USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 173:sc= -1.18 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -2.41 X(o=-4.2,f=-4.2) USER MOD Set 1.3: A 62 CYS SG : rot 137:sc= 0.0517 USER MOD Set 1.4: A 65 CYS SG : rot -49:sc= -0.692 USER MOD Set 2.1: A 34 SER OG : rot -42:sc= 0.833 USER MOD Set 2.2: A 40 SER OG : rot 171:sc= -0.153 USER MOD Set 3.1: A 22 CYS SG : rot 70:sc= 1.56 USER MOD Set 3.2: A 25 CYS SG : rot -65:sc= -0.238 USER MOD Set 3.3: A 42 CYS SG : rot 76:sc= 1.08 USER MOD Set 3.4: A 45 CYS SG : rot 126:sc= -0.0324 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 120:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.31) USER MOD Single : A 47 THR OG1 : rot 82:sc= 0.937 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.805 F(o=-2.3!,f=-0.81) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.056) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.064 USER MOD Single : A 73 ASN : amide:sc= -0.727 X(o=-0.73,f=-0.67!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 30.614 -1.777 -19.059 1.00 0.00 N ATOM 31 CA GLY A 4 30.741 -3.089 -19.665 1.00 0.00 C ATOM 32 C GLY A 4 29.398 -3.712 -19.988 1.00 0.00 C ATOM 33 O GLY A 4 28.375 -3.026 -20.003 1.00 0.00 O ATOM 0 HA2 GLY A 4 31.329 -3.008 -20.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.290 -3.746 -18.990 1.00 0.00 H new ATOM 37 N SER A 5 29.398 -5.016 -20.247 1.00 0.00 N ATOM 38 CA SER A 5 28.171 -5.730 -20.577 1.00 0.00 C ATOM 39 C SER A 5 28.301 -7.214 -20.247 1.00 0.00 C ATOM 40 O SER A 5 29.273 -7.864 -20.632 1.00 0.00 O ATOM 41 CB SER A 5 27.834 -5.553 -22.059 1.00 0.00 C ATOM 42 OG SER A 5 26.468 -5.835 -22.308 1.00 0.00 O ATOM 0 H SER A 5 30.235 -5.599 -20.235 1.00 0.00 H new ATOM 0 HA SER A 5 27.364 -5.311 -19.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.060 -4.532 -22.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.460 -6.213 -22.659 1.00 0.00 H new ATOM 0 HG SER A 5 26.277 -5.713 -23.262 1.00 0.00 H new ATOM 48 N SER A 6 27.314 -7.743 -19.531 1.00 0.00 N ATOM 49 CA SER A 6 27.319 -9.150 -19.145 1.00 0.00 C ATOM 50 C SER A 6 25.906 -9.725 -19.172 1.00 0.00 C ATOM 51 O SER A 6 24.924 -8.986 -19.222 1.00 0.00 O ATOM 52 CB SER A 6 27.922 -9.315 -17.749 1.00 0.00 C ATOM 53 OG SER A 6 27.034 -8.845 -16.750 1.00 0.00 O ATOM 0 H SER A 6 26.501 -7.219 -19.206 1.00 0.00 H new ATOM 0 HA SER A 6 27.929 -9.697 -19.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.151 -10.366 -17.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.863 -8.769 -17.689 1.00 0.00 H new ATOM 0 HG SER A 6 27.443 -8.963 -15.867 1.00 0.00 H new ATOM 59 N GLY A 7 25.813 -11.051 -19.138 1.00 0.00 N ATOM 60 CA GLY A 7 24.517 -11.705 -19.160 1.00 0.00 C ATOM 61 C GLY A 7 24.603 -13.174 -18.796 1.00 0.00 C ATOM 62 O GLY A 7 25.681 -13.767 -18.831 1.00 0.00 O ATOM 0 H GLY A 7 26.612 -11.684 -19.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.847 -11.200 -18.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.080 -11.605 -20.153 1.00 0.00 H new ATOM 66 N MET A 8 23.464 -13.761 -18.443 1.00 0.00 N ATOM 67 CA MET A 8 23.416 -15.170 -18.069 1.00 0.00 C ATOM 68 C MET A 8 22.157 -15.835 -18.618 1.00 0.00 C ATOM 69 O MET A 8 21.140 -15.177 -18.834 1.00 0.00 O ATOM 70 CB MET A 8 23.463 -15.319 -16.547 1.00 0.00 C ATOM 71 CG MET A 8 22.283 -14.675 -15.838 1.00 0.00 C ATOM 72 SD MET A 8 22.509 -12.904 -15.581 1.00 0.00 S ATOM 73 CE MET A 8 21.857 -12.717 -13.923 1.00 0.00 C ATOM 0 H MET A 8 22.563 -13.284 -18.408 1.00 0.00 H new ATOM 0 HA MET A 8 24.286 -15.664 -18.501 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.494 -16.379 -16.294 1.00 0.00 H new ATOM 0 HB3 MET A 8 24.386 -14.875 -16.175 1.00 0.00 H new ATOM 0 HG2 MET A 8 21.378 -14.841 -16.423 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.133 -15.162 -14.874 1.00 0.00 H new ATOM 0 HE1 MET A 8 21.928 -11.672 -13.620 1.00 0.00 H new ATOM 0 HE2 MET A 8 20.813 -13.030 -13.905 1.00 0.00 H new ATOM 0 HE3 MET A 8 22.433 -13.334 -13.234 1.00 0.00 H new ATOM 83 N ALA A 9 22.234 -17.143 -18.843 1.00 0.00 N ATOM 84 CA ALA A 9 21.101 -17.896 -19.365 1.00 0.00 C ATOM 85 C ALA A 9 20.636 -18.951 -18.367 1.00 0.00 C ATOM 86 O ALA A 9 21.431 -19.473 -17.586 1.00 0.00 O ATOM 87 CB ALA A 9 21.465 -18.545 -20.692 1.00 0.00 C ATOM 0 H ALA A 9 23.069 -17.703 -18.672 1.00 0.00 H new ATOM 0 HA ALA A 9 20.278 -17.200 -19.527 1.00 0.00 H new ATOM 0 HB1 ALA A 9 20.609 -19.104 -21.070 1.00 0.00 H new ATOM 0 HB2 ALA A 9 21.741 -17.773 -21.411 1.00 0.00 H new ATOM 0 HB3 ALA A 9 22.306 -19.223 -20.547 1.00 0.00 H new ATOM 93 N SER A 10 19.344 -19.260 -18.398 1.00 0.00 N ATOM 94 CA SER A 10 18.772 -20.250 -17.493 1.00 0.00 C ATOM 95 C SER A 10 17.864 -21.216 -18.247 1.00 0.00 C ATOM 96 O SER A 10 17.181 -20.831 -19.195 1.00 0.00 O ATOM 97 CB SER A 10 17.986 -19.558 -16.378 1.00 0.00 C ATOM 98 OG SER A 10 18.775 -18.575 -15.731 1.00 0.00 O ATOM 0 H SER A 10 18.673 -18.839 -19.040 1.00 0.00 H new ATOM 0 HA SER A 10 19.591 -20.819 -17.052 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.091 -19.095 -16.793 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.653 -20.298 -15.650 1.00 0.00 H new ATOM 0 HG SER A 10 18.249 -18.147 -15.024 1.00 0.00 H new ATOM 104 N SER A 11 17.864 -22.475 -17.819 1.00 0.00 N ATOM 105 CA SER A 11 17.044 -23.498 -18.455 1.00 0.00 C ATOM 106 C SER A 11 15.596 -23.405 -17.984 1.00 0.00 C ATOM 107 O SER A 11 15.168 -24.151 -17.102 1.00 0.00 O ATOM 108 CB SER A 11 17.602 -24.890 -18.153 1.00 0.00 C ATOM 109 OG SER A 11 18.716 -25.183 -18.978 1.00 0.00 O ATOM 0 H SER A 11 18.423 -22.810 -17.034 1.00 0.00 H new ATOM 0 HA SER A 11 17.069 -23.330 -19.532 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.896 -24.948 -17.105 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.825 -25.638 -18.307 1.00 0.00 H new ATOM 0 HG SER A 11 19.055 -26.077 -18.764 1.00 0.00 H new ATOM 115 N VAL A 12 14.845 -22.483 -18.578 1.00 0.00 N ATOM 116 CA VAL A 12 13.444 -22.292 -18.221 1.00 0.00 C ATOM 117 C VAL A 12 12.539 -22.461 -19.436 1.00 0.00 C ATOM 118 O VAL A 12 12.609 -21.684 -20.389 1.00 0.00 O ATOM 119 CB VAL A 12 13.207 -20.899 -17.608 1.00 0.00 C ATOM 120 CG1 VAL A 12 13.993 -20.743 -16.315 1.00 0.00 C ATOM 121 CG2 VAL A 12 13.578 -19.809 -18.602 1.00 0.00 C ATOM 0 H VAL A 12 15.183 -21.857 -19.309 1.00 0.00 H new ATOM 0 HA VAL A 12 13.199 -23.054 -17.481 1.00 0.00 H new ATOM 0 HB VAL A 12 12.147 -20.800 -17.374 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.813 -19.753 -15.897 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.673 -21.502 -15.601 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.057 -20.862 -16.519 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.404 -18.832 -18.152 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.630 -19.903 -18.869 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.966 -19.910 -19.498 1.00 0.00 H new ATOM 131 N LEU A 13 11.689 -23.481 -19.395 1.00 0.00 N ATOM 132 CA LEU A 13 10.768 -23.753 -20.493 1.00 0.00 C ATOM 133 C LEU A 13 9.319 -23.659 -20.025 1.00 0.00 C ATOM 134 O LEU A 13 8.828 -24.539 -19.319 1.00 0.00 O ATOM 135 CB LEU A 13 11.037 -25.140 -21.079 1.00 0.00 C ATOM 136 CG LEU A 13 9.940 -25.716 -21.975 1.00 0.00 C ATOM 137 CD1 LEU A 13 10.013 -25.107 -23.367 1.00 0.00 C ATOM 138 CD2 LEU A 13 10.050 -27.232 -22.047 1.00 0.00 C ATOM 0 H LEU A 13 11.618 -24.133 -18.614 1.00 0.00 H new ATOM 0 HA LEU A 13 10.931 -23.001 -21.265 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.962 -25.096 -21.654 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.207 -25.833 -20.255 1.00 0.00 H new ATOM 0 HG LEU A 13 8.973 -25.463 -21.540 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.225 -25.529 -23.991 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.883 -24.027 -23.