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 9 GLN : amide:sc= -0.769 K(o=-3.8,f=-12!) USER MOD Set 1.2: A 85 ASN : amide:sc= -3.01 K(o=-3.8,f=-5.5!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -171:sc= 0.869 (180deg=0.475) USER MOD Set 2.2: A 76 THR OG1 : rot -82:sc= 0.654 USER MOD Set 3.1: A 45 GLN : amide:sc= -1.59! K(o=-2.1!,f=-0.58) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.512 K(o=-2.1,f=-1.4) USER MOD Set 4.1: A 7 MET CE :methyl 163:sc= -0.0306 (180deg=-0.352) USER MOD Set 4.2: A 39 ASN : amide:sc= -2.23 K(o=-1.2,f=-10!) USER MOD Set 4.3: A 40 SER OG : rot 23:sc= 1.06 USER MOD Single : A 10 THR OG1 : rot -169:sc= -3.19! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 160:sc= -1.63 USER MOD Single : A 19 SER OG : rot 163:sc= 1.18 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 1.25 K(o=1.2,f=-4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.225 USER MOD Single : A 36 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.27) USER MOD Single : A 37 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.87) USER MOD Single : A 55 THR OG1 : rot -14:sc= 0.245 USER MOD Single : A 62 GLN : amide:sc= -5.96! K(o=-6!,f=-4.4) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc= 0.694 (180deg=-0.168) USER MOD Single : A 67 LYS NZ :NH3+ -153:sc= 2.17 (180deg=1.41) USER MOD Single : A 70 SER OG : rot 21:sc= 0.0256 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.4!) USER MOD Single : A 87 CYS SG : rot 150:sc= -1.28! USER MOD Single : A 90 MET CE :methyl -125:sc= -0.032 (180deg=-2!) USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= -5.12! (180deg=-5.14!) USER MOD ----------------------------------------------------------------- ATOM 95 N MET A 7 11.800 6.133 -2.165 1.00 0.32 N ATOM 96 CA MET A 7 12.241 5.088 -1.241 1.00 0.29 C ATOM 97 C MET A 7 12.909 5.641 0.019 1.00 0.34 C ATOM 98 O MET A 7 13.952 5.141 0.424 1.00 0.70 O ATOM 99 CB MET A 7 13.169 4.078 -1.928 1.00 0.35 C ATOM 100 CG MET A 7 12.454 2.815 -2.374 1.00 0.30 C ATOM 101 SD MET A 7 13.557 1.617 -3.148 1.00 0.45 S ATOM 102 CE MET A 7 14.530 1.101 -1.734 1.00 1.60 C ATOM 0 HA MET A 7 11.332 4.575 -0.927 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.632 4.551 -2.794 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.974 3.810 -1.243 1.00 0.35 H new ATOM 0 HG2 MET A 7 11.972 2.353 -1.512 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.664 3.080 -3.077 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.041 0.166 -1.965 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.267 1.869 -1.500 1.00 1.60 H new ATOM 0 HE3 MET A 7 13.875 0.953 -0.876 1.00 1.60 H new ATOM 112 N VAL A 8 12.307 6.677 0.615 1.00 0.31 N ATOM 113 CA VAL A 8 12.708 7.189 1.939 1.00 0.30 C ATOM 114 C VAL A 8 11.668 8.174 2.475 1.00 0.31 C ATOM 115 O VAL A 8 11.964 9.350 2.674 1.00 0.46 O ATOM 116 CB VAL A 8 14.093 7.897 1.953 1.00 0.39 C ATOM 117 CG1 VAL A 8 15.207 6.936 2.346 1.00 1.50 C ATOM 118 CG2 VAL A 8 14.396 8.551 0.610 1.00 1.12 C ATOM 0 H VAL A 8 11.528 7.186 0.197 1.00 0.31 H new ATOM 0 HA VAL A 8 12.780 6.304 2.572 1.00 0.30 H new ATOM 0 HB VAL A 8 14.045 8.682 2.708 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.160 7.464 2.345 1.00 1.50 H new ATOM 0 HG12 VAL A 8 15.012 6.541 3.343 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.247 6.114 1.631 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.371 9.037 0.654 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.404 7.791 -0.171 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.630 9.294 0.386 1.00 1.12 H new ATOM 128 N GLN A 9 10.444 7.698 2.714 1.00 0.23 N ATOM 129 CA GLN A 9 9.385 8.577 3.194 1.00 0.24 C ATOM 130 C GLN A 9 8.893 8.182 4.596 1.00 0.26 C ATOM 131 O GLN A 9 8.987 8.983 5.525 1.00 0.38 O ATOM 132 CB GLN A 9 8.237 8.624 2.183 1.00 0.26 C ATOM 133 CG GLN A 9 8.465 9.617 1.043 1.00 0.31 C ATOM 134 CD GLN A 9 9.704 9.324 0.212 1.00 1.15 C ATOM 135 OE1 GLN A 9 10.057 8.168 -0.015 1.00 1.97 O ATOM 136 NE2 GLN A 9 10.387 10.365 -0.221 1.00 1.86 N ATOM 0 H GLN A 9 10.168 6.725 2.585 1.00 0.23 H new ATOM 0 HA GLN A 9 9.801 9.580 3.288 1.00 0.24 H new ATOM 0 HB2 GLN A 9 8.093 7.629 1.763 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.316 8.887 2.704 1.00 0.26 H new ATOM 0 HG2 GLN A 9 7.592 9.613 0.390 1.00 0.31 H new ATOM 0 HG3 GLN A 9 8.547 10.621 1.459 1.00 0.31 H new ATOM 0 HE21 GLN A 9 10.063 11.310 -0.013 1.00 1.86 H new ATOM 0 HE22 GLN A 9 11.239 10.226 -0.764 1.00 1.86 H new ATOM 145 N THR A 10 8.394 6.956 4.761 1.00 0.21 N ATOM 146 CA THR A 10 7.933 6.494 6.076 1.00 0.21 C ATOM 147 C THR A 10 8.726 5.265 6.536 1.00 0.21 C ATOM 148 O THR A 10 8.542 4.167 6.012 1.00 0.21 O ATOM 149 CB THR A 10 6.428 6.157 6.057 1.00 0.23 C ATOM 150 OG1 THR A 10 5.691 7.266 5.518 1.00 0.26 O ATOM 151 CG2 THR A 10 5.922 5.848 7.458 1.00 0.28 C ATOM 0 H THR A 10 8.298 6.270 4.012 1.00 0.21 H new ATOM 0 HA THR A 10 8.100 7.310 6.779 1.00 0.21 H new ATOM 0 HB THR A 10 6.282 5.276 5.432 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.733 7.124 5.665 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.858 5.614 7.417 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.466 4.994 7.861 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.078 6.714 8.101 1.00 0.28 H new ATOM 159 N GLU A 11 9.627 5.466 7.491 1.00 0.25 N ATOM 160 CA GLU A 11 10.508 4.398 7.961 1.00 0.28 C ATOM 161 C GLU A 11 9.837 3.497 9.004 1.00 0.25 C ATOM 162 O GLU A 11 8.873 3.884 9.665 1.00 0.40 O ATOM 163 CB GLU A 11 11.799 4.991 8.532 1.00 0.45 C ATOM 164 CG GLU A 11 12.904 3.965 8.728 1.00 0.47 C ATOM 165 CD GLU A 11 14.209 4.581 9.173 1.00 0.70 C ATOM 166 OE1 GLU A 11 14.408 4.736 10.396 1.00 1.50 O ATOM 167 OE2 GLU A 11 15.036 4.926 8.305 1.00 1.15 O ATOM 0 H GLU A 11 9.768 6.362 7.958 1.00 0.25 H new ATOM 0 HA GLU A 11 10.740 3.773 7.098 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.156 5.774 7.864 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.580 5.464 9.489 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.584 3.231 9.468 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.063 3.427 7.793 1.00 0.47 H new ATOM 174 N GLU A 12 10.380 2.290 9.112 1.00 0.31 N ATOM 175 CA GLU A 12 9.931 1.259 10.037 1.00 0.31 C ATOM 176 C GLU A 12 11.094 0.274 10.190 1.00 0.33 C ATOM 177 O GLU A 12 12.131 0.465 9.548 1.00 0.50 O ATOM 178 CB GLU A 12 8.665 0.576 9.488 1.00 0.38 C ATOM 179 CG GLU A 12 8.075 -0.530 10.353 1.00 0.56 C ATOM 180 CD GLU A 12 7.799 -0.090 11.773 1.00 0.89 C ATOM 181 OE1 GLU A 12 6.776 0.585 12.007 1.00 1.56 O ATOM 182 OE2 GLU A 12 8.600 -0.444 12.665 1.00 1.37 O ATOM 0 H GLU A 12 11.170 1.994 8.539 1.00 0.31 H new ATOM 0 HA GLU A 12 9.663 1.672 11.010 1.00 0.31 H new ATOM 0 HB2 GLU A 12 7.901 1.339 9.337 1.00 0.38 H new ATOM 0 HB3 GLU A 12 8.897 0.159 8.508 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.147 -0.881 9.901 1.00 0.56 H new ATOM 0 HG3 GLU A 12 8.762 -1.376 10.368 1.00 0.56 H new ATOM 189 N MET A 13 10.950 -0.760 11.007 1.00 0.38 N ATOM 190 CA MET A 13 12.078 -1.630 11.323 1.00 0.46 C ATOM 191 C MET A 13 12.710 -2.292 10.095 1.00 0.40 C ATOM 192 O MET A 13 13.935 -2.375 10.019 1.00 0.49 O ATOM 193 CB MET A 13 11.681 -2.681 12.350 1.00 0.61 C ATOM 194 CG MET A 13 11.385 -2.081 13.711 1.00 0.92 C ATOM 195 SD MET A 13 12.742 -1.053 14.307 1.00 1.76 S ATOM 196 CE MET A 13 12.022 -0.375 15.798 1.00 2.64 C ATOM 0 H MET A 13 10.073 -1.017 11.460 1.00 0.38 H new ATOM 0 HA MET A 13 12.844 -0.981 11.747 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.802 -3.218 11.994 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.484 -3.412 12.446 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.476 -1.483 13.653 1.00 0.92 H new ATOM 0 HG3 MET A 13 11.195 -2.881 14.426 1.00 0.92 H new ATOM 0 HE1 MET A 13 12.742 0.284 16.282 1.00 2.64 H new ATOM 0 HE2 MET A 13 11.125 0.191 15.544 1.00 2.64 H new ATOM 0 HE3 MET A 13 11.759 -1.186 16.477 1.00 2.64 H new ATOM 206 N GLU A 14 11.921 -2.747 9.122 1.00 0.30 N ATOM 207 CA GLU A 14 12.530 -3.298 7.914 1.00 0.28 C ATOM 208 C GLU A 14 12.386 -2.361 6.724 1.00 0.31 C ATOM 209 O GLU A 14 13.212 -2.388 5.816 1.00 0.61 O ATOM 210 CB GLU A 14 11.922 -4.670 7.581 1.00 0.33 C ATOM 211 CG GLU A 14 12.250 -5.180 6.177 1.00 0.45 C ATOM 212 CD GLU A 14 11.117 -4.972 5.196 1.00 0.86 C ATOM 213 OE1 GLU A 14 10.546 -3.872 5.152 1.00 1.19 O ATOM 214 OE2 GLU A 14 10.776 -5.933 4.485 1.00 1.33 O ATOM 0 H GLU A 14 10.901 -2.747 9.142 1.00 0.30 H new ATOM 0 HA GLU A 14 13.595 -3.416 8.116 1.00 0.28 H new ATOM 0 HB2 GLU A 14 12.276 -5.398 8.311 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.839 -4.610 7.689 1.00 0.33 H new ATOM 0 HG2 GLU A 14 13.140 -4.670 5.809 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.489 -6.242 6.228 1.00 0.45 H new ATOM 221 N THR A 15 11.406 -1.469 6.775 1.00 0.20 N ATOM 222 CA THR A 15 11.069 -0.667 5.606 1.00 0.18 C ATOM 223 C THR A 15 12.183 0.310 5.305 1.00 0.21 C ATOM 224 O THR A 15 12.825 0.836 6.219 1.00 0.30 O ATOM 225 CB THR A 15 9.741 0.100 5.775 1.00 0.23 C ATOM 226 OG1 THR A 15 9.886 1.135 6.740 1.00 1.04 O ATOM 227 CG2 THR A 15 8.631 -0.839 6.206 1.00 0.90 C ATOM 0 H THR A 15 10.837 -1.284 7.601 1.00 0.20 H new ATOM 0 HA THR A 15 10.944 -1.359 4.774 1.00 0.18 H new ATOM 0 HB THR A 15 9.481 0.539 4.812 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.177 1.800 6.615 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.703 -0.278 6.319 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.496 -1.614 5.451 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.894 -1.301 7.157 1.00 0.90 H new ATOM 235 N PRO A 16 12.430 0.578 4.025 1.00 0.21 N ATOM 236 CA PRO A 16 13.494 1.458 3.612 1.00 0.24 C ATOM 237 C PRO A 16 12.972 2.875 3.589 1.00 0.21 C ATOM 238 O PRO A 16 13.266 3.660 2.693 1.00 0.22 O ATOM 239 CB PRO A 16 13.834 0.930 2.225 1.00 0.28 C ATOM 240 CG PRO A 16 12.548 0.404 1.685 1.00 0.26 C ATOM 241 CD PRO A 16 11.646 0.107 2.867 1.00 0.19 C ATOM 0 HA PRO A 16 14.369 1.477 4.262 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.235 1.720 1.590 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.590 0.147 2.276 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.083 1.134 1.022 