USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= -0.228 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.759 K(o=2,f=1.3) USER MOD Set 2.2: A 22 THR OG1 : rot 90:sc= 1.21 USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -0.0745 F(o=-0.89,f=-0.074) USER MOD Set 3.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 15 GLN : amide:sc= -0.833 K(o=-0.83,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 38:sc=-0.00313 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 68:sc= 0.789 USER MOD Single : A 54 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 77 CYS SG : rot 180:sc= -0.708 USER MOD Single : A 79 CYS SG : rot -170:sc= -0.113 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.595 12.356 3.945 1.00 0.00 N ATOM 77 CA GLU A 8 6.223 12.867 3.924 1.00 0.00 C ATOM 78 C GLU A 8 5.190 11.740 3.754 1.00 0.00 C ATOM 79 O GLU A 8 3.997 11.987 3.887 1.00 0.00 O ATOM 80 CB GLU A 8 5.996 13.930 2.832 1.00 0.00 C ATOM 81 CG GLU A 8 6.562 15.321 3.154 1.00 0.00 C ATOM 82 CD GLU A 8 7.783 15.667 2.305 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.901 15.274 2.706 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.626 16.345 1.256 1.00 0.00 O ATOM 0 HA GLU A 8 6.080 13.340 4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.445 13.577 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.925 14.022 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.787 16.071 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.833 15.364 4.209 1.00 0.00 H new ATOM 91 N TYR A 9 5.610 10.497 3.514 1.00 0.00 N ATOM 92 CA TYR A 9 4.722 9.362 3.312 1.00 0.00 C ATOM 93 C TYR A 9 3.759 9.199 4.491 1.00 0.00 C ATOM 94 O TYR A 9 2.591 8.870 4.292 1.00 0.00 O ATOM 95 CB TYR A 9 5.537 8.077 3.137 1.00 0.00 C ATOM 96 CG TYR A 9 6.821 8.157 2.327 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.912 8.934 1.157 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.930 7.401 2.743 1.00 0.00 C ATOM 99 CE1 TYR A 9 8.088 8.908 0.387 1.00 0.00 C ATOM 100 CE2 TYR A 9 9.115 7.369 1.989 1.00 0.00 C ATOM 101 CZ TYR A 9 9.180 8.103 0.784 1.00 0.00 C ATOM 102 OH TYR A 9 10.281 8.026 -0.014 1.00 0.00 O ATOM 0 H TYR A 9 6.598 10.251 3.454 1.00 0.00 H new ATOM 0 HA TYR A 9 4.139 9.550 2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.790 7.703 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.892 7.332 2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.079 9.550 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.870 6.834 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.157 9.505 -0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.963 6.792 2.326 1.00 0.00 H new ATOM 0 HH TYR A 9 10.943 7.434 0.399 1.00 0.00 H new ATOM 112 N GLY A 10 4.235 9.465 5.711 1.00 0.00 N ATOM 113 CA GLY A 10 3.441 9.355 6.919 1.00 0.00 C ATOM 114 C GLY A 10 2.397 10.464 7.054 1.00 0.00 C ATOM 115 O GLY A 10 1.471 10.323 7.848 1.00 0.00 O ATOM 0 H GLY A 10 5.195 9.766 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.938 8.388 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.103 9.380 7.785 1.00 0.00 H new ATOM 119 N ARG A 11 2.486 11.546 6.274 1.00 0.00 N ATOM 120 CA ARG A 11 1.459 12.588 6.230 1.00 0.00 C ATOM 121 C ARG A 11 0.238 12.111 5.448 1.00 0.00 C ATOM 122 O ARG A 11 -0.790 12.792 5.470 1.00 0.00 O ATOM 123 CB ARG A 11 2.029 13.883 5.612 1.00 0.00 C ATOM 124 CG ARG A 11 3.414 14.229 6.172 1.00 0.00 C ATOM 125 CD ARG A 11 3.949 15.617 5.808 1.00 0.00 C ATOM 126 NE ARG A 11 3.714 16.575 6.898 1.00 0.00 N ATOM 127 CZ ARG A 11 4.167 17.828 6.986 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.897 18.380 6.013 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.872 18.542 8.060 1.00 0.00 N ATOM 0 H ARG A 11 3.276 11.723 5.654 1.00 0.00 H new ATOM 0 HA ARG A 11 1.145 12.803 7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.094 13.769 4.530 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.344 14.708 5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.377 14.147 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.125 13.482 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.017 15.555 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.464 15.970 4.898 1.00 0.00 H new ATOM 0 HE ARG A 11 3.140 16.245 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.121 17.842 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.230 19.340 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.307 18.134 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.210 19.501 8.144 1.00 0.00 H new ATOM 143 N TYR A 12 0.359 10.988 4.732 1.00 0.00 N ATOM 144 CA TYR A 12 -0.625 10.481 3.797 1.00 0.00 C ATOM 145 C TYR A 12 -1.126 9.107 4.242 1.00 0.00 C ATOM 146 O TYR A 12 -2.333 8.851 4.210 1.00 0.00 O ATOM 147 CB TYR A 12 0.004 10.409 2.396 1.00 0.00 C ATOM 148 CG TYR A 12 0.886 11.582 1.993 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.527 12.909 2.292 1.00 0.00 C ATOM 150 CD2 TYR A 12 2.108 11.331 1.348 1.00 0.00 C ATOM 151 CE1 TYR A 12 1.359 13.970 1.903 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.938 12.389 0.937 1.00 0.00 C ATOM 153 CZ TYR A 12 2.561 13.720 1.203 1.00 0.00 C ATOM 154 OH TYR A 12 3.371 14.734 0.796 1.00 0.00 O ATOM 0 H TYR A 12 1.183 10.390 4.798 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.483 11.153 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.598 9.497 2.334 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.799 10.317 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.392 13.112 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.414 10.312 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.079 14.986 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.862 12.182 0.419 1.00 0.00 H new ATOM 0 HH TYR A 12 4.151 14.364 0.332 1.00 0.00 H new ATOM 164 N PHE A 13 -0.213 8.211 4.631 1.00 0.00 N ATOM 165 CA PHE A 13 -0.525 6.934 5.250 1.00 0.00 C ATOM 166 C PHE A 13 -0.444 7.067 6.768 1.00 0.00 C ATOM 167 O PHE A 13 0.635 7.273 7.328 1.00 0.00 O ATOM 168 CB PHE A 13 0.440 5.846 4.790 1.00 0.00 C ATOM 169 CG PHE A 13 0.480 5.588 3.301 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.608 4.957 2.681 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.598 5.962 2.535 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.611 4.745 1.297 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.615 5.715 1.155 1.00 0.00 C ATOM 174 CZ PHE A 13 0.508 5.115 0.535 1.00 0.00 C ATOM 0 H PHE A 13 0.789 8.365 4.518 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.534 6.651 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.444 6.114 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.176 4.916 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.449 4.632 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.443 6.439 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.470 4.299 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.480 5.987 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.517 4.938 -0.530 1.00 0.00 H new ATOM 184 N GLU A 14 -1.576 6.875 7.431 1.00 0.00 N ATOM 185 CA GLU A 14 -1.682 6.680 8.872 1.00 0.00 C ATOM 186 C GLU A 14 -1.443 5.205 9.208 1.00 0.00 C ATOM 187 O GLU A 14 -1.473 4.349 8.328 1.00 0.00 O ATOM 188 CB GLU A 14 -3.076 7.134 9.333 1.00 0.00 C ATOM 189 CG GLU A 14 -3.053 8.094 10.531 1.00 0.00 C ATOM 190 CD GLU A 14 -3.988 9.280 10.292 1.00 0.00 C ATOM 191 OE1 GLU A 14 -5.218 9.118 10.489 1.00 0.00 O ATOM 192 OE2 GLU A 14 -3.487 10.355 9.890 1.00 0.00 O ATOM 0 H GLU A 14 -2.482 6.850 6.962 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.929 7.272 9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.583 7.621 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.665 6.255 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.354 7.563 11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.037 8.453 10.696 1.00 0.00 H new ATOM 199 N GLN A 15 -1.253 4.893 10.486 1.00 0.00 N ATOM 200 CA GLN A 15 -0.903 3.538 10.951 1.00 0.00 C ATOM 201 C GLN A 15 -2.105 2.594 10.995 1.00 0.00 C ATOM 202 O GLN A 15 -1.924 1.386 11.030 1.00 0.00 O ATOM 203 CB GLN A 15 -0.242 3.622 12.336 1.00 0.00 C ATOM 204 CG GLN A 15 0.440 2.301 12.707 1.00 0.00 C ATOM 205 CD GLN A 15 1.298 2.324 13.972 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.502 2.585 13.949 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.744 1.910 15.094 1.00 0.00 N ATOM 0 H GLN A 15 -1.336 5.573 11.241 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.204 3.119 10.227 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.492 4.428 12.343 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.993 3.869 13.086 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.330 1.539 12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.068 1.991 11.871 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.252 1.692 15.121 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.311 1.808 15.935 1.00 0.00 H new ATOM 216 N LEU A 16 -3.322 3.122 10.996 1.00 0.00 N ATOM 217 CA LEU A 16 -4.566 2.369 11.167 1.00 0.00 C ATOM 218 C LEU A 16 -5.534 2.690 10.023 1.00 0.00 C ATOM 219 O LEU A 16 -6.738 2.440 10.127 1.00 0.00 O ATOM 220 CB LEU A 16 -5.188 2.673 12.547 1.00 0.00 C ATOM 221 CG LEU A 16 -4.229 2.562 13.754 1.00 0.00 C ATOM 222 CD1 LEU A 16 -4.927 3.011 15.040 1.00 0.00 C ATOM 223 CD2 LEU A 16 -3.718 1.134 13.942 1.00 0.00 C ATOM 0 H LEU A 16 -3.480 4.122 10.874 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.352 1.301 11.132 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.600 3.682 12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.024 1.991 12.706 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.380 3.213 13.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.236 2.925 15.878 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.247 4.048 14.938 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.797 2.380 15.221 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.047 1.098 14.