USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 839 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 96 CYS SG : rot 138:sc= -0.131 USER MOD Set 1.2: A 97 GLN : amide:sc= -1.57 X(o=-1.7,f=-2.1) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0.81 USER MOD Set 2.2: A 59 HIS : no HE2:sc= -5.77! C(o=-5!,f=-19!) USER MOD Set 3.1: A 25 ASN : amide:sc= -1.69! C(o=-2.1!,f=-6!) USER MOD Set 3.2: A 31 MET CE :methyl -177:sc= -0.386 (180deg=-0.532) USER MOD Set 3.3: A 103 CYS SG : rot -127:sc= -0.0388 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.882 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.14) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 58:sc= 0.483 USER MOD Single : A 35 SER OG : rot 150:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0812 X(o=-0.081,f=-0.44) USER MOD Single : A 56 THR OG1 : rot -34:sc= 0.44 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 0.0508 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0859 K(o=-0.086,f=-1.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.316 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -81:sc= -1.2 USER MOD Single : A 82 GLN : amide:sc= -0.514 K(o=-0.51,f=-2.9!) USER MOD Single : A 87 HIS : no HE2:sc= -0.0692 K(o=-0.069,f=-0.6) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.381! C(o=-0.38!,f=-6.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= -2.15! USER MOD Single : A 104 MET CE :methyl -102:sc= -2.23! (180deg=-5.19!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C MET A 1 1.515 -1.039 -2.221 1.00 0.00 C ATOM 4 O MET A 1 1.989 -2.173 -2.264 1.00 0.00 O ATOM 5 CB MET A 1 3.544 -0.308 -0.958 1.00 0.00 C ATOM 6 CG MET A 1 4.382 0.972 -0.953 1.00 0.00 C ATOM 7 SD MET A 1 5.955 0.668 -0.167 1.00 0.00 S ATOM 8 CE MET A 1 6.764 2.229 -0.479 1.00 0.00 C ATOM 0 H1 MET A 1 1.723 0.713 0.644 1.00 0.00 H new ATOM 0 H2 MET A 1 0.329 0.226 -0.194 1.00 0.00 H new ATOM 0 H3 MET A 1 1.387 -0.939 0.442 1.00 0.00 H new ATOM 0 HA MET A 1 1.981 0.986 -1.701 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.633 -0.809 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.929 -0.996 -1.711 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.538 1.319 -1.975 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.849 1.763 -0.425 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.766 2.211 -0.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.831 2.396 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.189 3.034 -0.022 1.00 0.00 H new ATOM 18 N GLU A 2 0.515 -0.614 -2.979 1.00 0.00 N ATOM 19 CA GLU A 2 -0.112 -1.493 -3.951 1.00 0.00 C ATOM 20 C GLU A 2 -1.483 -0.945 -4.355 1.00 0.00 C ATOM 21 O GLU A 2 -2.426 -0.981 -3.567 1.00 0.00 O ATOM 22 CB GLU A 2 -0.230 -2.917 -3.406 1.00 0.00 C ATOM 23 CG GLU A 2 0.874 -3.813 -3.970 1.00 0.00 C ATOM 24 CD GLU A 2 0.287 -4.925 -4.842 1.00 0.00 C ATOM 25 OE1 GLU A 2 -0.284 -5.868 -4.251 1.00 0.00 O ATOM 26 OE2 GLU A 2 0.421 -4.808 -6.079 1.00 0.00 O ATOM 0 H GLU A 2 0.124 0.327 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 2 0.519 -1.530 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.169 -2.900 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.205 -3.329 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.569 -3.213 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.445 -4.251 -3.152 1.00 0.00 H new ATOM 33 N THR A 3 -1.549 -0.450 -5.582 1.00 0.00 N ATOM 34 CA THR A 3 -2.788 0.104 -6.100 1.00 0.00 C ATOM 35 C THR A 3 -2.902 -0.158 -7.603 1.00 0.00 C ATOM 36 O THR A 3 -1.923 -0.530 -8.249 1.00 0.00 O ATOM 37 CB THR A 3 -2.829 1.590 -5.738 1.00 0.00 C ATOM 38 OG1 THR A 3 -1.495 2.039 -5.961 1.00 0.00 O ATOM 39 CG2 THR A 3 -3.055 1.822 -4.242 1.00 0.00 C ATOM 0 H THR A 3 -0.764 -0.421 -6.233 1.00 0.00 H new ATOM 0 HA THR A 3 -3.656 -0.379 -5.651 1.00 0.00 H new ATOM 0 HB THR A 3 -3.620 2.080 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.432 2.994 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.076 2.893 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.005 1.378 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.246 1.361 -3.676 1.00 0.00 H new ATOM 47 N GLU A 4 -4.106 0.046 -8.117 1.00 0.00 N ATOM 48 CA GLU A 4 -4.361 -0.163 -9.532 1.00 0.00 C ATOM 49 C GLU A 4 -5.056 1.060 -10.133 1.00 0.00 C ATOM 50 O GLU A 4 -6.256 1.254 -9.941 1.00 0.00 O ATOM 51 CB GLU A 4 -5.189 -1.430 -9.758 1.00 0.00 C ATOM 52 CG GLU A 4 -4.670 -2.585 -8.899 1.00 0.00 C ATOM 53 CD GLU A 4 -4.325 -3.799 -9.764 1.00 0.00 C ATOM 54 OE1 GLU A 4 -5.206 -4.203 -10.552 1.00 0.00 O ATOM 55 OE2 GLU A 4 -3.187 -4.296 -9.617 1.00 0.00 O ATOM 0 H GLU A 4 -4.916 0.354 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.405 -0.298 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.234 -1.234 -9.517 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.152 -1.710 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.786 -2.264 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.423 -2.862 -8.161 1.00 0.00 H new ATOM 62 N GLU A 5 -4.273 1.854 -10.849 1.00 0.00 N ATOM 63 CA GLU A 5 -4.798 3.053 -11.479 1.00 0.00 C ATOM 64 C GLU A 5 -4.863 2.870 -12.997 1.00 0.00 C ATOM 65 O GLU A 5 -4.352 3.700 -13.748 1.00 0.00 O ATOM 66 CB GLU A 5 -3.961 4.279 -11.109 1.00 0.00 C ATOM 67 CG GLU A 5 -4.397 5.504 -11.914 1.00 0.00 C ATOM 68 CD GLU A 5 -4.351 6.769 -11.055 1.00 0.00 C ATOM 69 OE1 GLU A 5 -3.223 7.255 -10.820 1.00 0.00 O ATOM 70 OE2 GLU A 5 -5.444 7.222 -10.652 1.00 0.00 O ATOM 0 H GLU A 5 -3.279 1.690 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.810 3.221 -11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.062 4.485 -10.043 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.907 4.074 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.747 5.625 -12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.408 5.354 -12.293 1.00 0.00 H new ATOM 77 N TRP A 6 -5.494 1.779 -13.403 1.00 0.00 N ATOM 78 CA TRP A 6 -5.632 1.477 -14.818 1.00 0.00 C ATOM 79 C TRP A 6 -6.974 2.037 -15.293 1.00 0.00 C ATOM 80 O TRP A 6 -7.197 2.190 -16.493 1.00 0.00 O ATOM 81 CB TRP A 6 -5.487 -0.025 -15.074 1.00 0.00 C ATOM 82 CG TRP A 6 -6.242 -0.903 -14.075 1.00 0.00 C ATOM 83 CD1 TRP A 6 -5.736 -1.646 -13.082 1.00 0.00 C ATOM 84 CD2 TRP A 6 -7.671 -1.100 -14.012 1.00 0.00 C ATOM 85 NE1 TRP A 6 -6.729 -2.305 -12.387 1.00 0.00 N ATOM 86 CE2 TRP A 6 -7.943 -1.962 -12.970 1.00 0.00 C ATOM 87 CE3 TRP A 6 -8.699 -0.567 -14.809 1.00 0.00 C ATOM 88 CZ2 TRP A 6 -9.239 -2.368 -12.629 1.00 0.00 C ATOM 89 CZ3 TRP A 6 -9.988 -0.982 -14.456 1.00 0.00 C ATOM 90 CH2 TRP A 6 -10.279 -1.850 -13.410 1.00 0.00 C ATOM 0 H TRP A 6 -5.916 1.093 -12.777 1.00 0.00 H new ATOM 0 HA TRP A 6 -4.835 1.949 -15.393 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.844 -0.248 -16.080 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.429 -0.287 -15.046 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.683 -1.720 -12.854 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.596 -2.929 -11.591 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -8.509 0.109 -15.