -3.738 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.115 -8.193 -3.212 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -0.928 -6.841 -4.355 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.258 -7.074 -3.048 1.00 1.01 H new ATOM 740 N ALA A 48 -2.966 -4.931 0.083 1.00 0.18 N ATOM 741 CA ALA A 48 -4.212 -4.884 0.832 1.00 0.17 C ATOM 742 C ALA A 48 -4.039 -4.055 2.095 1.00 0.14 C ATOM 743 O ALA A 48 -4.910 -3.270 2.459 1.00 0.16 O ATOM 744 CB ALA A 48 -4.669 -6.291 1.184 1.00 0.19 C ATOM 0 H ALA A 48 -2.517 -5.847 0.074 1.00 0.18 H new ATOM 0 HA ALA A 48 -4.974 -4.415 0.210 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.603 -6.241 1.744 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.825 -6.862 0.269 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -3.907 -6.780 1.791 1.00 0.19 H new ATOM 750 N GLN A 49 -2.883 -4.218 2.723 1.00 0.13 N ATOM 751 CA GLN A 49 -2.590 -3.603 4.008 1.00 0.13 C ATOM 752 C GLN A 49 -2.631 -2.105 3.921 1.00 0.12 C ATOM 753 O GLN A 49 -3.210 -1.440 4.765 1.00 0.13 O ATOM 754 CB GLN A 49 -1.195 -4.001 4.483 1.00 0.15 C ATOM 755 CG GLN A 49 -0.748 -3.284 5.743 1.00 0.20 C ATOM 756 CD GLN A 49 -1.462 -3.773 6.986 1.00 0.33 C ATOM 757 OE1 GLN A 49 -1.018 -4.711 7.646 1.00 0.94 O ATOM 758 NE2 GLN A 49 -2.579 -3.143 7.310 1.00 1.35 N ATOM 0 H GLN A 49 -2.119 -4.783 2.353 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.350 -3.952 4.707 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.176 -5.076 4.662 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.479 -3.797 3.687 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.326 -3.420 5.870 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.923 -2.214 5.627 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -2.913 -2.369 6.736 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -3.106 -3.431 8.134 1.00 1.35 H new ATOM 767 N LEU A 50 -1.989 -1.592 2.911 1.00 0.12 N ATOM 768 CA LEU A 50 -1.860 -0.159 2.748 1.00 0.12 C ATOM 769 C LEU A 50 -3.236 0.512 2.647 1.00 0.12 C ATOM 770 O LEU A 50 -3.584 1.402 3.437 1.00 0.13 O ATOM 771 CB LEU A 50 -1.047 0.099 1.491 1.00 0.12 C ATOM 772 CG LEU A 50 0.382 -0.466 1.498 1.00 0.11 C ATOM 773 CD1 LEU A 50 1.055 -0.236 0.159 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.194 0.157 2.614 1.00 0.13 C ATOM 0 H LEU A 50 -1.541 -2.143 2.179 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.358 0.267 3.617 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.582 -0.324 0.641 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.992 1.176 1.330 1.00 0.12 H new ATOM 0 HG LEU A 50 0.324 -1.540 1.672 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.066 -0.643 0.185 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.484 -0.732 -0.625 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.100 0.833 -0.047 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.203 -0.255 2.604 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.241 1.236 2.471 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.723 -0.061 3.572 1.00 0.13 H new ATOM 786 N VAL A 51 -4.041 0.021 1.725 1.00 0.11 N ATOM 787 CA VAL A 51 -5.393 0.524 1.533 1.00 0.10 C ATOM 788 C VAL A 51 -6.250 0.273 2.780 1.00 0.10 C ATOM 789 O VAL A 51 -7.082 1.104 3.147 1.00 0.10 O ATOM 790 CB VAL A 51 -5.978 -0.131 0.286 1.00 0.11 C ATOM 791 CG1 VAL A 51 -7.249 -0.893 0.568 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.189 0.922 -0.779 1.00 0.18 C ATOM 0 H VAL A 51 -3.781 -0.734 1.090 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.378 1.604 1.386 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.263 -0.872 -0.073 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.619 -1.337 -0.356 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.048 -1.681 1.294 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.000 -0.212 0.970 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.607 0.458 -1.672 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.878 1.681 -0.409 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.234 1.387 -1.025 1.00 0.18 H new ATOM 802 N GLU A 52 -5.996 -0.854 3.448 1.00 0.11 N ATOM 803 CA GLU A 52 -6.710 -1.219 4.668 1.00 0.12 C ATOM 804 C GLU A 52 -6.324 -0.307 5.831 1.00 0.13 C ATOM 805 O GLU A 52 -7.180 0.274 6.494 1.00 0.16 O ATOM 806 CB GLU A 52 -6.385 -2.674 5.045 1.00 0.17 C ATOM 807 CG GLU A 52 -6.749 -3.043 6.479 1.00 0.50 C ATOM 808 CD GLU A 52 -6.237 -4.409 6.887 1.00 0.53 C ATOM 809 OE1 GLU A 52 -6.885 -5.422 6.540 1.00 0.74 O ATOM 810 OE2 GLU A 52 -5.181 -4.484 7.545 1.00 0.74 O ATOM 0 H GLU A 52 -5.293 -1.534 3.159 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.777 -1.108 4.477 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.914 -3.341 4.364 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.319 -2.847 4.896 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.342 -2.292 7.156 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.833 -3.019 6.590 1.00 0.50 H new ATOM 817 N GLU A 53 -5.024 -0.149 6.038 1.00 0.13 N ATOM 818 CA GLU A 53 -4.503 0.520 7.219 1.00 0.15 C ATOM 819 C GLU A 53 -4.776 2.013 7.170 1.00 0.16 C ATOM 820 O GLU A 53 -4.788 2.681 8.205 1.00 0.19 O ATOM 821 CB GLU A 53 -3.004 0.247 7.381 1.00 0.19 C ATOM 822 CG GLU A 53 -2.398 0.888 8.621 1.00 0.24 C ATOM 823 CD GLU A 53 -0.952 0.508 8.852 1.00 0.84 C ATOM 824 OE1 GLU A 53 -0.700 -0.584 9.397 1.00 1.32 O ATOM 825 OE2 GLU A 53 -0.064 1.324 8.529 1.00 1.51 O ATOM 0 H GLU A 53 -4.305 -0.480 5.395 