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.562 0.465 14.112 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.180 0.819 13.048 1.00 0.00 H new ATOM 235 N GLN A 17 -5.022 3.319 8.960 1.00 0.00 N ATOM 236 CA GLN A 17 -5.767 3.571 7.732 1.00 0.00 C ATOM 237 C GLN A 17 -6.011 2.250 6.991 1.00 0.00 C ATOM 238 O GLN A 17 -5.437 1.216 7.332 1.00 0.00 O ATOM 239 CB GLN A 17 -5.003 4.601 6.868 1.00 0.00 C ATOM 240 CG GLN A 17 -5.766 5.932 6.765 1.00 0.00 C ATOM 241 CD GLN A 17 -4.969 7.069 6.119 1.00 0.00 C ATOM 242 OE1 GLN A 17 -3.967 6.781 5.303 1.00 0.00 O flip ATOM 243 NE2 GLN A 17 -5.268 8.238 6.323 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.065 3.670 8.933 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.744 3.996 7.963 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.018 4.778 7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.845 4.193 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.678 5.771 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.071 6.241 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.039 8.465 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.746 8.985 5.865 1.00 0.00 H new ATOM 252 N LYS A 18 -6.826 2.292 5.933 1.00 0.00 N ATOM 253 CA LYS A 18 -6.953 1.198 4.971 1.00 0.00 C ATOM 254 C LYS A 18 -6.303 1.627 3.660 1.00 0.00 C ATOM 255 O LYS A 18 -6.341 2.818 3.345 1.00 0.00 O ATOM 256 CB LYS A 18 -8.428 0.823 4.743 1.00 0.00 C ATOM 257 CG LYS A 18 -8.928 -0.296 5.667 1.00 0.00 C ATOM 258 CD LYS A 18 -9.447 0.107 7.060 1.00 0.00 C ATOM 259 CE LYS A 18 -10.921 0.542 6.984 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.668 0.307 8.238 1.00 0.00 N ATOM 0 H LYS A 18 -7.420 3.093 5.720 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.452 0.314 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.046 1.708 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.559 0.512 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.729 -0.825 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.113 -1.007 5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.345 -0.732 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.842 0.922 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.967 1.602 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.410 0.003 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.652 0.621 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.653 -0.708 8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.224 0.842 9.012 1.00 0.00 H new ATOM 274 N VAL A 19 -5.758 0.677 2.898 1.00 0.00 N ATOM 275 CA VAL A 19 -5.094 0.917 1.619 1.00 0.00 C ATOM 276 C VAL A 19 -5.391 -0.198 0.620 1.00 0.00 C ATOM 277 O VAL A 19 -5.695 -1.325 1.016 1.00 0.00 O ATOM 278 CB VAL A 19 -3.570 1.028 1.807 1.00 0.00 C ATOM 279 CG1 VAL A 19 -3.158 2.380 2.393 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.956 -0.099 2.652 1.00 0.00 C ATOM 0 H VAL A 19 -5.768 -0.308 3.163 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.483 1.857 1.227 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.170 0.931 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.075 2.412 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.476 3.179 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.630 2.514 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.880 0.054 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.402 -0.092 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.150 -1.059 2.174 1.00 0.00 H new ATOM 290 N ASN A 20 -5.249 0.113 -0.671 1.00 0.00 N ATOM 291 CA ASN A 20 -5.389 -0.832 -1.767 1.00 0.00 C ATOM 292 C ASN A 20 -4.201 -1.797 -1.850 1.00 0.00 C ATOM 293 O ASN A 20 -3.099 -1.432 -1.434 1.00 0.00 O ATOM 294 CB ASN A 20 -5.435 -0.030 -3.074 1.00 0.00 C ATOM 295 CG ASN A 20 -5.739 -0.942 -4.245 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.010 -0.976 -5.233 1.00 0.00 O ATOM 297 ND2 ASN A 20 -6.772 -1.742 -4.115 1.00 0.00 N ATOM 0 H ASN A 20 -5.027 1.058 -0.985 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.294 -1.416 -1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.196 0.748 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.480 0.471 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.989 -2.418 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.357 -1.688 -3.281 1.00 0.00 H new ATOM 304 N LEU A 21 -4.376 -2.964 -2.490 1.00 0.00 N ATOM 305 CA LEU A 21 -3.374 -4.022 -2.641 1.00 0.00 C ATOM 306 C LEU A 21 -3.311 -4.457 -4.108 1.00 0.00 C ATOM 307 O LEU A 21 -3.604 -5.608 -4.433 1.00 0.00 O ATOM 308 CB LEU A 21 -3.724 -5.248 -1.767 1.00 0.00 C ATOM 309 CG LEU A 21 -3.943 -5.022 -0.268 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.288 -6.387 0.345 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.702 -4.457 0.430 1.00 0.00 C ATOM 0 H LEU A 21 -5.262 -3.203 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.410 -3.628 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.629 -5.700 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.924 -5.979 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.740 -4.291 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.453 -6.273 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.192 -6.777 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.464 -7.080 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.913 -4.316 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.871 -5.153 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.437 -3.499 -0.017 1.00 0.00 H new ATOM 323 N THR A 22 -2.970 -3.552 -5.025 1.00 0.00 N ATOM 324 CA THR A 22 -2.773 -3.951 -6.412 1.00 0.00 C ATOM 325 C THR A 22 -1.395 -4.599 -6.537 1.00 0.00 C ATOM 326 O THR A 22 -0.378 -3.917 -6.419 1.00 0.00 O ATOM 327 CB THR A 22 -3.021 -2.765 -7.340 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.422 -2.577 -7.398 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.503 -2.968 -8.764 1.00 0.00 C ATOM 0 H THR A 22 -2.828 -2.560 -4.836 1.00 0.00 H new ATOM 0 HA THR A 22 -3.497 -4.702 -6.726 1.00 0.00 H new ATOM 0 HB THR A 22 -2.481 -1.908 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.699 -1.961 -6.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.718 -2.081 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.426 -3.136 -8.739 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.995 -3.832 -9.210 1.00 0.00 H new ATOM 337 N VAL A 23 -1.372 -5.912 -6.762 1.00 0.00 N ATOM 338 CA VAL A 23 -0.158 -6.731 -6.896 1.00 0.00 C ATOM 339 C VAL A 23 -0.157 -7.366 -8.283 1.00 0.00 C ATOM 340 O VAL A 23 -1.184 -7.926 -8.661 1.00 0.00 O ATOM 341 CB VAL A 23 -0.112 -7.861 -5.841 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.280 -8.503 -5.847 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.384 -7.440 -4.397 1.00 0.00 C ATOM 0 H VAL A 23 -2.227 -6.459 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 23 0.709 -6.088 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.916 -8.535 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.316 -9.300 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.485 -8.917 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.029 -7.749 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.326 -8.313 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.359 -6.705 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.379 -7.001 -4.327 1.00 0.00 H new ATOM 353 N ARG A 24 0.953 -7.334 -9.036 1.00 0.00 N ATOM 354 CA ARG A 24 1.023 -8.063 -10.304 1.00 0.00 C ATOM 355 C ARG A 24 0.864 -9.564 -10.060 1.00 0.00 C ATOM 356 O ARG A 24 1.345 -10.091 -9.060 1.00 0.00 O ATOM 357 CB ARG A 24 2.331 -7.733 -11.046 1.00 0.00 C ATOM 358 CG ARG A 24 3.532 -8.590 -10.606 1.00 0.00 C ATOM 359 CD ARG A 24 4.872 -8.040 -11.103 1.00 0.00 C ATOM 360 NE ARG A 24 5.461 -8.796 -12.225 1.00 0.00 N ATOM 361 CZ ARG A 24 6.610 -9.481 -12.190 1.00 0.00 C ATOM 362 NH1 ARG A 24 7.159 -9.820 -11.030 1.00 0.00 N ATOM 363 NH2 ARG A 24 7.221 -9.837 -13.312 1.00 0.00 N ATOM 0 H ARG A 24 1.799 -6.819 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 24 0.200 -7.745 -10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.174 -7.868 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.571 -6.681 -10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.550 -8.649 -9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.402 -9.606 -10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.734 -7.004 -11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.579 -8.034 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 24 4.946 -8.796 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.705 -9.558 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.035 -10.342 -11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.815 -9.589 -14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.096 -10.359 -13.272 1.00 0.00 H new ATOM 377 N LEU A 25 0.267 -10.266 -11.015 1.00 0.00 N ATOM 378 CA LEU A 25 0.194 -11.719 -11.093 1.00 0.00 C ATOM 379 C LEU A 25 0.581 -12.136 -12.508 1.00 0.00 C ATOM 380 O LEU A 25 -0.264 -12.466 -13.346 1.00 0.00 O ATOM 381 CB LEU A 25 -1.215 -12.214 -10.742 1.00 0.00 C ATOM 382 CG LEU A 25 -1.627 -12.008 -9.273 1.00 0.00 C ATOM 383 CD1 LEU A 25 -3.053 -12.548 -9.148 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.712 -12.710 -8.260 1.00 0.00 C ATOM 0 H LEU A 25 -0.204 -9.812 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 25 0.879 -12.166 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.934 -11.702 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.280 -13.276 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.550 -10.947 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.399 -12.427 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.711 -11.997 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.066 -13.605 -9.414 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.071 -12.515 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.719 -13.784 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.304 -12.330 -8.364 1.00 0.00 H new ATOM 436 N SER A 30 -3.427 -9.235 -12.236 1.00 0.00 N ATOM 437 CA SER A 30 -3.046 -8.702 -10.945 1.00 0.00 C ATOM 438 C SER A 30 -4.087 -9.170 -9.920 1.00 0.00 C ATOM 439 O SER A 30 -5.169 -9.635 -10.299 1.00 0.00 O ATOM 440 CB SER A 30 -2.965 -7.172 -11.032 1.00 0.00 C ATOM 441 OG SER A 30 -1.916 -6.747 -11.893 1.00 0.00 O ATOM 0 HA SER A 30 -2.064 -9.060 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.915 -6.778 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.807 -6.759 -10.036 1.00 0.00 H new ATOM 0 HG SER A 30 -1.859 -7.351 -12.663 1.00 0.00 H new ATOM 447 N PHE A 31 -3.765 -9.049 -8.631 1.00 0.00 N ATOM 448 CA PHE A 31 -4.730 -9.112 -7.546 1.00 0.00 C ATOM 449 C PHE A 31 -5.123 -7.669 -7.204 1.00 0.00 C ATOM 450 O PHE A 31 -4.370 -6.731 -7.487 1.00 0.00 O ATOM 451 CB PHE A 31 -4.127 -9.896 -6.365 1.00 0.00 C ATOM 452 CG PHE A 31 -4.926 -9.835 -5.075 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.092 -10.612 -4.935 