USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 799 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 70 CYS SG : rot -100:sc= -1.77 USER MOD Set 1.2: A 91 LYS NZ :NH3+ -148:sc= 0.00111 (180deg=-0.0302) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -146:sc= -2.36 (180deg=-3.83!) USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= -0.462 (180deg=-1.26) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot -15:sc= -0.811 USER MOD Single : A 14 MET CE :methyl -179:sc= -2.06 (180deg=-2.1) USER MOD Single : A 15 MET CE :methyl -135:sc= -1.55 (180deg=-2.25) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= 0.0356 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= -0.0572 (180deg=-0.434) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.74 K(o=-1.7,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.00445 (180deg=0.0012) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -6.65! C(o=-9!,f=-6.6!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 14:sc= 0.308 USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.401) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 0.181 (180deg=0.0867) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -126:sc= -0.0374 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -136:sc= -1.36 (180deg=-3.33!) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00206) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.77) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -1.29 F(o=-3!,f=-1.3) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.213 8.397 -1.583 1.00 0.00 N ATOM 67 CA VAL A 8 -10.833 8.701 -1.226 1.00 0.00 C ATOM 68 C VAL A 8 -10.685 8.899 0.278 1.00 0.00 C ATOM 69 O VAL A 8 -11.202 9.863 0.843 1.00 0.00 O ATOM 70 CB VAL A 8 -10.332 9.965 -1.951 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.910 10.297 -1.524 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.416 9.782 -3.459 1.00 0.00 C ATOM 0 HA VAL A 8 -10.230 7.848 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.974 10.801 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.573 11.192 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.885 10.473 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.252 9.464 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.058 10.684 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.799 8.935 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.451 9.596 -3.746 1.00 0.00 H new ATOM 82 N LEU A 9 -9.974 7.980 0.922 1.00 0.00 N ATOM 83 CA LEU A 9 -9.757 8.053 2.363 1.00 0.00 C ATOM 84 C LEU A 9 -8.602 8.993 2.692 1.00 0.00 C ATOM 85 O LEU A 9 -8.782 9.998 3.380 1.00 0.00 O ATOM 86 CB LEU A 9 -9.472 6.659 2.927 1.00 0.00 C ATOM 87 CG LEU A 9 -10.502 5.579 2.598 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.158 4.279 3.309 1.00 0.00 C ATOM 89 CD2 LEU A 9 -11.901 6.042 2.976 1.00 0.00 C ATOM 0 H LEU A 9 -9.538 7.176 0.470 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.664 8.446 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.500 6.331 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.391 6.737 4.011 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.480 5.398 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.902 3.522 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.174 3.938 2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.151 4.444 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.621 5.260 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.938 6.252 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.148 6.946 2.420 1.00 0.00 H new ATOM 101 N LYS A 10 -7.415 8.661 2.195 1.00 0.00 N ATOM 102 CA LYS A 10 -6.230 9.477 2.432 1.00 0.00 C ATOM 103 C LYS A 10 -5.550 9.845 1.118 1.00 0.00 C ATOM 104 O LYS A 10 -5.706 9.151 0.113 1.00 0.00 O ATOM 105 CB LYS A 10 -5.246 8.731 3.337 1.00 0.00 C ATOM 106 CG LYS A 10 -4.423 9.648 4.225 1.00 0.00 C ATOM 107 CD LYS A 10 -3.400 8.869 5.035 1.00 0.00 C ATOM 108 CE LYS A 10 -2.483 9.797 5.817 1.00 0.00 C ATOM 109 NZ LYS A 10 -3.248 10.703 6.717 1.00 0.00 N ATOM 0 H LYS A 10 -7.248 7.832 1.625 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.545 10.396 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.800 8.032 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.573 8.138 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.913 10.390 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.084 10.193 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.914 8.199 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.805 8.245 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.784 9.204 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.890 10.391 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.622 11.054 7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.616 11.507 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.041 10.182 7.142 1.00 0.00 H new ATOM 123 N GLN A 11 -4.796 10.938 1.132 1.00 0.00 N ATOM 124 CA GLN A 11 -4.092 11.397 -0.059 1.00 0.00 C ATOM 125 C GLN A 11 -2.924 12.304 0.313 1.00 0.00 C ATOM 126 O GLN A 11 -3.099 13.304 1.009 1.00 0.00 O ATOM 127 CB GLN A 11 -5.052 12.138 -0.991 1.00 0.00 C ATOM 128 CG GLN A 11 -5.695 13.360 -0.355 1.00 0.00 C ATOM 129 CD GLN A 11 -6.945 13.809 -1.086 1.00 0.00 C ATOM 130 OE1 GLN A 11 -8.017 13.928 -0.491 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.815 14.060 -2.383 1.00 0.00 N ATOM 0 H GLN A 11 -4.657 11.523 1.956 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.698 10.522 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.511 12.446 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.835 11.452 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.946 13.136 0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.975 14.178 -0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.908 13.948 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.622 14.365 -2.927 1.00 0.00 H new ATOM 140 N GLY A 12 -1.731 11.948 -0.155 1.00 0.00 N ATOM 141 CA GLY A 12 -0.552 12.741 0.140 1.00 0.00 C ATOM 142 C GLY A 12 0.633 12.360 -0.724 1.00 0.00 C ATOM 143 O GLY A 12 0.556 11.422 -1.518 1.00 0.00 O ATOM 0 H GLY A 12 -1.560 11.125 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.781 13.796 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.287 12.616 1.190 1.00 0.00 H new ATOM 147 N TYR A 13 1.733 13.091 -0.573 1.00 0.00 N ATOM 148 CA TYR A 13 2.938 12.828 -1.350 1.00 0.00 C ATOM 149 C TYR A 13 3.864 11.867 -0.609 1.00 0.00 C ATOM 150 O TYR A 13 4.549 12.253 0.337 1.00 0.00 O ATOM 151 CB TYR A 13 3.674 14.135 -1.648 1.00 0.00 C ATOM 152 CG TYR A 13 3.143 14.866 -2.860 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.163 14.274 -4.117 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.621 16.149 -2.749 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.680 14.938 -5.227 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.134 16.820 -3.854 1.00 0.00 C ATOM 157 CZ TYR A 13 2.166 16.211 -5.091 1.00 0.00 C ATOM 158 OH TYR A 13 1.683 16.875 -6.195 1.00 0.00 O ATOM 0 H TYR A 13 1.814 13.870 0.080 1.00 0.00 H new ATOM 0 HA TYR A 13 2.640 12.365 -2.291 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.602 14.789 -0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.732 13.920 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.563 13.277 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.596 16.630 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.704 14.463 -6.197 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.730 17.816 -3.750 1.00 0.00 H new ATOM 0 HH TYR A 13 1.990 16.423 -7.009 1.00 0.00 H new ATOM 168 N MET A 14 3.879 10.613 -1.050 1.00 0.00 N ATOM 169 CA MET A 14 4.722 9.597 -0.431 1.00 0.00 C ATOM 170 C MET A 14 5.791 9.111 -1.404 1.00 0.00 C ATOM 171 O MET A 14 5.647 9.250 -2.618 1.00 0.00 O ATOM 172 CB MET A 14 3.871 8.416 0.041 1.00 0.00 C ATOM 173 CG MET A 14 2.880 8.781 1.135 1.00 0.00 C ATOM 174 SD MET A 14 2.201 7.332 1.968 1.00 0.00 S ATOM 175 CE MET A 14 1.369 6.518 0.606 1.00 0.00 C ATOM 0 H MET A 14 3.318 10.277 -1.833 1.00 0.00 H new ATOM 0 HA MET A 14 5.217 10.046 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.326 8.008 -0.810 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.529 7.627 0.406 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.373 9.419 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.065 9.362 0.703 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.883 5.611 0.966 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.620 7.188 0.184 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.097 6.258 -0.162 1.00 0.00 H new ATOM 185 N MET A 15 6.863 8.541 -0.863 1.00 0.00 N ATOM 186 CA MET A 15 7.956 8.034 -1.685 1.00 0.00 C ATOM 187 C MET A 15 7.861 6.519 -1.841 1.00 0.00 C ATOM 188 O MET A 15 7.967 5.776 -0.866 1.00 0.00 O ATOM 189 CB MET A 15 9.304 8.411 -1.068 1.00 0.00 C ATOM 190 CG MET A 15 9.731 9.838 -1.368 1.00 0.00 C ATOM 191 SD MET A 15 11.506 10.089 -1.166 1.00 0.00 S ATOM 192 CE MET A 15 12.070 9.884 -2.854 1.00 0.00 C ATOM 0 H MET A 15 6.998 8.419 0.141 1.00 0.00 H new ATOM 0 HA MET A 15 7.877 8.489 -2.672 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.250 8.276 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.068 7.727 -1.437 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.446 10.091 -2.389 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.194 10.520 -0.709 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.956 9.249 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.282 9.420 -3.447 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.316 10.858 -3.276 1.00 0.00 H new ATOM 202 N LYS A 16 7.660 6.068 -3.075 1.00 0.00 N ATOM 203 CA LYS A 16 7.551 4.642 -3.360 1.00 0.00 C ATOM 204 C LYS A 16 8.811 4.128 -4.050 1.00 0.00 C ATOM 205 O LYS A 16 9.407 4.822 -4.874 1.00 0.00 O ATOM 206 CB LYS A 16 6.328 4.368 -4.238 1.00 0.00 C ATOM 207 CG LYS A 16 6.183 2.911 -4.641 1.00 0.00 C ATOM 208 CD LYS A 16 5.472 2.771 -5.977 1.00 0.00 C ATOM 209 CE LYS A 16 5.031 1.336 -6.226 1.00 0.00 C ATOM 210 NZ LYS A 16 6.192 0.411 -6.340 1.00 0.00 N ATOM 0 H LYS A 16 7.569 6.670 -3.894 1.00 0.00 H new ATOM 0 HA LYS A 16 7.435 4.115 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.430 4.680 -3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.392 4.980 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.169 2.449 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.626 2.374 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.603 3.429 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.136 3.093 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.384 1.008 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.440 1.291 -7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.183 -0.043 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.076 0.947 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.129 -0.318 -5.601 1.00 0.00 H new ATOM 224 N LYS A 17 9.210 2.907 -3.710 1.00 0.00 N ATOM 225 CA LYS A 17 10.397 2.298 -4.298 1.00 0.00 C ATOM 226 C LYS A 17 10.033 1.483 -5.536 1.00 0.00 C ATOM 227 O LYS A 17 9.200 0.580 -5.473 1.00 0.00 O ATOM 228 CB LYS A 17 11.097 1.403 -3.273 1.00 0.00 C ATOM 229 CG LYS A 17 12.570 1.177 -3.570 1.00 0.00 C ATOM 230 CD LYS A 17 13.311 0.658 -2.349 1.00 0.00 C ATOM 231 CE LYS A 17 13.234 -0.858 -2.252 1.00 0.00 C ATOM 232 NZ LYS A 17 13.982 -1.523 -3.355 1.00 0.00 N ATOM 0 H LYS A 17 8.728 2.319 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 17 11.075 3.097 -4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.999 1.851 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.590 0.439 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.672 0.465 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.023 2.111 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.355 0.968 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.887 1.103 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.638 -1.182 -1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.190 -1.171 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.242 -2.488 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.383 -1.565 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.844 -0.981 -3.566 1.00 0.00 H new ATOM 355 N TRP A 24 14.110 5.390 -4.762 1.00 0.00 N ATOM 356 CA TRP A 24 12.930 6.021 -4.180 1.00 0.00 C ATOM 357 C TRP A 24 12.536 7.266 -4.967 1.00 0.00 C ATOM 358 O TRP A 24 13.394 8.004 -5.453 1.00 0.00 O ATOM 359 CB TRP A 24 13.192 6.388 -2.718 1.00 0.00 C ATOM 360 CG TRP A 24 13.346 5.194 -1.825 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.505 4.529 -1.540 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.308 4.524 -1.103 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.248 3.486 -0.683 1.00 0.00 N ATOM 364 CE2 TRP A 24 12.908 3.462 -0.399 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.930 4.719 -0.980 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.177 2.599 0.412 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.205 3.862 -0.174 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.829 2.813 0.514 1.00 0.00 C ATOM 0 HA TRP A 24 12.106 5.309 -4.226 1.00 0.00 H new ATOM 0 HB2 TRP A 24 14.095 6.996 -2.659 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.370 7.003 -2.352 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.479 4.785 -1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.943 2.835 -0.317 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.440 5.525 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.656 1.789 0.