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.021 0.114 8.088 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.842 -0.830 7.423 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.479 0.614 6.499 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.471 1.972 8.532 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.985 0.599 9.493 1.00 0.24 H new ATOM 832 N ALA A 54 -5.012 2.535 5.968 1.00 0.16 N ATOM 833 CA ALA A 54 -5.239 3.965 5.802 1.00 0.18 C ATOM 834 C ALA A 54 -6.363 4.462 6.708 1.00 0.21 C ATOM 835 O ALA A 54 -6.219 5.493 7.361 1.00 0.30 O ATOM 836 CB ALA A 54 -5.564 4.276 4.354 1.00 0.24 C ATOM 0 H ALA A 54 -5.050 1.994 5.104 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.324 4.484 6.087 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.732 5.347 4.241 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.731 3.970 3.720 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.463 3.735 4.058 1.00 0.24 H new ATOM 842 N THR A 55 -7.479 3.750 6.744 1.00 0.25 N ATOM 843 CA THR A 55 -8.541 4.096 7.680 1.00 0.33 C ATOM 844 C THR A 55 -8.768 2.989 8.719 1.00 0.29 C ATOM 845 O THR A 55 -9.490 3.178 9.698 1.00 0.39 O ATOM 846 CB THR A 55 -9.849 4.413 6.933 1.00 0.51 C ATOM 847 OG1 THR A 55 -9.565 5.306 5.847 1.00 1.14 O ATOM 848 CG2 THR A 55 -10.871 5.068 7.853 1.00 1.66 C ATOM 0 H THR A 55 -7.673 2.944 6.149 1.00 0.25 H new ATOM 0 HA THR A 55 -8.222 4.990 8.215 1.00 0.33 H new ATOM 0 HB THR A 55 -10.266 3.476 6.565 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.942 6.189 6.043 1.00 1.14 H new ATOM 0 HG21 THR A 55 -11.782 5.278 7.293 1.00 1.66 H new ATOM 0 HG22 THR A 55 -11.100 4.396 8.680 1.00 1.66 H new ATOM 0 HG23 THR A 55 -10.463 6.000 8.245 1.00 1.66 H new ATOM 856 N GLY A 56 -8.132 1.840 8.522 1.00 0.25 N ATOM 857 CA GLY A 56 -8.366 0.705 9.402 1.00 0.26 C ATOM 858 C GLY A 56 -9.510 -0.152 8.899 1.00 0.29 C ATOM 859 O GLY A 56 -10.108 -0.928 9.644 1.00 0.34 O ATOM 0 H GLY A 56 -7.461 1.672 7.773 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.460 0.103 9.472 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.590 1.061 10.408 1.00 0.26 H new ATOM 863 N VAL A 57 -9.799 0.002 7.619 1.00 0.30 N ATOM 864 CA VAL A 57 -10.948 -0.624 6.985 1.00 0.36 C ATOM 865 C VAL A 57 -10.610 -2.020 6.451 1.00 0.29 C ATOM 866 O VAL A 57 -9.557 -2.230 5.862 1.00 0.26 O ATOM 867 CB VAL A 57 -11.484 0.289 5.853 1.00 0.50 C ATOM 868 CG1 VAL A 57 -10.349 1.061 5.197 1.00 1.62 C ATOM 869 CG2 VAL A 57 -12.256 -0.504 4.809 1.00 1.33 C ATOM 0 H VAL A 57 -9.238 0.570 6.984 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.726 -0.751 7.737 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.173 1.000 6.309 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -10.750 1.695 4.406 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -9.853 1.682 5.943 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -9.630 0.360 4.772 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.616 0.171 4.032 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -11.601 -1.254 4.364 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -13.105 -0.998 5.282 1.00 1.33 H new ATOM 879 N PRO A 58 -11.513 -2.993 6.677 1.00 0.32 N ATOM 880 CA PRO A 58 -11.331 -4.389 6.244 1.00 0.34 C ATOM 881 C PRO A 58 -11.339 -4.570 4.730 1.00 0.31 C ATOM 882 O PRO A 58 -11.964 -3.782 4.013 1.00 0.27 O ATOM 883 CB PRO A 58 -12.543 -5.102 6.832 1.00 0.39 C ATOM 884 CG PRO A 58 -13.562 -4.025 6.946 1.00 0.39 C ATOM 885 CD PRO A 58 -12.794 -2.816 7.382 1.00 0.37 C ATOM 0 HA PRO A 58 -10.363 -4.768 6.572 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.885 -5.910 6.186 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.316 -5.544 7.802 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.064 -3.853 5.994 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.334 -4.286 7.670 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.293 -1.891 7.094 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.663 -2.785 8.464 1.00 0.37 H new ATOM 893 N LEU A 59 -10.688 -5.629 4.256 1.00 0.35 N ATOM 894 CA LEU A 59 -10.573 -5.906 2.820 1.00 0.36 C ATOM 895 C LEU A 59 -11.912 -5.807 2.058 1.00 0.36 C ATOM 896 O LEU A 59 -11.952 -5.185 0.996 1.00 0.37 O ATOM 897 CB LEU A 59 -9.956 -7.292 2.572 1.00 0.45 C ATOM 898 CG LEU A 59 -8.431 -7.387 2.702 1.00 1.21 C ATOM 899 CD1 LEU A 59 -7.977 -7.124 4.127 1.00 1.79 C ATOM 900 CD2 LEU A 59 -7.948 -8.752 2.236 1.00 2.08 C ATOM 0 H LEU A 59 -10.226 -6.318 4.850 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.919 -5.126 2.431 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.404 -7.997 3.272 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.235 -7.617 1.570 1.00 0.45 H new ATOM 0 HG LEU A 59 -7.992 -6.618 2.066 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -6.891 -7.199 4.183 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.287 -6.124 4.429 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -8.426 -7.860 4.794 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.864 -8.807 2.333 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.407 -9.529 2.848 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.227 -8.900 1.193 1.00 2.08 H new ATOM 912 N PRO A 60 -13.033 -6.378 2.569 1.00 0.38 N ATOM 913 CA PRO A 60 -14.294 -6.423 1.814 1.00 0.41 C ATOM 914 C PRO A 60 -14.926 -5.046 1.616 1.00 0.38 C ATOM 915 O PRO A 60 -15.806 -4.874 0.773 1.00 0.46 O ATOM 916 CB PRO A 60 -15.211 -7.306 2.667 1.00 0.47 C ATOM 917 CG PRO A 60 -14.309 -7.976 