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -9.426 -3.044 -11.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.815 -0.601 -15.037 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.303 -2.124 -13.201 1.00 0.00 H new ATOM 101 N PHE A 7 -7.832 2.329 -14.326 1.00 0.00 N ATOM 102 CA PHE A 7 -9.146 2.870 -14.631 1.00 0.00 C ATOM 103 C PHE A 7 -9.144 4.398 -14.545 1.00 0.00 C ATOM 104 O PHE A 7 -8.488 4.973 -13.678 1.00 0.00 O ATOM 105 CB PHE A 7 -10.112 2.314 -13.583 1.00 0.00 C ATOM 106 CG PHE A 7 -11.489 2.981 -13.590 1.00 0.00 C ATOM 107 CD1 PHE A 7 -12.211 3.039 -14.741 1.00 0.00 C ATOM 108 CD2 PHE A 7 -11.990 3.517 -12.444 1.00 0.00 C ATOM 109 CE1 PHE A 7 -13.489 3.658 -14.747 1.00 0.00 C ATOM 110 CE2 PHE A 7 -13.268 4.136 -12.451 1.00 0.00 C ATOM 111 CZ PHE A 7 -13.990 4.194 -13.602 1.00 0.00 C ATOM 0 H PHE A 7 -7.643 2.201 -13.332 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.438 2.590 -15.643 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.237 1.244 -13.750 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.667 2.432 -12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.812 2.614 -15.650 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -11.416 3.472 -11.530 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.063 3.703 -15.661 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.667 4.561 -11.542 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.961 4.666 -13.607 1.00 0.00 H new ATOM 121 N PHE A 8 -9.884 5.011 -15.457 1.00 0.00 N ATOM 122 CA PHE A 8 -9.976 6.460 -15.496 1.00 0.00 C ATOM 123 C PHE A 8 -11.436 6.916 -15.547 1.00 0.00 C ATOM 124 O PHE A 8 -12.323 6.133 -15.881 1.00 0.00 O ATOM 125 CB PHE A 8 -9.266 6.919 -16.770 1.00 0.00 C ATOM 126 CG PHE A 8 -7.757 7.117 -16.606 1.00 0.00 C ATOM 127 CD1 PHE A 8 -6.965 6.061 -16.280 1.00 0.00 C ATOM 128 CD2 PHE A 8 -7.209 8.349 -16.785 1.00 0.00 C ATOM 129 CE1 PHE A 8 -5.565 6.245 -16.127 1.00 0.00 C ATOM 130 CE2 PHE A 8 -5.810 8.532 -16.632 1.00 0.00 C ATOM 131 CZ PHE A 8 -5.017 7.477 -16.307 1.00 0.00 C ATOM 0 H PHE A 8 -10.426 4.530 -16.175 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.522 6.886 -14.601 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.442 6.185 -17.556 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.711 7.857 -17.104 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.400 5.083 -16.137 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.838 9.188 -17.043 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.935 5.407 -15.868 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.375 9.510 -16.774 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.952 7.617 -16.192 1.00 0.00 H new ATOM 141 N LYS A 9 -11.639 8.182 -15.211 1.00 0.00 N ATOM 142 CA LYS A 9 -12.976 8.751 -15.214 1.00 0.00 C ATOM 143 C LYS A 9 -13.499 8.804 -16.651 1.00 0.00 C ATOM 144 O LYS A 9 -12.829 8.349 -17.576 1.00 0.00 O ATOM 145 CB LYS A 9 -12.982 10.108 -14.507 1.00 0.00 C ATOM 146 CG LYS A 9 -12.156 11.135 -15.284 1.00 0.00 C ATOM 147 CD LYS A 9 -10.960 11.614 -14.458 1.00 0.00 C ATOM 148 CE LYS A 9 -11.413 12.512 -13.305 1.00 0.00 C ATOM 149 NZ LYS A 9 -10.618 13.759 -13.275 1.00 0.00 N ATOM 0 H LYS A 9 -10.900 8.829 -14.935 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.661 8.119 -14.648 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.007 10.464 -14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.579 9.999 -13.500 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.805 10.694 -16.217 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.783 11.986 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.419 10.754 -14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.267 12.160 -15.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.471 12.751 -13.416 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.304 11.982 -12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.939 14.356 -12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.612 13.527 -13.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.743 14.272 -14.171 1.00 0.00 H new ATOM 163 N GLY A 10 -14.691 9.365 -16.792 1.00 0.00 N ATOM 164 CA GLY A 10 -15.312 9.483 -18.100 1.00 0.00 C ATOM 165 C GLY A 10 -14.548 10.473 -18.982 1.00 0.00 C ATOM 166 O GLY A 10 -15.077 11.523 -19.345 1.00 0.00 O ATOM 0 H GLY A 10 -15.243 9.743 -16.022 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.340 8.506 -18.583 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.345 9.812 -17.988 1.00 0.00 H new ATOM 170 N ILE A 11 -13.316 10.104 -19.301 1.00 0.00 N ATOM 171 CA ILE A 11 -12.474 10.946 -20.133 1.00 0.00 C ATOM 172 C ILE A 11 -12.852 10.744 -21.602 1.00 0.00 C ATOM 173 O ILE A 11 -13.433 9.722 -21.962 1.00 0.00 O ATOM 174 CB ILE A 11 -10.996 10.686 -19.836 1.00 0.00 C ATOM 175 CG1 ILE A 11 -10.175 11.970 -19.971 1.00 0.00 C ATOM 176 CG2 ILE A 11 -10.450 9.561 -20.718 1.00 0.00 C ATOM 177 CD1 ILE A 11 -8.676 11.672 -19.905 1.00 0.00 C ATOM 0 H ILE A 11 -12.881 9.233 -18.998 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.640 11.998 -19.903 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.908 10.356 -18.801 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.411 12.459 -20.916 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.447 12.665 -19.176 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.398 9.396 -20.487 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.011 8.646 -20.529 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.552 9.839 -21.767 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.116 12.602 -20.003 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.440 11.205 -18.949 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.403 10.996 -20.716 1.00 0.00 H new ATOM 189 N SER A 12 -12.505 11.735 -22.410 1.00 0.00 N ATOM 190 CA SER A 12 -12.800 11.679 -23.832 1.00 0.00 C ATOM 191 C SER A 12 -11.726 10.867 -24.558 1.00 0.00 C ATOM 192 O SER A 12 -10.598 10.758 -24.081 1.00 0.00 O ATOM 193 CB SER A 12 -12.898 13.084 -24.430 1.00 0.00 C ATOM 194 OG SER A 12 -11.627 13.576 -24.848 1.00 0.00 O ATOM 0 H SER A 12 -12.022 12.581 -22.107 1.00 0.00 H new ATOM 0 HA SER A 12 -13.765 11.190 -23.962 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.579 13.069 -25.281 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.325 13.763 -23.692 1.00 0.00 H new ATOM 0 HG SER A 12 -11.732 14.474 -25.225 1.00 0.00 H new ATOM 200 N ARG A 13 -12.115 10.317 -25.699 1.00 0.00 N ATOM 201 CA ARG A 13 -11.200 9.518 -26.495 1.00 0.00 C ATOM 202 C ARG A 13 -10.050 10.384 -27.012 1.00 0.00 C ATOM 203 O ARG A 13 -8.972 9.875 -27.315 1.00 0.00 O ATOM 204 CB ARG A 13 -11.919 8.876 -27.683 1.00 0.00 C ATOM 205 CG ARG A 13 -10.917 8.302 -28.686 1.00 0.00 C ATOM 206 CD ARG A 13 -10.706 9.261 -29.860 1.00 0.00 C ATOM 207 NE ARG A 13 -11.758 9.051 -30.880 1.00 0.00 N ATOM 208 CZ ARG A 13 -11.762 9.635 -32.086 1.00 0.00 C ATOM 209 NH1 ARG A 13 -10.770 10.467 -32.430 1.00 0.00 N ATOM 210 NH2 ARG A 13 -12.758 9.387 -32.947 1.00 0.00 N ATOM 0 H ARG A 13 -13.052 10.409 -26.091 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.806 8.729 -25.854 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.578 8.084 -27.329 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.548 9.617 -28.176 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.965 8.115 -28.189 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.277 7.342 -29.056 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.731 10.292 -29.