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.139 4.003 -0.073 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.235 2.161 1.137 1.00 0.00 H new ATOM 379 N THR A 25 11.232 7.496 -5.089 1.00 0.00 N ATOM 380 CA THR A 25 10.724 8.651 -5.817 1.00 0.00 C ATOM 381 C THR A 25 9.365 9.086 -5.280 1.00 0.00 C ATOM 382 O THR A 25 8.517 8.252 -4.966 1.00 0.00 O ATOM 383 CB THR A 25 10.597 8.354 -7.323 1.00 0.00 C ATOM 384 OG1 THR A 25 9.718 7.243 -7.531 1.00 0.00 O ATOM 385 CG2 THR A 25 11.958 8.052 -7.932 1.00 0.00 C ATOM 0 H THR A 25 10.508 6.896 -4.692 1.00 0.00 H new ATOM 0 HA THR A 25 11.443 9.457 -5.672 1.00 0.00 H new ATOM 0 HB THR A 25 10.186 9.238 -7.812 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.641 7.062 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.843 7.845 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.615 8.911 -7.798 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.393 7.183 -7.439 1.00 0.00 H new ATOM 393 N GLU A 26 9.166 10.396 -5.179 1.00 0.00 N ATOM 394 CA GLU A 26 7.909 10.941 -4.679 1.00 0.00 C ATOM 395 C GLU A 26 6.773 10.677 -5.663 1.00 0.00 C ATOM 396 O GLU A 26 6.979 10.662 -6.876 1.00 0.00 O ATOM 397 CB GLU A 26 8.042 12.444 -4.429 1.00 0.00 C ATOM 398 CG GLU A 26 7.122 12.963 -3.337 1.00 0.00 C ATOM 399 CD GLU A 26 7.760 12.910 -1.962 1.00 0.00 C ATOM 400 OE1 GLU A 26 9.003 12.982 -1.881 1.00 0.00 O ATOM 401 OE2 GLU A 26 7.014 12.795 -0.967 1.00 0.00 O ATOM 0 H GLU A 26 9.858 11.099 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 26 7.676 10.443 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.074 12.669 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.830 12.978 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.840 13.991 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.204 12.375 -3.330 1.00 0.00 H new ATOM 408 N ARG A 27 5.573 10.468 -5.130 1.00 0.00 N ATOM 409 CA ARG A 27 4.404 10.203 -5.960 1.00 0.00 C ATOM 410 C ARG A 27 3.119 10.334 -5.147 1.00 0.00 C ATOM 411 O ARG A 27 3.073 9.959 -3.976 1.00 0.00 O ATOM 412 CB ARG A 27 4.493 8.803 -6.570 1.00 0.00 C ATOM 413 CG ARG A 27 5.452 8.711 -7.746 1.00 0.00 C ATOM 414 CD ARG A 27 5.025 7.633 -8.730 1.00 0.00 C ATOM 415 NE ARG A 27 6.166 7.041 -9.422 1.00 0.00 N ATOM 416 CZ ARG A 27 6.886 7.684 -10.336 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.583 8.932 -10.664 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.910 7.078 -10.922 1.00 0.00 N ATOM 0 H ARG A 27 5.385 10.477 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 27 4.383 10.941 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.808 8.099 -5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.500 8.494 -6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.497 9.673 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.456 8.495 -7.382 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.479 6.853 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.339 8.061 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 27 6.425 6.082 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.796 9.401 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.137 9.424 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.146 6.118 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.462 7.572 -11.623 1.00 0.00 H new ATOM 432 N TRP A 28 2.080 10.870 -5.777 1.00 0.00 N ATOM 433 CA TRP A 28 0.794 11.052 -5.112 1.00 0.00 C ATOM 434 C TRP A 28 0.086 9.715 -4.922 1.00 0.00 C ATOM 435 O TRP A 28 0.050 8.886 -5.832 1.00 0.00 O ATOM 436 CB TRP A 28 -0.091 12.002 -5.919 1.00 0.00 C ATOM 437 CG TRP A 28 -1.265 12.521 -5.146 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.578 12.194 -5.332 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.233 13.460 -4.066 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.364 12.873 -4.433 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.563 13.656 -3.645 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.211 14.153 -3.413 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.894 14.516 -2.601 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.541 15.007 -2.377 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.873 15.182 -1.979 1.00 0.00 C ATOM 0 H TRP A 28 2.102 11.186 -6.747 1.00 0.00 H new ATOM 0 HA TRP A 28 0.979 11.487 -4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.510 12.844 -6.262 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.451 11.485 -6.808 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.945 11.503 -6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.379 12.805 -4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.819 14.024 -3.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.920 14.653 -2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.241 15.548 -1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.098 15.856 -1.165 1.00 0.00 H new ATOM 456 N PHE A 29 -0.477 9.512 -3.736 1.00 0.00 N ATOM 457 CA PHE A 29 -1.185 8.274 -3.427 1.00 0.00 C ATOM 458 C PHE A 29 -2.624 8.561 -3.010 1.00 0.00 C ATOM 459 O PHE A 29 -2.921 9.611 -2.441 1.00 0.00 O ATOM 460 CB PHE A 29 -0.462 7.512 -2.315 1.00 0.00 C ATOM 461 CG PHE A 29 0.599 6.577 -2.821 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.869 7.044 -3.120 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.326 5.230 -2.998 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.847 6.186 -3.586 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.301 4.367 -3.463 1.00 0.00 C ATOM 466 CZ PHE A 29 2.562 4.846 -3.758 1.00 0.00 C ATOM 0 H PHE A 29 -0.457 10.188 -2.973 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.202 7.659 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.007 8.228 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.193 6.943 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.097 8.091 -2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.659 4.850 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.833 6.563 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.076 3.319 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.324 4.173 -4.123 1.00 0.00 H new ATOM 476 N VAL A 30 -3.516 7.618 -3.298 1.00 0.00 N ATOM 477 CA VAL A 30 -4.925 7.767 -2.953 1.00 0.00 C ATOM 478 C VAL A 30 -5.475 6.492 -2.325 1.00 0.00 C ATOM 479 O VAL A 30 -5.849 5.552 -3.028 1.00 0.00 O ATOM 480 CB VAL A 30 -5.771 8.124 -4.190 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.222 8.355 -3.796 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.199 9.346 -4.892 1.00 0.00 C ATOM 0 H VAL A 30 -3.288 6.743 -3.769 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.990 8.581 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.738 7.286 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.804 8.606 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.624 7.449 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.279 9.175 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.809 9.584 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.200 10.193 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.177 9.138 -5.210 1.00 0.00 H new ATOM 492 N LEU A 31 -5.522 6.465 -0.998 1.00 0.00 N ATOM 493 CA LEU A 31 -6.028 5.304 -0.274 1.00 0.00 C ATOM 494 C LEU A 31 -7.546 5.210 -0.388 1.00 0.00 C ATOM 495 O LEU A 31 -8.278 5.830 0.384 1.00 0.00 O ATOM 496 CB LEU A 31 -5.620 5.380 1.199 1.00 0.00 C ATOM 497 CG LEU A 31 -6.338 4.417 2.145 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.912 2.983 1.872 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.065 4.791 3.594 1.00 0.00 C ATOM 0 H LEU A 31 -5.216 7.234 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.593 4.410 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.548 5.194 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.791 6.398 1.550 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.411 4.495 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.433 2.312 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.160 2.719 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.836 2.888 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.584 4.095 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.993 4.743 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.422 5.804 3.782 1.00 0.00 H new ATOM 511 N LYS A 32 -8.013 4.427 -1.355 1.00 0.00 N ATOM 512 CA LYS A 32 -9.444 4.247 -1.570 1.00 0.00 C ATOM 513 C LYS A 32 -10.032 3.288 -0.540 1.00 0.00 C ATOM 514 O LYS A 32 -9.315 2.560 0.146 1.00 0.00 O ATOM 515 CB LYS A 32 -9.707 3.720 -2.982 1.00 0.00 C ATOM 516 CG LYS A 32 -10.041 4.810 -3.986 1.00 0.00 C ATOM 517 CD LYS A 32 -8.796 5.316 -4.696 1.00 0.00 C ATOM 518 CE LYS A 32 -9.075 6.599 -5.463 1.00 0.00 C ATOM 519 NZ LYS A 32 -7.951 6.957 -6.373 1.00 0.00 N ATOM 0 H LYS A 32 -7.421 3.907 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.928 5.217 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.828 3.177 -3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.530 3.006 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.748 4.425 -4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.531 5.639 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.006 5.492 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.432 4.552 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.990 6.483 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.246 7.413 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.863 7.992 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.066 6.552 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.139 6.577 -7.323 1.00 0.00 H new ATOM 533 N PRO A 33 -11.369 3.283 -0.430 1.00 0.00 N ATOM 534 CA PRO A 33 -12.083 2.416 0.512 1.00 0.00 C ATOM 535 C PRO A 33 -12.013 0.946 0.113 1.00 0.00 C ATOM 536 O PRO A 33 -12.062 0.059 0.964 1.00 0.00 O ATOM 537 CB PRO A 33 -13.525 2.922 0.437 1.00 0.00 C ATOM 538 CG PRO A 33 -13.640 3.543 -0.912 1.00 0.00 C ATOM 539 CD PRO A 33 -12.287 4.124 -1.217 1.00 0.00 C ATOM 0 HA PRO A 33 -11.653 2.460 1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.237 2.106 0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.732 3.646 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.924 2.802 -1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.408 4.316 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.061 4.078 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.224 5.172 -0.923 1.00 0.00 H new ATOM 547 N ASN A 34 -11.897 0.695 -1.187 1.00 0.00 N ATOM 548 CA ASN A 34 -11.820 -0.669 -1.698 1.00 0.00 C ATOM 549 C ASN A 34 -10.669 -0.815 -2.688 1.00 0.00 C ATOM 550 O ASN A 34 -10.691 -1.686 -3.558 1.00 0.00 O ATOM 551 CB ASN A 34 -13.138 -1.058 -2.371 1.00 0.00 C ATOM 552 CG ASN A 34 -13.144 -2.501 -2.839 1.00 0.00 C ATOM 553 OD1 ASN A 34 -12.211 -3.257 -2.569 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.200 -2.889 -3.545 1.00 0.00 N ATOM 0 H ASN A 34 -11.854 1.418 -1.905 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.638 -1.336 -0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.960 -0.902 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.315 -0.402 -3.223 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.260 -3.848 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.951 -2.228 -3.745 1.00 0.00 H new ATOM 561 N ILE A 35 -9.664 0.043 -2.549 1.00 0.00 N ATOM 562 CA ILE A 35 -8.503 0.009 -3.429 1.00 0.00 C ATOM 563 C ILE A 35 -7.482 1.071 -3.035 1.00 0.00 C ATOM 564 O ILE A 35 -7.708 1.850 -2.108 1.00 0.00 O ATOM 565 CB ILE A 35 -8.905 0.221 -4.900 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.860 -0.397 -5.832 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.074 1.704 -5.195 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.446 -0.961 -7.107 1.00 0.00 C ATOM 0 H ILE A 35 -9.631 0.771 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.056 -0.979 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.859 -0.276 -5.