3.639 1.00 0.52 C ATOM 918 CD PRO A 60 -13.198 -7.008 3.888 1.00 0.42 C ATOM 0 HA PRO A 60 -14.128 -6.804 0.806 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.968 -6.711 3.177 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.739 -8.035 2.053 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.836 -8.214 4.563 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -13.928 -8.915 3.238 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.457 -6.280 4.657 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.287 -7.509 4.217 1.00 0.42 H new ATOM 926 N PHE A 61 -14.472 -4.065 2.384 1.00 0.33 N ATOM 927 CA PHE A 61 -15.057 -2.733 2.324 1.00 0.34 C ATOM 928 C PHE A 61 -14.348 -1.846 1.312 1.00 0.28 C ATOM 929 O PHE A 61 -14.899 -0.841 0.858 1.00 0.31 O ATOM 930 CB PHE A 61 -15.021 -2.075 3.695 1.00 0.37 C ATOM 931 CG PHE A 61 -16.291 -2.259 4.476 1.00 0.44 C ATOM 932 CD1 PHE A 61 -16.471 -3.370 5.282 1.00 0.45 C ATOM 933 CD2 PHE A 61 -17.306 -1.321 4.398 1.00 0.66 C ATOM 934 CE1 PHE A 61 -17.641 -3.543 5.995 1.00 0.56 C ATOM 935 CE2 PHE A 61 -18.478 -1.490 5.109 1.00 0.77 C ATOM 936 CZ PHE A 61 -18.645 -2.602 5.909 1.00 0.68 C ATOM 0 H PHE A 61 -13.707 -4.165 3.051 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.092 -2.850 2.002 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.189 -2.486 4.266 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.828 -1.009 3.574 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.688 -4.110 5.354 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -17.180 -0.448 3.775 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.769 -4.415 6.619 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.264 -0.752 5.039 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.560 -2.735 6.467 1.00 0.68 H new ATOM 946 N GLN A 62 -13.139 -2.224 0.942 1.00 0.22 N ATOM 947 CA GLN A 62 -12.386 -1.458 -0.029 1.00 0.19 C ATOM 948 C GLN A 62 -12.078 -2.302 -1.250 1.00 0.19 C ATOM 949 O GLN A 62 -11.882 -3.511 -1.155 1.00 0.33 O ATOM 950 CB GLN A 62 -11.077 -0.929 0.558 1.00 0.19 C ATOM 951 CG GLN A 62 -10.162 -2.005 1.089 1.00 0.25 C ATOM 952 CD GLN A 62 -9.679 -1.721 2.485 1.00 0.40 C ATOM 953 OE1 GLN A 62 -9.562 -0.571 2.883 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.368 -2.770 3.218 1.00 0.29 N ATOM 0 H GLN A 62 -12.661 -3.052 1.297 1.00 0.22 H new ATOM 0 HA GLN A 62 -13.006 -0.608 -0.315 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.549 -0.364 -0.210 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.308 -0.233 1.364 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.687 -2.960 1.078 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.303 -2.106 0.425 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.484 -3.710 2.839 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.011 -2.643 4.165 1.00 0.29 H new ATOM 963 N LYS A 63 -12.070 -1.671 -2.401 1.00 0.19 N ATOM 964 CA LYS A 63 -11.558 -2.304 -3.594 1.00 0.18 C ATOM 965 C LYS A 63 -10.214 -1.684 -3.918 1.00 0.13 C ATOM 966 O LYS A 63 -10.141 -0.699 -4.651 1.00 0.14 O ATOM 967 CB LYS A 63 -12.524 -2.127 -4.770 1.00 0.26 C ATOM 968 CG LYS A 63 -12.080 -2.834 -6.043 1.00 1.14 C ATOM 969 CD LYS A 63 -13.019 -2.537 -7.202 1.00 1.68 C ATOM 970 CE LYS A 63 -12.484 -3.093 -8.511 1.00 2.52 C ATOM 971 NZ LYS A 63 -12.384 -4.576 -8.493 1.00 3.15 N ATOM 0 H LYS A 63 -12.412 -0.720 -2.537 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.449 -3.375 -3.421 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.506 -2.502 -4.481 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.638 -1.063 -4.977 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.069 -2.518 -6.302 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -12.043 -3.909 -5.869 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.999 -2.967 -6.997 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -13.157 -1.460 -7.293 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -13.136 -2.785 -9.328 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -11.501 -2.667 -8.710 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -12.079 -4.915 -9.428 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -11.690 -4.868 -7.776 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -13.313 -4.984 -8.263 1.00 3.15 H new ATOM 985 N LEU A 64 -9.151 -2.248 -3.362 1.00 0.12 N ATOM 986 CA LEU A 64 -7.830 -1.700 -3.558 1.00 0.10 C ATOM 987 C LEU A 64 -7.341 -2.098 -4.922 1.00 0.12 C ATOM 988 O LEU A 64 -7.207 -3.285 -5.232 1.00 0.14 O ATOM 989 CB LEU A 64 -6.872 -2.185 -2.448 1.00 0.11 C ATOM 990 CG LEU A 64 -5.352 -1.976 -2.662 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.722 -3.134 -3.419 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.071 -0.675 -3.389 1.00 0.51 C ATOM 0 H LEU A 64 -9.184 -3.081 -2.775 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.865 -0.612 -3.498 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.152 -1.683 -1.522 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.046 -3.251 -2.298 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.901 -1.930 -1.671 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.656 -2.947 -3.548 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.864 -4.057 -2.856 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.194 -3.229 -4.397 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -3.996 -0.558 -3.523 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.559 -0.690 -4.364 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.456 