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.723 9.098 -30.301 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.528 8.423 -30.650 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.012 10.656 -31.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.773 10.912 -33.348 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.513 8.754 -32.684 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.761 9.832 -33.865 1.00 0.00 H new ATOM 224 N LYS A 14 -10.318 11.679 -27.095 1.00 0.00 N ATOM 225 CA LYS A 14 -9.319 12.621 -27.570 1.00 0.00 C ATOM 226 C LYS A 14 -8.345 12.940 -26.434 1.00 0.00 C ATOM 227 O LYS A 14 -7.141 13.053 -26.658 1.00 0.00 O ATOM 228 CB LYS A 14 -9.992 13.859 -28.169 1.00 0.00 C ATOM 229 CG LYS A 14 -10.265 13.665 -29.662 1.00 0.00 C ATOM 230 CD LYS A 14 -10.865 14.931 -30.278 1.00 0.00 C ATOM 231 CE LYS A 14 -10.596 14.989 -31.783 1.00 0.00 C ATOM 232 NZ LYS A 14 -11.193 16.209 -32.369 1.00 0.00 N ATOM 0 H LYS A 14 -11.213 12.098 -26.841 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.734 12.182 -28.378 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.928 14.057 -27.647 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.355 14.731 -28.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.337 13.411 -30.175 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.948 12.828 -29.805 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.939 14.954 -30.096 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.441 15.811 -29.795 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.522 14.978 -31.967 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.011 14.105 -32.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.001 16.233 -33.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.221 16.204 -32.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.777 17.049 -31.919 1.00 0.00 H new ATOM 246 N ASP A 15 -8.902 13.076 -25.240 1.00 0.00 N ATOM 247 CA ASP A 15 -8.097 13.379 -24.069 1.00 0.00 C ATOM 248 C ASP A 15 -7.246 12.160 -23.710 1.00 0.00 C ATOM 249 O ASP A 15 -6.155 12.300 -23.161 1.00 0.00 O ATOM 250 CB ASP A 15 -8.981 13.711 -22.864 1.00 0.00 C ATOM 251 CG ASP A 15 -9.372 15.184 -22.735 1.00 0.00 C ATOM 252 OD1 ASP A 15 -8.594 16.024 -23.236 1.00 0.00 O ATOM 253 OD2 ASP A 15 -10.440 15.437 -22.137 1.00 0.00 O ATOM 0 H ASP A 15 -9.901 12.982 -25.058 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.470 14.239 -24.304 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.890 13.113 -22.924 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.460 13.408 -21.956 1.00 0.00 H new ATOM 258 N ALA A 16 -7.778 10.991 -24.035 1.00 0.00 N ATOM 259 CA ALA A 16 -7.081 9.747 -23.754 1.00 0.00 C ATOM 260 C ALA A 16 -6.008 9.517 -24.820 1.00 0.00 C ATOM 261 O ALA A 16 -5.022 8.824 -24.574 1.00 0.00 O ATOM 262 CB ALA A 16 -8.091 8.600 -23.686 1.00 0.00 C ATOM 0 H ALA A 16 -8.684 10.879 -24.490 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.580 9.797 -22.787 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.568 7.667 -23.475 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.814 8.798 -22.894 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.612 8.517 -24.640 1.00 0.00 H new ATOM 268 N GLU A 17 -6.236 10.111 -25.982 1.00 0.00 N ATOM 269 CA GLU A 17 -5.301 9.980 -27.086 1.00 0.00 C ATOM 270 C GLU A 17 -4.130 10.948 -26.909 1.00 0.00 C ATOM 271 O GLU A 17 -3.058 10.742 -27.476 1.00 0.00 O ATOM 272 CB GLU A 17 -6.001 10.207 -28.428 1.00 0.00 C ATOM 273 CG GLU A 17 -6.559 8.895 -28.984 1.00 0.00 C ATOM 274 CD GLU A 17 -6.765 8.985 -30.498 1.00 0.00 C ATOM 275 OE1 GLU A 17 -6.976 10.121 -30.975 1.00 0.00 O ATOM 276 OE2 GLU A 17 -6.707 7.916 -31.143 1.00 0.00 O ATOM 0 H GLU A 17 -7.055 10.685 -26.183 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.909 8.963 -27.085 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.810 10.927 -28.303 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.298 10.638 -29.141 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.875 8.078 -28.754 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.507 8.663 -28.498 1.00 0.00 H new ATOM 283 N ARG A 18 -4.374 11.983 -26.118 1.00 0.00 N ATOM 284 CA ARG A 18 -3.353 12.983 -25.858 1.00 0.00 C ATOM 285 C ARG A 18 -2.473 12.551 -24.684 1.00 0.00 C ATOM 286 O ARG A 18 -1.304 12.927 -24.608 1.00 0.00 O ATOM 287 CB ARG A 18 -3.981 14.342 -25.542 1.00 0.00 C ATOM 288 CG ARG A 18 -4.278 15.121 -26.826 1.00 0.00 C ATOM 289 CD ARG A 18 -3.264 16.249 -27.030 1.00 0.00 C ATOM 290 NE ARG A 18 -3.322 16.735 -28.426 1.00 0.00 N ATOM 291 CZ ARG A 18 -2.687 16.151 -29.452 1.00 0.00 C ATOM 292 NH1 ARG A 18 -1.943 15.057 -29.244 1.00 0.00 N ATOM 293 NH2 ARG A 18 -2.797 16.662 -30.686 1.00 0.00 N ATOM 0 H ARG A 18 -5.264 12.150 -25.649 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.744 13.077 -26.757 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.903 14.198 -24.978 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.307 14.920 -24.909 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.252 14.445 -27.680 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.285 15.536 -26.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.475 17.068 -26.342 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.260 15.892 -26.802 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.880 17.566 -28.620 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.859 14.668 -28.305 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.460 14.613 -30.025 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.364 17.495 -30.844 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.314 16.218 -31.467 1.00 0.00 H new ATOM 307 N GLN A 19 -3.067 11.766 -23.798 1.00 0.00 N ATOM 308 CA GLN A 19 -2.352 11.278 -22.631 1.00 0.00 C ATOM 309 C GLN A 19 -1.464 10.091 -23.011 1.00 0.00 C ATOM 310 O GLN A 19 -0.431 9.859 -22.385 1.00 0.00 O ATOM 311 CB GLN A 19 -3.323 10.900 -21.511 1.00 0.00 C ATOM 312 CG GLN A 19 -3.904 12.149 -20.844 1.00 0.00 C ATOM 313 CD GLN A 19 -4.238 11.881 -19.375 1.00 0.00 C ATOM 314 OE1 GLN A 19 -3.409 11.447 -18.592 1.00 0.00 O ATOM 315 NE2 GLN A 19 -5.495 12.163 -19.047 1.00 0.00 N ATOM 0 H GLN A 19 -4.036 11.455 -23.865 