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.119 0.360 -6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.335 -1.191 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.358 1.837 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.851 2.117 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.134 2.222 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.648 -1.382 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.166 -1.742 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.946 -0.166 -7.660 1.00 0.00 H new ATOM 580 N ILE A 36 -6.359 1.097 -3.745 1.00 0.00 N ATOM 581 CA ILE A 36 -5.305 2.066 -3.471 1.00 0.00 C ATOM 582 C ILE A 36 -4.563 2.447 -4.748 1.00 0.00 C ATOM 583 O ILE A 36 -3.755 1.673 -5.263 1.00 0.00 O ATOM 584 CB ILE A 36 -4.293 1.522 -2.446 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.989 1.235 -1.113 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.153 2.510 -2.252 1.00 0.00 C ATOM 587 CD1 ILE A 36 -4.039 0.815 -0.014 1.00 0.00 C ATOM 0 H ILE A 36 -6.156 0.458 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.789 2.950 -3.057 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.878 0.589 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.529 2.127 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.730 0.450 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.446 2.111 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.644 2.670 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.551 3.458 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.601 0.628 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.518 -0.095 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.313 1.608 0.162 1.00 0.00 H new ATOM 599 N SER A 37 -4.842 3.644 -5.253 1.00 0.00 N ATOM 600 CA SER A 37 -4.202 4.127 -6.471 1.00 0.00 C ATOM 601 C SER A 37 -3.082 5.110 -6.144 1.00 0.00 C ATOM 602 O SER A 37 -2.936 5.543 -5.000 1.00 0.00 O ATOM 603 CB SER A 37 -5.233 4.797 -7.383 1.00 0.00 C ATOM 604 OG SER A 37 -6.313 3.923 -7.659 1.00 0.00 O ATOM 0 H SER A 37 -5.507 4.297 -4.838 1.00 0.00 H new ATOM 0 HA SER A 37 -3.770 3.270 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.607 5.704 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.757 5.098 -8.316 1.00 0.00 H new ATOM 0 HG SER A 37 -6.959 4.375 -8.242 1.00 0.00 H new ATOM 610 N TYR A 38 -2.294 5.457 -7.155 1.00 0.00 N ATOM 611 CA TYR A 38 -1.185 6.386 -6.975 1.00 0.00 C ATOM 612 C TYR A 38 -0.886 7.136 -8.270 1.00 0.00 C ATOM 613 O TYR A 38 -0.519 6.533 -9.279 1.00 0.00 O ATOM 614 CB TYR A 38 0.065 5.638 -6.506 1.00 0.00 C ATOM 615 CG TYR A 38 0.464 4.498 -7.416 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.159 3.259 -7.324 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.464 4.660 -8.367 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.204 2.215 -8.152 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.832 3.621 -9.200 1.00 0.00 C ATOM 620 CZ TYR A 38 1.199 2.401 -9.089 1.00 0.00 C ATOM 621 OH TYR A 38 1.562 1.363 -9.917 1.00 0.00 O ATOM 0 H TYR A 38 -2.403 5.109 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.473 7.111 -6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.894 6.342 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.110 5.248 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.940 3.110 -6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.962 5.614 -8.457 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.289 1.258 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.611 3.764 -9.934 1.00 0.00 H new ATOM 0 HH TYR A 38 2.276 1.659 -10.519 1.00 0.00 H new ATOM 631 N TYR A 39 -1.047 8.454 -8.234 1.00 0.00 N ATOM 632 CA TYR A 39 -0.797 9.287 -9.404 1.00 0.00 C ATOM 633 C TYR A 39 0.546 10.000 -9.288 1.00 0.00 C ATOM 634 O TYR A 39 0.885 10.544 -8.237 1.00 0.00 O ATOM 635 CB TYR A 39 -1.919 10.313 -9.574 1.00 0.00 C ATOM 636 CG TYR A 39 -3.299 9.698 -9.627 1.00 0.00 C ATOM 637 CD1 TYR A 39 -3.967 9.341 -8.462 1.00 0.00 C ATOM 638 CD2 TYR A 39 -3.935 9.472 -10.842 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.228 8.778 -8.505 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.196 8.911 -10.894 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.839 8.566 -9.723 1.00 0.00 C ATOM 642 OH TYR A 39 -7.095 8.006 -9.772 1.00 0.00 O ATOM 0 H TYR A 39 -1.350 8.969 -7.407 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.769 8.640 -10.281 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.878 11.023 -8.748 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.747 10.879 -10.490 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.492 9.507 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.435 9.740 -11.761 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.732 8.505 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.676 8.743 -11.847 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.381 7.926 -10.706 1.00 0.00 H new ATOM 652 N VAL A 40 1.308 9.994 -10.377 1.00 0.00 N ATOM 653 CA VAL A 40 2.615 10.641 -10.400 1.00 0.00 C ATOM 654 C VAL A 40 2.539 12.052 -9.829 1.00 0.00 C ATOM 655 O VAL A 40 3.553 12.629 -9.436 1.00 0.00 O ATOM 656 CB VAL A 40 3.182 10.708 -11.830 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.639 9.332 -12.289 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.148 11.283 -12.787 1.00 0.00 C ATOM 0 H VAL A 40 1.043 9.548 -11.255 1.00 0.00 H new ATOM 0 HA VAL A 40 3.279 10.037 -9.782 1.00 0.00 H new ATOM 0 HB VAL A 40 4.048 11.369 -11.828 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.037 9.400 -13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.415 8.964 -11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.793 8.645 -12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.566 11.323 -13.793 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.261 10.650 -12.788 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.876 12.289 -12.467 1.00 0.00 H new ATOM 668 N SER A 41 1.330 12.603 -9.784 1.00 0.00 N ATOM 669 CA SER A 41 1.121 13.949 -9.263 1.00 0.00 C ATOM 670 C SER A 41 -0.135 14.008 -8.399 1.00 0.00 C ATOM 671 O SER A 41 -0.875 13.031 -8.294 1.00 0.00 O ATOM 672 CB SER A 41 1.011 14.952 -10.413 1.00 0.00 C ATOM 673 OG SER A 41 2.250 15.095 -11.085 1.00 0.00 O ATOM 0 H SER A 41 0.480 12.138 -10.102 1.00 0.00 H new ATOM 0 HA SER A 41 1.979 14.210 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.248 14.620 -11.117 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.689 15.919 -10.027 1.00 0.00 H new ATOM 0 HG SER A 41 2.153 15.740 -11.816 1.00 0.00 H new ATOM 679 N GLU A 42 -0.367 15.163 -7.783 1.00 0.00 N ATOM 680 CA GLU A 42 -1.533 15.350 -6.927 1.00 0.00 C ATOM 681 C GLU A 42 -2.699 15.939 -7.717 1.00 0.00 C ATOM 682 O GLU A 42 -3.551 16.632 -7.161 1.00 0.00 O ATOM 683 CB GLU A 42 -1.188 16.263 -5.749 1.00 0.00 C ATOM 684 CG GLU A 42 -1.162 17.739 -6.110 1.00 0.00 C ATOM 685 CD GLU A 42 -0.487 18.587 -5.050 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.764 18.371 -3.851 1.00 0.00 O ATOM 687 OE2 GLU A 42 0.318 19.468 -5.419 1.00 0.00 O ATOM 0 H GLU A 42 0.236 15.982 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.831 14.374 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.915 16.105 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.214 15.977 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.641 17.868 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.183 18.091 -6.256 1.00 0.00 H new ATOM 694 N ASP A 43 -2.727 15.659 -9.015 1.00 0.00 N ATOM 695 CA ASP A 43 -3.787 16.160 -9.882 1.00 0.00 C ATOM 696 C ASP A 43 -4.784 15.055 -10.217 1.00 0.00 C ATOM 697 O ASP A 43 -5.927 15.325 -10.586 1.00 0.00 O ATOM 698 CB ASP A 43 -3.194 16.736 -11.169 1.00 0.00 C ATOM 699 CG ASP A 43 -4.098 17.770 -11.811 1.00 0.00 C ATOM 700 OD1 ASP A 43 -4.962 18.326 -11.102 1.00 0.00 O ATOM 701 OD2 ASP A 43 -3.940 18.024 -13.023 1.00 0.00 O ATOM 0 H ASP A 43 -2.028 15.088 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.314 16.951 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.227 17.189 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.013 15.927 -11.876 1.00 0.00 H new ATOM 706 N LEU A 44 -4.342 13.809 -10.087 1.00 0.00 N ATOM 707 CA LEU A 44 -5.195 12.661 -10.377 1.00 0.00 C ATOM 708 C LEU A 44 -5.479 12.557 -11.872 1.00 0.00 C ATOM 709 O LEU A 44 -6.578 12.184 -12.282 1.00 0.00 O ATOM 710 CB LEU A 44 -6.509 12.768 -9.602 1.00 0.00 C ATOM 711 CG LEU A 44 -6.394 13.208 -8.142 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.774 13.428 -7.541 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.616 12.179 -7.335 1.00 0.00 C ATOM 0 H LEU A 44 -3.399 13.568 -9.783 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.668 11.760 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.158 13.472 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.004 11.797 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.851 14.152 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.673 13.741 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.297 14.202 -8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.343 12.499 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.544 12.508 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.131 11.219 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.615 12.071 -7.752 1.00 0.00 H new ATOM 725 N LYS A 45 -4.480 12.888 -12.683 1.00 0.00 N ATOM 726 CA LYS A 45 -4.620 12.829 -14.133 1.00 0.00 C ATOM 727 C LYS A 45 -3.757 11.715 -14.718 1.00 0.00 C ATOM 728 O LYS A 45 -4.222 10.923 -15.538 1.00 0.00 O ATOM 729 CB LYS A 45 -4.231 14.171 -14.758 1.00 0.00 C ATOM 730 CG LYS A 45 -5.007 15.350 -14.198 1.00 0.00 C ATOM 731 CD LYS A 45 -6.284 15.602 -14.983 1.00 0.00 C ATOM 732 CE LYS A 45 -6.038 16.527 -16.165 1.00 0.00 C ATOM 733 NZ LYS A 45 -5.952 17.953 -15.745 1.00 0.00 N ATOM 0 H LYS A 45 -3.564 13.200 -12.360 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.664 12.616 -14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.166 14.340 -14.601 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.390 14.120 -15.835 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.253 15.161 -13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.382 16.243 -14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.686 14.654 -15.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.035 16.041 -14.326 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.113 16.239 -16.665 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.842 16.410 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.418 18.493 -16.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.910 18.348 -15.