0.160 -2.803 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.126 -1.071 -5.722 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.570 -1.189 -7.043 1.00 0.14 C ATOM 1006 C ILE A 65 -5.380 -0.255 -7.154 1.00 0.15 C ATOM 1007 O ILE A 65 -5.532 0.971 -7.094 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.613 -0.735 -8.068 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -8.907 -1.551 -7.935 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -7.060 -0.820 -9.486 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -8.740 -3.022 -8.256 1.00 1.20 C ATOM 0 H ILE A 65 -7.341 -0.110 -5.458 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.276 -2.222 -7.226 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.851 0.309 -7.862 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -9.285 -1.452 -6.917 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.662 -1.128 -8.598 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.821 -0.492 -10.194 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.183 -0.179 -9.573 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.780 -1.850 -9.706 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -9.697 -3.531 -8.139 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -8.393 -3.133 -9.283 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -8.010 -3.462 -7.577 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.203 -0.828 -7.204 1.00 0.17 N ATOM 1024 CA PHE A 66 -3.001 -0.096 -7.529 1.00 0.18 C ATOM 1025 C PHE A 66 -1.870 -1.052 -7.806 1.00 0.20 C ATOM 1026 O PHE A 66 -1.896 -2.167 -7.301 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.625 0.965 -6.523 1.00 0.19 C ATOM 1028 CG PHE A 66 -2.588 2.324 -7.174 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -1.725 2.568 -8.231 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.427 3.344 -6.755 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -1.698 3.800 -8.855 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.401 4.581 -7.372 1.00 0.28 C ATOM 1033 CZ PHE A 66 -2.538 4.808 -8.425 1.00 0.36 C ATOM 0 H PHE A 66 -4.050 -1.819 -7.020 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.216 0.467 -8.437 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.344 0.968 -5.704 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.651 0.736 -6.092 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.065 1.784 -8.571 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.110 3.171 -5.936 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.021 3.975 -9.678 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.056 5.369 -7.030 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.520 5.772 -8.912 1.00 0.36 H new ATOM 1043 N LYS A 67 -0.947 -0.665 -8.677 1.00 0.22 N ATOM 1044 CA LYS A 67 0.290 -1.426 -8.939 1.00 0.25 C ATOM 1045 C LYS A 67 -0.007 -2.776 -9.569 1.00 0.28 C ATOM 1046 O LYS A 67 0.746 -3.731 -9.398 1.00 0.32 O ATOM 1047 CB LYS A 67 1.194 -1.623 -7.669 1.00 0.25 C ATOM 1048 CG LYS A 67 0.539 -1.526 -6.272 1.00 0.18 C ATOM 1049 CD LYS A 67 1.538 -1.928 -5.185 1.00 0.21 C ATOM 1050 CE LYS A 67 0.895 -2.099 -3.814 1.00 0.18 C ATOM 1051 NZ LYS A 67 1.880 -1.931 -2.701 1.00 0.19 N ATOM 0 H LYS A 67 -1.026 0.189 -9.230 1.00 0.22 H new ATOM 0 HA LYS A 67 0.854 -0.813 -9.642 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.665 -2.603 -7.747 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.992 -0.882 -7.713 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.191 -0.508 -6.096 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.336 -2.174 -6.228 1.00 0.18 H new ATOM 0 HD2 LYS A 67 2.021 -2.862 -5.472 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.320 -1.171 -5.121 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.092 -1.371 -3.698 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.441 -3.088 -3.749 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.648 -2.589 -1.930 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.838 -2.133 -3.052 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.840 -0.954 -2.346 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.078 -2.832 -10.350 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.519 -4.091 -10.919 1.00 0.38 C ATOM 1067 C GLY A 68 -1.941 -5.058 -9.841 1.00 0.38 C ATOM 1068 O GLY A 68 -2.133 -6.248 -10.081 1.00 0.47 O ATOM 0 H GLY A 68 -1.651 -2.026 -10.600 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.352 -3.914 -11.599 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.714 -4.529 -11.509 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.079 -4.520 -8.648 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.511 -5.276 -7.501 1.00 0.33 C ATOM 1074 C LYS A 69 -3.908 -4.884 -7.107 1.00 0.24 C ATOM 1075 O LYS A 69 -4.272 -3.707 -7.115 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.598 -5.056 -6.296 1.00 0.41 C ATOM 1077 CG LYS A 69 -0.384 -5.955 -6.260 1.00 0.62 C ATOM 1078 CD LYS A 69 0.760 -5.407 -7.071 1.00 0.58 C ATOM 1079 CE LYS A 69 1.958 -6.319 -6.974 1.00 0.44 C ATOM 1080 NZ LYS A 69 1.746 -7.596 -7.691 1.00 1.21 N ATOM 0 H LYS A 69 -1.892 -3.537 -8.449 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.475 -6.327 -7.788 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.266 -4.018 -6.292 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -2.176 -5.210 -5.385 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.063 -6.086 -5.227 1.00 0.62 H new ATOM 0 HG3 LYS A 69 -0.654 -6.941 -6.638 1.00 0.62 H new ATOM 