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.500 -9.012 -4.011 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.823 -10.569 -3.736 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.230 -8.972 -2.808 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.396 -9.747 -2.678 1.00 0.00 C ATOM 0 H PHE A 31 -2.807 -8.902 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.637 -9.651 -7.822 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.021 -10.940 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.124 -9.516 -6.171 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.424 -11.240 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.610 -8.410 -4.120 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.715 -11.168 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.897 -8.350 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.966 -9.711 -1.761 1.00 0.00 H new ATOM 467 N ASP A 32 -6.294 -7.486 -6.596 1.00 0.00 N ATOM 468 CA ASP A 32 -6.695 -6.273 -5.896 1.00 0.00 C ATOM 469 C ASP A 32 -7.504 -6.737 -4.700 1.00 0.00 C ATOM 470 O ASP A 32 -8.473 -7.489 -4.840 1.00 0.00 O ATOM 471 CB ASP A 32 -7.512 -5.329 -6.788 1.00 0.00 C ATOM 472 CG ASP A 32 -8.103 -4.104 -6.076 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.977 -4.230 -5.186 1.00 0.00 O ATOM 474 OD2 ASP A 32 -7.687 -2.971 -6.414 1.00 0.00 O ATOM 0 H ASP A 32 -7.015 -8.208 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.822 -5.695 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.876 -4.984 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.327 -5.896 -7.238 1.00 0.00 H new ATOM 479 N GLY A 33 -7.081 -6.294 -3.529 1.00 0.00 N ATOM 480 CA GLY A 33 -7.821 -6.364 -2.282 1.00 0.00 C ATOM 481 C GLY A 33 -7.519 -5.102 -1.496 1.00 0.00 C ATOM 482 O GLY A 33 -6.883 -4.181 -2.018 1.00 0.00 O ATOM 0 H GLY A 33 -6.167 -5.854 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.890 -6.447 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.530 -7.248 -1.714 1.00 0.00 H new ATOM 486 N THR A 34 -7.963 -5.037 -0.250 1.00 0.00 N ATOM 487 CA THR A 34 -7.628 -3.953 0.658 1.00 0.00 C ATOM 488 C THR A 34 -6.839 -4.557 1.830 1.00 0.00 C ATOM 489 O THR A 34 -6.895 -5.767 2.063 1.00 0.00 O ATOM 490 CB THR A 34 -8.931 -3.252 1.089 1.00 0.00 C ATOM 491 OG1 THR A 34 -9.834 -3.034 0.012 1.00 0.00 O ATOM 492 CG2 THR A 34 -8.676 -1.860 1.665 1.00 0.00 C ATOM 0 H THR A 34 -8.572 -5.743 0.163 1.00 0.00 H new ATOM 0 HA THR A 34 -7.002 -3.191 0.193 1.00 0.00 H new ATOM 0 HB THR A 34 -9.353 -3.934 1.827 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.641 -2.589 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.624 -1.407 1.954 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.031 -1.941 2.540 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.191 -1.238 0.913 1.00 0.00 H new ATOM 500 N ALA A 35 -6.128 -3.740 2.609 1.00 0.00 N ATOM 501 CA ALA A 35 -5.787 -4.105 3.972 1.00 0.00 C ATOM 502 C ALA A 35 -5.921 -2.912 4.888 1.00 0.00 C ATOM 503 O ALA A 35 -5.824 -1.766 4.445 1.00 0.00 O ATOM 504 CB ALA A 35 -4.369 -4.689 4.083 1.00 0.00 C ATOM 0 H ALA A 35 -5.782 -2.827 2.315 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.489 -4.881 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.162 -4.946 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.295 -5.584 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.644 -3.951 3.740 1.00 0.00 H new ATOM 510 N ALA A 36 -6.104 -3.194 6.176 1.00 0.00 N ATOM 511 CA ALA A 36 -5.792 -2.253 7.231 1.00 0.00 C ATOM 512 C ALA A 36 -4.278 -2.247 7.422 1.00 0.00 C ATOM 513 O ALA A 36 -3.638 -3.302 7.365 1.00 0.00 O ATOM 514 CB ALA A 36 -6.488 -2.675 8.522 1.00 0.00 C ATOM 0 H ALA A 36 -6.473 -4.084 6.510 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.139 -1.254 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.250 -1.964 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.566 -2.695 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.145 -3.668 8.812 1.00 0.00 H new ATOM 520 N ILE A 37 -3.734 -1.060 7.658 1.00 0.00 N ATOM 521 CA ILE A 37 -2.382 -0.842 8.143 1.00 0.00 C ATOM 522 C ILE A 37 -2.390 -1.205 9.639 1.00 0.00 C ATOM 523 O ILE A 37 -3.446 -1.198 10.289 1.00 0.00 O ATOM 524 CB ILE A 37 -1.983 0.630 7.836 1.00 0.00 C ATOM 525 CG1 ILE A 37 -2.091 0.926 6.315 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.552 0.981 8.285 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.863 2.388 5.920 1.00 0.00 C ATOM 0 H ILE A 37 -4.245 -0.190 7.510 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.630 -1.462 7.655 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.683 1.242 8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.366 0.306 5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.080 0.623 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.339 2.022 8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.462 0.835 9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.159 0.335 7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.959 2.492 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.604 3.018 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.863 2.696 6.226 1.00 0.00 H new ATOM 539 N THR A 38 -1.214 -1.513 10.183 1.00 0.00 N ATOM 540 CA THR A 38 -1.024 -1.823 11.594 1.00 0.00 C ATOM 541 C THR A 38 0.212 -1.169 12.209 1.00 0.00 C ATOM 542 O THR A 38 0.234 -0.931 13.418 1.00 0.00 O ATOM 543 CB THR A 38 -0.950 -3.351 11.783 1.00 0.00 C ATOM 544 OG1 THR A 38 0.031 -3.917 10.926 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.276 -4.057 11.493 1.00 0.00 C ATOM 0 H THR A 38 -0.350 -1.554 9.642 1.00 0.00 H new ATOM 0 HA THR A 38 -1.885 -1.408 12.119 1.00 0.00 H new ATOM 0 HB THR A 38 -0.693 -3.501 12.832 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.064 -4.887 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.158 -5.130 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.045 -3.678 12.167 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.572 -3.866 10.461 1.00 0.00 H new ATOM 553 N SER A 39 1.271 -0.903 11.438 1.00 0.00 N ATOM 554 CA SER A 39 2.529 -0.384 11.975 1.00 0.00 C ATOM 555 C SER A 39 3.237 0.376 10.860 1.00 0.00 C ATOM 556 O SER A 39 3.423 -0.193 9.784 1.00 0.00 O ATOM 557 CB SER A 39 3.395 -1.535 12.503 1.00 0.00 C ATOM 558 OG SER A 39 2.633 -2.456 13.262 1.00 0.00 O ATOM 0 H SER A 39 1.279 -1.041 10.427 1.00 0.00 H new ATOM 0 HA SER A 39 2.341 0.289 12.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.863 -2.052 11.666 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.199 -1.133 13.119 1.00 0.00 H new ATOM 0 HG SER A 39 3.215 -3.177 13.582 1.00 0.00 H new ATOM 564 N LEU A 40 3.586 1.653 11.048 1.00 0.00 N ATOM 565 CA LEU A 40 4.108 2.467 9.953 1.00 0.00 C ATOM 566 C LEU A 40 5.175 3.415 10.466 1.00 0.00 C ATOM 567 O LEU A 40 4.939 4.123 11.440 1.00 0.00 O ATOM 568 CB LEU A 40 2.956 3.227 9.275 1.00 0.00 C ATOM 569 CG LEU A 40 3.248 3.564 7.802 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.945 3.933 7.104 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.275 4.669 7.557 1.00 0.00 C ATOM 0 H LEU A 40 3.516 2.139 11.942 1.00 0.00 H new ATOM 0 HA LEU A 40 4.572 1.820 9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.048 2.627 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.764 4.150 9.823 1.00 0.00 H new ATOM 0 HG LEU A 40 3.700 2.661 7.392 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.147 4.173 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.253 3.092 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.501 4.799 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.399 4.819 6.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.929 5.595 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.230 4.382 7.996 1.00 0.00 H new ATOM 583 N LYS A 41 6.337 3.445 9.810 1.00 0.00 N ATOM 584 CA LYS A 41 7.368 4.437 10.024 1.00 0.00 C ATOM 585 C LYS A 41 8.018 4.730 8.681 1.00 0.00 C ATOM 586 O LYS A 41 8.818 3.921 8.193 1.00 0.00 O ATOM 587 CB LYS A 41 8.383 3.896 11.031 1.00 0.00 C ATOM 588 CG LYS A 41 8.199 4.429 12.464 1.00 0.00 C ATOM 589 CD LYS A 41 7.672 3.389 13.454 1.00 0.00 C ATOM 590 CE LYS A 41 8.520 2.110 13.498 1.00 0.00 C ATOM 591 NZ LYS A 41 8.260 1.358 14.734 1.00 0.00 N ATOM 0 H LYS A 41 6.584 2.757 9.098 1.00 0.00 H new ATOM 0 HA LYS A 41 6.955 5.360 10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.315 2.808 11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.387 4.147 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.155 4.807 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.511 5.274 12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.639 3.830 14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.648 3.129 13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.293 1.487 12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.578 2.366 13.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.843 0.497 14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.499 1.948 15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.254 1.096 14.776 1.00 0.00 H new ATOM 605 N GLY A 42 7.692 5.872 8.086 1.00 0.00 N ATOM 606 CA GLY A 42 8.210 6.298 6.800 1.00 0.00 C ATOM 607 C GLY A 42 7.994 5.249 5.716 1.00 0.00 C ATOM 608 O GLY A 42 6.880 4.761 5.556 1.00 0.00 O ATOM 0 H GLY A 42 7.043 6.542 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.725 7.228 6.505 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.275 6.509 6.891 1.00 0.00 H new ATOM 612 N SER A 43 9.032 4.915 4.942 1.00 0.00 N ATOM 613 CA SER A 43 8.970 3.968 3.821 1.00 0.00 C ATOM 614 C SER A 43 8.902 2.510 4.299 1.00 0.00 C ATOM 615 O SER A 43 9.473 1.604 3.690 1.00 0.00 O ATOM 616 CB SER A 43 10.133 4.247 2.853 1.00 0.00 C ATOM 617 OG SER A 43 9.675 4.530 1.570 1.00 0.00 O ATOM 0 H SER A 43 9.964 5.306 5.081 1.00 0.00 H new ATOM 0 HA SER A 43 8.041 4.120 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.722 5.086 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.796 3.382 2.821 1.00 0.00 H new ATOM 0 HG SER A 43 9.209 5.392 1.572 1.00 0.00 H new ATOM 623 N LEU A 44 8.188 2.263 5.395 1.00 0.00 N ATOM 624 CA LEU A 44 7.719 0.959 5.795 1.00 0.00 C ATOM 625 C LEU A 44 6.346 1.126 6.411 1.00 0.00 C ATOM 626 O LEU A 44 6.231 1.749 7.468 1.00 0.00 O ATOM 627 CB LEU A 44 8.667 0.322 6.803 1.00 0.00 C ATOM 628 CG LEU A 44 8.339 -1.164 7.012 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.007 -2.003 5.923 