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.468 18.016 -14.827 1.00 0.00 H new ATOM 747 N ASP A 46 -2.501 11.660 -14.291 1.00 0.00 N ATOM 748 CA ASP A 46 -1.574 10.641 -14.771 1.00 0.00 C ATOM 749 C ASP A 46 -1.441 9.508 -13.759 1.00 0.00 C ATOM 750 O ASP A 46 -0.685 9.609 -12.792 1.00 0.00 O ATOM 751 CB ASP A 46 -0.202 11.258 -15.047 1.00 0.00 C ATOM 752 CG ASP A 46 -0.110 11.868 -16.432 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.064 12.564 -16.839 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.917 11.650 -17.109 1.00 0.00 O ATOM 0 H ASP A 46 -2.101 12.309 -13.613 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.973 10.231 -15.699 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.005 12.025 -14.301 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.566 10.492 -14.939 1.00 0.00 H new ATOM 759 N LYS A 47 -2.182 8.428 -13.987 1.00 0.00 N ATOM 760 CA LYS A 47 -2.148 7.274 -13.096 1.00 0.00 C ATOM 761 C LYS A 47 -1.124 6.249 -13.573 1.00 0.00 C ATOM 762 O LYS A 47 -0.933 6.059 -14.774 1.00 0.00 O ATOM 763 CB LYS A 47 -3.532 6.628 -13.012 1.00 0.00 C ATOM 764 CG LYS A 47 -3.648 5.577 -11.921 1.00 0.00 C ATOM 765 CD LYS A 47 -5.095 5.178 -11.683 1.00 0.00 C ATOM 766 CE LYS A 47 -5.574 4.174 -12.721 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.035 4.298 -12.979 1.00 0.00 N ATOM 0 H LYS A 47 -2.814 8.328 -14.782 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.855 7.620 -12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.276 7.405 -12.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.769 6.170 -13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.068 4.697 -12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.219 5.962 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.196 4.749 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.728 6.065 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.027 4.325 -13.652 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.350 3.163 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.322 3.597 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.559 4.129 -12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.246 5.254 -13.329 1.00 0.00 H new ATOM 781 N LYS A 48 -0.468 5.589 -12.624 1.00 0.00 N ATOM 782 CA LYS A 48 0.534 4.580 -12.946 1.00 0.00 C ATOM 783 C LYS A 48 -0.049 3.176 -12.826 1.00 0.00 C ATOM 784 O LYS A 48 0.240 2.302 -13.642 1.00 0.00 O ATOM 785 CB LYS A 48 1.745 4.722 -12.022 1.00 0.00 C ATOM 786 CG LYS A 48 2.806 5.673 -12.550 1.00 0.00 C ATOM 787 CD LYS A 48 3.537 5.084 -13.745 1.00 0.00 C ATOM 788 CE LYS A 48 4.204 6.167 -14.579 1.00 0.00 C ATOM 789 NZ LYS A 48 5.594 6.442 -14.121 1.00 0.00 N ATOM 0 H LYS A 48 -0.613 5.735 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 48 0.851 4.735 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.408 5.073 -11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.193 3.740 -11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.341 6.616 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.521 5.897 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.289 4.374 -13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.834 4.527 -14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.220 5.862 -15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.615 7.083 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.014 7.186 -14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.577 6.758 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.163 5.575 -14.198 1.00 0.00 H new ATOM 803 N GLY A 49 -0.873 2.967 -11.803 1.00 0.00 N ATOM 804 CA GLY A 49 -1.484 1.668 -11.596 1.00 0.00 C ATOM 805 C GLY A 49 -2.510 1.681 -10.481 1.00 0.00 C ATOM 806 O GLY A 49 -2.963 2.744 -10.057 1.00 0.00 O ATOM 0 H GLY A 49 -1.128 3.675 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.961 1.343 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.709 0.938 -11.364 1.00 0.00 H new ATOM 810 N ASP A 50 -2.879 0.497 -10.005 1.00 0.00 N ATOM 811 CA ASP A 50 -3.859 0.375 -8.932 1.00 0.00 C ATOM 812 C ASP A 50 -3.615 -0.888 -8.112 1.00 0.00 C ATOM 813 O ASP A 50 -3.307 -1.946 -8.661 1.00 0.00 O ATOM 814 CB ASP A 50 -5.277 0.358 -9.507 1.00 0.00 C ATOM 815 CG ASP A 50 -5.331 -0.245 -10.896 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.810 0.388 -11.839 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.893 -1.350 -11.042 1.00 0.00 O ATOM 0 H ASP A 50 -2.514 -0.393 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.751 1.239 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.929 -0.209 -8.842 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.664 1.376 -9.541 1.00 0.00 H new ATOM 822 N ILE A 51 -3.752 -0.768 -6.796 1.00 0.00 N ATOM 823 CA ILE A 51 -3.546 -1.900 -5.901 1.00 0.00 C ATOM 824 C ILE A 51 -4.875 -2.450 -5.394 1.00 0.00 C ATOM 825 O ILE A 51 -5.462 -1.915 -4.453 1.00 0.00 O ATOM 826 CB ILE A 51 -2.670 -1.512 -4.695 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.309 -0.999 -5.169 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.498 -2.701 -3.761 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.653 -0.041 -4.199 1.00 0.00 C ATOM 0 H ILE A 51 -4.005 0.101 -6.326 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.034 -2.670 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.167 -0.712 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.646 -1.849 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.432 -0.502 -6.131 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.877 -2.411 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.474 -3.025 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.020 -3.520 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.308 0.282 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.296 0.827 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.498 -0.541 -3.243 1.00 0.00 H new ATOM 841 N LEU A 52 -5.343 -3.522 -6.023 1.00 0.00 N ATOM 842 CA LEU A 52 -6.603 -4.147 -5.635 1.00 0.00 C ATOM 843 C LEU A 52 -6.578 -4.556 -4.166 1.00 0.00 C ATOM 844 O LEU A 52 -5.939 -5.542 -3.796 1.00 0.00 O ATOM 845 CB LEU A 52 -6.880 -5.369 -6.513 1.00 0.00 C ATOM 846 CG LEU A 52 -6.778 -5.149 -8.022 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.963 -6.462 -8.767 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.803 -4.124 -8.483 1.00 0.00 C ATOM 0 H LEU A 52 -4.869 -3.977 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.401 -3.418 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.182 -6.158 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.882 -5.735 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.783 -4.764 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.887 -6.285 -9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.190 -7.167 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.944 -6.876 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.715 -3.981 -9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.806 -4.479 -8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.624 -3.176 -7.975 1.00 0.00 H new ATOM 860 N LEU A 53 -7.279 -3.794 -3.333 1.00 0.00 N ATOM 861 CA LEU A 53 -7.339 -4.079 -1.904 1.00 0.00 C ATOM 862 C LEU A 53 -8.188 -5.316 -1.630 1.00 0.00 C ATOM 863 O LEU A 53 -9.281 -5.465 -2.177 1.00 0.00 O ATOM 864 CB LEU A 53 -7.911 -2.878 -1.149 1.00 0.00 C ATOM 865 CG LEU A 53 -6.900 -1.817 -0.712 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.597 -0.690 0.034 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.814 -2.439 0.153 1.00 0.00 C ATOM 0 H LEU A 53 -7.813 -2.975 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.325 -4.272 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.659 -2.400 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.429 -3.244 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.432 -1.400 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.862 0.055 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.337 -0.225 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.093 -1.091 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.104 -1.669 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.265 -2.884 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.294 -3.210 -0.415 1.00 0.00 H new ATOM 879 N ASP A 54 -7.678 -6.201 -0.780 1.00 0.00 N ATOM 880 CA ASP A 54 -8.390 -7.424 -0.431 1.00 0.00 C ATOM 881 C ASP A 54 -7.908 -7.971 0.909 1.00 0.00 C ATOM 882 O ASP A 54 -6.756 -7.770 1.293 1.00 0.00 O ATOM 883 CB ASP A 54 -8.203 -8.478 -1.523 1.00 0.00 C ATOM 884 CG ASP A 54 -8.756 -8.030 -2.862 1.00 0.00 C ATOM 885 OD1 ASP A 54 -9.949 -8.288 -3.127 1.00 0.00 O ATOM 886 OD2 ASP A 54 -7.996 -7.422 -3.643 1.00 0.00 O ATOM 0 H ASP A 54 -6.774 -6.094 -0.320 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.450 -7.185 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.142 -8.703 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.696 -9.402 -1.220 1.00 0.00 H new ATOM 891 N GLU A 55 -8.797 -8.660 1.616 1.00 0.00 N ATOM 892 CA GLU A 55 -8.461 -9.233 2.915 1.00 0.00 C ATOM 893 C GLU A 55 -7.035 -9.776 2.917 1.00 0.00 C ATOM 894 O GLU A 55 -6.335 -9.707 3.926 1.00 0.00 O ATOM 895 CB GLU A 55 -9.444 -10.349 3.274 1.00 0.00 C ATOM 896 CG GLU A 55 -9.476 -11.482 2.261 1.00 0.00 C ATOM 897 CD GLU A 55 -10.075 -11.060 0.933 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.949 -10.168 0.934 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.670 -11.622 -0.106 1.00 0.00 O ATOM 0 H GLU A 55 -9.755 -8.835 1.312 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.531 -8.442 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.180 -10.754 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.444 -9.925 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.462 -11.848 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.053 -12.312 2.668 1.00 0.00 H new ATOM 906 N ASN A 56 -6.612 -10.317 1.779 1.00 0.00 N ATOM 907 CA ASN A 56 -5.271 -10.873 1.649 1.00 0.00 C ATOM 908 C ASN A 56 -4.212 -9.790 1.836 1.00 0.00 C ATOM 909 O ASN A 56 -3.344 -9.898 2.703 1.00 0.00 O ATOM 910 CB ASN A 56 -5.101 -11.538 0.281 1.00 0.00 C ATOM 911 CG ASN A 56 -6.173 -12.575 0.006 1.00 0.00 C ATOM 912 OD1 ASN A 56 -7.242 -12.158 -0.662 1.00 0.00 O flip ATOM 913 ND2 ASN A 56 -6.040 -13.737 0.389 1.00 0.00 N flip ATOM 0 H ASN A 56 -7.179 -10.382 0.934 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.139 -11.623 2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.129 -10.775 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.120 -12.011 0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.201 -14.013 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.769 -14.424 0.196 1.00 0.00 H new ATOM 920 N CYS A 57 -4.291 -8.747 1.017 1.00 0.00 N ATOM 921 CA CYS A 57 -3.341 -7.643 1.090 1.00 0.00 C ATOM 922 C CYS A 57 -3.279 -7.072 2.504 1.00 0.00 C ATOM 923 O CYS A 57 -4.277 -7.066 3.226 1.00 0.00 O ATOM 924 CB CYS A 57 -3.728 -6.543 0.100 1.00 0.00 C ATOM 925 SG CYS A 57 -3.478 -6.993 -1.647 1.00 0.00 S ATOM 0 H CYS A 57 -5.003 -8.643 0.295 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.355 -8.027 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.776 -6.285 0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.145 -5.649 0.321 1.00 0.00 H new ATOM 930 N CYS A 58 -2.102 -6.594 2.891 1.00 0.00 N ATOM 931 CA CYS A 58 -1.909 -6.020 4.219 1.00 0.00 C ATOM 932 C CYS A 58 -0.710 -5.078 4.235 1.00 0.00 C ATOM 933 O CYS A 58 0.088 -5.055 3.297 1.00 0.00 O ATOM 934 CB CYS A 58 -1.715 -7.130 5.253 1.00 0.00 C ATOM 935 SG CYS A 58 -0.272 -8.176 4.951 1.00 0.00 S ATOM 0 H CYS A 58 -1.267 -6.592 2.305 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.801 -5.447 4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.623 -6.679 6.241 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.607 -7.756 5.270 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.192 -9.083 5.879 1.00 0.00 H new ATOM 941 N VAL A 59 -0.589 -4.301 5.306 1.00 0.00 N ATOM 942 CA VAL A 59 0.512 -3.355 5.445 1.00 0.00 C ATOM 943 C VAL A 59 1.336 -3.651 6.693 1.00 0.00 C ATOM 944 O VAL A 59 0.789 -3.959 7.751 1.00 0.00 O ATOM 945 CB VAL A 59 0.001 -1.904 5.513 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.974 -1.734 6.668 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.167 -0.935 5.641 1.00 0.00 C ATOM 0 H VAL A 59 -1.240 -4.308 6.091 1.00 0.00 H new ATOM 0 HA VAL A 59 1.141 -3.469 4.562 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.529 -1.680 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.324 -0.702 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.824 -2.402 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.473 -1.976 