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.719 -0.498 1.097 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.694 0.631 2.787 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.419 -0.957 2.942 1.00 0.19 H new ATOM 249 N ARG A 17 12.168 3.161 4.616 1.00 0.21 N ATOM 250 CA ARG A 17 11.391 4.375 4.698 1.00 0.21 C ATOM 251 C ARG A 17 10.474 4.445 3.484 1.00 0.19 C ATOM 252 O ARG A 17 10.704 5.189 2.549 1.00 0.28 O ATOM 253 CB ARG A 17 12.312 5.595 4.800 1.00 0.26 C ATOM 254 CG ARG A 17 11.700 6.750 5.566 1.00 0.39 C ATOM 255 CD ARG A 17 12.669 7.901 5.738 1.00 0.37 C ATOM 256 NE ARG A 17 12.141 8.914 6.651 1.00 1.13 N ATOM 257 CZ ARG A 17 12.813 9.399 7.698 1.00 1.48 C ATOM 258 NH1 ARG A 17 14.045 8.979 7.953 1.00 1.46 N ATOM 259 NH2 ARG A 17 12.251 10.299 8.492 1.00 2.42 N ATOM 0 H ARG A 17 12.045 2.542 5.417 1.00 0.21 H new ATOM 0 HA ARG A 17 10.777 4.373 5.598 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.242 5.299 5.286 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.570 5.931 3.796 1.00 0.26 H new ATOM 0 HG2 ARG A 17 10.811 7.101 5.042 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.375 6.402 6.546 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.618 7.525 6.120 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.873 8.355 4.768 1.00 0.37 H new ATOM 0 HE ARG A 17 11.202 9.272 6.477 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.482 8.283 7.348 1.00 1.46 H new ATOM 0 HH12 ARG A 17 14.555 9.352 8.754 1.00 1.46 H new ATOM 0 HH21 ARG A 17 11.302 10.623 8.304 1.00 2.42 H new ATOM 0 HH22 ARG A 17 12.767 10.667 9.291 1.00 2.42 H new ATOM 273 N LEU A 18 9.447 3.622 3.479 1.00 0.16 N ATOM 274 CA LEU A 18 8.558 3.555 2.333 1.00 0.14 C ATOM 275 C LEU A 18 7.122 3.950 2.666 1.00 0.13 C ATOM 276 O LEU A 18 6.461 3.318 3.493 1.00 0.15 O ATOM 277 CB LEU A 18 8.567 2.160 1.757 1.00 0.19 C ATOM 278 CG LEU A 18 9.322 1.992 0.443 1.00 0.23 C ATOM 279 CD1 LEU A 18 10.689 2.639 0.518 1.00 0.25 C ATOM 280 CD2 LEU A 18 9.431 0.523 0.077 1.00 0.27 C ATOM 0 H LEU A 18 9.206 2.995 4.246 1.00 0.16 H new ATOM 0 HA LEU A 18 8.933 4.275 1.606 1.00 0.14 H new ATOM 0 HB2 LEU A 18 9.003 1.485 2.494 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.535 1.843 1.605 1.00 0.19 H new ATOM 0 HG LEU A 18 8.760 2.497 -0.343 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.207 2.505 -0.431 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.577 3.704 0.723 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.268 2.174 1.316 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.973 0.422 -0.863 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.966 -0.009 0.863 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.432 0.100 -0.032 1.00 0.27 H new ATOM 292 N SER A 19 6.647 4.970 1.965 1.00 0.16 N ATOM 293 CA SER A 19 5.309 5.498 2.151 1.00 0.16 C ATOM 294 C SER A 19 4.485 5.400 0.873 1.00 0.14 C ATOM 295 O SER A 19 4.885 5.887 -0.180 1.00 0.18 O ATOM 296 CB SER A 19 5.393 6.948 2.582 1.00 0.23 C ATOM 297 OG SER A 19 4.208 7.647 2.256 1.00 0.67 O ATOM 0 H SER A 19 7.185 5.455 1.247 1.00 0.16 H new ATOM 0 HA SER A 19 4.817 4.902 2.920 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.566 7.001 3.657 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.245 7.425 2.098 1.00 0.23 H new ATOM 0 HG SER A 19 4.170 8.482 2.767 1.00 0.67 H new ATOM 303 N VAL A 20 3.318 4.812 1.004 1.00 0.14 N ATOM 304 CA VAL A 20 2.407 4.587 -0.101 1.00 0.14 C ATOM 305 C VAL A 20 1.261 5.590 -0.063 1.00 0.13 C ATOM 306 O VAL A 20 0.916 6.135 0.995 1.00 0.14 O ATOM 307 CB VAL A 20 1.816 3.163 -0.051 1.00 0.19 C ATOM 308 CG1 VAL A 20 0.891 3.020 1.130 1.00 0.89 C ATOM 309 CG2 VAL A 20 1.074 2.817 -1.326 1.00 0.85 C ATOM 0 H VAL A 20 2.966 4.469 1.898 1.00 0.14 H new ATOM 0 HA VAL A 20 2.977 4.710 -1.022 1.00 0.14 H new ATOM 0 HB VAL A 20 2.650 2.469 0.053 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.482 2.010 1.152 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.444 3.207 2.050 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.077 3.739 1.044 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.673 1.806 -1.251 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.256 3.522 -1.474 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.759 2.874 -2.172 1.00 0.85 H new ATOM 319 N ILE A 21 0.691 5.831 -1.229 1.00 0.16 N ATOM 320 CA ILE A 21 -0.462 6.703 -1.373 1.00 0.18 C ATOM 321 C ILE A 21 -1.714 5.866 -1.348 1.00 0.16 C ATOM 322 O ILE A 21 -1.958 5.077 -2.256 1.00 0.20 O ATOM 323 CB ILE A 21 -0.397 7.423 -2.726 1.00 0.28 C ATOM 324 CG1 ILE A 21 1.055 7.738 -3.067 1.00 0.23 C ATOM 325 CG2 ILE A 21 -1.235 8.690 -2.694 1.00 0.50 C ATOM 326 CD1 ILE A 21 1.271 8.081 -4.526 1.00 0.73 C ATOM 0 H ILE A 21 1.015 5.426 -2.107 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.467 7.430 -0.561 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.805 6.773 -3.500 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.392 8.572 -2.452 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.675 6.880 -2.808 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.178 9.189 -3.662 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.272 8.435 -2.478 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.857 9.357 -1.919 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.326 8.294 -4.697 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.965 7.239 -5.147 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.677 8.958 -4.785 1.00 0.73 H new ATOM 338 N VAL A 22 -2.501 6.040 -0.307 1.00 0.14 N ATOM 339 CA VAL A 22 -3.771 5.369 -0.218 1.00 0.13 C ATOM 340 C VAL A 22 -4.868 6.378 -0.417 1.00 0.13 C ATOM 341 O VAL A 22 -4.971 7.350 0.329 1.00 0.20 O ATOM 342 CB VAL A 22 -3.974 4.655 1.122 1.00 0.15 C ATOM 343 CG1 VAL A 22 -5.208 3.776 1.055 1.00 0.16 C ATOM 344 CG2 VAL A 22 -2.746 3.841 1.484 1.00 0.20 C ATOM 0 H VAL A 22 -2.280 6.641 0.487 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.794 4.604 -0.994 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.121 5.401 1.903 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.347 3.271 2.011 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -6.082 4.391 0.839 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.083 3.033 0.267 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.909 3.341 2.439 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.563 3.095 0.711 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.882 4.501 1.563 1.00 0.20 H new ATOM 354 N THR A 23 -5.668 6.155 -1.425 1.00 0.15 N ATOM 355 CA THR A 23 -6.664 7.118 -1.808 1.00 0.18 C ATOM 356 C THR A 23 -8.038 6.471 -1.987 1.00 0.15 C ATOM 357 O THR A 23 -8.166 5.378 -2.536 1.00 0.16 O ATOM 358 CB THR A 23 -6.197 7.857 -3.084 1.00 0.33 C ATOM 359 OG1 THR A 23 -5.215 8.842 -2.733 1.00 1.21 O ATOM 360 CG2 THR A 23 -7.353 8.521 -3.822 1.00 0.87 C ATOM 0 H THR A 23 -5.649 5.311 -1.998 1.00 0.15 H new ATOM 0 HA THR A 23 -6.778 7.848 -1.007 1.00 0.18 H new ATOM 0 HB THR A 23 -5.765 7.116 -3.757 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.917 9.310 -3.541 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.975 9.027 -4.710 1.00 0.87 H new ATOM 0 HG22 THR A 23 -8.079 7.764 -4.117 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.833 9.248 -3.167 1.00 0.87 H new ATOM 368 N HIS A 24 -9.049 7.131 -1.445 1.00 0.20 N ATOM 369 CA HIS A 24 -10.434 6.750 -1.645 1.00 0.24 C ATOM 370 C HIS A 24 -11.174 7.954 -2.203 1.00 0.34 C ATOM 371 O HIS A 24 -11.422 8.916 -1.482 1.00 0.38 O ATOM 372 CB HIS A 24 -11.032 6.299 -0.301 1.00 0.31 C ATOM 373 CG HIS A 24 -12.531 6.235 -0.254 1.00 0.47 C ATOM 374 ND1 HIS A 24 -13.278 6.960 0.645 1.00 1.20 N ATOM 375 CD2 HIS A 24 -13.416 5.512 -0.978 1.00 1.13 C ATOM 376 CE1 HIS A 24 -14.558 6.691 0.469 1.00 1.08 C ATOM 377 NE2 HIS A 24 -14.672 5.813 -0.513 1.00 0.96 N ATOM 0 H HIS A 24 -8.929 7.951 -0.850 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.520 5.920 -2.346 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.635 5.313 -0.058 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.689 6.981 0.477 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.901 7.605 1.340 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.178 4.824 -1.776 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.375 7.117 1.032 1.00 1.08 H new ATOM 386 N SER A 25 -11.526 7.874 -3.483 1.00 0.41 N ATOM 387 CA SER A 25 -12.121 8.999 -4.226 1.00 0.55 C ATOM 388 C SER A 25 -11.116 10.156 -4.385 1.00 0.60 C ATOM 389 O SER A 25 -10.897 10.662 -5.485 1.00 0.99 O ATOM 390 CB SER A 25 -13.402 9.494 -3.538 1.00 0.63 C ATOM 391 OG SER A 25 -14.049 10.496 -4.303 1.00 1.17 O ATOM 0 H SER A 25 -11.410 7.029 -4.042 1.00 0.41 H new ATOM 0 HA SER A 25 -12.381 8.636 -5.220 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.082 8.656 -3.386 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.157 9.889 -2.552 1.00 0.63 H new ATOM 0 HG SER A 25 -14.861 10.789 -3.839 1.00 1.17 H new ATOM 397 N ASN A 26 -10.496 10.539 -3.278 1.00 0.44 N ATOM 398 CA ASN A 26 -9.541 11.640 -3.231 1.00 0.50 C ATOM 399 C ASN A 26 -8.857 11.622 -1.866 1.00 0.43 C ATOM 400 O ASN A 26 -7.710 12.041 -1.716 1.00 0.47 O ATOM 401 CB ASN A 26 -10.255 12.981 -3.453 1.00 0.65 C ATOM 402 CG ASN A 26 -9.293 14.139 -3.629 1.00 1.42 C ATOM 403 OD1 ASN A 26 -8.888 14.780 -2.660 1.00 2.19 O ATOM 404 ND2 ASN A 26 -8.938 14.430 -4.870 1.00 2.02 N ATOM 0 H ASN A 26 -10.643 10.089 -2.375 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.800 11.522 -4.022 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -10.891 12.907 -4.335 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.909 13.184 -2.605 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.306 15.210 -5.050 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.296 13.874 -5.647 1.00 2.02 H new ATOM 411 N GLU A 27 -9.609 11.120 -0.888 1.00 0.41 N ATOM 412 CA GLU A 27 -9.145 10.883 0.477 1.00 0.42 C ATOM 413 C GLU A 27 -7.778 10.195 0.500 1.00 0.37 C ATOM 414 O GLU A 27 -7.658 9.011 0.195 1.00 0.49 O ATOM 415 CB GLU A 27 -10.200 10.027 1.173 1.00 0.50 C ATOM 416 CG GLU A 27 -9.884 9.615 2.596 1.00 0.58 C ATOM 417 CD GLU A 27 -10.934 8.672 3.154 1.00 1.21 C ATOM 418 OE1 GLU A 27 -12.002 8.531 2.531 1.00 1.58 O ATOM 