0 HD2 LYS A 69 0.458 -5.302 -8.113 1.00 0.58 H new ATOM 0 HD3 LYS A 69 1.023 -4.411 -6.714 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.832 -5.814 -7.385 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.173 -6.524 -5.925 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.534 -8.244 -7.487 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 0.853 -8.027 -7.376 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 1.702 -7.416 -8.714 1.00 1.21 H new ATOM 1094 N SER A 70 -4.686 -5.877 -6.791 1.00 0.23 N ATOM 1095 CA SER A 70 -5.951 -5.657 -6.153 1.00 0.21 C ATOM 1096 C SER A 70 -5.925 -6.364 -4.811 1.00 0.23 C ATOM 1097 O SER A 70 -5.351 -7.435 -4.698 1.00 0.31 O ATOM 1098 CB SER A 70 -7.093 -6.154 -7.039 1.00 0.24 C ATOM 1099 OG SER A 70 -6.871 -7.490 -7.470 1.00 1.27 O ATOM 0 H SER A 70 -4.464 -6.857 -6.967 1.00 0.23 H new ATOM 0 HA SER A 70 -6.123 -4.592 -5.995 1.00 0.21 H new ATOM 0 HB2 SER A 70 -8.033 -6.099 -6.489 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.193 -5.502 -7.907 1.00 0.24 H new ATOM 0 HG SER A 70 -6.646 -8.050 -6.698 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.512 -5.773 -3.789 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.252 -6.255 -2.427 1.00 0.21 C ATOM 1107 C LEU A 71 -6.811 -7.646 -2.150 1.00 0.26 C ATOM 1108 O LEU A 71 -7.978 -7.942 -2.422 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.766 -5.289 -1.360 1.00 0.23 C ATOM 1110 CG LEU A 71 -8.227 -5.454 -0.951 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -8.506 -4.648 0.298 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -9.165 -5.035 -2.068 1.00 1.21 C ATOM 0 H LEU A 71 -7.154 -4.983 -3.859 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.165 -6.314 -2.368 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.146 -5.400 -0.470 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.624 -4.271 -1.722 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.405 -6.510 -0.746 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.551 -4.770 0.584 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -7.865 -4.997 1.107 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.304 -3.595 0.104 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.198 -5.165 -1.744 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -8.991 -3.988 -2.315 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.981 -5.651 -2.948 1.00 1.21 H new ATOM 1178 N GLU A 75 -2.252 -11.854 -2.851 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.611 -11.494 -4.205 1.00 0.33 C ATOM 1180 C GLU A 75 -1.463 -11.741 -5.191 1.00 0.30 C ATOM 1181 O GLU A 75 -1.078 -12.885 -5.429 1.00 0.49 O ATOM 1182 CB GLU A 75 -3.077 -10.035 -4.241 1.00 0.38 C ATOM 1183 CG GLU A 75 -3.662 -9.588 -5.578 1.00 0.92 C ATOM 1184 CD GLU A 75 -4.874 -10.394 -6.006 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -4.753 -11.631 -6.144 1.00 2.03 O ATOM 1186 OE2 GLU A 75 -5.955 -9.800 -6.191 1.00 2.49 O ATOM 0 HA GLU A 75 -3.432 -12.136 -4.524 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.827 -9.887 -3.464 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.232 -9.391 -3.995 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -3.940 -8.536 -5.511 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.893 -9.666 -6.347 1.00 0.92 H new ATOM 1193 N THR A 76 -0.918 -10.675 -5.759 1.00 0.27 N ATOM 1194 CA THR A 76 0.025 -10.804 -6.869 1.00 0.26 C ATOM 1195 C THR A 76 1.483 -10.513 -6.474 1.00 0.17 C ATOM 1196 O THR A 76 1.728 -9.775 -5.524 1.00 0.18 O ATOM 1197 CB THR A 76 -0.400 -9.922 -8.056 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.773 -8.623 -7.587 1.00 0.49 O ATOM 1199 CG2 THR A 76 -1.566 -10.550 -8.804 1.00 0.69 C ATOM 0 H THR A 76 -1.109 -9.714 -5.474 1.00 0.27 H new ATOM 0 HA THR A 76 -0.008 -11.851 -7.170 1.00 0.26 H new ATOM 0 HB THR A 76 0.445 -9.834 -8.739 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.041 -8.065 -8.347 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.850 -9.910 -9.639 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.271 -11.529 -9.182 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.414 -10.662 -8.128 1.00 0.69 H new ATOM 1207 N PRO A 77 2.449 -11.113 -7.219 1.00 0.19 N ATOM 1208 CA PRO A 77 3.907 -11.035 -7.003 1.00 0.18 C ATOM 1209 C PRO A 77 4.423 -9.859 -6.161 1.00 0.14 C ATOM 1210 O PRO A 77 4.120 -8.689 -6.422 1.00 0.16 O ATOM 1211 CB PRO A 77 4.410 -10.924 -8.437 1.00 0.30 C ATOM 1212 CG PRO A 77 3.439 -11.733 -9.250 1.00 0.36 C ATOM 1213 CD PRO A 77 2.196 -11.941 -8.405 1.00 0.28 C ATOM 0 HA PRO A 77 4.256 -11.887 -6.419 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.434 -9.886 -8.768 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.424 -11.312 -8.531 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.190 -11.215 -10.176 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.878 -12.691 -9.528 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.295 -11.625 -8.931 1.00 0.28 H new ATOM 0 HD3 PRO A 77 2.060 -12.990 -8.141 1.00 0.28 H new ATOM 1221 N LEU A 78 5.232 -10.220 -5.168 1.00 0.14 N ATOM 1222 CA LEU A 78 5.796 -9.301 -4.177 1.00 0.15 C ATOM 1223 C LEU A 78 6.802 -8.314 -4.769 1.00 0.16 C ATOM 1224 O LEU A 78 6.878 -7.168 -4.342 1.00 0.16 O ATOM 1225 CB LEU A 78 6.445 -10.099 -3.044 1.00 0.19 C ATOM 1226 CG LEU A 78 5.474 -10.934 -2.223 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.091 -12.213 -2.953 1.00 0.22 C ATOM 1228 CD2 LEU A 78 6.061 -11.263 -0.863 1.00 0.24 C ATOM 0 H