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.984 -25.328 -23.810 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.261 -27.624 -22.689 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.022 -27.507 -22.457 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.946 -27.652 -21.047 1.00 0.00 H new ATOM 150 N GLU A 14 8.642 -22.588 -20.426 1.00 0.00 N ATOM 151 CA GLU A 14 7.249 -22.381 -20.047 1.00 0.00 C ATOM 152 C GLU A 14 6.676 -21.145 -20.735 1.00 0.00 C ATOM 153 O GLU A 14 7.360 -20.133 -20.885 1.00 0.00 O ATOM 154 CB GLU A 14 7.125 -22.237 -18.529 1.00 0.00 C ATOM 155 CG GLU A 14 7.804 -20.994 -17.979 1.00 0.00 C ATOM 156 CD GLU A 14 9.311 -21.139 -17.898 1.00 0.00 C ATOM 157 OE1 GLU A 14 9.780 -22.209 -17.456 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.021 -20.184 -18.275 1.00 0.00 O ATOM 0 H GLU A 14 9.034 -21.851 -21.012 1.00 0.00 H new ATOM 0 HA GLU A 14 6.679 -23.252 -20.369 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.069 -22.213 -18.260 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.556 -23.117 -18.052 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.558 -20.141 -18.611 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.410 -20.779 -16.986 1.00 0.00 H new ATOM 165 N MET A 15 5.417 -21.236 -21.151 1.00 0.00 N ATOM 166 CA MET A 15 4.752 -20.125 -21.822 1.00 0.00 C ATOM 167 C MET A 15 4.711 -18.893 -20.923 1.00 0.00 C ATOM 168 O MET A 15 4.120 -18.920 -19.844 1.00 0.00 O ATOM 169 CB MET A 15 3.331 -20.523 -22.227 1.00 0.00 C ATOM 170 CG MET A 15 2.521 -19.375 -22.807 1.00 0.00 C ATOM 171 SD MET A 15 1.299 -19.927 -24.012 1.00 0.00 S ATOM 172 CE MET A 15 1.790 -18.980 -25.451 1.00 0.00 C ATOM 0 H MET A 15 4.837 -22.067 -21.035 1.00 0.00 H new ATOM 0 HA MET A 15 5.322 -19.880 -22.718 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.383 -21.327 -22.961 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.811 -20.920 -21.355 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.016 -18.847 -21.998 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.196 -18.662 -23.280 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.126 -19.213 -26.284 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.728 -17.916 -25.224 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.815 -19.235 -25.722 1.00 0.00 H new ATOM 182 N ILE A 16 5.343 -17.815 -21.376 1.00 0.00 N ATOM 183 CA ILE A 16 5.378 -16.574 -20.613 1.00 0.00 C ATOM 184 C ILE A 16 4.081 -15.789 -20.780 1.00 0.00 C ATOM 185 O ILE A 16 3.907 -15.056 -21.753 1.00 0.00 O ATOM 186 CB ILE A 16 6.561 -15.684 -21.038 1.00 0.00 C ATOM 187 CG1 ILE A 16 7.883 -16.428 -20.839 1.00 0.00 C ATOM 188 CG2 ILE A 16 6.555 -14.383 -20.250 1.00 0.00 C ATOM 189 CD1 ILE A 16 8.303 -17.246 -22.039 1.00 0.00 C ATOM 0 H ILE A 16 5.837 -17.776 -22.267 1.00 0.00 H new ATOM 0 HA ILE A 16 5.500 -16.851 -19.566 1.00 0.00 H new ATOM 0 HB ILE A 16 6.456 -15.445 -22.096 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.666 -15.705 -20.610 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.794 -17.086 -19.974 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.397 -13.765 -20.562 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.624 -13.849 -20.437 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.640 -14.602 -19.186 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.248 -17.745 -21.826 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.539 -17.993 -22.256 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.425 -16.591 -22.901 1.00 0.00 H new ATOM 201 N LYS A 17 3.172 -15.948 -19.823 1.00 0.00 N ATOM 202 CA LYS A 17 1.891 -15.253 -19.861 1.00 0.00 C ATOM 203 C LYS A 17 2.093 -13.741 -19.894 1.00 0.00 C ATOM 204 O LYS A 17 2.706 -13.169 -18.993 1.00 0.00 O ATOM 205 CB LYS A 17 1.042 -15.639 -18.648 1.00 0.00 C ATOM 206 CG LYS A 17 -0.449 -15.446 -18.863 1.00 0.00 C ATOM 207 CD LYS A 17 -1.083 -16.669 -19.504 1.00 0.00 C ATOM 208 CE LYS A 17 -2.367 -16.312 -20.237 1.00 0.00 C ATOM 209 NZ LYS A 17 -2.115 -15.973 -21.665 1.00 0.00 N ATOM 0 H LYS A 17 3.299 -16.553 -19.011 1.00 0.00 H new ATOM 0 HA LYS A 17 1.370 -15.552 -20.771 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.233 -16.683 -18.399 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.357 -15.044 -17.791 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.932 -15.243 -17.907 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.616 -14.574 -19.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.378 -17.122 -20.202 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.296 -17.414 -18.737 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.063 -17.149 -20.180 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.845 -15.467 -19.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.015 -15.736 -22.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.471 -15.158 -21.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.683 -16.788 -22.144 1.00 0.00 H new ATOM 269 N THR A 21 1.187 -11.339 -15.873 1.00 0.00 N ATOM 270 CA THR A 21 2.503 -10.846 -15.489 1.00 0.00 C ATOM 271 C THR A 21 2.584 -9.330 -15.627 1.00 0.00 C ATOM 272 O THR A 21 2.030 -8.751 -16.562 1.00 0.00 O ATOM 273 CB THR A 21 3.614 -11.488 -16.340 1.00 0.00 C ATOM 274 OG1 THR A 21 3.411 -12.903 -16.424 1.00 0.00 O ATOM 275 CG2 THR A 21 4.985 -11.202 -15.746 1.00 0.00 C ATOM 0 HA THR A 21 2.651 -11.121 -14.445 1.00 0.00 H new ATOM 0 HB THR A 21 3.571 -11.055 -17.339 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.298 -13.162 -17.362 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.753 -11.666 -16.365 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.149 -10.125 -15.711 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.037 -11.610 -14.737 1.00 0.00 H new ATOM 283 N CYS A 22 3.279 -8.691 -14.691 1.00 0.00 N ATOM 284 CA CYS A 22 3.433 -7.242 -14.709 1.00 0.00 C ATOM 285 C CYS A 22 3.722 -6.742 -16.121 1.00 0.00 C ATOM 286 O CYS A 22 4.723 -7.101 -16.741 1.00 0.00 O ATOM 287 CB CYS A 22 4.561 -6.817 -13.766 1.00 0.00 C ATOM 288 SG CYS A 22 4.576 -5.037 -13.380 1.00 0.00 S ATOM 0 H CYS A 22 3.744 -9.155 -13.911 1.00 0.00 H new ATOM 0 HA CYS A 22 2.497 -6.798 -14.370 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.474 -7.379 -12.836 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.517 -7.089 -14.214 1.00 0.00 H new ATOM 0 HG CYS A 22 3.556 -4.748 -12.627 1.00 0.00 H new ATOM 293 N PRO A 23 2.824 -5.894 -16.644 1.00 0.00 N ATOM 294 CA PRO A 23 2.960 -5.326 -17.988 1.00 0.00 C ATOM 295 C PRO A 23 4.107 -4.325 -18.081 1.00 0.00 C ATOM 296 O PRO A 23 4.297 -3.679 -19.112 1.00 0.00 O ATOM 297 CB PRO A 23 1.619 -4.625 -18.215 1.00 0.00 C ATOM 298 CG PRO A 23 1.120 -4.309 -16.847 1.00 0.00 C ATOM 299 CD PRO A 23 1.607 -5.423 -15.962 1.00 0.00 C ATOM 0 HA PRO A 23 3.188 -6.090 -18.732 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.741 -3.720 -18.811 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.922 -5.268 -18.752 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.499 -3.346 -16.506 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.032 -4.247 -16.833 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.823 -5.070 -14.954 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.865 -6.216 -15.870 1.00 0.00 H new ATOM 307 N ILE A 24 4.868 -4.201 -16.999 1.00 0.00 N ATOM 308 CA ILE A 24 5.996 -3.279 -16.960 1.00 0.00 C ATOM 309 C ILE A 24 7.319 -4.033 -16.882 1.00 0.00 C ATOM 310 O ILE A 24 8.143 -3.961 -17.795 1.00 0.00 O ATOM 311 CB ILE A 24 5.895 -2.316 -15.763 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.598 -1.509 -15.837 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.101 -1.389 -15.725 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.190 -0.897 -14.515 1.00 0.00 C ATOM 0 H ILE A 24 4.724 -4.728 -16.137 1.00 0.00 H new ATOM 0 HA ILE A 24 5.964 -2.701 -17.884 1.00 0.00 H new ATOM 0 HB ILE A 24 5.883 -2.903 -14.844 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.715 -0.715 -16.575 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.796 -2.157 -16.191 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.015 -0.714 -14.873 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.012 -1.980 -15.629 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.142 -0.807 -16.646 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.262 -0.340 -14.643 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.040 -1.687 -13.779 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.973 -0.223 -14.169 1.00 0.00 H new ATOM 326 N CYS A 25 7.517 -4.759 -15.786 1.00 0.00 N ATOM 327 CA CYS A 25 8.739 -5.528 -15.588 1.00 0.00 C ATOM 328 C CYS A 25 8.592 -6.938 -16.153 1.00 0.00 C ATOM 329 O CYS A 25 9.582 -7.601 -16.463 1.00 0.00 O ATOM 330 CB CYS A 25 9.087 -5.598 -14.100 1.00 0.00 C ATOM 331 SG CYS A 25 7.833 -6.439 -13.081 1.00 0.00 S ATOM 0 H CYS A 25 6.846 -4.830 -15.021 1.00 0.00 H new ATOM 0 HA CYS A 25 9.546 -5.024 -16.120 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.040 -6.115 -13.985 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.226 -4.585 -13.723 1.00 0.00 H new ATOM 0 HG CYS A 25 6.728 -5.754 -13.099 1.00 0.00 H new ATOM 336 N LEU A 26 7.350 -7.390 -16.285 1.00 0.00 N ATOM 337 CA LEU A 26 7.071 -8.721 -16.814 1.00 0.00 C ATOM 338 C LEU A 26 7.631 -9.800 -15.892 1.00 0.00 C ATOM 339 O LEU A 26 8.281 -10.741 -16.347 1.00 0.00 O ATOM 340 CB LEU A 26 7.668 -8.870 -18.214 1.00 0.00 C ATOM 341 CG LEU A 26 7.141 -7.903 -19.275 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.035 -7.921 -20.505 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.708 -8.252 -19.649 1.00 0.00 C ATOM 0 H LEU A 26 6.519 -6.854 -16.033 1.00 0.00 H new ATOM 0 HA LEU A 26 5.989 -8.844 -16.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.748 -8.745 -18.142 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.487 -9.889 -18.558 1.00 0.00 H new ATOM 0 HG LEU A 26 7.152 -6.896 -18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.644 -7.227 -21.249 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.045 -7.622 -20.225 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.057 -8.927 -20.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.349 -7.554 -20.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.672 -9.267 -20.046 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.075 -8.186 -18.764 1.00 0.00 H new ATOM 355 N GLU A 27 7.372 -9.658 -14.596 1.00 0.00 N ATOM 356 CA GLU A 27 7.849 -10.622 -13.612 1.00 0.00 C ATOM 357 C GLU A 27 6.794 -10.871 -12.539 1.00 0.00 C ATOM 358 O GLU A 27 5.800 -10.149 -12.449 1.00 0.00 O ATOM 359 CB GLU A 27 9.143 -10.125 -12.965 1.00 0.00 C ATOM 360 CG GLU A 27 10.299 -9.989 -13.942 1.00 0.00 C ATOM 361 CD GLU A 27 11.387 -9.064 -13.433 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.958 -9.353 -12.360 1.00 0.00 O ATOM 363 OE2 GLU A 27 11.668 -8.050 -14.106 1.00 0.00 O ATOM 0 H GLU A 27 6.835 -8.885 -14.203 1.00 0.00 H new ATOM 0 HA GLU A 27 8.047 -11.562 -14.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.957 -9.158 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.429 -10.813 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.725 -10.974 -14.134 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.923 -9.613 -14.894 1.00 0.00 H new ATOM 370 N LEU A 28 7.016 -11.898 -11.726 1.00 0.00 N ATOM 371 CA LEU A 28 6.084 -12.244 -10.658 1.00 0.00 C ATOM 372 C LEU A 28 5.649 -11.000 -9.891 1.00 0.00 C ATOM 373 O LEU A 28 6.470 -10.314 -9.280 1.00 0.00 O ATOM 374 CB LEU A 28 6.727 -13.249 -9.700 1.00 0.00 C ATOM 375 CG LEU A 28 6.610 -14.722 -10.094 1.00 0.00 C ATOM 376 CD1 LEU A 28 7.401 -15.596 -9.133 1.00 0.00 C ATOM 377 CD2 LEU A 28 5.150 -15.150 -10.128 1.00 0.00 C ATOM 0 H LEU A 28 7.833 -12.506 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 28 5.202 -12.696 -11.111 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.784 -13.003 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.278 -13.120 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 28 7.028 -14.846 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.306 -16.641 -9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.451 -15.306 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.013 -15.469 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.085 -16.201 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.707 -15.011 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.610 -14.545 -10.856 1.00 0.00 H new ATOM 389 N LEU A 29 4.352 -10.715 -9.925 1.00 0.00 N ATOM 390 CA LEU A 29 3.805 -9.554 -9.231 1.00 0.00 C ATOM 391 C LEU A 29 3.968 -9.695 -7.721 1.00 0.00 C ATOM 392 O LEU A 29 3.501 -10.665 -7.123 1.00 0.00 O ATOM 393 CB LEU A 29 2.327 -9.375 -9.581 1.00 0.00 C ATOM 394 CG LEU A 29 2.016 -9.075 -11.048 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.687 -9.696 -11.449 1.00 0.00 C ATOM 396 CD2 LEU A 29 2.002 -7.574 -11.294 1.00 0.00 C ATOM 0 H LEU A 29 3.659 -11.272 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 29 4.358 -8.673 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.794 -10.282 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.926 -8.565 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 29 2.800 -9.516 -11.664 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.482 -9.472 -12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.734 -10.776 -11.311 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.109 -9.285 -10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.779 -7.379 -12.