419 OE2 GLU A 27 -10.696 8.075 4.234 1.00 1.75 O ATOM 0 H GLU A 27 -10.585 10.860 -1.028 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.016 11.833 0.996 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.142 10.576 1.175 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.357 9.126 0.581 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -8.908 9.131 2.626 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.820 10.502 3.226 1.00 0.58 H new ATOM 426 N ARG A 28 -6.758 10.949 0.868 1.00 0.33 N ATOM 427 CA ARG A 28 -5.386 10.466 0.840 1.00 0.33 C ATOM 428 C ARG A 28 -4.876 10.198 2.249 1.00 0.30 C ATOM 429 O ARG A 28 -4.955 11.050 3.131 1.00 0.36 O ATOM 430 CB ARG A 28 -4.491 11.483 0.105 1.00 0.48 C ATOM 431 CG ARG A 28 -3.069 11.648 0.654 1.00 0.72 C ATOM 432 CD ARG A 28 -2.131 10.494 0.295 1.00 0.76 C ATOM 433 NE ARG A 28 -0.750 10.809 0.663 1.00 1.75 N ATOM 434 CZ ARG A 28 0.168 9.902 0.992 1.00 2.38 C ATOM 435 NH1 ARG A 28 -0.160 8.622 1.048 1.00 2.45 N ATOM 436 NH2 ARG A 28 1.405 10.279 1.280 1.00 3.31 N ATOM 0 H ARG A 28 -6.855 11.911 1.194 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.354 9.521 0.298 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -4.423 11.187 -0.942 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.984 12.455 0.130 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -2.648 12.578 0.273 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.117 11.741 1.739 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.451 9.587 0.809 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -2.189 10.292 -0.775 1.00 0.76 H new ATOM 0 HE ARG A 28 -0.472 11.790 0.668 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -1.115 8.331 0.839 1.00 2.45 H new ATOM 0 HH12 ARG A 28 0.542 7.926 1.300 1.00 2.45 H new ATOM 0 HH21 ARG A 28 1.657 11.267 1.250 1.00 3.31 H new ATOM 0 HH22 ARG A 28 2.105 9.581 1.532 1.00 3.31 H new ATOM 450 N TYR A 29 -4.384 8.990 2.445 1.00 0.28 N ATOM 451 CA TYR A 29 -3.729 8.612 3.682 1.00 0.27 C ATOM 452 C TYR A 29 -2.335 8.095 3.394 1.00 0.25 C ATOM 453 O TYR A 29 -2.137 7.316 2.455 1.00 0.27 O ATOM 454 CB TYR A 29 -4.521 7.540 4.420 1.00 0.34 C ATOM 455 CG TYR A 29 -5.669 8.075 5.237 1.00 0.93 C ATOM 456 CD1 TYR A 29 -6.888 8.365 4.638 1.00 1.65 C ATOM 457 CD2 TYR A 29 -5.534 8.302 6.599 1.00 1.30 C ATOM 458 CE1 TYR A 29 -7.941 8.864 5.375 1.00 2.31 C ATOM 459 CE2 TYR A 29 -6.584 8.800 7.341 1.00 1.95 C ATOM 460 CZ TYR A 29 -7.779 9.042 6.757 1.00 2.36 C ATOM 461 OH TYR A 29 -8.833 9.579 7.463 1.00 3.09 O ATOM 0 H TYR A 29 -4.427 8.243 1.751 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.671 9.498 4.314 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.908 6.825 3.694 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.846 6.993 5.077 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -7.013 8.197 3.578 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -4.594 8.086 7.085 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -8.876 9.114 4.896 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -6.451 8.998 8.394 1.00 1.95 H new ATOM 0 HH TYR A 29 -8.591 9.648 8.410 1.00 3.09 H new ATOM 471 N ASP A 30 -1.379 8.543 4.184 1.00 0.27 N ATOM 472 CA ASP A 30 -0.009 8.063 4.090 1.00 0.30 C ATOM 473 C ASP A 30 0.082 6.714 4.789 1.00 0.25 C ATOM 474 O ASP A 30 -0.225 6.597 5.975 1.00 0.34 O ATOM 475 CB ASP A 30 0.927 9.073 4.762 1.00 0.50 C ATOM 476 CG ASP A 30 2.395 8.723 4.630 1.00 1.27 C ATOM 477 OD1 ASP A 30 2.863 7.840 5.382 1.00 2.01 O ATOM 478 OD2 ASP A 30 3.082 9.301 3.762 1.00 1.99 O ATOM 0 H ASP A 30 -1.526 9.247 4.907 1.00 0.27 H new ATOM 0 HA ASP A 30 0.285 7.951 3.046 1.00 0.30 H new ATOM 0 HB2 ASP A 30 0.757 10.058 4.327 1.00 0.50 H new ATOM 0 HB3 ASP A 30 0.673 9.143 5.820 1.00 0.50 H new ATOM 483 N LEU A 31 0.479 5.698 4.047 1.00 0.18 N ATOM 484 CA LEU A 31 0.547 4.342 4.573 1.00 0.15 C ATOM 485 C LEU A 31 1.932 3.785 4.291 1.00 0.14 C ATOM 486 O LEU A 31 2.603 4.252 3.386 1.00 0.18 O ATOM 487 CB LEU A 31 -0.549 3.475 3.941 1.00 0.15 C ATOM 488 CG LEU A 31 -1.337 2.592 4.905 1.00 0.14 C ATOM 489 CD1 LEU A 31 -0.503 1.404 5.354 1.00 0.17 C ATOM 490 CD2 LEU A 31 -1.774 3.408 6.109 1.00 0.16 C ATOM 0 H LEU A 31 0.762 5.784 3.071 1.00 0.18 H new ATOM 0 HA LEU A 31 0.378 4.343 5.650 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.250 4.129 3.422 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.090 2.837 3.186 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.218 2.213 4.387 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.085 0.789 6.040 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.220 0.809 4.486 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.395 1.760 5.859 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.336 2.773 6.794 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -0.895 3.803 6.619 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.405 4.234 5.779 1.00 0.16 H new ATOM 502 N LEU A 32 2.391 2.835 5.077 1.00 0.15 N ATOM 503 CA LEU A 32 3.760 2.379 4.947 1.00 0.16 C ATOM 504 C LEU A 32 3.822 0.929 4.474 1.00 0.14 C ATOM 505 O LEU A 32 3.023 0.093 4.894 1.00 0.14 O ATOM 506 CB LEU A 32 4.497 2.614 6.274 1.00 0.19 C ATOM 507 CG LEU A 32 5.526 1.560 6.690 1.00 0.22 C ATOM 508 CD1 LEU A 32 6.617 2.213 7.510 1.00 0.52 C ATOM 509 CD2 LEU A 32 4.869 0.453 7.504 1.00 0.73 C ATOM 0 H LEU A 32 1.847 2.369 5.803 1.00 0.15 H new ATOM 0 HA LEU A 32 4.269 2.957 4.175 1.00 0.16 H new ATOM 0 HB2 LEU A 32 5.003 3.578 6.215 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.753 2.693 7.066 1.00 0.19 H new ATOM 0 HG LEU A 32 5.954 1.120 5.789 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.349 1.462 7.806 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.108 2.983 6.915 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.181 2.665 8.401 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.620 -0.284 7.788 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.420 0.879 8.402 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.096 -0.029 6.906 1.00 0.73 H new ATOM 521 N VAL A 33 4.799 0.656 3.609 1.00 0.14 N ATOM 522 CA VAL A 33 4.957 -0.649 2.967 1.00 0.14 C ATOM 523 C VAL A 33 5.288 -1.713 4.012 1.00 0.14 C ATOM 524 O VAL A 33 5.904 -1.412 5.031 1.00 0.15 O ATOM 525 CB VAL A 33 6.055 -0.601 1.855 1.00 0.17 C ATOM 526 CG1 VAL A 33 7.169 -1.615 2.093 1.00 0.98 C ATOM 527 CG2 VAL A 33 5.419 -0.819 0.494 1.00 1.15 C ATOM 0 H VAL A 33 5.506 1.337 3.333 1.00 0.14 H new ATOM 0 HA VAL A 33 4.014 -0.912 2.488 1.00 0.14 H new ATOM 0 HB VAL A 33 6.515 0.387 1.889 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.906 -1.541 1.293 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.650 -1.409 3.049 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.749 -2.621 2.107 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.189 -0.785 -0.277 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.928 -1.792 0.473 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.683 -0.037 0.307 1.00 1.15 H new ATOM 537 N THR A 34 4.873 -2.950 3.761 1.00 0.14 N ATOM 538 CA THR A 34 4.842 -3.962 4.802 1.00 0.17 C ATOM 539 C THR A 34 6.202 -4.623 4.992 1.00 0.17 C ATOM 540 O THR A 34 6.716 -5.308 4.103 1.00 0.18 O ATOM 541 CB THR A 34 3.785 -5.033 4.477 1.00 0.19 C ATOM 542 OG1 THR A 34 2.544 -4.397 4.136 1.00 0.21 O ATOM 543 CG2 THR A 34 3.567 -5.969 5.657 1.00 0.23 C ATOM 0 H THR A 34 4.555 -3.272 2.847 1.00 0.14 H new ATOM 0 HA THR A 34 4.579 -3.461 5.733 1.00 0.17 H new ATOM 0 HB THR A 34 4.146 -5.622 3.634 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.666 -3.854 3.329 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.815 -6.714 5.396 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.504 -6.469 5.902 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.226 -5.395 6.518 1.00 0.23 H new ATOM 551 N PRO A 35 6.782 -4.407 6.186 1.00 0.18 N ATOM 552 CA PRO A 35 8.110 -4.895 6.554 1.00 0.20 C ATOM 553 C PRO A 35 8.156 -6.407 6.765 1.00 0.23 C ATOM 554 O PRO A 35 7.116 -7.051 6.928 1.00 0.35 O ATOM 555 CB PRO A 35 8.415 -4.164 7.864 1.00 0.27 C ATOM 556 CG PRO A 35 7.080 -3.875 8.453 1.00 0.32 C ATOM 557 CD PRO A 35 6.155 -3.649 7.291 1.00 0.22 C ATOM 0 HA PRO A 35 8.834 -4.704 5.762 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.017 -4.781 8.531 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.976 -3.247 7.685 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.737 -4.706 9.069 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.120 -2.996 9.097 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.149 -4.011 7.504 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.068 -2.590 7.050 1.00 0.22 H new ATOM 565 N GLN A 36 9.379 -6.943 6.716 1.00 0.26 N ATOM 566 CA GLN A 36 9.680 -8.368 6.909 1.00 0.29 C ATOM 567 C GLN A 36 9.645 -9.106 5.579 1.00 0.30 C ATOM 568 O GLN A 36 9.344 -10.297 5.517 1.00 0.73 O ATOM 569 CB GLN A 36 8.756 -9.051 7.931 1.00 0.42 C ATOM 570 CG GLN A 36 8.925 -8.549 9.358 1.00 0.59 C ATOM 571 CD GLN A 36 10.340 -8.725 9.873 1.00 0.98 C ATOM 572 OE1 GLN A 36 10.689 -9.769 10.421 1.00 1.69 O ATOM 573 NE2 GLN A 36 11.157 -7.694 9.731 1.00 1.72 N ATOM 0 H GLN A 36 10.212 -6.383 6.536 1.00 0.26 H new ATOM 0 HA GLN A 36 10.687 -8.417 7.323 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.721 -8.901 7.625 1.00 0.42 H new ATOM 0 HB3 GLN A 36 8.942 -10.125 7.911 1.00 0.42 H new ATOM 0 HG2 GLN A 36 8.654 -7.494 9.403 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.235 -9.083 10.011 1.00 0.59 H new ATOM 0 HE21 GLN A 36 10.831 -6.844 9.270 1.00 1.72 H new ATOM 0 HE22 GLN A 36 12.113 -7.749 10.082 1.00 1.72 H new ATOM 582 N GLN A 37 9.967 -8.380 4.520 1.00 0.33 N ATOM 583 CA GLN A 37 10.057 -8.945 3.185 1.00 0.26 C ATOM 584 C GLN A 37 11.458 -8.761 2.622 1.00 0.30 C ATOM 585 O GLN A 37 12.069 -9.694 2.095 1.00 0.74 O ATOM 586 CB GLN A 37 9.079 -8.258 2.237 1.00 0.23 C ATOM 587 CG GLN A 37 8.151 -9.227 1.513 1.00 0.26 C ATOM 588 CD GLN A 37 8.863 -10.496 1.065 1.00 0.44 C ATOM 589 OE1 GLN A 37 9.447 -10.548 -0.019 1.00 1.02 O ATOM 590 NE2 GLN A 37 8.794 -11.540 1.877 1.00 1.42 N ATOM 0 H GLN A 37 10.173 -7.382 4.563 1.00 0.33 H new ATOM 0 HA GLN A 37 9.816 -10.005 3.265 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.478 -7.545 2.802 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.642 -7.686 1.499 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.324 -9.492 2.171 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.720 -8.730 0.644 1.00 0.26 H new ATOM 0 HE21 GLN A 37 8.302 -11.462 2.767 1.00 1.42 H new ATOM 0 HE22 GLN A 37 9.233 -12.422 1.612 1.00 1.42 H new ATOM 599 N GLY A 38 11.974 -7.556 2.790 1.00 0.43 N ATOM 600 CA GLY A 38 13.157 -7.130 2.071 1.00 0.34 C ATOM 601 C GLY A 38 13.189 -5.629 1.883 1.00 0.38 C ATOM 602 O GLY A 38 14.160 -5.105 1.355 1.00 0.83 O ATOM 0 H GLY A 38 11.589 -6.854 3.422 1.00 0.43 H new ATOM 0 HA2 GLY A 38 14.047 -7.447 2.615 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.187 -7.619 1.097 1.00 0.34 H new ATOM 606 N ASN A 39 12.093 -4.972 2.285 1.00 0.27 N ATOM 607 CA ASN A 39 11.905 -3.512 2.264 1.00 0.22 C ATOM 608 C ASN A 39 11.614 -2.995 0.872 1.00 0.21 C ATOM 609 O ASN A 39 10.911 -2.006 0.709 1.00 0.27 O ATOM 610 CB ASN A 39 13.048 -2.725 2.951 1.00 0.29 C ATOM 611 CG ASN A 39 14.340 -2.545 2.154 1.00 0.40 C ATOM 612 OD1 ASN A 39 14.338 -2.373 0.937 1.00 1.06 O ATOM 613 ND2 ASN A 39 15.464 -2.576 2.852 1.00 1.11 N ATOM 0 H ASN A 39 11.277 -5.463 2.650 1.00 0.27 H new ATOM 0 HA ASN A 39 11.019 -3.326 2.871 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.670 -1.737 3.212 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.293 -3.230 3.885 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.360 -2.455 2.381 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.434 -2.721 3.861 1.00 1.11 H new ATOM 620 N SER A 40 12.121 -3.666 -0.132 1.00 0.24 N ATOM 621 CA SER A 40 11.887 -3.242 -1.487 1.00 0.32 C ATOM 622 C SER A 40 10.724 -4.007 -2.090 1.00 0.32 C ATOM 623 O SER A 40 10.011 -3.493 -2.935 1.00 0.50 O ATOM 624 CB SER A 40 13.148 -3.442 -2.315 1.00 0.40 C ATOM 625 OG SER A 40 14.255 -2.798 -1.704 1.00 1.42 O ATOM 0 H SER A 40 12.695 -4.504 -0.036 1.00 0.24 H new ATOM 0 HA SER A 40 11.631 -2.182 -1.487 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.354 -4.507 -2.422 1.00 0.40 H new ATOM 0 HB3 SER A 40 12.997 -3.044 -3.318 1.00 0.40 H new ATOM 0 HG SER A 40 14.082 -2.689 -0.746 1.00 1.42 H new ATOM 631 N GLU A 41 10.490 -5.213 -1.614 1.00 0.24 N ATOM 632 CA GLU A 41 9.515 -6.078 -2.249 1.00 0.31 C ATOM 633 C GLU A 41 8.538 -6.608 -1.219 1.00 0.26 C ATOM 634 O GLU A 41 8.687 -7.713 -0.733 1.00 0.30 O ATOM 635 CB GLU A 41 10.199 -7.226 -3.018 1.00 0.45 C ATOM 636 CG GLU A 41 11.281 -7.976 -2.245 1.00 1.12 C ATOM 637 CD GLU A 41 12.579 -7.200 -2.120 1.00 1.32 C ATOM 638 OE1 GLU A 41 13.266 -7.011 -3.145 1.00 1.66 O ATOM 639 OE2 GLU A 41 12.909 -6.759 -1.003 1.00 1.83 O ATOM 0 H GLU A 41 10.955 -5.614 -0.799 1.00 0.24 H new ATOM 0 HA GLU A 41 8.959 -5.491 -2.979 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.435 -7.940 -3.327 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.641 -6.819 -3.927 1.00 0.45 H new ATOM 0 HG2 GLU A 41 10.909 -8.210 -1.248 1.00 1.12 H new ATOM 0 HG3 GLU A 41 11.480 -8.926 -2.742 1.00 1.12 H new ATOM 646 N PRO A 42 7.515 -5.803 -0.899 1.00 0.22 N ATOM 647 CA PRO A 42 6.531 -6.095 0.160 1.00 0.21 C ATOM 648 C PRO A 42 5.749 -7.383 -0.081 1.00 0.20 C ATOM 649 O PRO A 42 5.747 -7.927 -1.177 1.00 0.20 O ATOM 650 CB PRO A 42 5.588 -4.894 0.116 1.00 0.23 C ATOM 651 CG PRO A 42 6.350 -3.825 -0.575 1.00 0.26 C ATOM 652 CD PRO A 42 7.231 -4.522 -1.562 1.00 0.24 C ATOM 0 HA PRO A 42 7.023 -6.244 1.121 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.670 -5.134 -0.421 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.298 -4.584 1.120 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.678 -3.128 -1.075 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.941 -3.245 0.134 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.731 -4.665 -2.520 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.143 -3.958 -1.759 1.00 0.24 H new ATOM 660 N VAL A 43 5.087 -7.869 0.958 1.00 0.21 N ATOM 661 CA VAL A 43 4.403 -9.156 0.896 1.00 0.22 C ATOM 662 C VAL A 43 3.101 -9.055 0.106 1.00 0.19 C ATOM 663 O VAL A 43 2.597 -7.955 -0.101 1.00 0.17 O ATOM 664 CB VAL A 43 4.078 -9.702 2.303 1.00 0.26 C ATOM 665 CG1 VAL A 43 5.347 -9.938 3.103 1.00 0.32 C ATOM 666 CG2 VAL A 43 3.140 -8.763 3.050 1.00 0.24 C ATOM 0 H VAL A 43 5.008 -7.392 1.856 1.00 0.21 H new ATOM 0 HA VAL A 43 5.087 -9.840 0.394 1.00 0.22 H new ATOM 0 HB VAL A 43 3.572 -10.660 2.179 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.089 -10.322 4.090 1.00 0.32 H new ATOM 0 HG12 VAL A 43 5.975 -10.662 2.584 1.00 0.32 H new ATOM 0 HG13 VAL A 43 5.890 -8.999 3.210 1.00 0.32 H new ATOM 0 HG21 VAL A 43 2.927 -9.171 4.038 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.611 -7.786 3.155 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.209 -8.659 2.492 1.00 0.24 H new ATOM 676 N VAL A 44 2.540 -10.198 -0.286 1.00 0.22 N ATOM 677 CA VAL A 44 1.300 -10.227 -1.074 1.00 0.22 C ATOM 678 C VAL A 44 0.207 -9.402 -0.406 1.00 0.20 C ATOM 679 O VAL A 44 -0.627 -8.798 -1.068 1.00 0.25 O ATOM 680 CB VAL A 44 0.797 -11.668 -1.276 1.00 0.27 C ATOM 681 CG1 VAL A 44 1.625 -12.377 -2.334 1.00 0.36 C ATOM 682 CG2 VAL A 44 0.838 -12.440 0.034 1.00 0.36 C ATOM 0 H VAL A 44 2.922 -11.119 -0.072 1.00 0.22 H new ATOM 0 HA VAL A 44 1.531 -9.794 -2.047 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.237 -11.624 -1.617 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.256 -13.394 -2.464 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.546 -11.839 -3.279 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.668 -12.407 -2.020 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.479 -13.456 -0.131 1.00 0.36 H new ATOM 0 HG22 VAL A 44 1.862 -12.473 0.405 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.202 -11.945 0.768 1.00 0.36 H new ATOM 692 N GLN A 45 0.251 -9.377 0.911 1.00 0.19 N ATOM 693 CA GLN A 45 -0.702 -8.697 1.739 1.00 0.19 C ATOM 694 C GLN A 45 -0.626 -7.170 1.579 1.00 0.16 C ATOM 695 O GLN A 45 -1.641 -6.493 1.671 1.00 0.19 O ATOM 696 CB GLN A 45 -0.469 -9.135 3.178 1.00 0.25 C ATOM 697 CG GLN A 45 -0.719 -8.048 4.167 1.00 0.62 C ATOM 698 CD GLN A 45 -0.780 -8.544 5.599 1.00 0.89 C ATOM 699 OE1 GLN A 45 -0.423 -7.830 6.532 1.00 1.66 O ATOM 700 NE2 GLN A 45 -1.236 -9.771 5.788 1.00 1.44 N ATOM 0 H GLN A 45 0.981 -9.849 1.445 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.712 -8.967 1.432 1.00 0.19 H new ATOM 0 HB2 GLN A 45 -1.119 -9.980 3.404 1.00 0.25 H new ATOM 0 HB3 GLN A 45 0.558 -9.485 3.283 1.00 0.25 H new ATOM 0 HG2 GLN A 45 0.069 -7.300 4.082 1.00 0.62 H new ATOM 0 HG3 GLN A 45 -1.658 -7.551 3.921 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -1.524 -10.337 4.990 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -1.300 -10.152 6.732 1.00 1.44 H new ATOM 709 N ASP A 46 0.570 -6.653 1.297 1.00 0.15 N ATOM 710 CA ASP A 46 0.889 -5.226 1.451 1.00 0.14 C ATOM 711 C ASP A 46 -0.062 -4.312 0.703 1.00 0.14 C ATOM 712 O ASP A 46 -0.525 -3.321 1.259 1.00 0.15 O ATOM 713 CB ASP A 46 2.308 -4.969 0.950 1.00 0.17 C ATOM 714 CG ASP A 46 2.588 -3.502 0.689 1.00 0.14 C ATOM 715 OD1 ASP A 46 3.050 -2.816 1.622 1.00 0.16 O ATOM 716 OD2 ASP A 46 2.363 -3.044 -0.461 1.00 0.17 O ATOM 0 H ASP A 46 1.351 -7.212 0.953 1.00 0.15 H new ATOM 0 HA ASP A 46 0.791 -4.997 2.512 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.020 -5.344 1.685 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.471 -5.533 0.032 1.00 0.17 H new ATOM 721 N LEU A 47 -0.373 -4.638 -0.536 1.00 0.18 N ATOM 722 CA LEU A 47 -1.217 -3.788 -1.327 1.00 0.22 C ATOM 723 C LEU A 47 -2.583 -3.624 -0.648 1.00 0.19 C ATOM 724 O LEU A 47 -3.154 -2.533 -0.615 1.00 0.22 O ATOM 725 CB LEU A 47 -1.356 -4.389 -2.720 1.00 0.28 C ATOM 726 CG LEU A 47 -2.501 -5.378 -2.911 1.00 0.62 C ATOM 727 CD1 LEU A 47 -2.752 -5.583 -4.376 1.00 1.07 C ATOM 728 CD2 LEU A 47 -2.197 -6.712 -2.255 1.00 1.01 C ATOM 0 H LEU A 47 -0.052 -5.483 -1.008 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.773 -2.796 -1.416 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.482 -3.575 -3.434 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.422 -4.892 -2.972 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.390 -4.962 -2.436 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.571 -6.290 -4.509 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.016 -4.631 -4.837 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.852 -5.977 -4.848 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -3.034 -7.393 -2.410 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.296 -7.138 -2.697 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -2.043 -6.565 -1.186 1.00 1.01 H new ATOM 740 N ALA A 48 -3.076 -4.723 -0.090 1.00 0.18 N ATOM 741 CA ALA A 48 -4.310 -4.726 0.673 1.00 0.17 C ATOM 742 C ALA A 48 -4.115 -4.004 1.992 1.00 0.14 C ATOM 743 O ALA A 48 -4.973 -3.251 2.438 1.00 0.16 O ATOM 744 CB ALA A 48 -4.766 -6.158 0.917 1.00 0.19 C ATOM 0 H ALA A 48 -2.628 -5.637 -0.156 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.078 -4.203 0.103 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.693 -6.152 1.490 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -4.934 -6.654 -0.039 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -3.998 -6.694 1.474 1.00 0.19 H new ATOM 750 N GLN A 49 -2.951 -4.227 2.581 1.00 0.13 N ATOM 751 CA GLN A 49 -2.611 -3.711 3.894 1.00 0.13 C ATOM 752 C GLN A 49 -2.629 -2.208 3.906 1.00 0.12 C ATOM 753 O GLN A 49 -3.195 -1.579 4.790 1.00 0.13 O ATOM 754 CB GLN A 49 -1.202 -4.168 4.268 1.00 0.15 C ATOM 755 CG GLN A 49 -0.602 -3.427 5.445 1.00 0.20 C ATOM 756 CD GLN A 49 -1.072 -3.963 6.782 1.00 0.33 C ATOM 757 OE1 GLN A 49 -0.449 -4.848 7.362 1.00 0.94 O ATOM 758 NE2 GLN A 49 -2.183 -3.438 7.278 1.00 1.35 N ATOM 0 H GLN A 49 -2.207 -4.779 2.154 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.347 -4.087 4.604 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.226 -5.233 4.498 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.550 -4.043 3.404 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.485 -3.494 5.394 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -0.860 -2.370 5.372 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -2.673 -2.704 6.766 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.548 -3.768 8.171 1.00 1.35 H new ATOM 767 N LEU A 50 -1.986 -1.659 2.915 1.00 0.12 N ATOM 768 CA LEU A 50 -1.844 -0.227 2.780 1.00 0.12 C ATOM 769 C LEU A 50 -3.211 0.451 2.700 1.00 0.12 C ATOM 770 O LEU A 50 -3.539 1.346 3.488 1.00 0.13 O ATOM 771 CB LEU A 50 -1.052 0.051 1.513 1.00 0.12 C ATOM 772 CG LEU A 50 0.372 -0.531 1.475 1.00 0.11 C ATOM 773 CD1 LEU A 50 0.987 -0.343 0.100 1.00 0.12 C ATOM 774 CD2 LEU A 50 1.235 0.116 2.531 1.00 0.13 C ATOM 0 H LEU A 50 -1.540 -2.192 2.169 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.325 0.173 3.651 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.609 -0.345 0.664 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.987 1.130 1.376 1.00 0.12 H new ATOM 0 HG LEU A 50 0.313 -1.599 1.683 1.00 0.11 H new ATOM 0 HD11 LEU A 50 1.994 -0.760 0.092 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.376 -0.854 -0.645 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.033 0.720 -0.136 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.239 -0.307 2.490 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.286 1.190 2.351 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.804 -0.067 3.515 1.00 0.13 H new ATOM 786 N VAL A 51 -4.030 -0.034 1.789 1.00 0.11 N ATOM 787 CA VAL A 51 -5.359 0.497 1.580 1.00 0.10 C ATOM 788 C VAL A 51 -6.226 0.255 2.816 1.00 0.10 C ATOM 789 O VAL A 51 -7.061 1.091 3.173 1.00 0.10 O ATOM 790 CB VAL A 51 -5.951 -0.152 0.335 1.00 0.11 C ATOM 791 CG1 VAL A 51 -6.887 -1.299 0.656 1.00 0.21 C ATOM 792 CG2 VAL A 51 -6.609 0.898 -0.519 1.00 0.18 C ATOM 0 H VAL A 51 -3.791 -0.810 1.172 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.317 1.575 1.426 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.134 -0.601 -0.230 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.277 -1.721 -0.270 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -6.344 -2.069 1.205 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -7.714 -0.934 1.265 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -7.032 0.431 -1.409 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -7.403 1.383 0.048 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.869 1.641 -0.816 1.00 0.18 H new ATOM 802 N GLU A 52 -5.980 -0.870 3.484 1.00 0.11 N ATOM 803 CA GLU A 52 -6.723 -1.246 4.675 1.00 0.12 C ATOM 804 C GLU A 52 -6.324 -0.384 5.871 1.00 0.13 C ATOM 805 O GLU A 52 -7.177 0.217 6.524 1.00 0.16 O ATOM 806 CB GLU A 52 -6.471 -2.726 4.999 1.00 0.17 C ATOM 807 CG GLU A 52 -6.959 -3.153 6.375 1.00 0.50 C ATOM 808 CD GLU A 52 -6.764 -4.632 6.640 1.00 0.53 C ATOM 809 OE1 GLU A 52 -5.632 -5.034 6.984 1.00 0.74 O ATOM 810 OE2 GLU A 52 -7.746 -5.397 6.524 1.00 0.74 O ATOM 0 H GLU A 52 -5.262 -1.542 3.213 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.783 -1.087 4.478 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -6.962 -3.341 4.244 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.402 -2.926 4.926 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.429 -2.580 7.136 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -8.017 -2.909 6.471 1.00 0.50 H new ATOM 817 N GLU A 53 -5.017 -0.277 6.111 1.00 0.13 N ATOM 818 CA GLU A 53 -4.511 0.364 7.320 1.00 0.15 C ATOM 819 C GLU A 53 -4.753 1.860 7.278 1.00 0.16 C ATOM 820 O GLU A 53 -4.915 2.499 8.315 1.00 0.19 O ATOM 821 CB GLU A 53 -3.016 0.070 7.516 1.00 0.19 C ATOM 822 CG GLU A 53 -2.396 0.822 8.689 1.00 0.24 C ATOM 823 CD GLU A 53 -0.977 0.398 8.991 1.00 0.84 C ATOM 824 OE1 GLU A 53 -0.794 -0.654 9.634 1.00 1.32 O ATOM 825 OE2 GLU A 53 -0.042 1.131 8.611 1.00 1.51 O ATOM 0 H GLU A 53 -4.292 -0.626 5.484 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.055 -0.051 8.169 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.882 -1.001 7.670 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.480 0.331 6.603 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -2.410 1.891 8.474 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.010 0.667 9.576 1.00 0.24 H new ATOM 832 N ALA A 54 -4.811 2.410 6.072 1.00 0.16 N ATOM 833 CA ALA A 54 -5.024 3.839 5.906 1.00 0.18 C ATOM 834 C ALA A 54 -6.326 4.286 6.554 1.00 0.21 C ATOM 835 O ALA A 54 -6.429 5.401 7.050 1.00 0.30 O ATOM 836 CB ALA A 54 -5.017 4.199 4.435 1.00 0.24 C ATOM 0 H ALA A 54 -4.714 1.890 5.200 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.208 4.361 6.405 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.177 5.271 4.322 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.056 3.928 3.999 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -5.813 3.657 3.924 1.00 0.24 H new ATOM 842 N THR A 55 -7.327 3.422 6.537 1.00 0.25 N ATOM 843 CA THR A 55 -8.593 3.746 7.168 1.00 0.33 C ATOM 844 C THR A 55 -8.883 2.841 8.373 1.00 0.29 C ATOM 845 O THR A 55 -9.779 3.125 9.170 1.00 0.39 O ATOM 846 CB THR A 55 -9.740 3.667 6.143 1.00 0.51 C ATOM 847 OG1 THR A 55 -10.999 3.912 6.771 1.00 1.14 O ATOM 848 CG2 THR A 55 -9.756 2.316 5.446 1.00 1.66 C ATOM 0 H THR A 55 -7.288 2.502 6.099 1.00 0.25 H new ATOM 0 HA THR A 55 -8.521 4.768 7.541 1.00 0.33 H new ATOM 0 HB THR A 55 -9.569 4.439 5.393 1.00 0.51 H new ATOM 0 HG1 THR A 55 -10.896 3.856 7.744 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.575 2.287 4.728 1.00 1.66 H new ATOM 0 HG22 THR A 55 -8.811 2.164 4.925 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.893 1.527 6.185 1.00 1.66 H new ATOM 856 N GLY A 56 -8.112 1.764 8.514 1.00 0.25 N ATOM 857 CA GLY A 56 -8.360 0.799 9.577 1.00 0.26 C ATOM 858 C GLY A 56 -9.531 -0.107 9.248 1.00 0.29 C ATOM 859 O GLY A 56 -10.085 -0.773 10.121 1.00 0.34 O ATOM 0 H GLY A 56 -7.320 1.541 7.912 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.466 0.196 9.737 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -8.559 1.327 10.509 1.00 0.26 H new ATOM 863 N VAL A 57 -9.887 -0.128 7.974 1.00 0.30 N ATOM 864 CA VAL A 57 -11.069 -0.823 7.495 1.00 0.36 C ATOM 865 C VAL A 57 -10.687 -2.107 6.760 1.00 0.29 C ATOM 866 O VAL A 57 -9.704 -2.138 6.026 1.00 0.26 O ATOM 867 CB VAL A 57 -11.878 0.124 6.582 1.00 0.50 C ATOM 868 CG1 VAL A 57 -12.985 -0.589 5.837 1.00 1.62 C ATOM 869 CG2 VAL A 57 -12.453 1.252 7.412 1.00 1.33 C ATOM 0 H VAL A 57 -9.359 0.341 7.238 1.00 0.30 H new ATOM 0 HA VAL A 57 -11.687 -1.111 8.345 1.00 0.36 H new ATOM 0 HB VAL A 57 -11.195 0.519 5.830 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.521 0.125 5.211 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -12.557 -1.371 5.211 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.676 -1.035 6.552 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -13.025 1.922 6.769 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -13.107 0.841 8.181 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -11.642 1.806 7.884 1.00 1.33 H new ATOM 879 N PRO A 58 -11.473 -3.178 6.963 1.00 0.32 N ATOM 880 CA PRO A 58 -11.207 -4.522 6.413 1.00 0.34 C ATOM 881 C PRO A 58 -11.245 -4.576 4.895 1.00 0.31 C ATOM 882 O PRO A 58 -11.935 -3.797 4.233 1.00 0.27 O ATOM 883 CB PRO A 58 -12.366 -5.347 6.959 1.00 0.39 C ATOM 884 CG PRO A 58 -13.439 -4.339 7.134 1.00 0.39 C ATOM 885 CD PRO A 58 -12.730 -3.167 7.726 1.00 0.37 C ATOM 0 HA PRO A 58 -10.210 -4.866 6.690 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.662 -6.135 6.267 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.109 -5.830 7.901 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -13.908 -4.085 6.184 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.228 -4.704 7.792 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.285 -2.239 7.591 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -12.563 -3.285 8.797 1.00 0.37 H new ATOM 893 N LEU A 59 -10.516 -5.562 4.376 1.00 0.35 N ATOM 894 CA LEU A 59 -10.363 -5.804 2.944 1.00 0.36 C ATOM 895 C LEU A 59 -11.682 -5.800 2.153 1.00 0.36 C ATOM 896 O LEU A 59 -11.722 -5.220 1.075 1.00 0.37 O ATOM 897 CB LEU A 59 -9.642 -7.135 2.718 1.00 0.45 C ATOM 898 CG LEU A 59 -8.310 -7.291 3.453 1.00 1.21 C ATOM 899 CD1 LEU A 59 -7.641 -8.599 3.069 1.00 1.79 C ATOM 900 CD2 LEU A 59 -7.392 -6.114 3.162 1.00 2.08 C ATOM 0 H LEU A 59 -10.004 -6.229 4.953 1.00 0.35 H new ATOM 0 HA LEU A 59 -9.777 -4.967 2.564 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.304 -7.945 3.025 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -9.465 -7.256 1.649 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.511 -7.308 4.524 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -6.694 -8.694 3.601 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.292 -9.432 3.335 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -7.456 -8.611 1.995 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -6.451 -6.246 3.695 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -7.198 -6.060 2.091 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -7.869 -5.191 3.491 1.00 2.08 H new ATOM 912 N PRO A 60 -12.779 -6.441 2.636 1.00 0.38 N ATOM 913 CA PRO A 60 -14.028 -6.524 1.865 1.00 0.41 C ATOM 914 C PRO A 60 -14.714 -5.172 1.698 1.00 0.38 C ATOM 915 O PRO A 60 -15.605 -5.018 0.865 1.00 0.46 O ATOM 916 CB PRO A 60 -14.918 -7.464 2.686 1.00 0.47 C ATOM 917 CG PRO A 60 -14.002 -8.121 3.651 1.00 0.52 C ATOM 918 CD PRO A 60 -12.920 -7.127 3.930 1.00 0.42 C ATOM 0 HA PRO A 60 -13.835 -6.876 0.851 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -15.704 -6.912 3.202 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.410 -8.198 2.048 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -14.528 -8.393 4.566 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -13.590 -9.040 3.235 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.198 -6.437 4.727 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -11.993 -7.611 4.236 1.00 0.42 H new ATOM 926 N PHE A 61 -14.302 -4.197 2.496 1.00 0.33 N ATOM 927 CA PHE A 61 -14.914 -2.880 2.458 1.00 0.34 C ATOM 928 C PHE A 61 -14.227 -1.967 1.460 1.00 0.28 C ATOM 929 O PHE A 61 -14.819 -0.990 0.995 1.00 0.31 O ATOM 930 CB PHE A 61 -14.881 -2.253 3.839 1.00 0.37 C ATOM 931 CG PHE A 61 -16.163 -2.425 4.600 1.00 0.44 C ATOM 932 CD1 PHE A 61 -17.234 -1.576 4.378 1.00 0.66 C ATOM 933 CD2 PHE A 61 -16.296 -3.432 5.539 1.00 0.45 C ATOM 934 CE1 PHE A 61 -18.414 -1.732 