LEU A 78 5.523 -11.187 -5.025 1.00 0.14 H new ATOM 0 HA LEU A 78 4.969 -8.704 -3.793 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.202 -10.758 -3.469 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.962 -9.407 -2.379 1.00 0.19 H new ATOM 0 HG LEU A 78 4.571 -10.340 -2.079 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.396 -12.788 -2.340 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.616 -11.962 -3.902 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.986 -12.807 -3.141 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.349 -11.861 -0.294 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.985 -11.826 -0.992 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.271 -10.339 -0.324 1.00 0.24 H new ATOM 1240 N SER A 79 7.597 -8.757 -5.725 1.00 0.18 N ATOM 1241 CA SER A 79 8.537 -7.860 -6.390 1.00 0.22 C ATOM 1242 C SER A 79 7.788 -6.692 -7.033 1.00 0.22 C ATOM 1243 O SER A 79 8.245 -5.551 -7.020 1.00 0.24 O ATOM 1244 CB SER A 79 9.354 -8.623 -7.431 1.00 0.27 C ATOM 1245 OG SER A 79 10.055 -9.698 -6.828 1.00 1.17 O ATOM 0 H SER A 79 7.615 -9.721 -6.059 1.00 0.18 H new ATOM 0 HA SER A 79 9.225 -7.457 -5.647 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.694 -9.004 -8.210 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.060 -7.947 -7.913 1.00 0.27 H new ATOM 0 HG SER A 79 10.187 -9.509 -5.876 1.00 1.17 H new ATOM 1251 N ALA A 80 6.622 -6.999 -7.573 1.00 0.20 N ATOM 1252 CA ALA A 80 5.757 -6.010 -8.195 1.00 0.22 C ATOM 1253 C ALA A 80 4.973 -5.211 -7.148 1.00 0.18 C ATOM 1254 O ALA A 80 4.205 -4.317 -7.497 1.00 0.19 O ATOM 1255 CB ALA A 80 4.805 -6.686 -9.172 1.00 0.27 C ATOM 0 H ALA A 80 6.246 -7.947 -7.593 1.00 0.20 H new ATOM 0 HA ALA A 80 6.387 -5.308 -8.741 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.162 -5.935 -9.632 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.379 -7.195 -9.946 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.191 -7.412 -8.639 1.00 0.27 H new ATOM 1261 N LEU A 81 5.166 -5.539 -5.868 1.00 0.14 N ATOM 1262 CA LEU A 81 4.302 -5.059 -4.784 1.00 0.13 C ATOM 1263 C LEU A 81 4.512 -3.567 -4.475 1.00 0.12 C ATOM 1264 O LEU A 81 4.148 -3.110 -3.398 1.00 0.11 O ATOM 1265 CB LEU A 81 4.514 -5.890 -3.504 1.00 0.13 C ATOM 1266 CG LEU A 81 3.251 -6.367 -2.781 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.251 -5.245 -2.606 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.630 -7.528 -3.534 1.00 0.19 C ATOM 0 H LEU A 81 5.924 -6.144 -5.553 1.00 0.14 H new ATOM 0 HA LEU A 81 3.276 -5.182 -5.132 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.111 -6.765 -3.761 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.103 -5.296 -2.805 1.00 0.13 H new ATOM 0 HG LEU A 81 3.538 -6.703 -1.785 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.368 -5.622 -2.089 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.701 -4.445 -2.019 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.962 -4.859 -3.584 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.732 -7.861 -3.013 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.367 -7.209 -4.542 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.344 -8.350 -3.588 1.00 0.19 H new ATOM 1280 N GLY A 82 5.079 -2.789 -5.393 1.00 0.12 N ATOM 1281 CA GLY A 82 5.307 -1.394 -5.070 1.00 0.12 C ATOM 1282 C GLY A 82 6.731 -1.072 -4.712 1.00 0.11 C ATOM 1283 O GLY A 82 6.946 -0.311 -3.772 1.00 0.12 O ATOM 0 H GLY A 82 5.375 -3.086 -6.323 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.010 -0.782 -5.922 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.662 -1.115 -4.237 1.00 0.12 H new ATOM 1287 N MET A 83 7.715 -1.676 -5.398 1.00 0.13 N ATOM 1288 CA MET A 83 9.104 -1.343 -5.095 1.00 0.15 C ATOM 1289 C MET A 83 9.402 0.108 -5.501 1.00 0.15 C ATOM 1290 O MET A 83 9.915 0.415 -6.579 1.00 0.19 O ATOM 1291 CB MET A 83 10.057 -2.313 -5.814 1.00 0.20 C ATOM 1292 CG MET A 83 9.835 -2.426 -7.315 1.00 0.49 C ATOM 1293 SD MET A 83 10.974 -3.586 -8.098 1.00 0.97 S ATOM 1294 CE MET A 83 10.483 -3.434 -9.814 1.00 1.79 C ATOM 0 H MET A 83 7.579 -2.368 -6.135 1.00 0.13 H new ATOM 0 HA MET A 83 9.261 -1.441 -4.021 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.083 -1.992 -5.635 1.00 0.20 H new ATOM 0 HB3 MET A 83 9.950 -3.302 -5.369 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.810 -2.745 -7.504 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.952 -1.443 -7.771 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.098 -4.092 -10.428 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.435 -3.714 -9.919 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.617 -2.403 -10.141 1.00 1.79 H new ATOM 1304 N GLN A 84 9.030 0.973 -4.586 1.00 0.14 N ATOM 1305 CA GLN A 84 9.334 2.382 -4.542 1.00 0.15 C ATOM 1306 C GLN A 84 8.912 2.765 -3.153 1.00 0.16 C ATOM 1307 O GLN A 84 8.431 1.877 -2.459 1.00 0.16 O ATOM 1308 CB GLN A 84 8.602 3.183 -5.617 1.00 0.16 C ATOM 1309 CG GLN A 84 7.161 2.764 -5.828 1.00 0.61 C ATOM 1310 CD GLN A 84 6.532 3.464 -7.009 1.00 1.08 C ATOM 1311 OE1 GLN A 84 6.547 2.964 -8.130 1.00 1.79 O ATOM 1312 NE2 GLN A 84 5.982 4.637 -6.767 1.00 1.61 N ATOM 0 H GLN A 84 8.461 0.685 -3.790 1.00 0.14 H new ATOM 0 HA GLN A 84 10.383 2.595 -4.748 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.626 4.239 -5.348 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.140 3.082 -6.560 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.116 1.686 -5.981 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.585 2.983 -4.929 1.00 0.61 H new ATOM 0 HE21 GLN A 84 5.990 5.019 -5.821 1.00 1.61 H new ATOM 0 HE22 GLN A 84 5.548 5.163 -7.526 1.00 1.61 H new ATOM 1321 N ASN A 85 9.076 3.991 -2.678 1.00 0.17 N ATOM 1322 CA ASN A 85 8.526 4.256 -1.353 1.00 0.17 C ATOM 1323 C ASN A 85 7.030 3.979 -1.407 1.00 0.16 C ATOM 1324 O ASN A 85 6.287 4.745 -1.969 1.00 0.18 O ATOM 1325 CB ASN A 85 8.763 5.706 -0.882 1.00 0.19 C ATOM 1326 CG ASN A 85 8.212 6.749 -1.838 1.00 0.28 C ATOM 1327 OD1 ASN A 85 8.206 6.558 -3.052 1.00 1.22 O ATOM 1328 ND2 ASN A 85 7.744 7.861 -1.294 1.00 0.99 N ATOM 0 H ASN A 85 9.547 4.766 -3.145 1.00 0.17 H new ATOM 0 HA ASN A 85 9.033 3.610 -0.637 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.303 5.842 0.097 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.833 5.869 -0.756 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.361 8.597 -1.887 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.767 7.982 -0.281 1.00 0.99 H new ATOM 1335 N GLY A 86 6.625 2.883 -0.786 1.00 0.15 N ATOM 1336 CA GLY A 86 5.230 2.468 -0.682 1.00 0.14 C ATOM 1337 C GLY A 86 4.457 2.310 -2.004 1.00 0.12 C ATOM 1338 O GLY A 86 3.545 1.487 -2.080 1.00 0.13 O ATOM 0 H GLY A 86 7.271 2.240 -0.328 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.196 1.516 -0.152 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.703 3.195 -0.064 1.00 0.14 H new ATOM 1342 N CYS A 87 4.845 3.055 -3.042 1.00 0.11 N ATOM 1343 CA CYS A 87 4.120 3.116 -4.310 1.00 0.12 C ATOM 1344 C CYS A 87 2.747 3.762 -4.119 1.00 0.12 C ATOM 1345 O CYS A 87 2.588 4.707 -3.342 1.00 0.17 O ATOM 1346 CB CYS A 87 3.959 1.724 -4.892 1.00 0.23 C ATOM 1347 SG CYS A 87 3.587 1.685 -6.662 1.00 0.94 S ATOM 0 H CYS A 87 5.681 3.639 -3.024 1.00 0.11 H new ATOM 0 HA CYS A 87 4.698 3.727 -5.003 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.876 1.162 -4.715 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.161 1.210 -4.355 1.00 0.23 H new ATOM 0 HG CYS A 87 2.369 1.266 -6.840 1.00 0.94 H new ATOM 1353 N ARG A 88 1.760 3.266 -4.851 1.00 0.12 N ATOM 1354 CA ARG A 88 0.397 3.740 -4.719 1.00 0.13 C ATOM 1355 C ARG A 88 -0.527 2.554 -4.476 1.00 0.12 C ATOM 1356 O ARG A 88 -0.225 1.439 -4.898 1.00 0.15 O ATOM 1357 CB ARG A 88 -0.071 4.477 -5.978 1.00 0.19 C ATOM 1358 CG ARG A 88 0.888 5.523 -6.535 1.00 0.82 C ATOM 1359 CD ARG A 88 1.899 4.914 -7.501 1.00 0.41 C ATOM 1360 NE ARG A 88 2.354 5.890 -8.490 1.00 0.90 N ATOM 1361 CZ ARG A 88 3.423 5.734 -9.268 1.00 1.29 C ATOM 1362 NH1 ARG A 88 4.176 4.642 -9.173 1.00 1.26 N ATOM 1363 NH2 ARG A 88 3.728 6.670 -10.157 1.00 2.07 N ATOM 0 H ARG A 88 1.883 2.530 -5.546 1.00 0.12 H new ATOM 0 HA ARG A 88 0.365 4.436 -3.880 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.264 3.739 -6.756 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -1.021 4.964 -5.758 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.320 6.300 -7.047 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.417 6.005 -5.713 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.755 4.536 -6.942 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.449 4.062 -8.010 1.00 0.41 H new ATOM 0 HE ARG A 88 1.815 6.750 -8.591 1.00 0.90 H new ATOM 0 HH11 ARG A 88 3.937 3.914 -8.499 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.993 4.532 -9.774 1.00 1.26 H new ATOM 0 HH21 ARG A 88 3.145 7.503 -10.241 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.546 6.557 -10.756 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.621 2.801 -3.762 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.701 1.833 -3.557 1.00 0.11 C ATOM 1379 C VAL A 89 -4.000 2.578 -3.330 1.00 0.11 C ATOM 1380 O VAL A 89 -4.168 3.254 -2.315 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.465 0.898 -2.350 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.473 -0.196 -2.677 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.002 1.687 -1.144 1.00 0.18 C ATOM 0 H VAL A 89 -1.788 3.695 -3.300 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.738 1.213 -4.453 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.417 0.423 -2.114 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.333 -0.833 -1.804 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.851 -0.794 -3.506 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.519 0.250 -2.957 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.842 1.009 -0.305 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.069 2.199 -1.380 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.761 2.422 -0.877 1.00 0.18 H new ATOM 1393 N MET A 90 -4.923 2.501 -4.258 1.00 0.11 N ATOM 1394 CA MET A 90 -6.178 3.190 -4.028 1.00 0.12 C ATOM 1395 C MET A 90 -7.366 2.265 -4.079 1.00 0.12 C ATOM 1396 O MET A 90 -7.516 1.449 -4.984 1.00 0.13 O ATOM 1397 CB MET A 90 -6.363 4.413 -4.904 1.00 0.16 C ATOM 1398 CG MET A 90 -7.327 4.232 -6.061 1.00 0.68 C ATOM 1399 SD MET A 90 -7.531 5.735 -7.037 1.00 1.30 S ATOM 1400 CE MET A 90 -8.744 5.195 -8.235 1.00 1.92 C ATOM 0 H MET A 90 -4.843 1.995 -5.140 1.00 0.11 H new ATOM 0 HA MET A 90 -6.118 3.564 -3.006 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.715 5.237 -4.283 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.392 4.707 -5.302 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.968 3.430 -6.706 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.297 3.920 -5.675 1.00 0.68 H new ATOM 0 HE1 MET A 90 -8.976 6.016 -8.913 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.344 4.356 -8.804 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.652 