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.847 -1.589 8.385 1.00 0.00 C ATOM 0 H LEU A 44 7.916 3.000 6.046 1.00 0.00 H new ATOM 0 HA LEU A 44 7.674 0.304 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.695 0.425 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.598 0.850 7.754 1.00 0.00 H new ATOM 0 HG LEU A 44 7.261 -1.317 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.770 -3.056 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.641 -1.689 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.087 -1.864 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.620 -2.643 8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.925 -1.437 8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.359 -0.991 9.155 1.00 0.00 H new ATOM 642 N ALA A 45 5.344 0.520 5.788 1.00 0.00 N ATOM 643 CA ALA A 45 4.110 0.143 6.450 1.00 0.00 C ATOM 644 C ALA A 45 4.091 -1.371 6.589 1.00 0.00 C ATOM 645 O ALA A 45 4.711 -2.072 5.790 1.00 0.00 O ATOM 646 CB ALA A 45 2.899 0.633 5.646 1.00 0.00 C ATOM 0 H ALA A 45 5.369 0.275 4.798 1.00 0.00 H new ATOM 0 HA ALA A 45 4.056 0.605 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.981 0.342 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.936 1.719 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.918 0.187 4.652 1.00 0.00 H new ATOM 652 N TRP A 46 3.335 -1.848 7.566 1.00 0.00 N ATOM 653 CA TRP A 46 2.885 -3.224 7.723 1.00 0.00 C ATOM 654 C TRP A 46 1.359 -3.249 7.688 1.00 0.00 C ATOM 655 O TRP A 46 0.713 -2.277 8.102 1.00 0.00 O ATOM 656 CB TRP A 46 3.400 -3.804 9.044 1.00 0.00 C ATOM 657 CG TRP A 46 4.763 -4.415 8.979 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.948 -3.778 9.127 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.083 -5.815 8.733 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.977 -4.700 9.017 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.498 -5.966 8.755 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.315 -6.977 8.505 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.124 -7.200 8.528 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.936 -8.219 8.277 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.338 -8.336 8.276 1.00 0.00 C ATOM 0 H TRP A 46 2.998 -1.247 8.318 1.00 0.00 H new ATOM 0 HA TRP A 46 3.279 -3.835 6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.409 -3.011 9.792 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.696 -4.560 9.390 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.072 -2.720 9.303 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.966 -4.470 9.117 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.237 -6.912 8.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.201 -7.276 8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.328 -9.094 8.100 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.805 -9.290 8.083 1.00 0.00 H new ATOM 676 N LEU A 47 0.810 -4.346 7.162 1.00 0.00 N ATOM 677 CA LEU A 47 -0.607 -4.587 6.961 1.00 0.00 C ATOM 678 C LEU A 47 -1.051 -5.832 7.726 1.00 0.00 C ATOM 679 O LEU A 47 -0.228 -6.679 8.091 1.00 0.00 O ATOM 680 CB LEU A 47 -0.860 -4.854 5.467 1.00 0.00 C ATOM 681 CG LEU A 47 -0.565 -3.733 4.458 1.00 0.00 C ATOM 682 CD1 LEU A 47 -1.210 -2.399 4.838 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.915 -3.500 4.153 1.00 0.00 C ATOM 0 H LEU A 47 1.382 -5.131 6.849 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.159 -3.715 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.265 -5.722 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.907 -5.134 5.354 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.023 -4.115 3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.964 -1.649 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.292 -2.520 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.834 -2.076 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.014 -2.689 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.438 -3.234 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.349 -4.410 3.739 1.00 0.00 H new ATOM 695 N GLU A 48 -2.368 -6.014 7.859 1.00 0.00 N ATOM 696 CA GLU A 48 -2.974 -7.295 8.215 1.00 0.00 C ATOM 697 C GLU A 48 -4.330 -7.459 7.494 1.00 0.00 C ATOM 698 O GLU A 48 -5.378 -7.562 8.139 1.00 0.00 O ATOM 699 CB GLU A 48 -3.066 -7.445 9.743 1.00 0.00 C ATOM 700 CG GLU A 48 -3.391 -8.901 10.096 1.00 0.00 C ATOM 701 CD GLU A 48 -3.850 -9.091 11.541 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.284 -8.451 12.463 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.788 -9.895 11.747 1.00 0.00 O ATOM 0 H GLU A 48 -3.048 -5.267 7.721 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.339 -8.112 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.124 -7.149 10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.837 -6.783 10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.170 -9.264 9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.508 -9.515 9.920 1.00 0.00 H new ATOM 710 N LEU A 49 -4.266 -7.547 6.160 1.00 0.00 N ATOM 711 CA LEU A 49 -5.331 -7.840 5.196 1.00 0.00 C ATOM 712 C LEU A 49 -6.651 -7.097 5.406 1.00 0.00 C ATOM 713 O LEU A 49 -6.733 -6.152 6.193 1.00 0.00 O ATOM 714 CB LEU A 49 -5.552 -9.372 5.093 1.00 0.00 C ATOM 715 CG LEU A 49 -5.269 -9.920 3.682 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.648 -11.400 3.654 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.036 -9.256 2.524 1.00 0.00 C ATOM 0 H LEU A 49 -3.377 -7.400 5.682 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.967 -7.447 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.906 -9.877 5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.580 -9.606 5.370 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.212 -9.714 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.454 -11.806 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.054 -11.942 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.706 -11.509 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.753 -9.727 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.108 -9.376 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.791 -8.195 2.487 1.00 0.00 H new ATOM 729 N PHE A 50 -7.686 -7.463 4.647 1.00 0.00 N ATOM 730 CA PHE A 50 -9.077 -7.191 4.983 1.00 0.00 C ATOM 731 C PHE A 50 -9.817 -8.474 5.348 1.00 0.00 C ATOM 732 O PHE A 50 -9.215 -9.546 5.419 1.00 0.00 O ATOM 733 CB PHE A 50 -9.769 -6.361 3.886 1.00 0.00 C ATOM 734 CG PHE A 50 -10.442 -5.135 4.451 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.741 -4.315 5.350 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.770 -4.820 4.121 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.377 -3.244 5.980 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.389 -3.696 4.696 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.705 -2.917 5.646 1.00 0.00 C ATOM 0 H PHE A 50 -7.574 -7.966 3.767 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.103 -6.569 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.034 -6.060 3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.508 -6.978 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.700 -4.515 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.316 -5.441 3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.850 -2.666 6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.395 -3.430 4.407 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.194 -2.076 6.115 1.00 0.00 H new ATOM 781 N GLN A 54 -9.097 -12.415 0.506 1.00 0.00 N ATOM 782 CA GLN A 54 -7.654 -12.630 0.532 1.00 0.00 C ATOM 783 C GLN A 54 -7.211 -13.141 -0.849 1.00 0.00 C ATOM 784 O GLN A 54 -8.024 -13.758 -1.550 1.00 0.00 O ATOM 785 CB GLN A 54 -7.298 -13.632 1.653 1.00 0.00 C ATOM 786 CG GLN A 54 -8.009 -14.988 1.551 1.00 0.00 C ATOM 787 CD GLN A 54 -7.843 -15.930 2.752 1.00 0.00 C ATOM 788 OE1 GLN A 54 -8.189 -17.102 2.656 1.00 0.00 O ATOM 789 NE2 GLN A 54 -7.369 -15.490 3.913 1.00 0.00 N ATOM 0 HA GLN A 54 -7.129 -11.699 0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.221 -13.800 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.541 -13.181 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.073 -14.807 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.645 -15.500 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.077 -14.517 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.297 -16.125 4.708 1.00 0.00 H new ATOM 798 N PRO A 55 -5.938 -12.946 -1.238 1.00 0.00 N ATOM 799 CA PRO A 55 -5.404 -13.508 -2.470 1.00 0.00 C ATOM 800 C PRO A 55 -5.305 -15.035 -2.367 1.00 0.00 C ATOM 801 O PRO A 55 -5.448 -15.589 -1.266 1.00 0.00 O ATOM 802 CB PRO A 55 -4.028 -12.859 -2.670 1.00 0.00 C ATOM 803 CG PRO A 55 -3.614 -12.408 -1.273 1.00 0.00 C ATOM 804 CD PRO A 55 -4.924 -12.194 -0.522 1.00 0.00 C ATOM 0 HA PRO A 55 -6.051 -13.305 -3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.312 -13.567 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.083 -12.017 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.996 -13.160 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.027 -11.490 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.841 -12.539 0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.181 -11.135 -0.484 1.00 0.00 H new ATOM 812 N PRO A 56 -5.028 -15.740 -3.478 1.00 0.00 N ATOM 813 CA PRO A 56 -4.713 -17.157 -3.405 1.00 0.00 C ATOM 814 C PRO A 56 -3.503 -17.395 -2.488 1.00 0.00 C ATOM 815 O PRO A 56 -2.649 -16.509 -2.347 1.00 0.00 O ATOM 816 CB PRO A 56 -4.446 -17.631 -4.836 1.00 0.00 C ATOM 817 CG PRO A 56 -4.510 -16.394 -5.729 1.00 0.00 C ATOM 818 CD PRO A 56 -4.946 -15.232 -4.839 1.00 0.00 C ATOM 0 HA PRO A 56 -5.539 -17.723 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.470 -18.110 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.187 -18.369 -5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.539 -16.192 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.217 -16.542 -6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.232 -14.411 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.911 -14.841 -5.162 1.00 0.00 H new ATOM 826 N PRO A 57 -3.386 -18.597 -1.899 1.00 0.00 N ATOM 827 CA PRO A 57 -2.184 -18.992 -1.181 1.00 0.00 C ATOM 828 C PRO A 57 -1.013 -19.041 -2.163 1.00 0.00 C ATOM 829 O PRO A 57 -1.205 -19.033 -3.383 1.00 0.00 O ATOM 830 CB PRO A 57 -2.497 -20.380 -0.618 1.00 0.00 C ATOM 831 CG PRO A 57 -3.452 -20.959 -1.656 1.00 0.00 C ATOM 832 CD PRO A 57 -4.280 -19.738 -2.051 1.00 0.00 C ATOM 0 HA PRO A 57 -1.909 -18.300 -0.385 