5.076 1.00 0.77 C ATOM 935 CE2 PHE A 61 -17.474 -3.593 6.242 1.00 0.56 C ATOM 936 CZ PHE A 61 -18.537 -2.747 6.005 1.00 0.68 C ATOM 0 H PHE A 61 -13.548 -4.294 3.176 1.00 0.33 H new ATOM 0 HA PHE A 61 -15.948 -3.005 2.136 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.065 -2.694 4.411 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.664 -1.189 3.742 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -17.145 -0.783 3.650 1.00 0.66 H new ATOM 0 HD2 PHE A 61 -15.468 -4.101 5.725 1.00 0.45 H new ATOM 0 HE1 PHE A 61 -19.241 -1.061 4.896 1.00 0.77 H new ATOM 0 HE2 PHE A 61 -17.562 -4.380 6.976 1.00 0.56 H new ATOM 0 HZ PHE A 61 -19.463 -2.878 6.544 1.00 0.68 H new ATOM 946 N GLN A 62 -13.002 -2.296 1.089 1.00 0.22 N ATOM 947 CA GLN A 62 -12.292 -1.493 0.118 1.00 0.19 C ATOM 948 C GLN A 62 -11.993 -2.298 -1.132 1.00 0.19 C ATOM 949 O GLN A 62 -11.675 -3.482 -1.062 1.00 0.33 O ATOM 950 CB GLN A 62 -10.981 -0.929 0.675 1.00 0.19 C ATOM 951 CG GLN A 62 -10.023 -1.966 1.214 1.00 0.25 C ATOM 952 CD GLN A 62 -9.636 -1.686 2.646 1.00 0.40 C ATOM 953 OE1 GLN A 62 -9.602 -0.532 3.079 1.00 0.96 O ATOM 954 NE2 GLN A 62 -9.337 -2.732 3.385 1.00 0.29 N ATOM 0 H GLN A 62 -12.487 -3.103 1.441 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.947 -0.657 -0.127 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.480 -0.367 -0.113 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.215 -0.222 1.471 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.482 -2.953 1.148 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.127 -1.989 0.594 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.379 -3.669 2.984 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.063 -2.606 4.359 1.00 0.29 H new ATOM 963 N LYS A 63 -12.110 -1.663 -2.278 1.00 0.19 N ATOM 964 CA LYS A 63 -11.635 -2.258 -3.508 1.00 0.18 C ATOM 965 C LYS A 63 -10.326 -1.594 -3.894 1.00 0.13 C ATOM 966 O LYS A 63 -10.318 -0.596 -4.616 1.00 0.14 O ATOM 967 CB LYS A 63 -12.673 -2.115 -4.629 1.00 0.26 C ATOM 968 CG LYS A 63 -12.296 -2.850 -5.907 1.00 1.14 C ATOM 969 CD LYS A 63 -13.397 -2.799 -6.962 1.00 1.68 C ATOM 970 CE LYS A 63 -13.558 -1.414 -7.575 1.00 2.52 C ATOM 971 NZ LYS A 63 -14.496 -0.548 -6.811 1.00 3.15 N ATOM 0 H LYS A 63 -12.528 -0.739 -2.384 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.474 -3.325 -3.356 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.633 -2.490 -4.274 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.808 -1.057 -4.855 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -11.385 -2.414 -6.317 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -12.073 -3.890 -5.671 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.173 -3.517 -7.751 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -14.341 -3.105 -6.511 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -12.583 -0.929 -7.625 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -13.917 -1.515 -8.599 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -15.009 0.073 -7.469 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -15.176 -1.143 -6.295 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -13.960 0.032 -6.134 1.00 3.15 H new ATOM 985 N LEU A 64 -9.220 -2.144 -3.399 1.00 0.12 N ATOM 986 CA LEU A 64 -7.917 -1.553 -3.612 1.00 0.10 C ATOM 987 C LEU A 64 -7.426 -1.892 -5.003 1.00 0.12 C ATOM 988 O LEU A 64 -7.263 -3.068 -5.358 1.00 0.14 O ATOM 989 CB LEU A 64 -6.921 -2.041 -2.533 1.00 0.11 C ATOM 990 CG LEU A 64 -5.427 -1.751 -2.763 1.00 0.13 C ATOM 991 CD1 LEU A 64 -4.767 -2.794 -3.649 1.00 0.48 C ATOM 992 CD2 LEU A 64 -5.241 -0.378 -3.360 1.00 0.51 C ATOM 0 H LEU A 64 -9.209 -3.001 -2.847 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.994 -0.469 -3.527 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.208 -1.592 -1.582 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -7.042 -3.119 -2.426 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.942 -1.792 -1.788 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.714 -2.545 -3.781 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.852 -3.775 -3.182 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.261 -2.811 -4.621 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.179 -0.190 -3.516 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.763 -0.323 -4.315 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.646 0.372 -2.681 1.00 0.51 H new ATOM 1004 N ILE A 65 -7.227 -0.833 -5.774 1.00 0.12 N ATOM 1005 CA ILE A 65 -6.650 -0.906 -7.095 1.00 0.14 C ATOM 1006 C ILE A 65 -5.484 0.063 -7.184 1.00 0.15 C ATOM 1007 O ILE A 65 -5.669 1.282 -7.107 1.00 0.16 O ATOM 1008 CB ILE A 65 -7.684 -0.468 -8.131 1.00 0.16 C ATOM 1009 CG1 ILE A 65 -8.966 -1.298 -8.005 1.00 0.17 C ATOM 1010 CG2 ILE A 65 -7.107 -0.554 -9.541 1.00 0.20 C ATOM 1011 CD1 ILE A 65 -10.054 -0.896 -8.977 1.00 1.20 C ATOM 0 H ILE A 65 -7.469 0.116 -5.487 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.326 -1.930 -7.282 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.941 0.574 -7.938 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.723 -2.349 -8.161 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.348 -1.206 -6.988 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.860 -0.238 -10.262 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.235 0.096 -9.618 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.812 -1.582 -9.751 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.929 -1.529 -8.826 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.326 0.146 -8.808 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.692 -1.015 -9.998 1.00 1.20 H new ATOM 1023 N PHE A 66 -4.289 -0.473 -7.244 1.00 0.17 N ATOM 1024 CA PHE A 66 -3.108 0.305 -7.551 1.00 0.18 C ATOM 1025 C PHE A 66 -1.940 -0.605 -7.842 1.00 0.20 C ATOM 1026 O PHE A 66 -1.947 -1.754 -7.403 1.00 0.20 O ATOM 1027 CB PHE A 66 -2.787 1.377 -6.539 1.00 0.19 C ATOM 1028 CG PHE A 66 -2.906 2.764 -7.134 1.00 0.23 C ATOM 1029 CD1 PHE A 66 -2.648 2.996 -8.475 1.00 0.45 C ATOM 1030 CD2 PHE A 66 -3.259 3.840 -6.335 1.00 0.25 C ATOM 1031 CE1 PHE A 66 -2.745 4.267 -9.007 1.00 0.51 C ATOM 1032 CE2 PHE A 66 -3.360 5.113 -6.862 1.00 0.28 C ATOM 1033 CZ PHE A 66 -3.152 5.297 -8.256 1.00 0.36 C ATOM 0 H PHE A 66 -4.105 -1.463 -7.081 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.332 0.869 -8.456 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.462 1.287 -5.688 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.775 1.229 -6.161 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -2.367 2.172 -9.114 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -3.458 3.681 -5.285 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -2.489 4.432 -10.043 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -3.593 5.954 -6.226 1.00 0.28 H new ATOM 0 HZ PHE A 66 -3.322 6.264 -8.707 1.00 0.36 H new ATOM 1043 N LYS A 67 -1.016 -0.144 -8.673 1.00 0.22 N ATOM 1044 CA LYS A 67 0.203 -0.889 -9.030 1.00 0.25 C ATOM 1045 C LYS A 67 -0.139 -2.144 -9.807 1.00 0.28 C ATOM 1046 O LYS A 67 0.579 -3.144 -9.754 1.00 0.32 O ATOM 1047 CB LYS A 67 1.128 -1.257 -7.813 1.00 0.25 C ATOM 1048 CG LYS A 67 0.529 -1.278 -6.385 1.00 0.18 C ATOM 1049 CD LYS A 67 1.555 -1.827 -5.380 1.00 0.21 C ATOM 1050 CE LYS A 67 0.996 -1.989 -3.968 1.00 0.18 C ATOM 1051 NZ LYS A 67 2.050 -1.814 -2.916 1.00 0.19 N ATOM 0 H LYS A 67 -1.084 0.766 -9.128 1.00 0.22 H new ATOM 0 HA LYS A 67 0.777 -0.202 -9.652 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.547 -2.244 -8.007 1.00 0.25 H new ATOM 0 HB3 LYS A 67 1.960 -0.553 -7.809 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.230 -0.271 -6.095 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.370 -1.895 -6.370 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.916 -2.793 -5.732 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.415 -1.158 -5.348 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.202 -1.260 -3.808 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.547 -2.977 -3.868 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.785 -2.352 -2.066 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.961 -2.163 -3.276 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.136 -0.806 -2.675 1.00 0.19 H new ATOM 1065 N GLY A 68 -1.227 -2.064 -10.566 1.00 0.31 N ATOM 1066 CA GLY A 68 -1.702 -3.204 -11.326 1.00 0.38 C ATOM 1067 C GLY A 68 -2.088 -4.345 -10.426 1.00 0.38 C ATOM 1068 O GLY A 68 -2.307 -5.467 -10.873 1.00 0.47 O ATOM 0 H GLY A 68 -1.792 -1.221 -10.668 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.561 -2.908 -11.929 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.925 -3.531 -12.017 1.00 0.38 H new ATOM 1072 N LYS A 69 -2.165 -4.040 -9.152 1.00 0.30 N ATOM 1073 CA LYS A 69 -2.462 -5.020 -8.143 1.00 0.33 C ATOM 1074 C LYS A 69 -3.777 -4.682 -7.460 1.00 0.24 C ATOM 1075 O LYS A 69 -4.105 -3.512 -7.255 1.00 0.23 O ATOM 1076 CB LYS A 69 -1.326 -5.063 -7.121 1.00 0.41 C ATOM 1077 CG LYS A 69 0.037 -5.337 -7.726 1.00 0.62 C ATOM 1078 CD LYS A 69 1.129 -5.343 -6.670 1.00 0.58 C ATOM 1079 CE LYS A 69 1.415 -6.743 -6.148 1.00 0.44 C ATOM 1080 NZ LYS A 69 0.282 -7.325 -5.387 1.00 1.21 N ATOM 0 H LYS A 69 -2.022 -3.098 -8.788 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.557 -6.001 -8.609 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.292 -4.111 -6.590 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.545 -5.833 -6.381 1.00 0.41 H new ATOM 0 HG2 LYS A 69 0.021 -6.299 -8.239 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.261 -4.579 -8.477 1.00 0.62 H new ATOM 0 HD2 LYS A 69 2.041 -4.920 -7.091 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.833 -4.701 -5.840 1.00 0.58 H new ATOM 0 HE2 LYS A 69 1.654 -7.395 -6.988 1.00 0.44 H new ATOM 0 HE3 LYS A 69 2.297 -6.712 -5.508 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 0.588 -8.208 -4.930 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 -0.031 -6.650 -4.660 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 -0.506 -7.525 -6.036 1.00 1.21 H new ATOM 1094 N SER A 70 -4.530 -5.706 -7.132 1.00 0.23 N ATOM 1095 CA SER A 70 -5.812 -5.529 -6.477 1.00 0.21 C ATOM 1096 C SER A 70 -5.798 -6.232 -5.124 1.00 0.23 C ATOM 1097 O SER A 70 -5.297 -7.340 -5.016 1.00 0.31 O ATOM 