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.239 -7.110 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.978 -7.156 -11.047 1.00 0.00 H new ATOM 408 N LYS A 30 4.633 -8.721 -7.109 1.00 0.00 N ATOM 409 CA LYS A 30 4.855 -8.734 -5.668 1.00 0.00 C ATOM 410 C LYS A 30 3.908 -7.769 -4.962 1.00 0.00 C ATOM 411 O LYS A 30 4.026 -6.553 -5.107 1.00 0.00 O ATOM 412 CB LYS A 30 6.306 -8.363 -5.351 1.00 0.00 C ATOM 413 CG LYS A 30 6.680 -8.561 -3.893 1.00 0.00 C ATOM 414 CD LYS A 30 7.940 -7.792 -3.531 1.00 0.00 C ATOM 415 CE LYS A 30 7.667 -6.301 -3.409 1.00 0.00 C ATOM 416 NZ LYS A 30 8.710 -5.611 -2.601 1.00 0.00 N ATOM 0 H LYS A 30 5.028 -7.912 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 30 4.656 -9.742 -5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.970 -8.964 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.473 -7.320 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.857 -8.233 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.831 -9.622 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.339 -8.168 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.703 -7.962 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.625 -5.857 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.691 -6.147 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.488 -4.597 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.733 -6.017 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.638 -5.736 -3.053 1.00 0.00 H new ATOM 430 N GLU A 31 2.970 -8.320 -4.198 1.00 0.00 N ATOM 431 CA GLU A 31 2.003 -7.507 -3.470 1.00 0.00 C ATOM 432 C GLU A 31 1.439 -6.404 -4.362 1.00 0.00 C ATOM 433 O GLU A 31 1.464 -5.221 -4.021 1.00 0.00 O ATOM 434 CB GLU A 31 2.653 -6.892 -2.229 1.00 0.00 C ATOM 435 CG GLU A 31 2.557 -7.770 -0.993 1.00 0.00 C ATOM 436 CD GLU A 31 2.773 -6.995 0.292 1.00 0.00 C ATOM 437 OE1 GLU A 31 3.938 -6.659 0.593 1.00 0.00 O ATOM 438 OE2 GLU A 31 1.778 -6.725 0.997 1.00 0.00 O ATOM 0 H GLU A 31 2.859 -9.326 -4.067 1.00 0.00 H new ATOM 0 HA GLU A 31 1.183 -8.154 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.703 -6.691 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.181 -5.932 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.577 -8.246 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.297 -8.568 -1.060 1.00 0.00 H new ATOM 445 N PRO A 32 0.918 -6.799 -5.532 1.00 0.00 N ATOM 446 CA PRO A 32 0.337 -5.861 -6.498 1.00 0.00 C ATOM 447 C PRO A 32 -0.974 -5.259 -6.005 1.00 0.00 C ATOM 448 O PRO A 32 -1.560 -5.734 -5.031 1.00 0.00 O ATOM 449 CB PRO A 32 0.096 -6.729 -7.735 1.00 0.00 C ATOM 450 CG PRO A 32 -0.048 -8.113 -7.205 1.00 0.00 C ATOM 451 CD PRO A 32 0.854 -8.193 -6.004 1.00 0.00 C ATOM 0 HA PRO A 32 0.990 -5.008 -6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.800 -6.415 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.927 -6.658 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.082 -8.320 -6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.236 -8.850 -7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.449 -8.857 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.841 -8.574 -6.267 1.00 0.00 H new ATOM 459 N VAL A 33 -1.432 -4.212 -6.683 1.00 0.00 N ATOM 460 CA VAL A 33 -2.676 -3.546 -6.315 1.00 0.00 C ATOM 461 C VAL A 33 -3.565 -3.331 -7.534 1.00 0.00 C ATOM 462 O VAL A 33 -3.131 -2.773 -8.542 1.00 0.00 O ATOM 463 CB VAL A 33 -2.407 -2.187 -5.642 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.780 -2.385 -4.271 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.519 -1.323 -6.525 1.00 0.00 C ATOM 0 H VAL A 33 -0.960 -3.806 -7.491 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.187 -4.198 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.358 -1.672 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.597 -1.414 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.456 -2.963 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.836 -2.920 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.339 -0.366 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.569 -1.830 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.013 -1.153 -7.482 1.00 0.00 H new ATOM 475 N SER A 34 -4.814 -3.776 -7.435 1.00 0.00 N ATOM 476 CA SER A 34 -5.765 -3.635 -8.532 1.00 0.00 C ATOM 477 C SER A 34 -6.211 -2.184 -8.680 1.00 0.00 C ATOM 478 O SER A 34 -6.088 -1.387 -7.751 1.00 0.00 O ATOM 479 CB SER A 34 -6.982 -4.533 -8.298 1.00 0.00 C ATOM 480 OG SER A 34 -6.650 -5.899 -8.479 1.00 0.00 O ATOM 0 H SER A 34 -5.191 -4.237 -6.607 1.00 0.00 H new ATOM 0 HA SER A 34 -5.268 -3.940 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.363 -4.379 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.781 -4.255 -8.986 1.00 0.00 H new ATOM 0 HG SER A 34 -6.071 -5.994 -9.264 1.00 0.00 H new ATOM 486 N ALA A 35 -6.729 -1.848 -9.857 1.00 0.00 N ATOM 487 CA ALA A 35 -7.196 -0.494 -10.129 1.00 0.00 C ATOM 488 C ALA A 35 -8.544 -0.510 -10.841 1.00 0.00 C ATOM 489 O ALA A 35 -9.075 -1.574 -11.160 1.00 0.00 O ATOM 490 CB ALA A 35 -6.168 0.262 -10.956 1.00 0.00 C ATOM 0 H ALA A 35 -6.836 -2.495 -10.638 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.326 0.017 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.530 1.271 -11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.227 0.313 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.009 -0.256 -11.902 1.00 0.00 H new ATOM 496 N ASP A 36 -9.091 0.675 -11.088 1.00 0.00 N ATOM 497 CA ASP A 36 -10.378 0.797 -11.764 1.00 0.00 C ATOM 498 C ASP A 36 -10.360 0.064 -13.102 1.00 0.00 C ATOM 499 O ASP A 36 -11.345 -0.565 -13.490 1.00 0.00 O ATOM 500 CB ASP A 36 -10.727 2.270 -11.980 1.00 0.00 C ATOM 501 CG ASP A 36 -11.073 2.978 -10.685 1.00 0.00 C ATOM 502 OD1 ASP A 36 -10.146 3.491 -10.024 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.271 3.020 -10.332 1.00 0.00 O ATOM 0 H ASP A 36 -8.664 1.565 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.139 0.341 -11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.884 2.775 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.570 2.344 -12.668 1.00 0.00 H new ATOM 508 N CYS A 37 -9.235 0.151 -13.804 1.00 0.00 N ATOM 509 CA CYS A 37 -9.089 -0.502 -15.099 1.00 0.00 C ATOM 510 C CYS A 37 -8.690 -1.965 -14.929 1.00 0.00 C ATOM 511 O CYS A 37 -7.915 -2.503 -15.719 1.00 0.00 O ATOM 512 CB CYS A 37 -8.044 0.228 -15.946 1.00 0.00 C ATOM 513 SG CYS A 37 -6.414 0.380 -15.148 1.00 0.00 S ATOM 0 H CYS A 37 -8.411 0.668 -13.497 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.052 -0.463 -15.608 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.926 -0.300 -16.892 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.415 1.225 -16.182 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.563 0.883 -15.992 1.00 0.00 H new ATOM 518 N ASN A 38 -9.225 -2.602 -13.892 1.00 0.00 N ATOM 519 CA ASN A 38 -8.925 -4.002 -13.618 1.00 0.00 C ATOM 520 C ASN A 38 -7.485 -4.335 -13.999 1.00 0.00 C ATOM 521 O ASN A 38 -7.223 -5.344 -14.655 1.00 0.00 O ATOM 522 CB ASN A 38 -9.890 -4.911 -14.382 1.00 0.00 C ATOM 523 CG ASN A 38 -9.807 -6.355 -13.926 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.899 -6.648 -12.734 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.631 -7.266 -14.876 1.00 0.00 N ATOM 0 H ASN A 38 -9.868 -2.171 -13.228 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.047 -4.171 -12.548 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.909 -4.549 -14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.670 -4.856 -15.448 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.567 -8.254 -14.630 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.560 -6.978 -15.852 1.00 0.00 H new ATOM 532 N HIS A 39 -6.556 -3.480 -13.584 1.00 0.00 N ATOM 533 CA HIS A 39 -5.143 -3.684 -13.880 1.00 0.00 C ATOM 534 C HIS A 39 -4.296 -3.541 -12.619 1.00 0.00 C ATOM 535 O HIS A 39 -4.296 -2.491 -11.976 1.00 0.00 O ATOM 536 CB HIS A 39 -4.673 -2.686 -14.939 1.00 0.00 C ATOM 537 CG HIS A 39 -5.263 -2.928 -16.294 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.355 -1.949 -17.261 1.00 0.00 N ATOM 539 CD2 HIS A 39 -5.792 -4.047 -16.842 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.916 -2.455 -18.345 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.191 -3.727 -18.117 1.00 0.00 N ATOM 0 H HIS A 39 -6.756 -2.640 -13.042 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.021 -4.696 -14.265 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.929 -1.677 -14.615 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.586 -2.731 -15.012 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -5.039 -0.985 -17.156 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.883 -5.012 -16.366 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.116 -1.920 -19.262 1.00 0.00 H new ATOM 549 N SER A 40 -3.578 -4.603 -12.271 1.00 0.00 N ATOM 550 CA SER A 40 -2.731 -4.597 -11.083 1.00 0.00 C ATOM 551 C SER A 40 -1.255 -4.604 -11.469 1.00 0.00 C ATOM 552 O SER A 40 -0.880 -5.108 -12.528 1.00 0.00 O ATOM 553 CB SER A 40 -3.045 -5.807 -10.201 1.00 0.00 C ATOM 554 OG SER A 40 -4.442 -5.950 -10.010 1.00 0.00 O ATOM 0 H SER A 40 -3.565 -5.479 -12.794 1.00 0.00 H new ATOM 0 HA SER A 40 -2.938 -3.685 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.643 -6.710 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.552 -5.695 -9.235 1.00 0.00 H new ATOM 0 HG SER A 40 -4.626 -6.805 -9.568 1.00 0.00 H new ATOM 560 N PHE A 41 -0.420 -4.041 -10.602 1.00 0.00 N ATOM 561 CA PHE A 41 1.015 -3.981 -10.850 1.00 0.00 C ATOM 562 C PHE A 41 1.797 -4.047 -9.542 1.00 0.00 C ATOM 563 O PHE A 41 1.268 -3.742 -8.473 1.00 0.00 O ATOM 564 CB PHE A 41 1.370 -2.698 -11.605 1.00 0.00 C ATOM 565 CG PHE A 41 0.323 -2.277 -12.597 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.849 -1.672 -12.172 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.511 -2.487 -13.953 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.814 -1.283 -13.082 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.450 -2.100 -14.868 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.614 -1.498 -14.432 1.00 0.00 C ATOM 0 H PHE A 41 -0.713 -3.619 -9.721 1.00 0.00 H new ATOM 0 HA PHE A 41 1.289 -4.842 -11.460 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.522 -1.893 -10.886 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.316 -2.843 -12.127 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.010 -1.502 -11.118 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.419 -2.958 -14.299 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.723 -0.812 -12.738 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.291 -2.268 -15.923 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.367 -1.196 -15.145 1.00 0.00 H new ATOM 580 N CYS A 42 3.061 -4.448 -9.634 1.00 0.00 N ATOM 581 CA CYS A 42 3.917 -4.556 -8.459 1.00 0.00 C ATOM 582 C CYS A 42 3.825 -3.298 -7.601 1.00 0.00 C ATOM 583 O CYS A 42 4.036 -2.186 -8.087 1.00 0.00 O ATOM 584 CB CYS A 42 5.368 -4.795 -8.881 1.00 0.00 C ATOM 585 SG CYS A 42 5.577 -6.121 -10.112 1.00 0.00 S ATOM 0 H CYS A 42 3.515 -4.704 -10.511 1.00 0.00 H new ATOM 0 HA CYS A 42 3.573 -5.404 -7.866 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.774 -3.869 -9.288 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.957 -5.039 -7.997 1.00 0.00 H new ATOM 0 HG CYS A 42 5.202 -5.691 -11.280 1.00 0.00 H new ATOM 590 N ARG A 43 3.509 -3.481 -6.324 1.00 0.00 N ATOM 591 CA ARG A 43 3.388 -2.361 -5.398 1.00 0.00 C ATOM 592 C ARG A 43 4.372 -1.252 -5.756 1.00 0.00 C ATOM 593 O ARG A 43 4.027 -0.071 -5.732 1.00 0.00 O ATOM 594 CB ARG A 43 3.631 -2.830 -3.962 1.00 0.00 C ATOM 595 CG ARG A 43 3.545 -1.714 -2.935 1.00 0.00 C ATOM 596 CD ARG A 43 2.118 -1.511 -2.450 1.00 0.00 C ATOM 597 NE ARG A 43 1.912 -0.174 -1.899 1.00 0.00 N ATOM 598 CZ ARG A 43 0.714 0.379 -1.741 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.378 -0.287 -2.089 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.608 1.599 -1.232 1.00 0.00 N ATOM 0 H ARG A 43 3.332 -4.395 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 43 2.376 -1.964 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.901 -3.600 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.616 -3.293 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.189 -1.948 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.917 -0.787 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.427 -1.672 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.884 -2.256 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 43 2.732 0.364 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.300 -1.226 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.296 0.140 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.446 2.113 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.312 2.023 -1.111 1.00 0.00 H new ATOM 614 N ALA A 44 5.599 -1.640 -6.087 1.00 0.00 N ATOM 615 CA ALA A 44 6.633 -0.679 -6.451 1.00 0.00 C ATOM 616 C ALA A 44 6.408 -0.138 -7.859 1.00 0.00 C ATOM 617 O ALA A 44 6.154 1.052 -8.044 1.00 0.00 O ATOM 618 CB ALA A 44 8.010 -1.318 -6.342 1.00 0.00 C ATOM 0 H ALA A 44 5.902 -2.614 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 44 6.578 0.158 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.772 -0.589 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.177 -1.649 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.068 -2.174 -7.014 1.00 0.00 H new ATOM 624 N CYS A 45 6.504 -1.020 -8.849 1.00 0.00 N ATOM 625 CA CYS A 45 6.313 -0.631 -10.241 1.00 0.00 C ATOM 626 C CYS A 45 5.271 0.478 -10.357 1.00 0.00 C ATOM 627 O CYS A 45 5.586 1.600 -10.755 1.00 0.00 O ATOM 628 CB CYS A 45 5.883 -1.839 -11.075 1.00 0.00 C ATOM 629 SG CYS A 45 7.256 -2.936 -11.556 1.00 0.00 S ATOM 0 H CYS A 45 6.713 -2.009 -8.713 1.00 0.00 H new ATOM 0 HA CYS A 45 7.263 -0.255 -10.621 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.152 -2.416 -10.509 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.382 -1.485 -11.976 1.00 0.00 H new ATOM 0 HG CYS A 45 6.988 -4.154 -11.189 1.00 0.00 H new ATOM 634 N ILE A 46 4.030 0.156 -10.008 1.00 0.00 N ATOM 635 CA ILE A 46 2.943 1.124 -10.072 1.00 0.00 C ATOM 636 C ILE A 46 3.381 2.479 -9.528 1.00 0.00 C ATOM 637 O ILE A 46 3.036 3.525 -10.080 1.00 0.00 O ATOM 638 CB ILE A 46 1.711 0.641 -9.284 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.530 1.586 -9.511 1.00 0.00 C ATOM 640 CG2 ILE A 46 2.038 0.539 -7.801 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.814 0.953 -9.226 1.00 0.00 C ATOM 0 H ILE A 