7.605 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.788 0.086 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.726 -1.157 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.823 -1.039 4.777 1.00 0.00 H new ATOM 957 N GLU A 60 2.656 -3.555 6.560 1.00 0.00 N ATOM 958 CA GLU A 60 3.555 -3.813 7.679 1.00 0.00 C ATOM 959 C GLU A 60 4.621 -2.726 7.781 1.00 0.00 C ATOM 960 O GLU A 60 5.178 -2.290 6.774 1.00 0.00 O ATOM 961 CB GLU A 60 4.221 -5.182 7.521 1.00 0.00 C ATOM 962 CG GLU A 60 5.313 -5.210 6.465 1.00 0.00 C ATOM 963 CD GLU A 60 6.058 -6.530 6.430 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.393 -7.585 6.355 1.00 0.00 O ATOM 965 OE2 GLU A 60 7.305 -6.509 6.476 1.00 0.00 O ATOM 0 H GLU A 60 3.125 -3.301 5.691 1.00 0.00 H new ATOM 0 HA GLU A 60 2.965 -3.807 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.646 -5.483 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.460 -5.919 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.872 -5.020 5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.020 -4.403 6.658 1.00 0.00 H new ATOM 972 N SER A 61 4.899 -2.292 9.007 1.00 0.00 N ATOM 973 CA SER A 61 5.894 -1.252 9.242 1.00 0.00 C ATOM 974 C SER A 61 7.301 -1.844 9.273 1.00 0.00 C ATOM 975 O SER A 61 7.569 -2.799 10.002 1.00 0.00 O ATOM 976 CB SER A 61 5.605 -0.528 10.558 1.00 0.00 C ATOM 977 OG SER A 61 5.875 -1.363 11.670 1.00 0.00 O ATOM 0 H SER A 61 4.449 -2.644 9.852 1.00 0.00 H new ATOM 0 HA SER A 61 5.837 -0.537 8.422 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.213 0.375 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.562 -0.212 10.581 1.00 0.00 H new ATOM 0 HG SER A 61 6.392 -2.142 11.376 1.00 0.00 H new ATOM 983 N LEU A 62 8.195 -1.269 8.476 1.00 0.00 N ATOM 984 CA LEU A 62 9.574 -1.737 8.410 1.00 0.00 C ATOM 985 C LEU A 62 10.520 -0.739 9.070 1.00 0.00 C ATOM 986 O LEU A 62 10.343 0.476 8.979 1.00 0.00 O ATOM 987 CB LEU A 62 9.988 -1.964 6.955 1.00 0.00 C ATOM 988 CG LEU A 62 9.051 -2.836 6.119 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.493 -2.851 4.664 1.00 0.00 C ATOM 990 CD2 LEU A 62 8.999 -4.251 6.677 1.00 0.00 C ATOM 0 H LEU A 62 7.989 -0.478 7.866 1.00 0.00 H new ATOM 0 HA LEU A 62 9.637 -2.681 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.079 -0.993 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.979 -2.419 6.947 1.00 0.00 H new ATOM 0 HG LEU A 62 8.049 -2.410 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.814 -3.477 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.478 -1.835 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.504 -3.252 4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.327 -4.857 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.998 -4.687 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.634 -4.224 7.704 1.00 0.00 H new ATOM 1002 N PRO A 63 11.552 -1.262 9.751 1.00 0.00 N ATOM 1003 CA PRO A 63 12.548 -0.434 10.437 1.00 0.00 C ATOM 1004 C PRO A 63 13.446 0.320 9.462 1.00 0.00 C ATOM 1005 O PRO A 63 13.128 0.444 8.279 1.00 0.00 O ATOM 1006 CB PRO A 63 13.364 -1.452 11.238 1.00 0.00 C ATOM 1007 CG PRO A 63 13.207 -2.733 10.494 1.00 0.00 C ATOM 1008 CD PRO A 63 11.825 -2.701 9.901 1.00 0.00 C ATOM 0 HA PRO A 63 12.084 0.338 11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.411 -1.157 11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.994 -1.540 12.260 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.964 -2.827 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.326 -3.588 11.159 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.787 -3.219 8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.096 -3.182 10.553 1.00 0.00 H new ATOM 1016 N ASP A 64 14.568 0.821 9.966 1.00 0.00 N ATOM 1017 CA ASP A 64 15.514 1.562 9.138 1.00 0.00 C ATOM 1018 C ASP A 64 16.402 0.610 8.343 1.00 0.00 C ATOM 1019 O ASP A 64 17.056 -0.266 8.909 1.00 0.00 O ATOM 1020 CB ASP A 64 16.377 2.478 10.008 1.00 0.00 C ATOM 1021 CG ASP A 64 16.841 1.798 11.281 1.00 0.00 C ATOM 1022 OD1 ASP A 64 17.820 1.026 11.218 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.225 2.039 12.341 1.00 0.00 O ATOM 0 H ASP A 64 14.845 0.728 10.943 1.00 0.00 H new ATOM 0 HA ASP A 64 14.945 2.171 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.246 2.804 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.809 3.373 10.264 1.00 0.00 H new ATOM 1028 N LYS A 65 16.420 0.787 7.026 1.00 0.00 N ATOM 1029 CA LYS A 65 17.227 -0.055 6.151 1.00 0.00 C ATOM 1030 C LYS A 65 18.313 0.763 5.459 1.00 0.00 C ATOM 1031 O LYS A 65 19.497 0.437 5.542 1.00 0.00 O ATOM 1032 CB LYS A 65 16.342 -0.736 5.105 1.00 0.00 C ATOM 1033 CG LYS A 65 15.439 0.226 4.353 1.00 0.00 C ATOM 1034 CD LYS A 65 14.336 -0.509 3.610 1.00 0.00 C ATOM 1035 CE LYS A 65 14.789 -0.936 2.222 1.00 0.00 C ATOM 1036 NZ LYS A 65 15.449 -2.271 2.241 1.00 0.00 N ATOM 0 H LYS A 65 15.884 1.507 6.541 1.00 0.00 H new ATOM 0 HA LYS A 65 17.706 -0.818 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 65 16.976 -1.260 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.727 -1.489 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.997 0.935 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.032 0.805 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.033 -1.387 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.460 0.135 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.930 -0.965 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.480 -0.195 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.333 -2.229 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.661 -2.539 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.814 -2.978 1.818 1.00 0.00 H new ATOM 1050 N ASP A 66 17.901 1.827 4.778 1.00 0.00 N ATOM 1051 CA ASP A 66 18.839 2.693 4.073 1.00 0.00 C ATOM 1052 C ASP A 66 18.737 4.129 4.578 1.00 0.00 C ATOM 1053 O ASP A 66 18.446 5.047 3.813 1.00 0.00 O ATOM 1054 CB ASP A 66 18.575 2.649 2.567 1.00 0.00 C ATOM 1055 CG ASP A 66 19.353 3.708 1.812 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.600 3.695 1.887 1.00 0.00 O ATOM 1057 OD2 ASP A 66 18.716 4.549 1.145 1.00 0.00 O ATOM 0 H ASP A 66 16.924 2.110 4.699 1.00 0.00 H new ATOM 0 HA ASP A 66 19.848 2.329 4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.841 1.664 2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.509 2.785 2.384 1.00 0.00 H new ATOM 1062 N GLY A 67 18.978 4.314 5.873 1.00 0.00 N ATOM 1063 CA GLY A 67 18.907 5.641 6.458 1.00 0.00 C ATOM 1064 C GLY A 67 17.518 6.241 6.367 1.00 0.00 C ATOM 1065 O GLY A 67 17.366 7.443 6.149 1.00 0.00 O ATOM 0 H GLY A 67 19.221 3.570 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.210 5.590 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.616 6.296 5.952 1.00 0.00 H new ATOM 1069 N LYS A 68 16.501 5.402 6.533 1.00 0.00 N ATOM 1070 CA LYS A 68 15.117 5.855 6.469 1.00 0.00 C ATOM 1071 C LYS A 68 14.460 5.795 7.844 1.00 0.00 C ATOM 1072 O LYS A 68 15.020 5.235 8.787 1.00 0.00 O ATOM 1073 CB LYS A 68 14.325 5.001 5.476 1.00 0.00 C ATOM 1074 CG LYS A 68 14.472 5.453 4.033 1.00 0.00 C ATOM 1075 CD LYS A 68 13.958 6.869 3.837 1.00 0.00 C ATOM 1076 CE LYS A 68 13.592 7.133 2.384 1.00 0.00 C ATOM 1077 NZ LYS A 68 13.713 8.576 2.035 1.00 0.00 N ATOM 0 H LYS A 68 16.610 4.404 6.713 1.00 0.00 H new ATOM 0 HA LYS A 68 15.116 6.891 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.653 3.965 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.270 5.025 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.521 5.402 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.925 4.773 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.084 7.031 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.719 7.581 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.241 6.546 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.571 6.799 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.455 8.715 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.075 9.134 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.693 8.889 2.186 1.00 0.00 H new ATOM 1091 N LYS A 69 13.269 6.374 7.952 1.00 0.00 N ATOM 1092 CA LYS A 69 12.534 6.384 9.211 1.00 0.00 C ATOM 1093 C LYS A 69 11.038 6.211 8.969 1.00 0.00 C ATOM 1094 O LYS A 69 10.488 6.754 8.010 1.00 0.00 O ATOM 1095 CB LYS A 69 12.791 7.691 9.965 1.00 0.00 C ATOM 1096 CG LYS A 69 14.264 7.988 10.183 1.00 0.00 C ATOM 1097 CD LYS A 69 14.863 8.736 9.004 1.00 0.00 C ATOM 1098 CE LYS A 69 16.324 9.082 9.247 1.00 0.00 C ATOM 1099 NZ LYS A 69 16.901 9.875 8.126 1.00 0.00 N ATOM 0 H LYS A 69 12.792 6.843 7.182 1.00 0.00 H new ATOM 0 HA LYS A 69 12.886 5.548 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.341 8.515 9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.291 7.647 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.386 8.580 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.806 7.054 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.777 8.127 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.296 9.650 8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.414 9.647 10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.898 8.164 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.763 10.359 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.137 9.240 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.207 10.581 7.807 1.00 0.00 H new ATOM 1113 N CYS A 70 10.386 5.453 9.843 1.00 0.00 N ATOM 1114 CA CYS A 70 8.953 5.209 9.724 1.00 0.00 C ATOM 1115 C CYS A 70 8.620 4.570 8.380 1.00 0.00 C ATOM 1116 O CYS A 70 7.712 5.015 7.677 1.00 0.00 O ATOM 1117 CB CYS A 70 8.176 6.516 9.888 1.00 0.00 C ATOM 1118 SG CYS A 70 7.790 6.936 11.604 1.00 0.00 S ATOM 0 H CYS A 70 10.827 4.997 10.642 1.00 0.00 H new ATOM 0 HA CYS A 70 8.660 4.520 10.516 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.755 7.328 9.448 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.246 6.446 9.324 1.00 0.00 H new ATOM 0 HG CYS A 70 6.559 6.609 11.864 1.00 0.00 H new ATOM 1124 N LEU A 71 9.360 3.525 8.028 1.00 0.00 N ATOM 1125 CA LEU A 71 9.145 2.824 6.767 1.00 0.00 C ATOM 1126 C LEU A 71 7.988 1.838 6.882 1.00 0.00 C ATOM 1127 O LEU A 71 7.737 1.281 7.951 1.00 0.00 O ATOM 1128 CB LEU A 71 10.418 2.088 6.346 1.00 0.00 C ATOM 1129 CG LEU A 71 11.408 2.889 5.500 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.793 2.263 5.562 1.00 0.00 C ATOM 1131 CD2 LEU A 71 10.927 2.981 4.059 1.00 0.00 C ATOM 0 H LEU A 71 10.115 3.144 8.598 1.00 0.00 H new ATOM 0 HA LEU A 71 8.893 3.564 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.931 1.748 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.131 1.197 5.787 1.00 0.00 H new ATOM 0 HG LEU A 71 11.469 3.898 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.484 2.847 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.141 2.250 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.748 1.242 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.644 3.555 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.835 1.978 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.956 3.476 4.030 1.00 0.00 H new ATOM 1143 N PHE A 72 7.287 1.623 5.774 1.00 0.00 N ATOM 1144 CA PHE A 72 6.157 0.702 5.750 1.00 0.00 C ATOM 1145 C PHE A 72 5.967 0.110 4.356 1.00 0.00 C ATOM 1146 O PHE A 72 5.928 0.834 3.361 1.00 0.00 O ATOM 1147 CB PHE A 72 4.878 1.418 6.190 1.00 0.00 C ATOM 1148 CG PHE A 72 4.358 2.395 5.174 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.580 1.961 4.112 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.648 3.745 5.280 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.099 2.857 3.175 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.170 4.646 4.346 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.396 4.201 3.292 1.00 0.00 C ATOM 0 H PHE A 72 7.482 2.074 4.880 1.00 0.00 H new ATOM 0 HA PHE A 72 6.368 -0.110 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.107 0.675 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.069 1.945 7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.347 0.911 4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.254 4.098 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.492 2.507 