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.714 12.080 -22.258 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.131 10.290 -21.916 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.807 10.293 -20.767 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.189 12.969 -20.914 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.803 12.464 -21.374 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.137 12.524 -19.752 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.817 12.019 -18.090 1.00 0.00 H new ATOM 324 N LEU A 20 -1.900 9.370 -24.034 1.00 0.00 N ATOM 325 CA LEU A 20 -1.157 8.213 -24.504 1.00 0.00 C ATOM 326 C LEU A 20 -0.007 8.680 -25.398 1.00 0.00 C ATOM 327 O LEU A 20 1.141 8.288 -25.194 1.00 0.00 O ATOM 328 CB LEU A 20 -2.097 7.213 -25.182 1.00 0.00 C ATOM 329 CG LEU A 20 -3.009 6.412 -24.250 1.00 0.00 C ATOM 330 CD1 LEU A 20 -4.166 5.780 -25.026 1.00 0.00 C ATOM 331 CD2 LEU A 20 -2.210 5.372 -23.462 1.00 0.00 C ATOM 0 H LEU A 20 -2.758 9.565 -24.550 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.712 7.679 -23.665 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.722 7.755 -25.892 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.494 6.512 -25.759 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.445 7.099 -23.525 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.799 5.216 -24.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.755 6.563 -25.503 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.769 5.109 -25.788 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.882 4.817 -22.807 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.727 4.683 -24.155 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.452 5.874 -22.862 1.00 0.00 H new ATOM 343 N LEU A 21 -0.355 9.509 -26.371 1.00 0.00 N ATOM 344 CA LEU A 21 0.634 10.033 -27.297 1.00 0.00 C ATOM 345 C LEU A 21 1.625 10.915 -26.534 1.00 0.00 C ATOM 346 O LEU A 21 2.721 11.188 -27.021 1.00 0.00 O ATOM 347 CB LEU A 21 -0.050 10.746 -28.465 1.00 0.00 C ATOM 348 CG LEU A 21 -0.699 9.842 -29.516 1.00 0.00 C ATOM 349 CD1 LEU A 21 -1.767 10.599 -30.306 1.00 0.00 C ATOM 350 CD2 LEU A 21 0.358 9.219 -30.431 1.00 0.00 C ATOM 0 H LEU A 21 -1.308 9.831 -26.538 1.00 0.00 H new ATOM 0 HA LEU A 21 1.207 9.220 -27.742 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.816 11.409 -28.062 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.687 11.376 -28.962 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.201 9.024 -29.000 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.212 9.934 -31.046 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.541 10.954 -29.625 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.311 11.450 -30.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.129 8.581 -31.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.909 10.009 -30.942 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.049 8.622 -29.835 1.00 0.00 H new ATOM 362 N ALA A 22 1.203 11.335 -25.351 1.00 0.00 N ATOM 363 CA ALA A 22 2.040 12.180 -24.515 1.00 0.00 C ATOM 364 C ALA A 22 3.330 11.433 -24.172 1.00 0.00 C ATOM 365 O ALA A 22 3.389 10.209 -24.276 1.00 0.00 O ATOM 366 CB ALA A 22 1.259 12.599 -23.268 1.00 0.00 C ATOM 0 H ALA A 22 0.293 11.106 -24.951 1.00 0.00 H new ATOM 0 HA ALA A 22 2.318 13.090 -25.046 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.887 13.233 -22.641 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.368 13.152 -23.565 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.965 11.712 -22.707 1.00 0.00 H new ATOM 372 N PRO A 23 4.358 12.222 -23.758 1.00 0.00 N ATOM 373 CA PRO A 23 5.643 11.648 -23.398 1.00 0.00 C ATOM 374 C PRO A 23 5.574 10.961 -22.032 1.00 0.00 C ATOM 375 O PRO A 23 6.406 10.112 -21.718 1.00 0.00 O ATOM 376 CB PRO A 23 6.617 12.815 -23.427 1.00 0.00 C ATOM 377 CG PRO A 23 5.765 14.071 -23.346 1.00 0.00 C ATOM 378 CD PRO A 23 4.324 13.675 -23.621 1.00 0.00 C ATOM 0 HA PRO A 23 5.960 10.864 -24.085 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.315 12.762 -22.591 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.212 12.805 -24.340 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.854 14.529 -22.361 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.103 14.809 -24.073 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.667 13.981 -22.807 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.949 14.149 -24.528 1.00 0.00 H new ATOM 386 N GLY A 24 4.574 11.355 -21.257 1.00 0.00 N ATOM 387 CA GLY A 24 4.386 10.788 -19.933 1.00 0.00 C ATOM 388 C GLY A 24 4.283 9.263 -19.999 1.00 0.00 C ATOM 389 O GLY A 24 4.723 8.568 -19.085 1.00 0.00 O ATOM 0 H GLY A 24 3.886 12.060 -21.521 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.219 11.072 -19.290 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.482 11.198 -19.483 1.00 0.00 H new ATOM 393 N ASN A 25 3.698 8.788 -21.088 1.00 0.00 N ATOM 394 CA ASN A 25 3.531 7.358 -21.286 1.00 0.00 C ATOM 395 C ASN A 25 4.336 6.919 -22.510 1.00 0.00 C ATOM 396 O ASN A 25 4.924 7.750 -23.201 1.00 0.00 O ATOM 397 CB ASN A 25 2.063 7.004 -21.533 1.00 0.00 C ATOM 398 CG ASN A 25 1.181 7.487 -20.380 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.886 6.761 -19.445 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.778 8.748 -20.499 1.00 0.00 N ATOM 0 H ASN A 25 3.333 9.368 -21.843 1.00 0.00 H new ATOM 0 HA ASN A 25 3.878 6.850 -20.386 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.728 7.457 -22.466 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.960 5.925 -21.647 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.185 9.164 -19.781 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.062 9.300 -21.308 1.00 0.00 H new ATOM 407 N MET A 26 4.338 5.615 -22.741 1.00 0.00 N ATOM 408 CA MET A 26 5.061 5.055 -23.870 1.00 0.00 C ATOM 409 C MET A 26 4.322 3.849 -24.452 1.00 0.00 C ATOM 410 O MET A 26 3.416 3.307 -23.820 1.00 0.00 O ATOM 411 CB MET A 26 6.460 4.629 -23.420 1.00 0.00 C ATOM 412 CG MET A 26 6.384 3.497 -22.393 1.00 0.00 C ATOM 413 SD MET A 26 7.931 3.367 -21.512 1.00 0.00 S ATOM 414 CE MET A 26 7.521 4.276 -20.031 1.00 0.00 C ATOM 0 H MET A 26 3.850 4.929 -22.165 1.00 0.00 H new ATOM 0 HA MET A 26 5.135 5.819 -24.644 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.040 4.303 -24.283 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.983 5.482 -22.988 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.571 3.685 -21.691 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.161 2.555 -22.894 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.383 4.293 -19.364 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.246 5.297 -20.295 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.683 3.793 -19.528 1.00 0.00 H new ATOM 424 N LEU A 27 4.735 3.463 -25.650 1.00 0.00 N ATOM 425 CA LEU A 27 4.123 2.330 -26.324 1.00 0.00 C ATOM 426 C LEU A 27 3.848 1.224 -25.304 1.00 0.00 C ATOM 427 O LEU A 27 4.701 0.912 -24.475 1.00 0.00 O ATOM 428 CB LEU A 27 4.987 1.878 -27.503 1.00 0.00 C ATOM 429 CG LEU A 27 4.237 1.543 -28.794 1.00 0.00 C ATOM 430 CD1 LEU A 27 3.613 0.147 -28.719 1.00 0.00 C ATOM 431 CD2 LEU A 27 3.198 2.618 -29.120 1.00 0.00 C ATOM 0 H LEU A 27 5.486 3.915 -26.172 1.00 0.00 H new ATOM 0 HA LEU A 27 3.162 2.615 -26.753 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.711 2.664 -27.720 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.554 0.999 -27.197 1.00 0.00 H new ATOM 0 HG LEU A 27 4.956 1.531 -29.613 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.086 -0.066 -29.649 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.397 -0.595 -28.568 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.911 0.107 -27.886 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.680 2.355 -30.