46 3.753 -0.768 -9.678 1.00 0.00 H new ATOM 0 HA ILE A 46 2.674 1.227 -11.123 1.00 0.00 H new ATOM 0 HB ILE A 46 1.433 -0.350 -9.644 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.651 2.464 -8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.547 1.934 -10.544 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.158 0.197 -7.257 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.853 -0.170 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.338 1.518 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.605 1.681 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.956 0.092 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.851 0.630 -8.186 1.00 0.00 H new ATOM 653 N THR A 47 4.146 2.455 -8.440 1.00 0.00 N ATOM 654 CA THR A 47 4.632 3.681 -7.821 1.00 0.00 C ATOM 655 C THR A 47 5.622 4.401 -8.729 1.00 0.00 C ATOM 656 O THR A 47 5.497 5.601 -8.975 1.00 0.00 O ATOM 657 CB THR A 47 5.309 3.396 -6.467 1.00 0.00 C ATOM 658 OG1 THR A 47 4.397 2.716 -5.597 1.00 0.00 O ATOM 659 CG2 THR A 47 5.774 4.688 -5.812 1.00 0.00 C ATOM 0 H THR A 47 4.442 1.599 -7.970 1.00 0.00 H new ATOM 0 HA THR A 47 3.763 4.318 -7.658 1.00 0.00 H new ATOM 0 HB THR A 47 6.179 2.764 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.396 1.759 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.249 4.462 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.490 5.189 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.917 5.340 -5.645 1.00 0.00 H new ATOM 667 N LEU A 48 6.607 3.661 -9.227 1.00 0.00 N ATOM 668 CA LEU A 48 7.620 4.229 -10.110 1.00 0.00 C ATOM 669 C LEU A 48 6.987 4.763 -11.391 1.00 0.00 C ATOM 670 O LEU A 48 7.405 5.793 -11.918 1.00 0.00 O ATOM 671 CB LEU A 48 8.676 3.176 -10.450 1.00 0.00 C ATOM 672 CG LEU A 48 9.773 2.965 -9.406 1.00 0.00 C ATOM 673 CD1 LEU A 48 9.205 2.304 -8.160 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.906 2.130 -9.985 1.00 0.00 C ATOM 0 H LEU A 48 6.726 2.666 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 48 8.098 5.059 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.171 2.224 -10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.148 3.454 -11.392 1.00 0.00 H new ATOM 0 HG LEU A 48 10.172 3.939 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.001 2.162 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.429 2.939 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.778 1.336 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.678 1.990 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.521 1.159 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.332 2.643 -10.847 1.00 0.00 H new ATOM 686 N ASN A 49 5.975 4.057 -11.885 1.00 0.00 N ATOM 687 CA ASN A 49 5.284 4.461 -13.103 1.00 0.00 C ATOM 688 C ASN A 49 4.335 5.624 -12.830 1.00 0.00 C ATOM 689 O ASN A 49 4.218 6.547 -13.636 1.00 0.00 O ATOM 690 CB ASN A 49 4.506 3.280 -13.689 1.00 0.00 C ATOM 691 CG ASN A 49 5.280 2.561 -14.776 1.00 0.00 C ATOM 692 OD1 ASN A 49 6.193 1.685 -14.372 1.00 0.00 O flip ATOM 693 ND2 ASN A 49 5.059 2.789 -15.966 1.00 0.00 N flip ATOM 0 H ASN A 49 5.616 3.202 -11.460 1.00 0.00 H new ATOM 0 HA ASN A 49 6.033 4.788 -13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.265 2.576 -12.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.560 3.637 -14.096 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.348 3.471 -16.231 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.587 2.296 -16.686 1.00 0.00 H new ATOM 700 N TYR A 50 3.659 5.572 -11.687 1.00 0.00 N ATOM 701 CA TYR A 50 2.719 6.620 -11.307 1.00 0.00 C ATOM 702 C TYR A 50 3.448 7.931 -11.028 1.00 0.00 C ATOM 703 O TYR A 50 3.047 8.990 -11.510 1.00 0.00 O ATOM 704 CB TYR A 50 1.921 6.195 -10.073 1.00 0.00 C ATOM 705 CG TYR A 50 1.436 7.357 -9.236 1.00 0.00 C ATOM 706 CD1 TYR A 50 0.772 8.430 -9.818 1.00 0.00 C ATOM 707 CD2 TYR A 50 1.642 7.382 -7.862 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.328 9.494 -9.057 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.200 8.442 -7.093 1.00 0.00 C ATOM 710 CZ TYR A 50 0.544 9.495 -7.695 1.00 0.00 C ATOM 711 OH TYR A 50 0.102 10.552 -6.933 1.00 0.00 O ATOM 0 H TYR A 50 3.745 4.816 -11.008 1.00 0.00 H new ATOM 0 HA TYR A 50 2.033 6.777 -12.139 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.062 5.604 -10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.542 5.547 -9.455 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.600 8.432 -10.884 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.156 6.559 -7.387 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.185 10.320 -9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.368 8.446 -6.026 1.00 0.00 H new ATOM 0 HH TYR A 50 0.333 10.397 -5.993 1.00 0.00 H new ATOM 721 N GLU A 51 4.521 7.850 -10.248 1.00 0.00 N ATOM 722 CA GLU A 51 5.306 9.030 -9.905 1.00 0.00 C ATOM 723 C GLU A 51 6.061 9.555 -11.123 1.00 0.00 C ATOM 724 O GLU A 51 5.853 10.689 -11.554 1.00 0.00 O ATOM 725 CB GLU A 51 6.292 8.705 -8.781 1.00 0.00 C ATOM 726 CG GLU A 51 5.620 8.307 -7.478 1.00 0.00 C ATOM 727 CD GLU A 51 5.193 9.505 -6.652 1.00 0.00 C ATOM 728 OE1 GLU A 51 4.741 10.505 -7.248 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.310 9.443 -5.410 1.00 0.00 O ATOM 0 H GLU A 51 4.866 6.980 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 51 4.619 9.805 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.945 7.895 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.926 9.574 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.747 7.692 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.305 7.693 -6.893 1.00 0.00 H new ATOM 861 N ASN A 61 -1.346 7.676 -14.473 1.00 0.00 N ATOM 862 CA ASN A 61 -1.704 7.090 -15.760 1.00 0.00 C ATOM 863 C ASN A 61 -1.260 5.633 -15.836 1.00 0.00 C ATOM 864 O ASN A 61 -0.171 5.279 -15.385 1.00 0.00 O ATOM 865 CB ASN A 61 -1.070 7.889 -16.900 1.00 0.00 C ATOM 866 CG ASN A 61 0.354 8.309 -16.590 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.647 9.497 -16.454 1.00 0.00 O ATOM 868 ND2 ASN A 61 1.248 7.334 -16.477 1.00 0.00 N ATOM 0 HA ASN A 61 -2.789 7.126 -15.859 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.079 7.288 -17.810 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.673 8.776 -17.098 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.222 7.556 -16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.961 6.363 -16.598 1.00 0.00 H new ATOM 875 N CYS A 62 -2.112 4.791 -16.412 1.00 0.00 N ATOM 876 CA CYS A 62 -1.810 3.371 -16.549 1.00 0.00 C ATOM 877 C CYS A 62 -0.942 3.116 -17.779 1.00 0.00 C ATOM 878 O CYS A 62 -1.284 3.495 -18.899 1.00 0.00 O ATOM 879 CB CYS A 62 -3.103 2.560 -16.646 1.00 0.00 C ATOM 880 SG CYS A 62 -2.844 0.765 -16.822 1.00 0.00 S ATOM 0 H CYS A 62 -3.017 5.068 -16.792 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.257 3.055 -15.664 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.702 2.744 -15.754 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.681 2.918 -17.498 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.678 0.129 -16.054 1.00 0.00 H new ATOM 885 N PRO A 63 0.207 2.458 -17.566 1.00 0.00 N ATOM 886 CA PRO A 63 1.146 2.136 -18.644 1.00 0.00 C ATOM 887 