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.597 -20.986 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.958 -20.322 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.919 -21.382 -2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.072 -21.754 -1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.639 -19.822 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.158 -19.636 -1.414 1.00 0.00 H new ATOM 840 N ASN A 58 0.211 -19.155 -1.649 1.00 0.00 N ATOM 841 CA ASN A 58 1.410 -19.472 -2.432 1.00 0.00 C ATOM 842 C ASN A 58 1.763 -18.440 -3.517 1.00 0.00 C ATOM 843 O ASN A 58 2.675 -18.675 -4.311 1.00 0.00 O ATOM 844 CB ASN A 58 1.257 -20.885 -3.044 1.00 0.00 C ATOM 845 CG ASN A 58 2.316 -21.842 -2.547 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.500 -21.707 -2.861 1.00 0.00 O ATOM 847 ND2 ASN A 58 1.925 -22.842 -1.775 1.00 0.00 N ATOM 0 H ASN A 58 0.403 -19.027 -0.655 1.00 0.00 H new ATOM 0 HA ASN A 58 2.250 -19.440 -1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.271 -21.279 -2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.313 -20.816 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.608 -23.517 -1.430 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.941 -22.939 -1.525 1.00 0.00 H new ATOM 854 N THR A 59 1.050 -17.313 -3.579 1.00 0.00 N ATOM 855 CA THR A 59 1.024 -16.402 -4.718 1.00 0.00 C ATOM 856 C THR A 59 1.768 -15.103 -4.394 1.00 0.00 C ATOM 857 O THR A 59 2.589 -14.644 -5.195 1.00 0.00 O ATOM 858 CB THR A 59 -0.452 -16.173 -5.100 1.00 0.00 C ATOM 859 OG1 THR A 59 -1.030 -17.399 -5.502 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.609 -15.199 -6.257 1.00 0.00 C ATOM 0 H THR A 59 0.456 -17.002 -2.810 1.00 0.00 H new ATOM 0 HA THR A 59 1.546 -16.830 -5.574 1.00 0.00 H new ATOM 0 HB THR A 59 -0.944 -15.759 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.270 -17.923 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.667 -15.073 -6.486 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.180 -14.235 -5.982 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.092 -15.589 -7.134 1.00 0.00 H new ATOM 868 N LEU A 60 1.485 -14.521 -3.224 1.00 0.00 N ATOM 869 CA LEU A 60 2.102 -13.282 -2.759 1.00 0.00 C ATOM 870 C LEU A 60 3.597 -13.516 -2.542 1.00 0.00 C ATOM 871 O LEU A 60 3.968 -14.553 -1.979 1.00 0.00 O ATOM 872 CB LEU A 60 1.471 -12.839 -1.428 1.00 0.00 C ATOM 873 CG LEU A 60 0.327 -11.826 -1.586 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.274 -11.526 -0.214 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.811 -10.485 -2.148 1.00 0.00 C ATOM 0 H LEU A 60 0.809 -14.907 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 60 1.944 -12.506 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.094 -13.718 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.246 -12.402 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.394 -12.271 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.086 -10.807 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.660 -12.447 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.495 -11.110 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.034 -9.803 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.552 -10.054 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.260 -10.642 -3.129 1.00 0.00 H new ATOM 887 N SER A 61 4.446 -12.565 -2.945 1.00 0.00 N ATOM 888 CA SER A 61 5.903 -12.700 -2.842 1.00 0.00 C ATOM 889 C SER A 61 6.590 -11.422 -2.342 1.00 0.00 C ATOM 890 O SER A 61 6.052 -10.323 -2.456 1.00 0.00 O ATOM 891 CB SER A 61 6.477 -13.083 -4.202 1.00 0.00 C ATOM 892 OG SER A 61 5.702 -14.054 -4.885 1.00 0.00 O ATOM 0 H SER A 61 4.143 -11.680 -3.352 1.00 0.00 H new ATOM 0 HA SER A 61 6.099 -13.480 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.554 -12.189 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.489 -13.465 -4.067 1.00 0.00 H new ATOM 0 HG SER A 61 6.119 -14.257 -5.749 1.00 0.00 H new ATOM 898 N GLU A 62 7.807 -11.555 -1.811 1.00 0.00 N ATOM 899 CA GLU A 62 8.482 -10.531 -0.995 1.00 0.00 C ATOM 900 C GLU A 62 9.018 -9.328 -1.772 1.00 0.00 C ATOM 901 O GLU A 62 9.454 -8.329 -1.202 1.00 0.00 O ATOM 902 CB GLU A 62 9.654 -11.130 -0.217 1.00 0.00 C ATOM 903 CG GLU A 62 9.229 -12.322 0.630 1.00 0.00 C ATOM 904 CD GLU A 62 10.085 -12.435 1.882 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.333 -12.376 1.816 1.00 0.00 O ATOM 906 OE2 GLU A 62 9.506 -12.663 2.962 1.00 0.00 O ATOM 0 H GLU A 62 8.369 -12.397 -1.937 1.00 0.00 H new ATOM 0 HA GLU A 62 7.694 -10.172 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.431 -11.441 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.090 -10.366 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.181 -12.218 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.313 -13.237 0.044 1.00 0.00 H new ATOM 913 N GLY A 63 8.986 -9.399 -3.088 1.00 0.00 N ATOM 914 CA GLY A 63 9.475 -8.393 -4.014 1.00 0.00 C ATOM 915 C GLY A 63 8.423 -8.132 -5.078 1.00 0.00 C ATOM 916 O GLY A 63 8.772 -7.685 -6.175 1.00 0.00 O ATOM 0 H GLY A 63 8.595 -10.209 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.703 -7.471 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.402 -8.730 -4.478 1.00 0.00 H new ATOM 920 N ALA A 64 7.151 -8.443 -4.770 1.00 0.00 N ATOM 921 CA ALA A 64 6.053 -8.124 -5.656 1.00 0.00 C ATOM 922 C ALA A 64 6.051 -6.606 -5.761 1.00 0.00 C ATOM 923 O ALA A 64 6.076 -5.937 -4.724 1.00 0.00 O ATOM 924 CB ALA A 64 4.722 -8.683 -5.121 1.00 0.00 C ATOM 0 H ALA A 64 6.873 -8.915 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 64 6.171 -8.581 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.917 -8.426 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.792 -9.767 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.514 -8.252 -4.142 1.00 0.00 H new ATOM 930 N GLU A 65 6.100 -6.065 -6.978 1.00 0.00 N ATOM 931 CA GLU A 65 5.773 -4.676 -7.183 1.00 0.00 C ATOM 932 C GLU A 65 4.286 -4.560 -6.881 1.00 0.00 C ATOM 933 O GLU A 65 3.470 -5.413 -7.255 1.00 0.00 O ATOM 934 CB GLU A 65 6.127 -4.173 -8.597 1.00 0.00 C ATOM 935 CG GLU A 65 5.496 -4.958 -9.753 1.00 0.00 C ATOM 936 CD GLU A 65 5.631 -4.248 -11.104 1.00 0.00 C ATOM 937 OE1 GLU A 65 6.769 -4.073 -11.591 1.00 0.00 O ATOM 938 OE2 GLU A 65 4.600 -3.954 -11.747 1.00 0.00 O ATOM 0 H GLU A 65 6.362 -6.572 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 65 6.365 -4.038 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.822 -3.130 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.211 -4.198 -8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.965 -5.940 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.440 -5.122 -9.539 1.00 0.00 H new ATOM 945 N VAL A 66 3.976 -3.510 -6.145 1.00 0.00 N ATOM 946 CA VAL A 66 2.635 -3.179 -5.714 1.00 0.00 C ATOM 947 C VAL A 66 2.406 -1.687 -5.920 1.00 0.00 C ATOM 948 O VAL A 66 3.370 -0.915 -6.023 1.00 0.00 O ATOM 949 CB VAL A 66 2.408 -3.619 -4.248 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.588 -5.134 -4.105 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.343 -2.931 -3.238 1.00 0.00 C ATOM 0 H VAL A 66 4.676 -2.843 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 66 1.903 -3.721 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 66 1.386 -3.318 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.424 -5.423 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.869 -5.648 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.599 -5.410 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.122 -3.292 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.379 -3.161 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.191 -1.852 -3.278 1.00 0.00 H new ATOM 961 N SER A 67 1.150 -1.258 -5.901 1.00 0.00 N ATOM 962 CA SER A 67 0.797 0.133 -5.681 1.00 0.00 C ATOM 963 C SER A 67 -0.128 0.215 -4.477 1.00 0.00 C ATOM 964 O SER A 67 -0.863 -0.731 -4.173 1.00 0.00 O ATOM 965 CB SER A 67 0.189 0.769 -6.933 1.00 0.00 C ATOM 966 OG SER A 67 -0.642 -0.117 -7.657 1.00 0.00 O ATOM 0 H SER A 67 0.346 -1.871 -6.039 1.00 0.00 H new ATOM 0 HA SER A 67 1.698 0.710 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.390 1.646 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.992 1.118 -7.583 1.00 0.00 H new ATOM 0 HG SER A 67 -1.003 0.343 -8.444 1.00 0.00 H new ATOM 972 N VAL A 68 -0.119 1.360 -3.805 1.00 0.00 N ATOM 973 CA VAL A 68 -0.880 1.632 -2.597 1.00 0.00 C ATOM 974 C VAL A 68 -1.702 2.877 -2.897 1.00 0.00 C ATOM 975 O VAL A 68 -1.194 3.771 -3.581 1.00 0.00 O ATOM 976 CB VAL A 68 0.056 1.901 -1.394 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.626 1.557 -0.074 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.452 1.268 -1.439 1.00 0.00 C ATOM 0 H VAL A 68 0.444 2.157 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.504 0.779 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 68 0.243 2.972 -1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.057 1.757 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.523 2.166 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.901 0.502 -0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.002 1.536 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.358 0.184 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.989 1.634 -2.314 1.00 0.00 H new ATOM 988 N SER A 69 -2.917 2.979 -2.364 1.00 0.00 N ATOM 989 CA SER A 69 -3.750 4.155 -2.532 1.00 0.00 C ATOM 990 C SER A 69 -4.605 4.342 -1.278 1.00 0.00 C ATOM 991 O SER A 69 -4.983 3.340 -0.660 1.00 0.00 O ATOM 992 CB SER A 69 -4.566 3.976 -3.822 1.00 0.00 C ATOM 993 OG SER A 69 -5.664 3.105 -3.680 1.00 0.00 O ATOM 0 H SER A 69 -3.348 2.244 -1.803 1.00 0.00 H new ATOM 0 HA SER A 69 -3.165 5.068 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.926 4.950 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.911 3.596 -4.606 1.00 0.00 H new ATOM 0 HG SER A 69 -6.140 3.037 -4.534 1.00 0.00 H new ATOM 999 N VAL A 70 -4.900 5.589 -0.886 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.842 5.909 0.182 1.00 0.00 C ATOM 1001 C VAL A 70 -6.325 7.359 0.048 1.00 0.00 C ATOM 1002 O VAL A 70 -5.567 8.243 -0.360 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.228 5.557 1.557 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.818 6.088 1.853 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.124 5.990 2.711 1.00 0.00 C ATOM 0 H VAL A 70 -4.480 6.415 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.739 5.295 0.096 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.144 