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.477 2.686 -28.305 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.696 3.579 -29.245 1.00 0.00 H new ATOM 443 N GLY A 28 2.652 0.660 -25.399 1.00 0.00 N ATOM 444 CA GLY A 28 2.253 -0.405 -24.495 1.00 0.00 C ATOM 445 C GLY A 28 1.310 0.120 -23.411 1.00 0.00 C ATOM 446 O GLY A 28 0.571 -0.650 -22.800 1.00 0.00 O ATOM 0 H GLY A 28 1.947 0.921 -26.088 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.761 -1.198 -25.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.137 -0.844 -24.032 1.00 0.00 H new ATOM 450 N SER A 29 1.366 1.428 -23.206 1.00 0.00 N ATOM 451 CA SER A 29 0.525 2.065 -22.207 1.00 0.00 C ATOM 452 C SER A 29 -0.948 1.920 -22.592 1.00 0.00 C ATOM 453 O SER A 29 -1.312 2.116 -23.751 1.00 0.00 O ATOM 454 CB SER A 29 0.888 3.542 -22.042 1.00 0.00 C ATOM 455 OG SER A 29 2.214 3.714 -21.549 1.00 0.00 O ATOM 0 H SER A 29 1.981 2.064 -23.715 1.00 0.00 H new ATOM 0 HA SER A 29 0.694 1.568 -21.252 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.790 4.049 -23.002 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.183 4.014 -21.358 1.00 0.00 H new ATOM 0 HG SER A 29 2.848 3.281 -22.158 1.00 0.00 H new ATOM 461 N PHE A 30 -1.756 1.578 -21.599 1.00 0.00 N ATOM 462 CA PHE A 30 -3.182 1.405 -21.820 1.00 0.00 C ATOM 463 C PHE A 30 -3.994 2.068 -20.706 1.00 0.00 C ATOM 464 O PHE A 30 -3.471 2.329 -19.623 1.00 0.00 O ATOM 465 CB PHE A 30 -3.456 -0.100 -21.808 1.00 0.00 C ATOM 466 CG PHE A 30 -3.263 -0.757 -20.440 1.00 0.00 C ATOM 467 CD1 PHE A 30 -2.014 -1.087 -20.014 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.341 -1.012 -19.650 1.00 0.00 C ATOM 469 CE1 PHE A 30 -1.835 -1.697 -18.744 1.00 0.00 C ATOM 470 CE2 PHE A 30 -4.161 -1.622 -18.380 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.913 -1.951 -17.954 1.00 0.00 C ATOM 0 H PHE A 30 -1.450 1.416 -20.639 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.471 1.864 -22.765 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.478 -0.275 -22.143 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.797 -0.585 -22.529 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.159 -0.885 -20.642 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.333 -0.751 -19.988 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.843 -1.959 -18.406 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.016 -1.825 -17.752 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.777 -2.414 -16.988 1.00 0.00 H new ATOM 481 N MET A 31 -5.258 2.322 -21.010 1.00 0.00 N ATOM 482 CA MET A 31 -6.147 2.950 -20.048 1.00 0.00 C ATOM 483 C MET A 31 -7.601 2.544 -20.299 1.00 0.00 C ATOM 484 O MET A 31 -7.993 2.301 -21.439 1.00 0.00 O ATOM 485 CB MET A 31 -6.017 4.471 -20.149 1.00 0.00 C ATOM 486 CG MET A 31 -6.743 5.003 -21.386 1.00 0.00 C ATOM 487 SD MET A 31 -5.840 6.378 -22.080 1.00 0.00 S ATOM 488 CE MET A 31 -5.743 7.439 -20.648 1.00 0.00 C ATOM 0 H MET A 31 -5.688 2.104 -21.909 1.00 0.00 H new ATOM 0 HA MET A 31 -5.864 2.618 -19.049 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.430 4.935 -19.253 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.964 4.747 -20.194 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.842 4.211 -22.128 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.752 5.318 -21.119 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.253 8.374 -20.920 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.748 7.650 -20.282 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.169 6.943 -19.866 1.00 0.00 H new ATOM 498 N ILE A 32 -8.361 2.484 -19.215 1.00 0.00 N ATOM 499 CA ILE A 32 -9.762 2.112 -19.303 1.00 0.00 C ATOM 500 C ILE A 32 -10.627 3.286 -18.838 1.00 0.00 C ATOM 501 O ILE A 32 -10.260 4.001 -17.907 1.00 0.00 O ATOM 502 CB ILE A 32 -10.022 0.815 -18.535 1.00 0.00 C ATOM 503 CG1 ILE A 32 -9.379 -0.379 -19.243 1.00 0.00 C ATOM 504 CG2 ILE A 32 -11.519 0.605 -18.303 1.00 0.00 C ATOM 505 CD1 ILE A 32 -9.235 -1.569 -18.292 1.00 0.00 C ATOM 0 H ILE A 32 -8.032 2.687 -18.271 1.00 0.00 H new ATOM 0 HA ILE A 32 -10.036 1.903 -20.337 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.553 0.899 -17.554 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.986 -0.667 -20.102 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.399 -0.094 -19.626 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.675 -0.324 -17.755 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.918 1.439 -17.725 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.032 0.551 -19.263 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.775 -2.404 -18.821 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.608 -1.285 -17.447 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.219 -1.867 -17.930 1.00 0.00 H new ATOM 517 N ARG A 33 -11.759 3.447 -19.507 1.00 0.00 N ATOM 518 CA ARG A 33 -12.679 4.521 -19.173 1.00 0.00 C ATOM 519 C ARG A 33 -14.120 4.097 -19.469 1.00 0.00 C ATOM 520 O ARG A 33 -14.353 3.032 -20.038 1.00 0.00 O ATOM 521 CB ARG A 33 -12.355 5.789 -19.965 1.00 0.00 C ATOM 522 CG ARG A 33 -12.562 5.567 -21.465 1.00 0.00 C ATOM 523 CD ARG A 33 -12.040 6.757 -22.272 1.00 0.00 C ATOM 524 NE ARG A 33 -12.228 6.509 -23.719 1.00 0.00 N ATOM 525 CZ ARG A 33 -13.407 6.596 -24.349 1.00 0.00 C ATOM 526 NH1 ARG A 33 -14.510 6.926 -23.664 1.00 0.00 N ATOM 527 NH2 ARG A 33 -13.483 6.353 -25.665 1.00 0.00 N ATOM 0 H ARG A 33 -12.060 2.852 -20.279 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.570 4.733 -18.109 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.989 6.607 -19.624 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.323 6.086 -19.777 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.047 4.658 -21.776 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.622 5.420 -21.672 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.567 7.665 -21.979 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.984 6.918 -22.056 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.408 6.256 -24.