1098 CB SER A 70 -6.921 -6.078 -7.372 1.00 0.24 C ATOM 1099 OG SER A 70 -6.653 -7.425 -7.741 1.00 1.27 O ATOM 0 H SER A 70 -4.277 -6.678 -7.308 1.00 0.23 H new ATOM 0 HA SER A 70 -6.000 -4.469 -6.308 1.00 0.21 H new ATOM 0 HB2 SER A 70 -7.876 -6.023 -6.850 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.010 -5.462 -8.267 1.00 0.24 H new ATOM 0 HG SER A 70 -6.024 -7.820 -7.102 1.00 1.27 H new ATOM 1105 N LEU A 71 -6.368 -5.618 -4.100 1.00 0.19 N ATOM 1106 CA LEU A 71 -6.111 -6.082 -2.729 1.00 0.21 C ATOM 1107 C LEU A 71 -6.653 -7.483 -2.461 1.00 0.26 C ATOM 1108 O LEU A 71 -7.745 -7.849 -2.899 1.00 0.32 O ATOM 1109 CB LEU A 71 -6.696 -5.125 -1.678 1.00 0.23 C ATOM 1110 CG LEU A 71 -8.145 -5.407 -1.260 1.00 0.31 C ATOM 1111 CD1 LEU A 71 -8.502 -4.591 -0.036 1.00 1.34 C ATOM 1112 CD2 LEU A 71 -9.114 -5.106 -2.392 1.00 1.21 C ATOM 0 H LEU A 71 -6.996 -4.818 -4.177 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.025 -6.106 -2.642 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.066 -5.161 -0.789 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.640 -4.108 -2.067 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.227 -6.467 -1.020 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.533 -4.799 0.252 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -7.835 -4.856 0.785 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.395 -3.530 -0.262 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.132 -5.316 -2.065 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.032 -4.056 -2.672 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.874 -5.730 -3.252 1.00 1.21 H new ATOM 1178 N GLU A 75 -2.374 -12.019 -3.006 1.00 0.35 N ATOM 1179 CA GLU A 75 -2.584 -11.847 -4.421 1.00 0.33 C ATOM 1180 C GLU A 75 -1.248 -11.799 -5.208 1.00 0.30 C ATOM 1181 O GLU A 75 -0.410 -12.682 -5.019 1.00 0.49 O ATOM 1182 CB GLU A 75 -3.530 -10.652 -4.614 1.00 0.38 C ATOM 1183 CG GLU A 75 -2.919 -9.264 -4.606 1.00 0.92 C ATOM 1184 CD GLU A 75 -2.962 -8.631 -5.984 1.00 1.67 C ATOM 1185 OE1 GLU A 75 -3.928 -8.884 -6.717 1.00 2.03 O ATOM 1186 OE2 GLU A 75 -2.054 -7.846 -6.321 1.00 2.49 O ATOM 0 HA GLU A 75 -3.076 -12.715 -4.860 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.050 -10.785 -5.563 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -4.285 -10.691 -3.829 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -3.456 -8.633 -3.897 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -1.886 -9.322 -4.263 1.00 0.92 H new ATOM 1193 N THR A 76 -1.027 -10.803 -6.066 1.00 0.27 N ATOM 1194 CA THR A 76 0.061 -10.888 -7.054 1.00 0.26 C ATOM 1195 C THR A 76 1.451 -10.607 -6.456 1.00 0.17 C ATOM 1196 O THR A 76 1.567 -9.895 -5.456 1.00 0.18 O ATOM 1197 CB THR A 76 -0.181 -9.990 -8.294 1.00 0.40 C ATOM 1198 OG1 THR A 76 -0.258 -8.611 -7.927 1.00 0.49 O ATOM 1199 CG2 THR A 76 -1.457 -10.399 -9.017 1.00 0.69 C ATOM 0 H THR A 76 -1.572 -9.942 -6.102 1.00 0.27 H new ATOM 0 HA THR A 76 0.051 -11.927 -7.383 1.00 0.26 H new ATOM 0 HB THR A 76 0.667 -10.125 -8.965 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.162 -8.407 -7.610 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.606 -9.755 -9.884 1.00 0.69 H new ATOM 0 HG22 THR A 76 -1.373 -11.435 -9.345 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.306 -10.300 -8.341 1.00 0.69 H new ATOM 1207 N PRO A 77 2.502 -11.203 -7.078 1.00 0.19 N ATOM 1208 CA PRO A 77 3.906 -11.210 -6.622 1.00 0.18 C ATOM 1209 C PRO A 77 4.397 -10.023 -5.789 1.00 0.14 C ATOM 1210 O PRO A 77 4.068 -8.857 -6.026 1.00 0.16 O ATOM 1211 CB PRO A 77 4.662 -11.254 -7.935 1.00 0.30 C ATOM 1212 CG PRO A 77 3.821 -12.114 -8.814 1.00 0.36 C ATOM 1213 CD PRO A 77 2.392 -11.965 -8.339 1.00 0.28 C ATOM 0 HA PRO A 77 4.051 -12.037 -5.927 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.787 -10.256 -8.356 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.660 -11.673 -7.806 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.915 -11.809 -9.856 1.00 0.36 H new ATOM 0 HG3 PRO A 77 4.141 -13.154 -8.756 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.783 -11.435 -9.072 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.924 -12.936 -8.177 1.00 0.28 H new ATOM 1221 N LEU A 78 5.237 -10.389 -4.831 1.00 0.14 N ATOM 1222 CA LEU A 78 5.841 -9.491 -3.852 1.00 0.15 C ATOM 1223 C LEU A 78 6.840 -8.521 -4.477 1.00 0.16 C ATOM 1224 O LEU A 78 6.947 -7.373 -4.067 1.00 0.16 O ATOM 1225 CB LEU A 78 6.515 -10.318 -2.760 1.00 0.19 C ATOM 1226 CG LEU A 78 5.558 -11.155 -1.923 1.00 0.19 C ATOM 1227 CD1 LEU A 78 5.113 -12.407 -2.669 1.00 0.22 C ATOM 1228 CD2 LEU A 78 6.195 -11.533 -0.601 1.00 0.24 C ATOM 0 H LEU A 78 5.529 -11.359 -4.708 1.00 0.14 H new ATOM 0 HA LEU A 78 5.044 -8.882 -3.426 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.248 -10.980 -3.222 1.00 0.19 H new ATOM 0 HB3 LEU A 78 7.064 -9.647 -2.100 1.00 0.19 H new ATOM 0 HG LEU A 78 4.675 -10.547 -1.728 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.431 -12.981 -2.042 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.605 -12.121 -3.590 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.984 -13.016 -2.909 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.495 -12.131 -0.018 1.00 0.24 H new ATOM 0 HD22 LEU A 78 7.100 -12.111 -0.786 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.449 -10.629 -0.048 1.00 0.24 H new ATOM 1240 N SER A 79 7.599 -8.994 -5.442 1.00 0.18 N ATOM 1241 CA SER A 79 8.495 -8.119 -6.194 1.00 0.22 C ATOM 1242 C SER A 79 7.700 -6.989 -6.851 1.00 0.22 C ATOM 1243 O SER A 79 8.148 -5.844 -6.925 1.00 0.24 O ATOM 1244 CB SER A 79 9.258 -8.918 -7.248 1.00 0.27 C ATOM 1245 OG SER A 79 9.981 -9.981 -6.651 1.00 1.17 O ATOM 0 H SER A 79 7.619 -9.973 -5.729 1.00 0.18 H new ATOM 0 HA SER A 79 9.217 -7.682 -5.504 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.560 -9.316 -7.984 1.00 0.27 H new ATOM 0 HB3 SER A 79 9.944 -8.261 -7.782 1.00 0.27 H new ATOM 0 HG SER A 79 10.461 -10.480 -7.344 1.00 1.17 H new ATOM 1251 N ALA A 80 6.507 -7.333 -7.310 1.00 0.20 N ATOM 1252 CA ALA A 80 5.592 -6.385 -7.926 1.00 0.22 C ATOM 1253 C ALA A 80 4.867 -5.551 -6.870 1.00 0.18 C ATOM 1254 O ALA A 80 4.070 -4.676 -7.201 1.00 0.19 O ATOM 1255 CB ALA A 80 4.589 -7.117 -8.809 1.00 0.27 C ATOM 0 H ALA A 80 6.144 -8.285 -7.265 1.00 0.20 H new ATOM 0 HA ALA A 80 6.176 -5.705 -8.546 1.00 0.22 H new ATOM 0 HB1 ALA A 80 3.910 -6.396 -9.264 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.120 -7.659 -9.592 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.018 -7.821 -8.204 1.00 0.27 H new ATOM 1261 N LEU A 81 5.150 -5.824 -5.596 1.00 0.14 N ATOM 1262 CA LEU A 81 4.368 -5.287 -4.489 1.00 0.13 C ATOM 1263 C LEU A 81 4.613 -3.794 -4.229 1.00 0.12 C ATOM 1264 O LEU A 81 4.278 -3.300 -3.155 1.00 0.11 O ATOM 1265 CB LEU A 81 4.607 -6.083 -3.208 1.00 0.13 C ATOM 1266 CG LEU A 81 3.343 -6.648 -2.546 1.00 0.15 C ATOM 1267 CD1 LEU A 81 2.244 -5.600 -2.479 1.00 0.16 C ATOM 1268 CD2 LEU A 81 2.857 -7.878 -3.288 1.00 0.19 C ATOM 0 H LEU A 81 5.925 -6.421 -5.306 1.00 0.14 H new ATOM 0 HA LEU A 81 3.326 -5.388 -4.793 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.281 -6.910 -3.433 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.118 -5.441 -2.490 1.00 0.13 H new ATOM 0 HG LEU A 81 3.599 -6.935 -1.526 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.361 -6.029 -2.005 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.590 -4.746 -1.896 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.992 -5.272 -3.488 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.960 -8.264 -2.804 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.627 -7.613 -4.320 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.634 -8.642 -3.274 1.00 0.19 H new ATOM 1280 N GLY A 82 5.160 -3.053 -5.190 1.00 0.12 N ATOM 1281 CA GLY A 82 5.335 -1.634 -4.949 1.00 0.12 C ATOM 1282 C GLY A 82 6.742 -1.216 -4.604 1.00 0.11 C ATOM 1283 O GLY A 82 6.911 -0.367 -3.729 1.00 0.12 O ATOM 0 H GLY A 82 5.474 -3.394 -6.098 1.00 0.12 H new ATOM 0 HA2 GLY A 82 5.017 -1.088 -5.837 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.673 -1.334 -4.136 1.00 0.12 H new ATOM 1287 N MET A 83 7.766 -1.813 -5.235 1.00 0.13 N ATOM 1288 CA MET A 83 9.131 -1.393 -4.918 1.00 0.15 C ATOM 1289 C MET A 83 9.416 0.016 -5.447 1.00 0.15 C ATOM 1290 O MET A 83 10.025 0.210 -6.499 1.00 0.19 O ATOM 1291 CB MET A 83 10.160 -2.386 -5.487 1.00 0.20 C ATOM 1292 CG MET A 83 9.984 -2.725 -6.958 1.00 0.49 C ATOM 1293 SD MET A 83 11.210 -3.921 -7.523 1.00 0.97 S ATOM 1294 CE MET A 83 10.720 -4.140 -9.228 1.00 1.79 C ATOM 0 H MET A 83 7.680 -2.552 -5.933 1.00 0.13 H new ATOM 0 HA MET A 83 9.222 -1.378 -3.832 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.158 -1.973 -5.342 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.109 -3.309 -4.909 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.984 -3.126 -7.121 1.00 0.49 H new ATOM 0 HG3 MET A 83 10.064 -1.815 -7.552 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.388 -4.854 -9.710 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.698 -4.516 -9.267 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.775 -3.184 -9.748 1.00 1.79 H new ATOM 1304 N GLN A 84 8.991 0.960 -4.626 1.00 0.14 N ATOM 1305 CA GLN A 84 9.281 2.387 -4.657 1.00 0.15 C ATOM 1306 C GLN A 84 8.881 2.779 -3.253 1.00 0.16 C ATOM 1307 O GLN A 84 8.471 1.874 -2.531 1.00 0.16 O ATOM 1308 CB GLN A 84 8.471 3.183 -5.705 1.00 0.16 C ATOM 1309 CG GLN A 84 8.563 2.654 -7.134 1.00 0.61 C ATOM 1310 CD GLN A 84 9.930 2.849 -7.775 1.00 1.08 C ATOM 1311 OE1 GLN A 84 10.958 2.909 -7.100 1.00 1.79 O ATOM 1312 NE2 GLN A 84 9.949 2.920 -9.097 1.00 1.61 N ATOM 0 H GLN A 84 8.376 0.727 -3.846 1.00 0.14 H new ATOM 0 HA GLN A 84 10.311 2.601 -4.941 1.00 0.15 H new ATOM 0 HB2 GLN A 84 7.424 3.189 -5.403 1.00 0.16 H new ATOM 0 HB3 GLN A 84 8.812 4.218 -5.695 1.00 0.16 H new ATOM 0 HG2 GLN A 84 8.320 1.591 -7.134 1.00 0.61 H new ATOM 0 HG3 GLN A 84 7.811 3.153 -7.745 1.00 0.61 H new ATOM 0 HE21 GLN A 84 9.077 2.867 -9.623 1.00 1.61 H new ATOM 0 HE22 GLN A 84 10.836 3.028 -9.589 1.00 1.61 H new ATOM 1321 N ASN A 85 9.007 4.017 -2.785 1.00 0.17 N ATOM 1322 CA ASN A 85 8.492 4.265 -1.444 1.00 0.17 C ATOM 1323 C ASN A 85 7.013 3.907 -1.440 