C PRO A 63 0.599 1.074 -19.592 1.00 0.00 C ATOM 888 O PRO A 63 1.312 0.581 -20.466 1.00 0.00 O ATOM 889 CB PRO A 63 2.374 1.606 -17.899 1.00 0.00 C ATOM 890 CG PRO A 63 1.839 1.089 -16.608 1.00 0.00 C ATOM 891 CD PRO A 63 0.677 1.976 -16.256 1.00 0.00 C ATOM 0 HA PRO A 63 1.353 3.000 -19.275 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.871 0.819 -18.465 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.109 2.394 -17.736 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.522 0.051 -16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.602 1.118 -15.830 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.102 1.427 -15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.981 2.800 -15.610 1.00 0.00 H new ATOM 899 N VAL A 64 -0.671 0.725 -19.413 1.00 0.00 N ATOM 900 CA VAL A 64 -1.314 -0.278 -20.254 1.00 0.00 C ATOM 901 C VAL A 64 -2.475 0.325 -21.038 1.00 0.00 C ATOM 902 O VAL A 64 -2.530 0.222 -22.263 1.00 0.00 O ATOM 903 CB VAL A 64 -1.834 -1.462 -19.417 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.569 -2.458 -20.300 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.687 -2.136 -18.678 1.00 0.00 C ATOM 0 H VAL A 64 -1.275 1.122 -18.693 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.558 -0.640 -20.951 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.538 -1.081 -18.677 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.929 -3.287 -19.691 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.415 -1.965 -20.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.890 -2.837 -21.064 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.072 -2.970 -18.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.043 -2.505 -19.398 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.209 -1.416 -18.014 1.00 0.00 H new ATOM 915 N CYS A 65 -3.401 0.955 -20.323 1.00 0.00 N ATOM 916 CA CYS A 65 -4.562 1.574 -20.950 1.00 0.00 C ATOM 917 C CYS A 65 -4.459 3.096 -20.900 1.00 0.00 C ATOM 918 O CYS A 65 -5.208 3.802 -21.576 1.00 0.00 O ATOM 919 CB CYS A 65 -5.847 1.116 -20.259 1.00 0.00 C ATOM 920 SG CYS A 65 -5.915 1.506 -18.480 1.00 0.00 S ATOM 0 H CYS A 65 -3.370 1.050 -19.308 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.589 1.262 -21.994 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.699 1.581 -20.755 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.952 0.039 -20.388 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.814 1.119 -17.908 1.00 0.00 H new ATOM 925 N ARG A 66 -3.526 3.595 -20.095 1.00 0.00 N ATOM 926 CA ARG A 66 -3.326 5.032 -19.956 1.00 0.00 C ATOM 927 C ARG A 66 -4.602 5.714 -19.470 1.00 0.00 C ATOM 928 O ARG A 66 -4.996 6.759 -19.989 1.00 0.00 O ATOM 929 CB ARG A 66 -2.887 5.639 -21.289 1.00 0.00 C ATOM 930 CG ARG A 66 -1.523 5.157 -21.758 1.00 0.00 C ATOM 931 CD ARG A 66 -0.398 5.858 -21.013 1.00 0.00 C ATOM 932 NE ARG A 66 0.824 5.929 -21.809 1.00 0.00 N ATOM 933 CZ ARG A 66 1.071 6.892 -22.691 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.185 7.858 -22.888 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.206 6.889 -23.378 1.00 0.00 N ATOM 0 H ARG A 66 -2.897 3.025 -19.529 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.543 5.194 -19.215 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.629 5.399 -22.050 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.867 6.725 -21.195 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.445 4.080 -21.608 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.420 5.338 -22.828 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.714 6.866 -20.744 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.194 5.328 -20.082 1.00 0.00 H new ATOM 0 HE ARG A 66 1.526 5.200 -21.681 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.689 7.864 -22.362 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.377 8.596 -23.566 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.890 6.147 -23.230 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.395 7.629 -24.055 1.00 0.00 H new ATOM 949 N VAL A 67 -5.244 5.115 -18.472 1.00 0.00 N ATOM 950 CA VAL A 67 -6.475 5.665 -17.916 1.00 0.00 C ATOM 951 C VAL A 67 -6.217 6.343 -16.575 1.00 0.00 C ATOM 952 O VAL A 67 -5.593 5.779 -15.676 1.00 0.00 O ATOM 953 CB VAL A 67 -7.544 4.571 -17.730 1.00 0.00 C ATOM 954 CG1 VAL A 67 -8.745 5.122 -16.977 1.00 0.00 C ATOM 955 CG2 VAL A 67 -7.963 4.002 -19.076 1.00 0.00 C ATOM 0 H VAL A 67 -4.932 4.249 -18.032 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.843 6.404 -18.628 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.114 3.763 -17.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.490 4.336 -16.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.428 5.477 -15.996 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.179 5.949 -17.539 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.718 3.231 -18.926 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.376 4.798 -19.695 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.096 3.568 -19.574 1.00 0.00 H new ATOM 965 N PRO A 68 -6.710 7.583 -16.435 1.00 0.00 N ATOM 966 CA PRO A 68 -6.547 8.365 -15.206 1.00 0.00 C ATOM 967 C PRO A 68 -7.365 7.803 -14.048 1.00 0.00 C ATOM 968 O PRO A 68 -8.587 7.944 -14.013 1.00 0.00 O ATOM 969 CB PRO A 68 -7.059 9.753 -15.598 1.00 0.00 C ATOM 970 CG PRO A 68 -8.007 9.504 -16.720 1.00 0.00 C ATOM 971 CD PRO A 68 -7.465 8.316 -17.465 1.00 0.00 C ATOM 0 HA PRO A 68 -5.515 8.360 -14.854 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.556 10.243 -14.761 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.241 10.404 -15.908 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.011 9.305 -16.345 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.077 10.375 -17.372 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.265 7.707 -17.887 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.825 8.619 -18.293 1.00 0.00 H new ATOM 979 N TYR A 69 -6.683 7.166 -13.102 1.00 0.00 N ATOM 980 CA TYR A 69 -7.348 6.581 -11.944 1.00 0.00 C ATOM 981 C TYR A 69 -6.834 7.204 -10.649 1.00 0.00 C ATOM 982 O TYR A 69 -5.674 7.602 -10.539 1.00 0.00 O ATOM 983 CB TYR A 69 -7.130 5.067 -11.915 1.00 0.00 C ATOM 984 CG TYR A 69 -5.692 4.666 -11.681 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.807 4.524 -12.742 1.00 0.00 C ATOM 986 CD2 TYR A 69 -5.217 4.431 -10.396 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.492 4.157 -12.532 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.903 4.065 -10.176 1.00 0.00 C ATOM 989 CZ TYR A 69 -3.045 3.929 -11.247 1.00 0.00 C ATOM 990 OH TYR A 69 -1.735 3.564 -11.034 1.00 0.00 O ATOM 0 H TYR A 69 -5.671 7.042 -13.115 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.415 6.787 -12.027 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.751 4.634 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.468 4.642 -12.860 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.153 4.704 -13.749 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.887 4.536 -9.555 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.818 4.049 -13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.550 3.886 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.442 