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.452 7.111 -22.663 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.408 6.992 -24.144 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.643 6.102 -26.187 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.381 6.419 -26.145 1.00 0.00 H new ATOM 541 N ASP A 34 -15.048 4.953 -19.070 1.00 0.00 N ATOM 542 CA ASP A 34 -16.459 4.681 -19.285 1.00 0.00 C ATOM 543 C ASP A 34 -16.966 5.529 -20.453 1.00 0.00 C ATOM 544 O ASP A 34 -16.457 6.622 -20.698 1.00 0.00 O ATOM 545 CB ASP A 34 -17.285 5.040 -18.048 1.00 0.00 C ATOM 546 CG ASP A 34 -17.282 6.525 -17.678 1.00 0.00 C ATOM 547 OD1 ASP A 34 -16.354 6.925 -16.943 1.00 0.00 O ATOM 548 OD2 ASP A 34 -18.210 7.226 -18.137 1.00 0.00 O ATOM 0 H ASP A 34 -14.851 5.836 -18.599 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.568 3.617 -19.495 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.315 4.724 -18.213 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.908 4.469 -17.200 1.00 0.00 H new ATOM 553 N SER A 35 -17.961 4.994 -21.144 1.00 0.00 N ATOM 554 CA SER A 35 -18.542 5.688 -22.281 1.00 0.00 C ATOM 555 C SER A 35 -19.167 7.007 -21.825 1.00 0.00 C ATOM 556 O SER A 35 -19.519 7.161 -20.656 1.00 0.00 O ATOM 557 CB SER A 35 -19.589 4.819 -22.981 1.00 0.00 C ATOM 558 OG SER A 35 -20.095 5.438 -24.160 1.00 0.00 O ATOM 0 H SER A 35 -18.380 4.087 -20.939 1.00 0.00 H new ATOM 0 HA SER A 35 -17.747 5.898 -22.996 1.00 0.00 H new ATOM 0 HB2 SER A 35 -19.148 3.856 -23.238 1.00 0.00 H new ATOM 0 HB3 SER A 35 -20.412 4.619 -22.295 1.00 0.00 H new ATOM 0 HG SER A 35 -20.352 4.748 -24.807 1.00 0.00 H new ATOM 564 N GLU A 36 -19.287 7.927 -22.771 1.00 0.00 N ATOM 565 CA GLU A 36 -19.863 9.229 -22.481 1.00 0.00 C ATOM 566 C GLU A 36 -21.275 9.326 -23.063 1.00 0.00 C ATOM 567 O GLU A 36 -22.210 9.724 -22.370 1.00 0.00 O ATOM 568 CB GLU A 36 -18.973 10.354 -23.012 1.00 0.00 C ATOM 569 CG GLU A 36 -18.265 11.081 -21.867 1.00 0.00 C ATOM 570 CD GLU A 36 -17.460 12.273 -22.389 1.00 0.00 C ATOM 571 OE1 GLU A 36 -18.056 13.368 -22.471 1.00 0.00 O ATOM 572 OE2 GLU A 36 -16.266 12.061 -22.693 1.00 0.00 O ATOM 0 H GLU A 36 -18.995 7.796 -23.740 1.00 0.00 H new ATOM 0 HA GLU A 36 -19.928 9.342 -21.399 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.233 9.943 -23.699 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -19.576 11.063 -23.579 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.001 11.425 -21.140 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.602 10.389 -21.347 1.00 0.00 H new ATOM 579 N THR A 37 -21.385 8.954 -24.330 1.00 0.00 N ATOM 580 CA THR A 37 -22.667 8.994 -25.012 1.00 0.00 C ATOM 581 C THR A 37 -23.486 7.744 -24.684 1.00 0.00 C ATOM 582 O THR A 37 -24.559 7.839 -24.090 1.00 0.00 O ATOM 583 CB THR A 37 -22.400 9.169 -26.509 1.00 0.00 C ATOM 584 OG1 THR A 37 -21.488 8.121 -26.824 1.00 0.00 O ATOM 585 CG2 THR A 37 -21.620 10.449 -26.819 1.00 0.00 C ATOM 0 H THR A 37 -20.608 8.624 -24.902 1.00 0.00 H new ATOM 0 HA THR A 37 -23.269 9.837 -24.672 1.00 0.00 H new ATOM 0 HB THR A 37 -23.348 9.182 -27.048 1.00 0.00 H new ATOM 0 HG1 THR A 37 -21.262 8.159 -27.777 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.457 10.525 -27.894 1.00 0.00 H new ATOM 0 HG22 THR A 37 -22.189 11.314 -26.476 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.658 10.422 -26.308 1.00 0.00 H new ATOM 593 N THR A 38 -22.948 6.601 -25.083 1.00 0.00 N ATOM 594 CA THR A 38 -23.615 5.334 -24.838 1.00 0.00 C ATOM 595 C THR A 38 -23.276 4.814 -23.440 1.00 0.00 C ATOM 596 O THR A 38 -22.613 3.788 -23.299 1.00 0.00 O ATOM 597 CB THR A 38 -23.220 4.368 -25.957 1.00 0.00 C ATOM 598 OG1 THR A 38 -23.878 4.886 -27.111 1.00 0.00 O ATOM 599 CG2 THR A 38 -23.831 2.977 -25.773 1.00 0.00 C ATOM 0 H THR A 38 -22.057 6.526 -25.574 1.00 0.00 H new ATOM 0 HA THR A 38 -24.699 5.448 -24.854 1.00 0.00 H new ATOM 0 HB THR A 38 -22.134 4.285 -25.998 1.00 0.00 H new ATOM 0 HG1 THR A 38 -23.675 4.320 -27.885 1.00 0.00 H new ATOM 0 HG21 THR A 38 -23.519 2.331 -26.594 1.00 0.00 H new ATOM 0 HG22 THR A 38 -23.492 2.553 -24.828 1.00 0.00 H new ATOM 0 HG23 THR A 38 -24.918 3.055 -25.766 1.00 0.00 H new ATOM 607 N LYS A 39 -23.747 5.547 -22.441 1.00 0.00 N ATOM 608 CA LYS A 39 -23.502 5.173 -21.059 1.00 0.00 C ATOM 609 C LYS A 39 -23.850 3.696 -20.865 1.00 0.00 C ATOM 610 O LYS A 39 -24.694 3.155 -21.578 1.00 0.00 O ATOM 611 CB LYS A 39 -24.251 6.111 -20.110 1.00 0.00 C ATOM 612 CG LYS A 39 -25.745 6.144 -20.438 1.00 0.00 C ATOM 613 CD LYS A 39 -26.589 5.975 -19.173 1.00 0.00 C ATOM 614 CE LYS A 39 -27.864 6.818 -19.247 1.00 0.00 C ATOM 615 NZ LYS A 39 -27.691 8.085 -18.502 1.00 0.00 N ATOM 0 H LYS A 39 -24.297 6.398 -22.562 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.446 5.286 -20.815 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.108 5.783 -19.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.836 7.116 -20.184 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -25.994 7.089 -20.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -25.983 5.351 -21.147 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -26.850 4.925 -19.044 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -26.005 6.268 -18.300 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -28.106 7.031 -20.288 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -28.702 6.257 -18.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -28.565 8.645 -18.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -27.482 7.876 -17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -26.904 8.626 -18.915 1.00 0.00 H new ATOM 629 N GLY A 40 -23.183 3.086 -19.897 1.00 0.00 N ATOM 630 CA GLY A 40 -23.411 1.681 -19.601 1.00 0.00 C ATOM 631 C GLY A 40 -22.359 0.800 -20.278 1.00 0.00 C ATOM 632 O GLY A 40 -22.180 -0.357 -19.904 1.00 0.00 O ATOM 0 H GLY A 40 -22.484 3.538 -19.307 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -23.383 1.524 -18.523 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -24.406 1.391 -19.940 1.00 0.00 H new ATOM 636 N SER A 41 -21.692 1.382 -21.264 1.00 0.00 N ATOM 637 CA SER A 41 -20.663 0.665 -21.998 1.00 0.00 C ATOM 638 C SER A 41 -19.289 1.261 -21.690 1.00 0.00 C ATOM 639 O SER A 41 -19.162 2.469 -21.495 1.00 0.00 O ATOM 640 CB SER A 41 -20.933 0.701 -23.503 1.00 0.00 C ATOM 641 OG SER A 41 -22.176 0.089 -23.838 1.00 0.00 O ATOM 0 H SER A 41 -21.844 2.342 -21.572 1.00 0.00 H new ATOM 0 HA SER A 41 -20.679 -0.377 -21.