4.473 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.510 5.768 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.119 5.696 1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.822 7.177 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.653 5.723 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.272 7.069 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.088 5.488 2.631 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.599 7.594 0.367 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.311 8.857 0.223 1.00 0.00 C ATOM 1017 C TRP A 71 -8.016 9.801 1.394 1.00 0.00 C ATOM 1018 O TRP A 71 -8.883 10.029 2.240 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.813 8.552 0.128 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.231 7.888 -1.143 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.512 6.576 -1.306 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.370 8.488 -2.462 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.841 6.331 -2.624 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.676 7.459 -3.393 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.227 9.797 -2.962 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.720 7.699 -4.769 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.311 10.061 -4.342 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.498 8.999 -5.248 1.00 0.00 C ATOM 0 H TRP A 71 -8.193 6.862 0.756 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.976 9.365 -0.681 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.095 7.915 0.966 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.368 9.484 0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.483 5.832 -0.524 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.164 5.432 -2.981 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.050 10.612 -2.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.923 6.892 -5.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.232 11.075 -4.705 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.471 9.185 -6.311 1.00 0.00 H new ATOM 1039 N THR A 72 -6.831 10.408 1.434 1.00 0.00 N ATOM 1040 CA THR A 72 -6.399 11.150 2.616 1.00 0.00 C ATOM 1041 C THR A 72 -6.674 12.640 2.410 1.00 0.00 C ATOM 1042 O THR A 72 -5.974 13.312 1.650 1.00 0.00 O ATOM 1043 CB THR A 72 -4.982 10.737 3.049 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.765 11.095 4.404 1.00 0.00 O ATOM 1045 CG2 THR A 72 -3.875 11.300 2.152 1.00 0.00 C ATOM 0 H THR A 72 -6.158 10.401 0.668 1.00 0.00 H new ATOM 0 HA THR A 72 -6.990 10.888 3.494 1.00 0.00 H new ATOM 0 HB THR A 72 -4.926 9.654 2.941 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.861 10.827 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.904 10.967 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.018 10.945 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.914 12.389 2.166 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.767 13.106 3.016 1.00 0.00 N ATOM 1054 CA GLY A 73 -8.094 14.499 3.314 1.00 0.00 C ATOM 1055 C GLY A 73 -7.844 15.506 2.200 1.00 0.00 C ATOM 1056 O GLY A 73 -7.485 16.649 2.505 1.00 0.00 O ATOM 0 H GLY A 73 -8.500 12.472 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.147 14.551 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.519 14.806 4.187 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.031 15.099 0.949 1.00 0.00 N ATOM 1061 CA GLY A 74 -7.587 15.832 -0.219 1.00 0.00 C ATOM 1062 C GLY A 74 -8.063 15.099 -1.459 1.00 0.00 C ATOM 1063 O GLY A 74 -8.938 15.609 -2.158 1.00 0.00 O ATOM 0 H GLY A 74 -8.508 14.227 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.985 16.847 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.500 15.916 -0.223 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.546 13.894 -1.694 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.973 12.932 -2.709 1.00 0.00 C ATOM 1069 C ALA A 75 -7.235 11.621 -2.450 1.00 0.00 C ATOM 1070 O ALA A 75 -6.692 11.389 -1.365 1.00 0.00 O ATOM 1071 CB ALA A 75 -7.718 13.417 -4.146 1.00 0.00 C ATOM 0 H ALA A 75 -6.764 13.540 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.052 12.801 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.057 12.658 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.265 14.344 -4.320 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.652 13.593 -4.287 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.242 10.729 -3.437 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.468 9.510 -3.434 1.00 0.00 C ATOM 1079 C LEU A 76 -5.023 9.884 -3.762 1.00 0.00 C ATOM 1080 O LEU A 76 -4.645 10.031 -4.931 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.070 8.548 -4.454 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.542 7.110 -4.339 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.345 6.367 -3.262 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.691 6.359 -5.668 1.00 0.00 C ATOM 0 H LEU A 76 -7.804 10.846 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.484 9.009 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.153 8.538 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.864 8.921 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.485 7.151 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.977 5.345 -3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.231 6.878 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.399 6.350 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.309 5.344 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.743 6.322 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.126 6.876 -6.444 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.219 10.087 -2.721 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.783 9.929 -2.864 1.00 0.00 C ATOM 1098 C CYS A 77 -2.579 8.442 -3.165 1.00 0.00 C ATOM 1099 O CYS A 77 -3.211 7.577 -2.545 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.016 10.412 -1.615 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.080 11.935 -1.932 1.00 0.00 S ATOM 0 H CYS A 77 -4.534 10.356 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.379 10.548 -3.665 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.721 10.583 -0.801 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.333 9.630 -1.285 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.458 12.295 -0.849 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.733 8.140 -4.151 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.307 6.776 -4.437 1.00 0.00 C ATOM 1109 C ARG A 78 0.182 6.791 -4.684 1.00 0.00 C ATOM 1110 O ARG A 78 0.770 7.842 -4.970 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.132 6.128 -5.572 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.559 6.200 -6.999 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.776 4.964 -7.497 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.015 4.761 -8.939 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.491 3.831 -9.752 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.546 3.071 -9.414 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.029 3.663 -10.954 1.00 0.00 N ATOM 0 H ARG A 78 -1.325 8.838 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.503 6.132 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.280 5.077 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.117 6.596 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.384 6.380 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.900 7.066 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.290 5.100 -7.312 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.085 4.079 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.665 5.415 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.982 3.181 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.906 2.378 -10.070 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.823 4.235 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.648 2.962 -11.590 1.00 0.00 H new ATOM 1131 N CYS A 79 0.799 5.630 -4.579 1.00 0.00 N ATOM 1132 CA CYS A 79 2.230 5.482 -4.753 1.00 0.00 C ATOM 1133 C CYS A 79 2.514 4.032 -5.122 1.00 0.00 C ATOM 1134 O CYS A 79 1.613 3.190 -5.131 1.00 0.00 O ATOM 1135 CB CYS A 79 2.925 5.908 -3.449 1.00 0.00 C ATOM 1136 SG CYS A 79 4.718 6.170 -3.640 1.00 0.00 S ATOM 0 H CYS A 79 0.317 4.756 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 79 2.615 6.114 -5.553 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.467 6.828 -3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.755 5.145 -2.689 1.00 0.00 H new ATOM 0 HG CYS A 79 5.262 6.319 -2.469 1.00 0.00 H new ATOM 1142 N ASP A 80 3.779 3.753 -5.403 1.00 0.00 N ATOM 1143 CA ASP A 80 4.274 2.478 -5.879 1.00 0.00 C ATOM 1144 C ASP A 80 5.184 1.924 -4.784 1.00 0.00 C ATOM 1145 O ASP A 80 5.700 2.675 -3.948 1.00 0.00 O ATOM 1146 CB ASP A 80 5.036 2.694 -7.192 1.00 0.00 C ATOM 1147 CG ASP A 80 4.168 3.160 -8.371 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.942 3.361 -8.220 1.00 0.00 O ATOM 1149 OD2 ASP A 80 4.761 3.384 -9.455 1.00 0.00 O ATOM 0 H ASP A 80 4.520 4.446 -5.299 1.00 0.00 H new ATOM 0 HA ASP A 80 3.469 1.772 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.821 3.431 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.528 1.761 -7.468 1.00 0.00 H new ATOM 1154 N GLY A 81 5.388 0.614 -4.728 1.00 0.00 N ATOM 1155 CA GLY A 81 6.150 -0.021 -3.662 1.00 0.00 C ATOM 1156 C GLY A 81 6.540 -1.430 -4.020 1.00 0.00 C ATOM 1157 O GLY A 81 6.233 -1.905 -5.118 1.00 0.00 O ATOM 0 H GLY A 81 5.028 -0.040 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.047 0.564 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.558 -0.029 -2.746 1.00 0.00 H new ATOM 1161 N ARG A 82 7.271 -2.079 -3.118 1.00 0.00 N ATOM 1162 CA ARG A 82 7.488 -3.518 -3.171 1.00 0.00 C ATOM 1163 C ARG A 82 7.137 -4.074 -1.802 1.00 0.00 C ATOM 1164 O ARG A 82 7.166 -3.315 -0.837 1.00 0.00 O ATOM 1165 CB ARG A 82 8.914 -3.908 -3.588 1.00 0.00 C ATOM 1166 CG ARG A 82 9.404 -3.235 -4.884 1.00 0.00 C ATOM 1167 CD ARG A 82 10.410 -2.108 -4.634 1.00 0.00 C ATOM 1168 NE ARG A 82 11.513 -2.127 -5.617 1.00 0.00 N ATOM 1169 CZ ARG A 82 11.867 -1.186 -6.505 1.00 0.00 C ATOM 1170 NH1 ARG A 82 11.199 -0.044 -6.578 1.00 0.00 N ATOM 1171 NH2 ARG A 82 12.881 -1.376 -7.341 1.00 0.00 N ATOM 0 H ARG A 82 7.729 -1.620 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 82 6.851 -3.946 -3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.599 -3.653 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.959 -4.990 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.863 -3.987 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.546 -2.835 -5.425 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.898 -1.147 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.819 -2.202 -3.628 1.00 0.00 H new ATOM 0 HE ARG A 82 12.084 -2.972 -5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.409 0.125 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.475 0.666 -7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.406 -2.250 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.135 -0.648 -8.009 1.00 0.00 H new ATOM 1185 N VAL A 83 6.845 -5.365 -1.709 1.00 0.00 N ATOM 1186 CA VAL A 83 6.467 -6.007 -0.452 1.00 0.00 C ATOM 1187 C VAL A 83 7.564 -5.860 0.625 1.00 0.00 C ATOM 1188 O VAL A 83 7.266 -5.756 1.802 1.00 0.00 O ATOM 1189 CB VAL A 83 6.058 -7.451 -0.786 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.984 -8.375 0.425 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.686 -7.441 -1.478 1.00 0.00 C ATOM 0 H VAL A 83 6.863 -6.001 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 83 5.612 -5.515 0.011 1.00 0.00 H new ATOM 0 HB VAL A 83 6.840 -7.844 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.689 -9.374 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.961 -8.423 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.249 -7.990 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.392 -8.463 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.946 -6.996 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.746 -6.857 -2.396 1.00 0.00 H new ATOM 1201 N GLU A 84 8.839 -5.797 0.241 1.00 0.00 N ATOM 1202 CA GLU A 84 10.030 -5.834 1.094 1.00 0.00 C ATOM 1203 C GLU A 84 10.171 -7.199 1.793 1.00 0.00 C ATOM 1204 O GLU A 84 11.160 -7.901 1.583 1.00 0.00 O ATOM 1205 CB GLU A 84 10.075 -4.655 2.089 1.00 0.00 C ATOM 1206 CG GLU A 84 11.525 -4.369 2.514 1.00 0.00 C ATOM 1207 CD GLU A 84 11.696 -3.408 3.700 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.323 -3.782 4.828 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.305 -2.317 3.521 1.00 0.00 O ATOM 0 H GLU A 84 9.086 -5.713 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 84 10.898 -5.712 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.642 -3.766 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.471 -4.887 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.003 -5.315 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.061 -3.959 1.658 1.00 0.00 H new ATOM 1216 N THR A 85 9.197 -7.578 2.623 1.00 0.00 N ATOM 1217 CA THR A 85 9.158 -8.776 3.444 1.00 0.00 C ATOM 1218 C THR A 85 7.691 -9.178 3.515 1.00 0.00 C ATOM 1219 O THR A 85 6.832 -8.358 3.851 1.00 0.00 O ATOM 1220 CB THR A 85 9.757 -8.452 4.823 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.152 -8.243 4.715 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.514 -9.545 5.867 1.00 0.00 C ATOM 0 H THR A 85 8.358 -7.011 2.743 1.00 0.00 H new ATOM 0 HA THR A 85 9.744 -9.601 3.039 1.00 0.00 H new ATOM 0 HB THR A 85 9.248 -7.549 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.521 -8.036 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.964 -9.249 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.442 -9.687 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.963 -10.478 5.528 1.00 0.00 H new ATOM 1230 N LEU A 86 7.398 -10.433 3.176 1.00 0.00 N ATOM 1231 CA LEU A 86 6.088 -11.013 3.416 1.00 0.00 C ATOM 1232 C LEU A 86 6.199 -11.807 4.716 1.00 0.00 C ATOM 1233 O LEU A 86 7.298 -12.216 5.102 1.00 0.00 O ATOM 1234 CB LEU A 86 5.679 -11.911 2.237 1.00 0.00 C ATOM 1235 CG LEU A 86 4.152 -12.082 2.131 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.595 -11.030 1.166 1.00 0.00 C ATOM 1237 CD2 LEU A 86 3.760 -13.460 1.611 1.00 0.00 C ATOM 0 H LEU A 86 8.060 -11.068 2.731 1.00 0.00 H new ATOM 0 HA LEU A 86 5.318 -10.247 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.059 -11.483 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.144 -12.890 2.351 1.00 0.00 H new ATOM 0 HG LEU A 86 3.740 -11.964 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.514 -11.145 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.827 -10.033 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.047 -11.162 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.674 -13.532 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.186 -13.609 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.139 -14.226 2.288 1.00 0.00 H new ATOM 1249 N ARG A 87 5.079 -12.041 5.394 1.00 0.00 N ATOM 1250 CA ARG A 87 5.046 -12.817 6.628 1.00 0.00 C ATOM 1251 C ARG A 87 4.067 -13.964 6.517 1.00 0.00 C ATOM 1252 O ARG A 87 4.413 -15.074 6.922 1.00 0.00 O ATOM 1253 CB ARG A 87 4.776 -11.873 7.807 1.00 0.00 C ATOM 1254 CG ARG A 87 4.435 -12.553 9.142 1.00 0.00 C ATOM 1255 CD ARG A 87 5.135 -11.868 10.318 1.00 0.00 C ATOM 1256 NE ARG A 87 6.540 -12.288 10.422 1.00 0.00 N ATOM 1257 CZ ARG A 87 6.973 -13.434 10.958 1.00 0.00 C ATOM 1258 NH1 ARG A 87 6.118 -14.340 11.419 1.00 0.00 N ATOM 1259 NH2 ARG A 87 8.277 -13.664 11.029 1.00 0.00 N ATOM 0 H ARG A 87 4.165 -11.696 5.101 1.00 0.00 H new ATOM 0 HA ARG A 87 6.013 -13.286 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.655 -11.245 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.953 -11.211 7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.356 -12.531 9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.730 -13.602 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.085 -10.786 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.612 -12.107 11.244 1.00 0.00 H new ATOM 0 HE ARG A 87 7.245 -11.650 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.114 -14.167 11.367 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.465 -15.209 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.937 -12.971 10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.620 -14.534 11.436 1.00 0.00 H new ATOM 1273 N ASP A 88 2.879 -13.715 5.976 1.00 0.00 N ATOM 1274 CA ASP A 88 1.851 -14.723 5.779 1.00 0.00 C ATOM 1275 C ASP A 88 1.012 -14.312 4.582 1.00 0.00 C ATOM 1276 O ASP A 88 1.123 -13.189 4.086 1.00 0.00 O ATOM 1277 CB ASP A 88 0.945 -14.830 7.024 1.00 0.00 C ATOM 1278 CG ASP A 88 1.666 -15.502 8.183 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.775 -16.751 8.165 1.00 0.00 O ATOM 1280 OD2 ASP A 88 2.171 -14.800 9.082 1.00 0.00 O ATOM 0 H ASP A 88 2.601 -12.787 5.657 1.00 0.00 H new ATOM 0 HA ASP A 88 2.319 -15.693 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.620 -13.834 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.048 -15.397 6.775 1.00 0.00 H new ATOM 1285 N ASP A 89 0.059 -15.158 4.201 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.963 -14.838 3.200 1.00 0.00 C ATOM 1287 C ASP A 89 -1.871 -13.675 3.642 1.00 0.00 C ATOM 1288 O ASP A 89 -2.762 -13.281 2.890 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.830 -16.068 2.879 1.00 0.00 C ATOM 1290 CG ASP A 89 -1.057 -17.203 2.212 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -0.285 -16.954 1.263 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.267 -18.371 2.619 1.00 0.00 O ATOM 0 H ASP A 89 -0.029 -16.100 4.583 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.426 -14.529 2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.278 -16.437 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.649 -15.765 2.227 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.677 -13.116 4.847 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.459 -12.022 5.410 1.00 0.00 C ATOM 1299 C ARG A 90 -1.604 -10.884 5.971 1.00 0.00 C ATOM 1300 O ARG A 90 -2.149 -9.817 6.234 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.443 -12.573 6.465 1.00 0.00 C ATOM 1302 CG ARG A 90 -2.789 -13.422 7.568 1.00 0.00 C ATOM 1303 CD ARG A 90 -3.748 -13.674 8.743 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.472 -14.942 8.558 1.00 0.00 N ATOM 1305 CZ ARG A 90 -4.066 -16.132 9.019 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -3.189 -16.216 10.015 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -4.529 -17.231 8.449 1.00 0.00 N ATOM 0 H ARG A 90 -0.939 -13.432 5.476 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.023 -11.574 4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.963 -11.736 6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.197 -13.176 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.469 -14.376 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.894 -12.917 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.187 -13.702 9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.459 -12.851 8.822 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.350 -14.912 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.816 -15.367 10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.890 -17.130 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.185 -17.164 7.671 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.230 -18.146 8.787 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.297 -11.071 6.169 1.00 0.00 N ATOM 1322 CA GLN A 91 0.583 -10.138 6.862 1.00 0.00 C ATOM 1323 C GLN A 91 1.832 -9.945 6.031 1.00 0.00 C ATOM 1324 O GLN A 91 2.396 -10.921 5.537 1.00 0.00 O ATOM 1325 CB GLN A 91 0.999 -10.735 8.207 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.185 -10.814 9.164 1.00 0.00 C ATOM 1327 CD GLN A 91 0.071 -11.708 10.372 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.654 -12.673 10.589 1.00 0.00 O ATOM 1329 NE2 GLN A 91 1.089 -11.413 11.168 1.00 0.00 N ATOM 0 H GLN A 91 0.190 -11.904 5.839 1.00 0.00 H new ATOM 0 HA GLN A 91 0.065 -9.191 7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.413 -11.732 8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.788 -10.127 8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.431 -9.810 9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.055 -11.187 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.677 -10.605 10.965 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.284 -11.994 11.983 1.00 0.00 H new ATOM 1338 N PHE A 92 2.279 -8.704 5.910 1.00 0.00 N ATOM 1339 CA PHE A 92 3.442 -8.323 5.123 1.00 0.00 C ATOM 1340 C PHE A 92 3.722 -6.837 5.307 1.00 0.00 C ATOM 1341 O PHE A 92 2.870 -6.093 5.813 1.00 0.00 O ATOM 1342 CB PHE A 92 3.202 -8.657 3.643 1.00 0.00 C ATOM 1343 CG PHE A 92 1.883 -8.191 3.067 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.745 -6.865 2.639 