2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.402 5.697 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.024 4.903 2.560 1.00 0.00 H new ATOM 1163 N LEU A 73 5.851 -1.212 4.293 1.00 0.00 N ATOM 1164 CA LEU A 73 5.666 -1.904 3.022 1.00 0.00 C ATOM 1165 C LEU A 73 4.355 -2.684 3.013 1.00 0.00 C ATOM 1166 O LEU A 73 3.934 -3.223 4.036 1.00 0.00 O ATOM 1167 CB LEU A 73 6.838 -2.851 2.760 1.00 0.00 C ATOM 1168 CG LEU A 73 6.698 -3.772 1.546 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.066 -4.116 0.977 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.940 -5.037 1.921 1.00 0.00 C ATOM 0 H LEU A 73 5.882 -1.826 5.107 1.00 0.00 H new ATOM 0 HA LEU A 73 5.628 -1.156 2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.741 -2.254 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.984 -3.470 3.645 1.00 0.00 H new ATOM 0 HG LEU A 73 6.130 -3.247 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.947 -4.772 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.573 -3.201 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.660 -4.622 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.850 -5.680 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.481 -5.566 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.946 -4.772 2.281 1.00 0.00 H new ATOM 1182 N VAL A 74 3.715 -2.741 1.849 1.00 0.00 N ATOM 1183 CA VAL A 74 2.454 -3.458 1.704 1.00 0.00 C ATOM 1184 C VAL A 74 2.656 -4.786 0.982 1.00 0.00 C ATOM 1185 O VAL A 74 3.254 -4.836 -0.092 1.00 0.00 O ATOM 1186 CB VAL A 74 1.417 -2.620 0.933 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.123 -3.399 0.760 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.163 -1.300 1.647 1.00 0.00 C ATOM 0 H VAL A 74 4.049 -2.299 0.993 1.00 0.00 H new ATOM 0 HA VAL A 74 2.081 -3.648 2.710 1.00 0.00 H new ATOM 0 HB VAL A 74 1.816 -2.401 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.597 -2.791 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.321 -4.315 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.284 -3.651 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.428 -0.720 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.785 -1.496 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.094 -0.737 1.714 1.00 0.00 H new ATOM 1198 N LYS A 75 2.152 -5.860 1.580 1.00 0.00 N ATOM 1199 CA LYS A 75 2.275 -7.190 0.995 1.00 0.00 C ATOM 1200 C LYS A 75 0.940 -7.659 0.425 1.00 0.00 C ATOM 1201 O LYS A 75 -0.062 -7.728 1.139 1.00 0.00 O ATOM 1202 CB LYS A 75 2.772 -8.188 2.043 1.00 0.00 C ATOM 1203 CG LYS A 75 3.611 -9.313 1.462 1.00 0.00 C ATOM 1204 CD LYS A 75 5.074 -8.917 1.352 1.00 0.00 C ATOM 1205 CE LYS A 75 5.989 -10.126 1.477 1.00 0.00 C ATOM 1206 NZ LYS A 75 7.425 -9.732 1.520 1.00 0.00 N ATOM 0 H LYS A 75 1.654 -5.835 2.470 1.00 0.00 H new ATOM 0 HA LYS A 75 2.999 -7.136 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.361 -7.655 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.914 -8.616 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.519 -10.199 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.230 -9.581 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.248 -8.425 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.316 -8.194 2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.737 -10.680 2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.821 -10.797 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.016 -10.583 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.672 -9.225 0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.591 -9.112 2.338 1.00 0.00 H new ATOM 1220 N CYS A 76 0.932 -7.981 -0.864 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.279 -8.445 -1.530 1.00 0.00 C ATOM 1222 C CYS A 76 -0.108 -9.873 -2.039 1.00 0.00 C ATOM 1223 O CYS A 76 0.970 -10.458 -1.928 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.634 -7.516 -2.693 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.728 -6.133 -2.233 1.00 0.00 S ATOM 0 H CYS A 76 1.752 -7.929 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.091 -8.433 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.286 -7.112 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.115 -8.101 -3.477 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.177 -10.428 -2.599 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.146 -11.787 -3.125 1.00 0.00 C ATOM 1232 C PHE A 77 0.234 -12.123 -3.683 1.00 0.00 C ATOM 1233 O PHE A 77 0.969 -12.926 -3.107 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.205 -11.959 -4.217 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.535 -12.423 -3.694 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.653 -13.644 -3.050 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.666 -11.638 -3.848 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.875 -14.073 -2.568 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.891 -12.062 -3.367 1.00 0.00 C ATOM 1240 CZ PHE A 77 -5.995 -13.282 -2.728 1.00 0.00 C ATOM 0 H PHE A 77 -2.076 -9.957 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.364 -12.472 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.339 -11.010 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.843 -12.676 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.780 -14.267 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.590 -10.684 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.954 -15.026 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.765 -11.440 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.951 -13.617 -2.354 1.00 0.00 H new ATOM 1250 N ASP A 78 0.578 -11.504 -4.806 1.00 0.00 N ATOM 1251 CA ASP A 78 1.870 -11.735 -5.442 1.00 0.00 C ATOM 1252 C ASP A 78 2.620 -10.422 -5.644 1.00 0.00 C ATOM 1253 O ASP A 78 3.849 -10.401 -5.714 1.00 0.00 O ATOM 1254 CB ASP A 78 1.681 -12.442 -6.786 1.00 0.00 C ATOM 1255 CG ASP A 78 1.685 -13.952 -6.652 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.797 -14.488 -5.957 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.576 -14.597 -7.243 1.00 0.00 O ATOM 0 H ASP A 78 -0.020 -10.838 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 78 2.462 -12.372 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.739 -12.122 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.476 -12.139 -7.468 1.00 0.00 H new ATOM 1262 N LYS A 79 1.871 -9.328 -5.739 1.00 0.00 N ATOM 1263 CA LYS A 79 2.464 -8.010 -5.933 1.00 0.00 C ATOM 1264 C LYS A 79 2.832 -7.377 -4.595 1.00 0.00 C ATOM 1265 O LYS A 79 2.316 -7.768 -3.547 1.00 0.00 O ATOM 1266 CB LYS A 79 1.495 -7.100 -6.690 1.00 0.00 C ATOM 1267 CG LYS A 79 0.285 -6.684 -5.872 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.760 -5.992 -6.732 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.757 -6.987 -7.306 1.00 0.00 C ATOM 1270 NZ LYS A 79 -3.096 -6.370 -7.516 1.00 0.00 N ATOM 0 H LYS A 79 0.852 -9.328 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 79 3.374 -8.131 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.028 -6.206 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.156 -7.613 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.155 -7.562 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.599 -6.015 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.289 -5.248 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.268 -5.458 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.381 -7.372 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.851 -7.838 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.748 -7.079 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.466 -6.025 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.011 -5.574 -8.180 1.00 0.00 H new ATOM 1284 N THR A 80 3.728 -6.395 -4.637 1.00 0.00 N ATOM 1285 CA THR A 80 4.165 -5.708 -3.428 1.00 0.00 C ATOM 1286 C THR A 80 4.407 -4.227 -3.695 1.00 0.00 C ATOM 1287 O THR A 80 4.783 -3.838 -4.801 1.00 0.00 O ATOM 1288 CB THR A 80 5.454 -6.333 -2.862 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.258 -6.848 -3.928 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.129 -7.448 -1.880 1.00 0.00 C ATOM 0 H THR A 80 4.165 -6.058 -5.495 1.00 0.00 H new ATOM 0 HA THR A 80 3.365 -5.817 -2.696 1.00 0.00 H new ATOM 0 HB THR A 80 6.007 -5.556 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.076 -7.242 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.055 -7.874 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.542 -7.046 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.556 -8.224 -2.387 1.00 0.00 H new ATOM 1298 N PHE A 81 4.188 -3.403 -2.675 1.00 0.00 N ATOM 1299 CA PHE A 81 4.381 -1.963 -2.800 1.00 0.00 C ATOM 1300 C PHE A 81 5.104 -1.403 -1.578 1.00 0.00 C ATOM 1301 O PHE A 81 4.595 -1.471 -0.460 1.00 0.00 O ATOM 1302 CB PHE A 81 3.034 -1.260 -2.977 1.00 0.00 C ATOM 1303 CG PHE A 81 2.388 -1.528 -4.306 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.985 -2.808 -4.650 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.183 -0.499 -5.212 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.389 -3.058 -5.872 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.588 -0.743 -6.435 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.191 -2.025 -6.766 1.00 0.00 C ATOM 0 H PHE A 81 3.877 -3.708 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 81 4.997 -1.779 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.359 -1.580 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.176 -0.186 -2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.138 -3.620 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.492 0.505 -4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.079 -4.061 -6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.433 0.067 -7.132 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.727 -2.218 -7.722 1.00 0.00 H new ATOM 1318 N GLU A 82 6.292 -0.852 -1.802 1.00 0.00 N ATOM 1319 CA GLU A 82 7.085 -0.282 -0.719 1.00 0.00 C ATOM 1320 C GLU A 82 7.037 1.243 -0.754 1.00 0.00 C ATOM 1321 O GLU A 82 7.440 1.865 -1.737 1.00 0.00 O ATOM 1322 CB GLU A 82 8.536 -0.759 -0.814 1.00 0.00 C ATOM 1323 CG GLU A 82 9.292 -0.673 0.501 1.00 0.00 C ATOM 1324 CD GLU A 82 10.640 -1.365 0.446 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.698 -2.514 -0.040 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.637 -0.757 0.888 1.00 0.00 O ATOM 0 H GLU A 82 6.727 -0.788 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 82 6.659 -0.621 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.548 -1.791 -1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.057 -0.163 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.436 0.375 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.690 -1.121 1.292 1.00 0.00 H new ATOM 1333 N ILE A 83 6.540 1.838 0.326 1.00 0.00 N ATOM 1334 CA ILE A 83 6.439 3.289 0.420 1.00 0.00 C ATOM 1335 C ILE A 83 7.167 3.812 1.653 1.00 0.00 C ATOM 1336 O ILE A 83 7.418 3.067 2.601 1.00 0.00 O ATOM 1337 CB ILE A 83 4.970 3.749 0.470 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.183 3.143 -0.693 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.889 5.267 0.438 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.719 2.919 -0.381 1.00 0.00 C ATOM 0 H ILE A 83 6.201 1.337 1.148 1.00 0.00 H new ATOM 0 HA ILE A 83 6.908 3.697 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 83 4.527 3.401 1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.265 3.801 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.636 2.192 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.844 5.576 0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.419 5.678 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.345 5.636 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.224 2.487 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.627 2.237 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.250 3.871 -0.132 1.00 0.00 H new ATOM 1352 N SER A 84 7.501 5.098 1.636 1.00 0.00 N ATOM 1353 CA SER A 84 8.202 5.721 2.752 1.00 0.00 C ATOM 1354 C SER A 84 7.510 7.014 3.175 1.00 0.00 C ATOM 1355 O SER A 84 7.268 7.898 2.354 1.00 0.00 O ATOM 1356 CB SER A 84 9.656 6.008 2.373 1.00 0.00 C ATOM 1357 OG SER A 84 9.768 6.347 1.002 1.00 0.00 O ATOM 0 H SER A 84 7.297 5.729 0.861 1.00 