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 -20.934 1.736 -23.846 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.125 0.192 -24.028 1.00 0.00 H new ATOM 0 HG SER A 41 -22.312 0.134 -24.807 1.00 0.00 H new ATOM 647 N TYR A 42 -18.293 0.387 -21.656 1.00 0.00 N ATOM 648 CA TYR A 42 -16.933 0.813 -21.375 1.00 0.00 C ATOM 649 C TYR A 42 -16.119 0.934 -22.665 1.00 0.00 C ATOM 650 O TYR A 42 -16.470 0.338 -23.683 1.00 0.00 O ATOM 651 CB TYR A 42 -16.320 -0.283 -20.501 1.00 0.00 C ATOM 652 CG TYR A 42 -16.526 -0.069 -19.000 1.00 0.00 C ATOM 653 CD1 TYR A 42 -17.684 -0.509 -18.392 1.00 0.00 C ATOM 654 CD2 TYR A 42 -15.553 0.565 -18.253 1.00 0.00 C ATOM 655 CE1 TYR A 42 -17.878 -0.308 -16.980 1.00 0.00 C ATOM 656 CE2 TYR A 42 -15.747 0.766 -16.841 1.00 0.00 C ATOM 657 CZ TYR A 42 -16.900 0.320 -16.274 1.00 0.00 C ATOM 658 OH TYR A 42 -17.082 0.511 -14.940 1.00 0.00 O ATOM 0 H TYR A 42 -18.401 -0.614 -21.818 1.00 0.00 H new ATOM 0 HA TYR A 42 -16.929 1.788 -20.888 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -16.752 -1.243 -20.784 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -15.251 -0.342 -20.706 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -18.445 -1.005 -18.976 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -14.647 0.910 -18.728 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -18.780 -0.648 -16.492 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -14.994 1.260 -16.245 1.00 0.00 H new ATOM 0 HH TYR A 42 -16.302 0.971 -14.566 1.00 0.00 H new ATOM 668 N SER A 43 -15.048 1.709 -22.581 1.00 0.00 N ATOM 669 CA SER A 43 -14.182 1.915 -23.729 1.00 0.00 C ATOM 670 C SER A 43 -12.716 1.821 -23.302 1.00 0.00 C ATOM 671 O SER A 43 -12.282 2.530 -22.396 1.00 0.00 O ATOM 672 CB SER A 43 -14.456 3.268 -24.390 1.00 0.00 C ATOM 673 OG SER A 43 -15.848 3.489 -24.596 1.00 0.00 O ATOM 0 H SER A 43 -14.760 2.202 -21.736 1.00 0.00 H new ATOM 0 HA SER A 43 -14.392 1.134 -24.460 1.00 0.00 H new ATOM 0 HB2 SER A 43 -14.051 4.065 -23.766 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.936 3.316 -25.347 1.00 0.00 H new ATOM 0 HG SER A 43 -15.981 4.363 -25.018 1.00 0.00 H new ATOM 679 N LEU A 44 -11.992 0.938 -23.976 1.00 0.00 N ATOM 680 CA LEU A 44 -10.584 0.741 -23.678 1.00 0.00 C ATOM 681 C LEU A 44 -9.739 1.468 -24.725 1.00 0.00 C ATOM 682 O LEU A 44 -10.121 1.546 -25.892 1.00 0.00 O ATOM 683 CB LEU A 44 -10.265 -0.750 -23.557 1.00 0.00 C ATOM 684 CG LEU A 44 -8.781 -1.116 -23.491 1.00 0.00 C ATOM 685 CD1 LEU A 44 -8.155 -0.634 -22.181 1.00 0.00 C ATOM 686 CD2 LEU A 44 -8.575 -2.616 -23.707 1.00 0.00 C ATOM 0 H LEU A 44 -12.355 0.351 -24.727 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.335 1.176 -22.710 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.754 -1.134 -22.662 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.708 -1.266 -24.408 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.267 -0.601 -24.302 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.100 -0.907 -22.160 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.251 0.449 -22.109 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.667 -1.100 -21.340 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.511 -2.848 -23.655 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.106 -3.171 -22.934 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.961 -2.899 -24.686 1.00 0.00 H new ATOM 698 N SER A 45 -8.605 1.983 -24.272 1.00 0.00 N ATOM 699 CA SER A 45 -7.702 2.701 -25.155 1.00 0.00 C ATOM 700 C SER A 45 -6.256 2.291 -24.871 1.00 0.00 C ATOM 701 O SER A 45 -5.797 2.369 -23.733 1.00 0.00 O ATOM 702 CB SER A 45 -7.866 4.214 -24.998 1.00 0.00 C ATOM 703 OG SER A 45 -9.236 4.602 -24.965 1.00 0.00 O ATOM 0 H SER A 45 -8.291 1.917 -23.304 1.00 0.00 H new ATOM 0 HA SER A 45 -7.951 2.441 -26.184 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.375 4.538 -24.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.366 4.720 -25.823 1.00 0.00 H new ATOM 0 HG SER A 45 -9.298 5.575 -24.863 1.00 0.00 H new ATOM 709 N VAL A 46 -5.578 1.863 -25.926 1.00 0.00 N ATOM 710 CA VAL A 46 -4.193 1.441 -25.804 1.00 0.00 C ATOM 711 C VAL A 46 -3.352 2.151 -26.868 1.00 0.00 C ATOM 712 O VAL A 46 -3.877 2.580 -27.894 1.00 0.00 O ATOM 713 CB VAL A 46 -4.101 -0.084 -25.890 1.00 0.00 C ATOM 714 CG1 VAL A 46 -2.671 -0.563 -25.631 1.00 0.00 C ATOM 715 CG2 VAL A 46 -5.085 -0.748 -24.924 1.00 0.00 C ATOM 0 H VAL A 46 -5.962 1.799 -26.869 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.792 1.724 -24.830 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.375 -0.379 -26.903 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.634 -1.650 -25.698 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.002 -0.130 -26.375 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.357 -0.250 -24.635 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.999 -1.832 -25.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.856 -0.441 -23.903 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.102 -0.445 -25.175 1.00 0.00 H new ATOM 725 N ARG A 47 -2.062 2.252 -26.585 1.00 0.00 N ATOM 726 CA ARG A 47 -1.144 2.903 -27.505 1.00 0.00 C ATOM 727 C ARG A 47 -0.552 1.880 -28.477 1.00 0.00 C ATOM 728 O ARG A 47 -0.280 0.742 -28.097 1.00 0.00 O ATOM 729 CB ARG A 47 -0.007 3.596 -26.750 1.00 0.00 C ATOM 730 CG ARG A 47 0.671 4.649 -27.628 1.00 0.00 C ATOM 731 CD ARG A 47 1.677 5.471 -26.819 1.00 0.00 C ATOM 732 NE ARG A 47 2.658 6.106 -27.727 1.00 0.00 N ATOM 733 CZ ARG A 47 3.462 7.119 -27.375 1.00 0.00 C ATOM 734 NH1 ARG A 47 3.407 7.616 -26.132 1.00 0.00 N ATOM 735 NH2 ARG A 47 4.322 7.633 -28.265 1.00 0.00 N ATOM 0 H ARG A 47 -1.631 1.895 -25.733 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.707 3.653 -28.060 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.398 4.066 -25.848 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.727 2.856 -26.431 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.179 4.162 -28.460 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.082 5.310 -28.058 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.155 6.235 -26.243 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.193 4.829 -26.105 1.00 0.00 H new ATOM 0 HE ARG A 47 2.727 5.750 -28.681 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.754 7.223 -25.454 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.019 8.387 -25.863 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.365 7.253 -29.211 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.934 8.404 -27.997 1.00 0.00 H new ATOM 749 N ASP A 48 -0.370 2.322 -29.713 1.00 0.00 N ATOM 750 CA ASP A 48 0.184 1.459 -30.742 1.00 0.00 C ATOM 751 C ASP A 48 0.989 2.304 -31.731 1.00 0.00 C ATOM 752 O ASP A 48 0.838 3.524 -31.777 1.00 0.00 O ATOM 753 CB ASP A 48 -0.924 0.748 -31.520 1.00 0.00 C ATOM 754 CG ASP A 48 -0.438 -0.277 -32.547 1.00 0.00 C ATOM 755 OD1 ASP A 48 0.102 -1.313 -32.103 1.00 0.00 O ATOM 756 OD2 ASP A 48 -0.618 -0.001 -33.753 1.00 0.00 O ATOM 0 H ASP A 48 -0.596 3.266 -30.025 1.00 0.00 H new ATOM 0 HA ASP A 48 0.816 0.716 -30.255 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.581 0.245 -30.810 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.525 1.498 -32.034 1.00 0.00 H new ATOM 761 N TYR A 49 1.827 1.623 -32.498 1.00 0.00 N ATOM 762 CA TYR A 49 2.656 2.296 -33.484 1.00 0.00 C ATOM 763 C TYR A 49 2.604 1.572 -34.830 1.00 0.00 C ATOM 764 O TYR A 49 2.322 0.375 -34.886 1.00 0.00 O ATOM 765 CB TYR A 49 4.085 2.238 -32.942 1.00 0.00 C ATOM 766 CG TYR A 49 5.052 3.200 -33.635 1.00 0.00 C ATOM 767 CD1 TYR A 49 5.507 