1.00 0.16 C ATOM 1324 O ASN A 85 6.214 4.626 -1.985 1.00 0.18 O ATOM 1325 CB ASN A 85 8.661 5.739 -1.032 1.00 0.19 C ATOM 1326 CG ASN A 85 7.994 6.714 -1.992 1.00 0.28 C ATOM 1327 OD1 ASN A 85 7.887 6.456 -3.189 1.00 1.22 O ATOM 1328 ND2 ASN A 85 7.545 7.842 -1.472 1.00 0.99 N ATOM 0 H ASN A 85 9.428 4.810 -3.270 1.00 0.17 H new ATOM 0 HA ASN A 85 9.051 3.659 -0.731 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.245 5.880 -0.035 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.724 5.972 -0.969 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.091 8.534 -2.069 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.652 8.021 -0.474 1.00 0.99 H new ATOM 1335 N GLY A 86 6.682 2.796 -0.797 1.00 0.15 N ATOM 1336 CA GLY A 86 5.311 2.319 -0.649 1.00 0.14 C ATOM 1337 C GLY A 86 4.513 2.131 -1.951 1.00 0.12 C ATOM 1338 O GLY A 86 3.601 1.303 -1.994 1.00 0.13 O ATOM 0 H GLY A 86 7.371 2.188 -0.354 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.335 1.366 -0.121 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.771 3.021 -0.014 1.00 0.14 H new ATOM 1342 N CYS A 87 4.877 2.868 -3.002 1.00 0.11 N ATOM 1343 CA CYS A 87 4.125 2.933 -4.247 1.00 0.12 C ATOM 1344 C CYS A 87 2.779 3.618 -4.019 1.00 0.12 C ATOM 1345 O CYS A 87 2.648 4.516 -3.185 1.00 0.17 O ATOM 1346 CB CYS A 87 3.916 1.539 -4.795 1.00 0.23 C ATOM 1347 SG CYS A 87 3.467 1.467 -6.546 1.00 0.94 S ATOM 0 H CYS A 87 5.718 3.445 -3.007 1.00 0.11 H new ATOM 0 HA CYS A 87 4.692 3.517 -4.971 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.831 0.965 -4.646 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.134 1.050 -4.214 1.00 0.23 H new ATOM 0 HG CYS A 87 3.915 0.362 -7.064 1.00 0.94 H new ATOM 1353 N ARG A 88 1.780 3.203 -4.766 1.00 0.12 N ATOM 1354 CA ARG A 88 0.450 3.752 -4.628 1.00 0.13 C ATOM 1355 C ARG A 88 -0.565 2.620 -4.526 1.00 0.12 C ATOM 1356 O ARG A 88 -0.349 1.551 -5.093 1.00 0.15 O ATOM 1357 CB ARG A 88 0.126 4.696 -5.799 1.00 0.19 C ATOM 1358 CG ARG A 88 0.436 4.135 -7.186 1.00 0.82 C ATOM 1359 CD ARG A 88 1.898 4.338 -7.589 1.00 0.41 C ATOM 1360 NE ARG A 88 2.159 3.860 -8.946 1.00 0.90 N ATOM 1361 CZ ARG A 88 3.378 3.713 -9.468 1.00 1.29 C ATOM 1362 NH1 ARG A 88 4.454 4.037 -8.760 1.00 1.26 N ATOM 1363 NH2 ARG A 88 3.522 3.249 -10.701 1.00 2.07 N ATOM 0 H ARG A 88 1.866 2.481 -5.481 1.00 0.12 H new ATOM 0 HA ARG A 88 0.400 4.342 -3.713 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.932 4.954 -5.756 1.00 0.19 H new ATOM 0 HB3 ARG A 88 0.685 5.622 -5.665 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.202 3.070 -7.204 1.00 0.82 H new ATOM 0 HG3 ARG A 88 -0.210 4.615 -7.921 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.150 5.396 -7.522 1.00 0.41 H new ATOM 0 HD3 ARG A 88 2.545 3.811 -6.887 1.00 0.41 H new ATOM 0 HE ARG A 88 1.358 3.624 -9.531 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.351 4.400 -7.812 1.00 1.26 H new ATOM 0 HH12 ARG A 88 5.384 3.923 -9.164 1.00 1.26 H new ATOM 0 HH21 ARG A 88 2.700 3.004 -11.253 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.455 3.137 -11.098 1.00 2.07 H new ATOM 1377 N VAL A 89 -1.628 2.847 -3.750 1.00 0.11 N ATOM 1378 CA VAL A 89 -2.737 1.897 -3.579 1.00 0.11 C ATOM 1379 C VAL A 89 -4.026 2.649 -3.277 1.00 0.11 C ATOM 1380 O VAL A 89 -4.180 3.245 -2.211 1.00 0.12 O ATOM 1381 CB VAL A 89 -2.489 0.879 -2.441 1.00 0.13 C ATOM 1382 CG1 VAL A 89 -1.478 -0.175 -2.844 1.00 0.20 C ATOM 1383 CG2 VAL A 89 -2.041 1.582 -1.176 1.00 0.18 C ATOM 0 H VAL A 89 -1.747 3.707 -3.214 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.815 1.345 -4.516 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.436 0.376 -2.244 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.330 -0.872 -2.019 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.845 -0.717 -3.715 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.530 0.305 -3.088 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.873 0.845 -0.390 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.115 2.124 -1.369 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.812 2.283 -0.857 1.00 0.18 H new ATOM 1393 N MET A 90 -4.960 2.650 -4.203 1.00 0.11 N ATOM 1394 CA MET A 90 -6.204 3.344 -3.931 1.00 0.12 C ATOM 1395 C MET A 90 -7.416 2.444 -4.049 1.00 0.12 C ATOM 1396 O MET A 90 -7.578 1.690 -5.002 1.00 0.13 O ATOM 1397 CB MET A 90 -6.361 4.623 -4.729 1.00 0.16 C ATOM 1398 CG MET A 90 -7.244 4.504 -5.955 1.00 0.68 C ATOM 1399 SD MET A 90 -7.281 6.018 -6.937 1.00 1.30 S ATOM 1400 CE MET A 90 -8.303 5.506 -8.316 1.00 1.92 C ATOM 0 H MET A 90 -4.892 2.199 -5.115 1.00 0.11 H new ATOM 0 HA MET A 90 -6.143 3.646 -2.886 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.772 5.393 -4.076 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.374 4.963 -5.042 1.00 0.16 H new ATOM 0 HG2 MET A 90 -6.888 3.682 -6.576 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.258 4.253 -5.644 1.00 0.68 H new ATOM 0 HE1 MET A 90 -7.770 5.686 -9.250 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.530 4.444 -8.226 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.232 6.077 -8.312 1.00 1.92 H new ATOM 1410 N LEU A 91 -8.249 2.527 -3.048 1.00 0.12 N ATOM 1411 CA LEU A 91 -9.431 1.707 -2.961 1.00 0.12 C ATOM 1412 C LEU A 91 -10.657 2.526 -3.276 1.00 0.14 C ATOM 1413 O LEU A 91 -10.850 3.620 -2.743 1.00 0.15 O ATOM 1414 CB LEU A 91 -9.555 1.033 -1.579 1.00 0.11 C ATOM 1415 CG LEU A 91 -9.736 1.924 -0.316 1.00 0.12 C ATOM 1416 CD1 LEU A 91 -8.942 3.217 -0.382 1.00 0.15 C ATOM 1417 CD2 LEU A 91 -11.210 2.215 -0.051 1.00 0.14 C ATOM 0 H LEU A 91 -8.128 3.168 -2.264 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.344 0.911 -3.700 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.402 0.348 -1.622 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.662 0.426 -1.428 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.335 1.349 0.519 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.110 3.794 0.527 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.880 2.988 -0.475 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.265 3.799 -1.246 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.304 2.839 0.838 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.638 2.736 -0.907 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.743 1.278 0.107 1.00 0.14 H new ATOM 1429 N ILE A 92 -11.472 2.020 -4.164 1.00 0.18 N ATOM 1430 CA ILE A 92 -12.725 2.663 -4.434 1.00 0.23 C ATOM 1431 C ILE A 92 -13.846 1.807 -3.902 1.00 0.23 C ATOM 1432 O ILE A 92 -14.094 0.701 -4.384 1.00 0.26 O ATOM 1433 CB ILE A 92 -12.932 2.935 -5.938 1.00 0.31 C ATOM 1434 CG1 ILE A 92 -11.731 3.695 -6.509 1.00 0.42 C ATOM 1435 CG2 ILE A 92 -14.217 3.721 -6.157 1.00 0.37 C ATOM 1436 CD1 ILE A 92 -11.783 3.884 -8.009 1.00 0.51 C ATOM 0 H ILE A 92 -11.292 1.175 -4.705 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.720 3.631 -3.934 1.00 0.23 H new ATOM 0 HB ILE A 92 -13.016 1.982 -6.460 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.672 4.673 -6.031 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.818 3.158 -6.252 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.353 3.907 -7.222 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.063 3.148 -5.778 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.157 4.672 -5.627 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.899 4.430 -8.338 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.810 2.910 -8.498 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.677 4.448 -8.274 1.00 0.51 H new ATOM 1448 N GLY A 93 -14.489 2.327 -2.886 1.00 0.24 N ATOM 1449 CA GLY A 93 -15.584 1.636 -2.260 1.00 0.28 C ATOM 1450 C GLY A 93 -15.947 2.281 -0.949 1.00 0.30 C ATOM 1451 O GLY A 93 -16.800 3.164 -0.904 1.00 0.45 O ATOM 0 H GLY A 93 -14.269 3.234 -2.474 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.449 1.640 -2.924 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.314 0.593 -2.094 1.00 0.28 H new ATOM 1455 N GLU A 94 -15.282 1.864 0.114 1.00 0.25 N ATOM 1456 CA GLU A 94 -15.520 2.443 1.420 1.00 0.26 C ATOM 1457 C GLU A 94 -14.273 2.439 2.287 1.00 0.24 C ATOM 1458 O GLU A 94 -13.690 1.392 2.559 1.00 0.35 O ATOM 1459 CB GLU A 94 -16.634 1.688 2.138 1.00 0.32 C ATOM 1460 CG GLU A 94 -17.983 2.381 2.067 1.00 0.98 C ATOM 1461 CD GLU A 94 -19.059 1.622 2.808 1.00 1.53 C ATOM 1462 OE1 GLU A 94 -19.147 1.757 4.043 1.00 2.17 O ATOM 1463 OE2 GLU A 94 -19.822 0.877 2.154 1.00 2.02 O ATOM 0 H GLU A 94 -14.575 1.129 0.097 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.815 3.480 1.258 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.724 0.692 1.705 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.357 1.557 3.184 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -17.896 3.384 2.485 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -18.276 2.495 1.023 1.00 0.98 H new ATOM 1470 N LYS A 95 -13.857 3.624 2.694 1.00 0.25 N ATOM 1471 CA LYS A 95 -12.948 3.763 3.806 1.00 0.26 C ATOM 1472 C LYS A 95 -13.795 4.056 5.029 1.00 0.39 C ATOM 1473 O LYS A 95 -13.779 5.167 5.558 1.00 0.48 O ATOM 1474 CB LYS A 95 -11.918 4.878 3.561 1.00 0.28 C ATOM 1475 CG LYS A 95 -10.707 4.433 2.748 1.00 0.27 C ATOM 1476 CD LYS A 95 -9.575 5.452 2.804 1.00 0.55 C ATOM 1477 CE LYS A 95 -8.280 4.868 2.252 1.00 0.35 C ATOM 1478 NZ LYS A 95 -7.895 3.633 2.984 1.00 1.19 N ATOM 0 H LYS A 95 -14.139 4.506 2.266 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.371 2.848 3.943 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.407 5.704 3.044 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.577 5.262 4.523 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.350 3.474 3.124 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.004 4.278 1.711 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -9.851 6.338 2.231 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.422 5.773 3.834 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -8.401 4.643 1.192 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -7.482 5.606 2.332 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -7.019 3.247 2.577 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.740 3.858 3.988 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -8.656 2.929 2.900 1.00 1.19 H new