0.00 H new ATOM 0 HA SER A 84 8.183 5.027 3.593 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.040 6.824 2.985 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.270 5.133 2.586 1.00 0.00 H new ATOM 0 HG SER A 84 10.426 5.761 0.573 1.00 0.00 H new ATOM 1363 N ALA A 85 7.193 7.115 4.461 1.00 0.00 N ATOM 1364 CA ALA A 85 6.530 8.299 4.994 1.00 0.00 C ATOM 1365 C ALA A 85 7.545 9.376 5.362 1.00 0.00 C ATOM 1366 O ALA A 85 8.753 9.144 5.322 1.00 0.00 O ATOM 1367 CB ALA A 85 5.686 7.931 6.205 1.00 0.00 C ATOM 0 H ALA A 85 7.385 6.391 5.154 1.00 0.00 H new ATOM 0 HA ALA A 85 5.877 8.700 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.197 8.825 6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.931 7.201 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.325 7.503 6.977 1.00 0.00 H new ATOM 1373 N SER A 86 7.045 10.555 5.720 1.00 0.00 N ATOM 1374 CA SER A 86 7.909 11.670 6.090 1.00 0.00 C ATOM 1375 C SER A 86 8.005 11.802 7.607 1.00 0.00 C ATOM 1376 O SER A 86 9.099 11.820 8.172 1.00 0.00 O ATOM 1377 CB SER A 86 7.382 12.973 5.486 1.00 0.00 C ATOM 1378 OG SER A 86 8.433 13.900 5.276 1.00 0.00 O ATOM 0 H SER A 86 6.047 10.762 5.762 1.00 0.00 H new ATOM 0 HA SER A 86 8.906 11.472 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.884 12.763 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.635 13.409 6.150 1.00 0.00 H new ATOM 0 HG SER A 86 8.070 14.723 4.888 1.00 0.00 H new ATOM 1384 N ASP A 87 6.852 11.894 8.261 1.00 0.00 N ATOM 1385 CA ASP A 87 6.804 12.024 9.712 1.00 0.00 C ATOM 1386 C ASP A 87 5.962 10.912 10.330 1.00 0.00 C ATOM 1387 O ASP A 87 5.106 10.326 9.667 1.00 0.00 O ATOM 1388 CB ASP A 87 6.237 13.388 10.106 1.00 0.00 C ATOM 1389 CG ASP A 87 5.206 13.894 9.117 1.00 0.00 C ATOM 1390 OD1 ASP A 87 5.605 14.362 8.030 1.00 0.00 O ATOM 1391 OD2 ASP A 87 3.999 13.821 9.429 1.00 0.00 O ATOM 0 H ASP A 87 5.938 11.881 7.809 1.00 0.00 H new ATOM 0 HA ASP A 87 7.822 11.939 10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.784 13.318 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.051 14.109 10.179 1.00 0.00 H new ATOM 1396 N LYS A 88 6.211 10.625 11.603 1.00 0.00 N ATOM 1397 CA LYS A 88 5.476 9.584 12.311 1.00 0.00 C ATOM 1398 C LYS A 88 3.978 9.697 12.044 1.00 0.00 C ATOM 1399 O LYS A 88 3.290 8.690 11.873 1.00 0.00 O ATOM 1400 CB LYS A 88 5.744 9.675 13.815 1.00 0.00 C ATOM 1401 CG LYS A 88 7.217 9.592 14.176 1.00 0.00 C ATOM 1402 CD LYS A 88 7.416 9.075 15.591 1.00 0.00 C ATOM 1403 CE LYS A 88 7.198 7.572 15.672 1.00 0.00 C ATOM 1404 NZ LYS A 88 5.762 7.230 15.868 1.00 0.00 N ATOM 0 H LYS A 88 6.917 11.099 12.166 1.00 0.00 H new ATOM 0 HA LYS A 88 5.821 8.617 11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.338 10.614 14.192 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.209 8.871 14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.729 8.935 13.472 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.672 10.578 14.080 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.424 9.316 15.929 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.724 9.581 16.265 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.562 7.102 14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.784 7.164 16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.677 6.488 16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.243 8.076 16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.362 6.886 14.972 1.00 0.00 H new ATOM 1418 N LYS A 89 3.480 10.928 12.007 1.00 0.00 N ATOM 1419 CA LYS A 89 2.064 11.173 11.758 1.00 0.00 C ATOM 1420 C LYS A 89 1.623 10.529 10.447 1.00 0.00 C ATOM 1421 O LYS A 89 0.721 9.692 10.428 1.00 0.00 O ATOM 1422 CB LYS A 89 1.786 12.678 11.717 1.00 0.00 C ATOM 1423 CG LYS A 89 0.386 13.049 12.174 1.00 0.00 C ATOM 1424 CD LYS A 89 0.348 14.442 12.781 1.00 0.00 C ATOM 1425 CE LYS A 89 0.097 15.505 11.722 1.00 0.00 C ATOM 1426 NZ LYS A 89 1.366 15.992 11.113 1.00 0.00 N ATOM 0 H LYS A 89 4.036 11.772 12.146 1.00 0.00 H new ATOM 0 HA LYS A 89 1.494 10.726 12.572 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.513 13.191 12.347 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.935 13.039 10.699 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.299 13.001 11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.037 12.322 12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.435 14.489 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.292 14.646 13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.546 15.096 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.437 16.344 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.155 16.739 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.984 16.374 11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.847 15.203 10.635 1.00 0.00 H new ATOM 1440 N LYS A 90 2.266 10.923 9.353 1.00 0.00 N ATOM 1441 CA LYS A 90 1.943 10.383 8.038 1.00 0.00 C ATOM 1442 C LYS A 90 1.995 8.858 8.049 1.00 0.00 C ATOM 1443 O LYS A 90 0.994 8.190 7.792 1.00 0.00 O ATOM 1444 CB LYS A 90 2.911 10.930 6.987 1.00 0.00 C ATOM 1445 CG LYS A 90 2.533 12.307 6.470 1.00 0.00 C ATOM 1446 CD LYS A 90 3.220 12.614 5.150 1.00 0.00 C ATOM 1447 CE LYS A 90 2.675 13.888 4.522 1.00 0.00 C ATOM 1448 NZ LYS A 90 2.985 13.967 3.068 1.00 0.00 N ATOM 0 H LYS A 90 3.015 11.615 9.351 1.00 0.00 H new ATOM 0 HA LYS A 90 0.929 10.693 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.912 10.974 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.954 10.235 6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.452 12.364 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.806 13.061 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.293 12.717 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.080 11.779 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.595 13.930 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.099 14.754 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.597 14.849 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.016 13.952 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.559 13.155 2.578 1.00 0.00 H new ATOM 1462 N LYS A 91 3.169 8.313 8.349 1.00 0.00 N ATOM 1463 CA LYS A 91 3.353 6.868 8.396 1.00 0.00 C ATOM 1464 C LYS A 91 2.181 6.193 9.102 1.00 0.00 C ATOM 1465 O LYS A 91 1.419 5.449 8.486 1.00 0.00 O ATOM 1466 CB LYS A 91 4.661 6.522 9.112 1.00 0.00 C ATOM 1467 CG LYS A 91 4.933 5.030 9.193 1.00 0.00 C ATOM 1468 CD LYS A 91 4.222 4.397 10.378 1.00 0.00 C ATOM 1469 CE LYS A 91 4.974 3.179 10.894 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.067 3.559 11.832 1.00 0.00 N ATOM 0 H LYS A 91 4.008 8.852 8.563 1.00 0.00 H new ATOM 0 HA LYS A 91 3.399 6.499 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.489 7.006 8.593 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.633 6.933 10.121 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.605 4.549 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.006 4.859 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.123 5.130 11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.213 4.106 10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.278 2.510 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.393 2.627 10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.850 2.881 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.408 4.513 11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.707 3.549 12.807 1.00 0.00 H new ATOM 1484 N GLN A 92 2.043 6.461 10.397 1.00 0.00 N ATOM 1485 CA GLN A 92 0.962 5.880 11.185 1.00 0.00 C ATOM 1486 C GLN A 92 -0.386 6.097 10.506 1.00 0.00 C ATOM 1487 O GLN A 92 -1.020 5.148 10.048 1.00 0.00 O ATOM 1488 CB GLN A 92 0.943 6.488 12.589 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.269 6.081 13.411 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.425 6.911 14.670 1.00 0.00 C ATOM 1491 OE1 GLN A 92 -1.028 7.984 14.650 1.00 0.00 O ATOM 1492 NE2 GLN A 92 0.120 6.417 15.776 1.00 0.00 N ATOM 0 H GLN A 92 2.665 7.076 10.922 1.00 0.00 H new ATOM 0 HA GLN A 92 1.140 4.807 11.263 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.848 6.189 13.118 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.967 7.575 12.506 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.167 6.180 12.801 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.183 5.029 13.682 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.611 5.523 15.747 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.047 6.931 16.654 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.816 7.354 10.444 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.090 7.694 9.821 1.00 0.00 C ATOM 1503 C GLU A 93 -2.338 6.834 8.586 1.00 0.00 C ATOM 1504 O GLU A 93 -3.432 6.301 8.398 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.115 9.176 9.439 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.147 10.113 10.634 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.549 10.325 11.172 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.081 9.401 11.821 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -4.114 11.415 10.943 1.00 0.00 O ATOM 0 H GLU A 93 -0.302 8.152 10.817 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.883 7.498 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.236 9.401 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.988 9.367 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.516 9.708 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.722 11.075 10.348 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.317 6.705 7.747 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.424 5.910 6.529 1.00 0.00 C ATOM 1518 C TRP A 94 -1.644 4.438 6.857 1.00 0.00 C ATOM 1519 O TRP A 94 -2.689 3.870 6.537 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.165 6.074 5.676 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.259 7.195 4.686 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.249 8.455 4.823 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.902 7.157 3.408 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.039 9.202 3.707 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.744 8.429 2.824 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.595 6.171 2.698 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.255 8.739 1.566 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.101 6.481 1.450 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.929 7.755 0.894 1.00 0.00 C ATOM 0 H TRP A 94 -0.405 7.141 7.888 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.285 6.269 5.965 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.689 6.248 6.331 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.027 5.143 5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.797 8.812 5.683 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.229 10.175 3.560 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.732 5.185 3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.124 9.721 1.