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.794 -9.076 2.954 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.539 -6.410 2.095 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.429 -8.614 2.437 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.560 -7.284 2.002 1.00 0.00 C ATOM 0 H PHE A 92 1.830 -7.912 6.370 1.00 0.00 H new ATOM 0 HA PHE A 92 4.313 -8.883 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.008 -8.218 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.269 -9.738 3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.579 -6.185 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.898 -10.106 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.452 -5.391 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.273 -9.285 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.499 -6.935 1.599 1.00 0.00 H new ATOM 1358 N ALA A 93 4.915 -6.429 4.879 1.00 0.00 N ATOM 1359 CA ALA A 93 5.347 -5.050 4.813 1.00 0.00 C ATOM 1360 C ALA A 93 5.072 -4.463 3.425 1.00 0.00 C ATOM 1361 O ALA A 93 4.645 -5.163 2.504 1.00 0.00 O ATOM 1362 CB ALA A 93 6.844 -4.995 5.135 1.00 0.00 C ATOM 0 H ALA A 93 5.629 -7.082 4.558 1.00 0.00 H new ATOM 0 HA ALA A 93 4.791 -4.455 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.188 -3.962 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.016 -5.391 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.395 -5.593 4.409 1.00 0.00 H new ATOM 1368 N ILE A 94 5.384 -3.179 3.259 1.00 0.00 N ATOM 1369 CA ILE A 94 5.653 -2.543 1.983 1.00 0.00 C ATOM 1370 C ILE A 94 6.768 -1.515 2.171 1.00 0.00 C ATOM 1371 O ILE A 94 6.678 -0.629 3.023 1.00 0.00 O ATOM 1372 CB ILE A 94 4.395 -1.882 1.379 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.542 -1.102 2.407 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.557 -2.932 0.644 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.366 -0.345 1.784 1.00 0.00 C ATOM 0 H ILE A 94 5.458 -2.533 4.045 1.00 0.00 H new ATOM 0 HA ILE A 94 5.966 -3.310 1.275 1.00 0.00 H new ATOM 0 HB ILE A 94 4.745 -1.132 0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.160 -1.800 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.181 -0.393 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.671 -2.459 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.150 -3.375 -0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.253 -3.710 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.815 0.177 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.741 0.378 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.704 -1.051 1.283 1.00 0.00 H new ATOM 1387 N ARG A 95 7.806 -1.608 1.343 1.00 0.00 N ATOM 1388 CA ARG A 95 8.701 -0.500 1.029 1.00 0.00 C ATOM 1389 C ARG A 95 7.926 0.425 0.102 1.00 0.00 C ATOM 1390 O ARG A 95 7.285 -0.052 -0.837 1.00 0.00 O ATOM 1391 CB ARG A 95 9.917 -1.058 0.261 1.00 0.00 C ATOM 1392 CG ARG A 95 11.057 -0.047 0.150 1.00 0.00 C ATOM 1393 CD ARG A 95 11.917 -0.160 1.405 1.00 0.00 C ATOM 1394 NE ARG A 95 12.824 0.980 1.580 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.773 1.033 2.523 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.047 -0.030 3.273 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.445 2.159 2.713 1.00 0.00 N ATOM 0 H ARG A 95 8.052 -2.473 0.863 1.00 0.00 H new ATOM 0 HA ARG A 95 9.038 0.017 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.279 -1.955 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.604 -1.358 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.655 -0.244 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.661 0.964 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.269 -0.239 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 95 12.501 -1.079 1.357 1.00 0.00 H new ATOM 0 HE ARG A 95 12.726 1.775 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.532 -0.899 3.133 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.772 0.024 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.238 2.979 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.169 2.206 3.430 1.00 0.00 H new ATOM 1411 N LEU A 96 8.021 1.734 0.303 1.00 0.00 N ATOM 1412 CA LEU A 96 7.413 2.721 -0.581 1.00 0.00 C ATOM 1413 C LEU A 96 8.521 3.220 -1.506 1.00 0.00 C ATOM 1414 O LEU A 96 9.646 3.448 -1.049 1.00 0.00 O ATOM 1415 CB LEU A 96 6.760 3.848 0.250 1.00 0.00 C ATOM 1416 CG LEU A 96 5.870 3.363 1.418 1.00 0.00 C ATOM 1417 CD1 LEU A 96 5.286 4.561 2.170 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.723 2.455 0.972 1.00 0.00 C ATOM 0 H LEU A 96 8.526 2.143 1.089 1.00 0.00 H new ATOM 0 HA LEU A 96 6.609 2.297 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.547 4.486 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.157 4.467 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 96 6.520 2.776 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.661 4.207 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.097 5.171 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.683 5.160 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.140 2.152 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.082 2.994 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.129 1.570 0.481 1.00 0.00 H new ATOM 1430 N VAL A 97 8.257 3.370 -2.804 1.00 0.00 N ATOM 1431 CA VAL A 97 9.272 3.776 -3.767 1.00 0.00 C ATOM 1432 C VAL A 97 8.751 4.846 -4.730 1.00 0.00 C ATOM 1433 O VAL A 97 7.640 4.761 -5.262 1.00 0.00 O ATOM 1434 CB VAL A 97 9.857 2.551 -4.495 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.702 1.684 -3.548 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.829 1.691 -5.247 1.00 0.00 C ATOM 0 H VAL A 97 7.336 3.213 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 97 10.090 4.243 -3.219 1.00 0.00 H new ATOM 0 HB VAL A 97 10.500 2.974 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.099 0.829 -4.095 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.527 2.276 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.080 1.332 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.336 0.854 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.088 1.311 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.333 2.297 -6.005 1.00 0.00 H new ATOM 1446 N GLY A 98 9.594 5.841 -5.001 1.00 0.00 N ATOM 1447 CA GLY A 98 9.319 6.963 -5.876 1.00 0.00 C ATOM 1448 C GLY A 98 9.023 8.182 -5.019 1.00 0.00 C ATOM 1449 O GLY A 98 9.948 8.750 -4.430 1.00 0.00 O ATOM 0 H GLY A 98 10.528 5.882 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.173 7.155 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.471 6.740 -6.523 1.00 0.00 H new ATOM 1453 N ARG A 99 7.755 8.594 -4.971 1.00 0.00 N ATOM 1454 CA ARG A 99 7.238 9.702 -4.170 1.00 0.00 C ATOM 1455 C ARG A 99 5.722 9.534 -4.134 1.00 0.00 C ATOM 1456 O ARG A 99 5.139 9.144 -5.146 1.00 0.00 O ATOM 1457 CB ARG A 99 7.625 11.032 -4.841 1.00 0.00 C ATOM 1458 CG ARG A 99 7.605 12.270 -3.938 1.00 0.00 C ATOM 1459 CD ARG A 99 6.220 12.923 -3.809 1.00 0.00 C ATOM 1460 NE ARG A 99 6.242 14.371 -4.077 1.00 0.00 N ATOM 1461 CZ ARG A 99 5.199 15.203 -3.967 1.00 0.00 C ATOM 1462 NH1 ARG A 99 4.027 14.768 -3.518 1.00 0.00 N ATOM 1463 NH2 ARG A 99 5.321 16.474 -4.330 1.00 0.00 N ATOM 0 H ARG A 99 7.024 8.139 -5.519 1.00 0.00 H new ATOM 0 HA ARG A 99 7.647 9.706 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.626 10.928 -5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.947 11.205 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.958 11.990 -2.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.308 13.005 -4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.531 12.441 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.835 12.750 -2.804 1.00 0.00 H new ATOM 0 HE ARG A 99 7.130 14.776 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.914 13.790 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.240 15.412 -3.439 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.210 16.818 -4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.526 17.107 -4.246 1.00 0.00 H new ATOM 1477 N VAL A 100 5.073 9.828 -3.012 1.00 0.00 N ATOM 1478 CA VAL A 100 3.620 9.702 -2.899 1.00 0.00 C ATOM 1479 C VAL A 100 2.988 10.988 -3.428 1.00 0.00 C ATOM 1480 O VAL A 100 3.453 12.068 -3.069 1.00 0.00 O ATOM 1481 CB VAL A 100 3.215 9.448 -1.434 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.698 9.231 -1.313 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.940 8.258 -0.781 1.00 0.00 C ATOM 0 H VAL A 100 5.531 10.157 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 100 3.268 8.853 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 100 3.518 10.347 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.438 9.054 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.174 10.117 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.405 8.368 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.600 8.145 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.719 7.347 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.015 8.437 -0.791 1.00 0.00 H new ATOM 1493 N ARG A 101 1.943 10.907 -4.254 1.00 0.00 N ATOM 1494 CA ARG A 101 1.272 12.085 -4.805 1.00 0.00 C ATOM 1495 C ARG A 101 -0.197 11.787 -5.076 1.00 0.00 C ATOM 1496 O ARG A 101 -0.570 10.626 -5.275 1.00 0.00 O ATOM 1497 CB ARG A 101 1.977 12.565 -6.090 1.00 0.00 C ATOM 1498 CG ARG A 101 2.435 11.441 -7.038 1.00 0.00 C ATOM 1499 CD ARG A 101 2.599 11.908 -8.489 1.00 0.00 C ATOM 1500 NE ARG A 101 3.500 13.066 -8.594 1.00 0.00 N ATOM 1501 CZ ARG A 101 3.494 14.003 -9.545 1.00 0.00 C ATOM 1502 NH1 ARG A 101 2.706 13.914 -10.610 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.274 15.059 -9.403 1.00 0.00 N ATOM 0 H ARG A 101 1.538 10.022 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 101 1.329 12.886 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.301 13.225 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.846 13.160 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.384 11.038 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.710 10.627 -7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.989 11.088 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.623 12.169 -8.899 1.00 0.00 H new ATOM 0 HE ARG A 101 4.204 13.163 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.083 13.114 -10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.724 14.646 -11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.867 15.148 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.284 15.786 -10.119 1.00 0.00 H new