4.884 -7.718 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.191 2.393 -3.075 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.350 1.560 -2.929 1.00 0.12 C ATOM 1412 C LEU A 91 -10.601 2.330 -3.272 1.00 0.14 C ATOM 1413 O LEU A 91 -10.792 3.472 -2.845 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.435 0.937 -1.521 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.623 1.861 -0.288 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.715 3.075 -0.326 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.077 2.284 -0.114 1.00 0.14 C ATOM 0 H LEU A 91 -8.076 3.082 -2.332 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.258 0.732 -3.632 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.262 0.227 -1.527 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.523 0.362 -1.362 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.335 1.267 0.580 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -8.888 3.687 0.560 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.675 2.751 -0.346 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -8.929 3.662 -1.219 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.166 2.930 0.760 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.407 2.826 -1.001 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.699 1.400 0.023 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.435 1.725 -4.080 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.695 2.328 -4.398 1.00 0.23 C ATOM 1431 C ILE A 92 -13.802 1.632 -3.642 1.00 0.23 C ATOM 1432 O ILE A 92 -14.086 0.453 -3.851 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.983 2.300 -5.914 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.811 2.915 -6.686 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.276 3.047 -6.222 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -11.938 2.791 -8.189 1.00 0.51 C ATOM 0 H ILE A 92 -11.262 0.823 -4.524 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.649 3.374 -4.096 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.101 1.263 -6.229 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.728 3.970 -6.423 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.886 2.434 -6.368 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.466 3.019 -7.295 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.104 2.574 -5.694 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.184 4.083 -5.897 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.072 3.249 -8.666 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.989 1.738 -8.464 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.845 3.297 -8.521 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.396 2.369 -2.733 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.495 1.850 -1.965 1.00 0.28 C ATOM 1450 C GLY A 93 -15.680 2.611 -0.679 1.00 0.30 C ATOM 1451 O GLY A 93 -16.073 3.776 -0.691 1.00 0.45 O ATOM 0 H GLY A 93 -14.134 3.329 -2.510 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.410 1.904 -2.555 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.320 0.797 -1.744 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.364 1.969 0.429 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.589 2.554 1.734 1.00 0.26 C ATOM 1457 C GLU A 94 -14.350 2.430 2.604 1.00 0.24 C ATOM 1458 O GLU A 94 -13.952 1.327 2.966 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.754 1.841 2.415 1.00 0.32 C ATOM 1460 CG GLU A 94 -18.063 1.943 1.656 1.00 0.98 C ATOM 1461 CD GLU A 94 -19.097 0.959 2.154 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -19.834 1.293 3.104 1.00 2.17 O ATOM 1463 OE2 GLU A 94 -19.172 -0.159 1.598 1.00 2.02 O ATOM 0 H GLU A 94 -14.949 1.038 0.450 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.820 3.611 1.604 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.500 0.789 2.542 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.890 2.258 3.413 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.455 2.956 1.748 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -17.880 1.768 0.596 1.00 0.98 H new ATOM 1470 N LYS A 95 -13.734 3.557 2.931 1.00 0.25 N ATOM 1471 CA LYS A 95 -12.682 3.567 3.931 1.00 0.26 C ATOM 1472 C LYS A 95 -13.329 3.598 5.313 1.00 0.39 C ATOM 1473 O LYS A 95 -13.431 4.646 5.949 1.00 0.48 O ATOM 1474 CB LYS A 95 -11.735 4.762 3.733 1.00 0.28 C ATOM 1475 CG LYS A 95 -10.594 4.507 2.746 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.585 5.652 2.755 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.373 5.381 1.867 1.00 0.35 C ATOM 1478 NZ LYS A 95 -7.420 6.522 1.879 1.00 1.19 N ATOM 0 H LYS A 95 -13.943 4.467 2.521 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.075 2.667 3.831 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.316 5.617 3.386 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.310 5.037 4.698 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.091 3.574 3.002 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.000 4.385 1.742 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.077 6.566 2.421 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.249 5.826 3.777 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.866 4.479 2.208 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.704 5.193 0.846 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.450 6.165 1.763 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.646 7.171 1.098 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.497 7.029 2.784 1.00 1.19 H new