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.639 5.728 0.893 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.336 7.965 -0.084 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.653 3.825 7.497 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.740 2.418 7.869 1.00 0.00 C ATOM 1542 C ILE A 95 -2.089 2.100 8.505 1.00 0.00 C ATOM 1543 O ILE A 95 -2.797 1.196 8.062 1.00 0.00 O ATOM 1544 CB ILE A 95 0.382 2.024 8.848 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.752 2.288 8.219 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.248 0.562 9.246 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.864 1.460 8.826 1.00 0.00 C ATOM 0 H ILE A 95 0.218 4.280 7.768 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.629 1.841 6.951 1.00 0.00 H new ATOM 0 HB ILE A 95 0.292 2.634 9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.698 2.082 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.996 3.345 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.048 0.299 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.716 0.403 9.729 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.316 -0.065 8.357 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.806 1.698 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.945 1.683 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.643 0.401 8.694 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.438 2.850 9.545 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.704 2.649 10.241 1.00 0.00 C ATOM 1561 C GLN A 96 -4.876 2.701 9.267 1.00 0.00 C ATOM 1562 O GLN A 96 -5.716 1.802 9.243 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.884 3.706 11.332 1.00 0.00 C ATOM 1564 CG GLN A 96 -2.978 3.500 12.535 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.030 2.082 13.069 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.095 1.467 13.125 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -1.877 1.555 13.464 1.00 0.00 N ATOM 0 H GLN A 96 -1.863 3.602 9.924 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.683 1.661 10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.691 4.691 10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.922 3.700 11.664 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.952 3.742 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.267 4.193 13.325 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.018 2.101 13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.850 0.604 13.832 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.925 3.759 8.464 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.993 3.927 7.486 1.00 0.00 C ATOM 1578 C ALA A 97 -6.068 2.730 6.544 1.00 0.00 C ATOM 1579 O ALA A 97 -7.152 2.218 6.262 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.787 5.211 6.696 1.00 0.00 C ATOM 0 H ALA A 97 -4.238 4.513 8.472 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.939 3.992 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.591 5.324 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.791 6.062 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.831 5.168 6.175 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.911 2.290 6.060 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.847 1.153 5.150 1.00 0.00 C ATOM 1588 C ILE A 98 -5.345 -0.120 5.825 1.00 0.00 C ATOM 1589 O ILE A 98 -6.246 -0.791 5.322 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.414 0.923 4.637 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.862 2.203 4.008 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.387 -0.221 3.634 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.352 2.290 4.040 1.00 0.00 C ATOM 0 H ILE A 98 -4.006 2.704 6.283 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.493 1.389 4.304 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.781 0.654 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.199 2.264 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.279 3.064 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.367 -0.371 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.743 -1.133 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.032 0.021 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.031 3.223 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.008 2.261 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.927 1.449 3.492 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.753 -0.447 6.970 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.137 -1.639 7.716 1.00 0.00 C ATOM 1607 C HIS A 99 -6.655 -1.746 7.825 1.00 0.00 C ATOM 1608 O HIS A 99 -7.251 -2.730 7.385 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.515 -1.615 9.113 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.259 -2.978 9.679 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -3.215 -3.253 10.535 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.921 -4.146 9.507 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.244 -4.532 10.865 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.270 -5.097 10.254 1.00 0.00 N ATOM 0 H HIS A 99 -4.006 0.097 7.401 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.766 -2.510 7.176 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.575 -1.065 9.074 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.176 -1.069 9.787 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.798 -4.301 8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.547 -5.031 11.522 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.535 -6.079 10.325 1.00 0.00 H new ATOM 1623 N SER A 100 -7.275 -0.728 8.414 1.00 0.00 N ATOM 1624 CA SER A 100 -8.723 -0.710 8.584 1.00 0.00 C ATOM 1625 C SER A 100 -9.429 -0.958 7.254 1.00 0.00 C ATOM 1626 O SER A 100 -10.298 -1.825 7.151 1.00 0.00 O ATOM 1627 CB SER A 100 -9.172 0.629 9.171 1.00 0.00 C ATOM 1628 OG SER A 100 -10.581 0.676 9.316 1.00 0.00 O ATOM 0 H SER A 100 -6.797 0.095 8.781 1.00 0.00 H new ATOM 0 HA SER A 100 -8.993 -1.510 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.698 0.782 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.843 1.442 8.524 1.00 0.00 H new ATOM 0 HG SER A 100 -10.842 1.541 9.694 1.00 0.00 H new ATOM 1634 N THR A 101 -9.050 -0.190 6.238 1.00 0.00 N ATOM 1635 CA THR A 101 -9.647 -0.324 4.915 1.00 0.00 C ATOM 1636 C THR A 101 -9.727 -1.787 4.494 1.00 0.00 C ATOM 1637 O THR A 101 -10.715 -2.218 3.897 1.00 0.00 O ATOM 1638 CB THR A 101 -8.848 0.459 3.856 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.729 1.831 4.249 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.523 0.373 2.496 1.00 0.00 C ATOM 0 H THR A 101 -8.332 0.532 6.306 1.00 0.00 H new ATOM 0 HA THR A 101 -10.654 0.089 4.979 1.00 0.00 H new ATOM 0 HB THR A 101 -7.855 0.015 3.780 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.049 1.913 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.941 0.933 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.587 -0.670 2.187 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.526 0.794 2.560 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.684 -2.547 4.808 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.638 -3.962 4.463 1.00 0.00 C ATOM 1650 C ILE A 102 -9.543 -4.780 5.378 1.00 0.00 C ATOM 1651 O ILE A 102 -10.282 -5.653 4.920 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.204 -4.517 4.549 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.279 -3.749 3.602 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.190 -6.003 4.222 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.810 -3.948 3.899 1.00 0.00 C ATOM 0 H ILE A 102 -7.859 -2.206 5.301 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.990 -4.048 3.435 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.840 -4.386 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.480 -4.062 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.513 -2.686 3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.169 -6.380 4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.821 -6.538 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.570 -6.157 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.214 -3.374 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.594 -3.608 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.561 -5.005 3.811 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.482 -4.491 6.674 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.298 -5.198 7.654 1.00 0.00 C ATOM 1669 C HIS A 103 -11.761 -5.232 7.221 1.00 0.00 C ATOM 1670 O HIS A 103 -12.443 -6.245 7.379 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.176 -4.534 9.026 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.108 -5.101 10.052 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.448 -5.293 10.021 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.687 -5.547 11.287 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.807 -5.846 11.225 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.726 -5.989 11.971 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.876 -3.772 7.070 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.933 -6.223 7.721 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.151 -4.639 9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.370 -3.466 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.666 -5.536 11.640 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.811 -6.120 11.515 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.699 -6.375 12.915 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.237 -4.118 6.675 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.619 -4.020 6.219 1.00 0.00 C ATOM 1687 C LEU A 104 -13.916 -5.069 5.152 1.00 0.00 C ATOM 1688 O LEU A 104 -15.047 -5.542 5.030 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.896 -2.621 5.666 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.549 -1.453 6.590 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.593 -0.138 5.828 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.498 -1.414 7.779 1.00 0.00 C ATOM 0 H LEU A 104 -11.686 -3.270 6.537 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.271 -4.202 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.337 -2.502 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.954 -2.555 5.412 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.535 -1.599 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.343 0.682 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.873 -0.167 5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.594 0.016 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.236 -0.577 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.521 -1.292 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.417 -2.345 8.340 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.895 -5.429 4.383 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.046 -6.424 3.327 1.00 0.00 C ATOM 1706 C LEU A 105 -12.911 -7.837 3.887 1.00 0.00 C ATOM 1707 O LEU A 105 -13.391 -8.801 3.291 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.003 -6.196 2.231 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.195 -4.947 1.371 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.888 -4.554 0.701 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.282 -5.178 0.331 1.00 0.00 C ATOM 0 H LEU A 105 -11.953 -5.047 4.471 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.043 -6.316 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.020 -6.143 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.998 -7.067 1.575 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.508 -4.128 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.044 -3.663 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.137 -4.346 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.545 -5.371 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.405 -4.279 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.999 -6.011 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.222 -5.410 0.832 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.257 -7.952 5.038 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.062 -9.245 5.681 1.00 0.00 C ATOM 1725 C LYS A 106 -13.393 -9.826 6.151 1.00 0.00 C ATOM 1726 O LYS A 106 -13.638 -11.026 6.021 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.107 -9.108 6.869 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.681 -8.771 6.467 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.777 -8.633 7.680 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.475 -7.930 7.328 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.706 -7.546 8.544 1.00 0.00 N ATOM 0 H LYS A 106 -11.853 -7.164 5.545 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.627 -9.925 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.480 -8.332 7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.106 -10.041 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.294 -9.550 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.673 -7.841 5.898 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.295 -8.073 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.560 -9.620 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.866 -8.585 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.691 -7.039 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.826 -7.070 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.277 -6.901 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.477 -8.399 9.094 1.00 0.00 H new