3.892 -10.158 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.718 7.291 -9.644 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.378 7.863 -8.338 1.00 0.00 C ATOM 1002 C PRO A 70 -6.420 6.977 -7.549 1.00 0.00 C ATOM 1003 O PRO A 70 -6.734 5.828 -7.238 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.731 7.953 -7.627 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.568 6.903 -8.273 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.117 6.836 -9.706 1.00 0.00 C ATOM 0 HA PRO A 70 -6.866 8.821 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.629 7.775 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.175 8.941 -7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.438 5.941 -7.778 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.627 7.154 -8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.193 5.824 -10.105 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.720 7.478 -10.348 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.250 7.519 -7.227 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.245 6.778 -6.474 1.00 0.00 C ATOM 1016 C PHE A 71 -4.817 6.276 -5.152 1.00 0.00 C ATOM 1017 O PHE A 71 -4.515 5.167 -4.713 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.021 7.658 -6.213 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.804 6.883 -5.795 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.292 5.882 -6.605 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.172 7.155 -4.593 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.172 5.167 -6.225 1.00 0.00 C ATOM 1023 CE2 PHE A 71 -0.052 6.443 -4.207 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.448 5.448 -5.023 1.00 0.00 C ATOM 0 H PHE A 71 -4.975 8.469 -7.476 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.943 5.916 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.790 8.222 -7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.264 8.384 -5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.774 5.658 -7.545 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.559 7.932 -3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.218 4.390 -6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.432 6.665 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.322 4.890 -4.722 1.00 0.00 H new ATOM 1034 N GLY A 72 -5.646 7.103 -4.521 1.00 0.00 N ATOM 1035 CA GLY A 72 -6.247 6.727 -3.254 1.00 0.00 C ATOM 1036 C GLY A 72 -7.430 5.796 -3.428 1.00 0.00 C ATOM 1037 O GLY A 72 -8.442 5.932 -2.741 1.00 0.00 O ATOM 0 H GLY A 72 -5.912 8.026 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.497 6.243 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.570 7.625 -2.728 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.305 4.847 -4.350 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.374 3.891 -4.614 1.00 0.00 C ATOM 1043 C ASN A 73 -7.826 2.470 -4.691 1.00 0.00 C ATOM 1044 O ASN A 73 -8.460 1.522 -4.224 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.093 4.244 -5.918 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.358 3.433 -6.119 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.642 2.507 -5.360 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -11.125 3.779 -7.147 1.00 0.00 N ATOM 0 H ASN A 73 -6.474 4.720 -4.927 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.085 3.943 -3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.342 5.305 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.419 4.075 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.989 3.270 -7.333 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.850 4.554 -7.750 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.645 2.328 -5.283 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.010 1.022 -5.421 1.00 0.00 C ATOM 1057 C LEU A 74 -6.343 0.126 -4.233 1.00 0.00 C ATOM 1058 O LEU A 74 -6.371 0.579 -3.088 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.494 1.181 -5.546 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.004 2.079 -6.683 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.667 2.709 -6.327 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -3.895 1.288 -7.978 1.00 0.00 C ATOM 0 H LEU A 74 -6.108 3.101 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.396 0.552 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.112 1.578 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.055 0.192 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.731 2.878 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.334 3.344 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.777 3.310 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.930 1.925 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.545 1.943 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.189 0.468 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.873 0.885 -8.242 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.594 -1.149 -4.511 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.922 -2.111 -3.466 1.00 0.00 C ATOM 1076 C LYS A 75 -5.863 -3.206 -3.383 1.00 0.00 C ATOM 1077 O LYS A 75 -5.186 -3.524 -4.361 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.295 -2.733 -3.729 1.00 0.00 C ATOM 1079 CG LYS A 75 -8.268 -3.856 -4.751 1.00 0.00 C ATOM 1080 CD LYS A 75 -8.026 -5.204 -4.092 1.00 0.00 C ATOM 1081 CE LYS A 75 -9.295 -5.747 -3.453 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.176 -6.416 -4.450 1.00 0.00 N ATOM 0 H LYS A 75 -6.576 -1.540 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.947 -1.581 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.697 -3.116 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.977 -1.956 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.214 -3.879 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.485 -3.663 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.659 -5.913 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.249 -5.106 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.032 -6.456 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.839 -4.932 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.030 -6.772 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.448 -5.733 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.666 -7.210 -4.886 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.716 -3.798 -2.188 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.743 -4.868 -1.950 1.00 0.00 C ATOM 1098 C PRO A 76 -5.123 -6.165 -2.657 1.00 0.00 C ATOM 1099 O PRO A 76 -6.079 -6.836 -2.270 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.784 -5.055 -0.432 1.00 0.00 C ATOM 1101 CG PRO A 76 -6.139 -4.582 -0.029 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.488 -3.470 -0.979 1.00 0.00 C ATOM 0 HA PRO A 76 -3.756 -4.613 -2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.631 -6.099 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.001 -4.478 0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.868 -5.390 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.139 -4.229 1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.558 -3.437 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.210 -2.496 -0.577 1.00 0.00 H new