2.923 -34.909 1.00 0.00 C ATOM 768 CD2 TYR A 49 5.471 4.345 -32.987 1.00 0.00 C ATOM 769 CE1 TYR A 49 6.417 3.828 -35.561 1.00 0.00 C ATOM 770 CE2 TYR A 49 6.381 5.250 -33.640 1.00 0.00 C ATOM 771 CZ TYR A 49 6.809 4.947 -34.895 1.00 0.00 C ATOM 772 OH TYR A 49 7.669 5.802 -35.511 1.00 0.00 O ATOM 0 H TYR A 49 1.950 0.611 -32.457 1.00 0.00 H new ATOM 0 HA TYR A 49 2.310 3.317 -33.644 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.068 2.462 -31.875 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.462 1.221 -33.048 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.180 2.027 -35.416 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.116 4.562 -31.990 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.780 3.623 -36.557 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.716 6.149 -33.144 1.00 0.00 H new ATOM 0 HH TYR A 49 7.860 6.558 -34.917 1.00 0.00 H new ATOM 782 N ASP A 50 2.880 2.327 -35.883 1.00 0.00 N ATOM 783 CA ASP A 50 2.868 1.772 -37.226 1.00 0.00 C ATOM 784 C ASP A 50 4.056 2.329 -38.014 1.00 0.00 C ATOM 785 O ASP A 50 4.439 3.484 -37.832 1.00 0.00 O ATOM 786 CB ASP A 50 1.587 2.155 -37.969 1.00 0.00 C ATOM 787 CG ASP A 50 0.567 1.025 -38.125 1.00 0.00 C ATOM 788 OD1 ASP A 50 0.932 0.015 -38.765 1.00 0.00 O ATOM 789 OD2 ASP A 50 -0.554 1.195 -37.599 1.00 0.00 O ATOM 0 H ASP A 50 3.113 3.319 -35.833 1.00 0.00 H new ATOM 0 HA ASP A 50 2.926 0.687 -37.143 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.112 2.982 -37.441 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.855 2.521 -38.960 1.00 0.00 H new ATOM 794 N PRO A 51 4.620 1.460 -38.895 1.00 0.00 N ATOM 795 CA PRO A 51 5.756 1.853 -39.711 1.00 0.00 C ATOM 796 C PRO A 51 5.319 2.778 -40.849 1.00 0.00 C ATOM 797 O PRO A 51 6.156 3.307 -41.579 1.00 0.00 O ATOM 798 CB PRO A 51 6.357 0.547 -40.203 1.00 0.00 C ATOM 799 CG PRO A 51 5.272 -0.503 -40.031 1.00 0.00 C ATOM 800 CD PRO A 51 4.193 0.085 -39.136 1.00 0.00 C ATOM 0 HA PRO A 51 6.495 2.431 -39.155 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.662 0.626 -41.247 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.247 0.286 -39.630 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.855 -0.783 -40.998 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.684 -1.409 -39.587 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.217 0.053 -39.619 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.106 -0.472 -38.203 1.00 0.00 H new ATOM 808 N ARG A 52 4.010 2.943 -40.965 1.00 0.00 N ATOM 809 CA ARG A 52 3.452 3.794 -42.003 1.00 0.00 C ATOM 810 C ARG A 52 3.031 5.142 -41.414 1.00 0.00 C ATOM 811 O ARG A 52 3.535 6.187 -41.823 1.00 0.00 O ATOM 812 CB ARG A 52 2.241 3.134 -42.665 1.00 0.00 C ATOM 813 CG ARG A 52 2.679 2.054 -43.657 1.00 0.00 C ATOM 814 CD ARG A 52 2.818 0.697 -42.964 1.00 0.00 C ATOM 815 NE ARG A 52 2.599 -0.394 -43.940 1.00 0.00 N ATOM 816 CZ ARG A 52 3.496 -0.767 -44.863 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.677 -0.139 -44.942 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.211 -1.768 -45.707 1.00 0.00 N ATOM 0 H ARG A 52 3.319 2.502 -40.358 1.00 0.00 H new ATOM 0 HA ARG A 52 4.224 3.948 -42.757 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.600 2.693 -41.902 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.648 3.889 -43.182 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.951 1.981 -44.465 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.630 2.335 -44.109 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.809 0.606 -42.520 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.096 0.619 -42.151 1.00 0.00 H new ATOM 0 HE ARG A 52 1.710 -0.893 -43.908 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.893 0.623 -44.299 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.360 -0.423 -45.645 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.312 -2.246 -45.647 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.893 -2.052 -46.410 1.00 0.00 H new ATOM 832 N GLN A 53 2.110 5.075 -40.463 1.00 0.00 N ATOM 833 CA GLN A 53 1.616 6.277 -39.814 1.00 0.00 C ATOM 834 C GLN A 53 2.591 6.732 -38.726 1.00 0.00 C ATOM 835 O GLN A 53 3.168 7.815 -38.819 1.00 0.00 O ATOM 836 CB GLN A 53 0.217 6.052 -39.237 1.00 0.00 C ATOM 837 CG GLN A 53 -0.826 5.947 -40.352 1.00 0.00 C ATOM 838 CD GLN A 53 -1.724 7.185 -40.382 1.00 0.00 C ATOM 839 OE1 GLN A 53 -2.167 7.687 -39.362 1.00 0.00 O ATOM 840 NE2 GLN A 53 -1.968 7.647 -41.605 1.00 0.00 N ATOM 0 H GLN A 53 1.693 4.207 -40.127 1.00 0.00 H new ATOM 0 HA GLN A 53 1.543 7.067 -40.562 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.209 5.141 -38.639 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.041 6.874 -38.569 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.325 5.833 -41.313 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.435 5.055 -40.202 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.565 7.179 -42.417 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.558 8.470 -41.731 1.00 0.00 H new ATOM 849 N GLY A 54 2.745 5.883 -37.721 1.00 0.00 N ATOM 850 CA GLY A 54 3.640 6.185 -36.617 1.00 0.00 C ATOM 851 C GLY A 54 2.928 6.017 -35.273 1.00 0.00 C ATOM 852 O GLY A 54 2.220 5.034 -35.060 1.00 0.00 O ATOM 0 H GLY A 54 2.265 4.986 -37.648 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.508 5.527 -36.657 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.009 7.206 -36.712 1.00 0.00 H new ATOM 856 N ASP A 55 3.142 6.991 -34.401 1.00 0.00 N ATOM 857 CA ASP A 55 2.530 6.963 -33.083 1.00 0.00 C ATOM 858 C ASP A 55 1.010 7.047 -33.230 1.00 0.00 C ATOM 859 O ASP A 55 0.474 8.095 -33.587 1.00 0.00 O ATOM 860 CB ASP A 55 2.990 8.152 -32.237 1.00 0.00 C ATOM 861 CG ASP A 55 4.506 8.277 -32.067 1.00 0.00 C ATOM 862 OD1 ASP A 55 5.129 7.241 -31.749 1.00 0.00 O ATOM 863 OD2 ASP A 55 5.007 9.406 -32.259 1.00 0.00 O ATOM 0 H ASP A 55 3.730 7.804 -34.581 1.00 0.00 H new ATOM 0 HA ASP A 55 2.826 6.036 -32.593 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.614 9.069 -32.691 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.534 8.074 -31.250 1.00 0.00 H new ATOM 868 N THR A 56 0.357 5.929 -32.946 1.00 0.00 N ATOM 869 CA THR A 56 -1.091 5.864 -33.042 1.00 0.00 C ATOM 870 C THR A 56 -1.690 5.362 -31.727 1.00 0.00 C ATOM 871 O THR A 56 -0.965 4.912 -30.841 1.00 0.00 O ATOM 872 CB THR A 56 -1.446 4.987 -34.244 1.00 0.00 C ATOM 873 OG1 THR A 56 -1.212 3.658 -33.786 1.00 0.00 O ATOM 874 CG2 THR A 56 -0.464 5.159 -35.405 1.00 0.00 C ATOM 0 H THR A 56 0.804 5.062 -32.650 1.00 0.00 H new ATOM 0 HA THR A 56 -1.521 6.852 -33.203 1.00 0.00 H new ATOM 0 HB THR A 56 -2.454 5.227 -34.582 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.453 3.655 -33.166 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.762 4.514 -36.232 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.469 6.198 -35.735 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.539 4.887 -35.076 1.00 0.00 H new ATOM 882 N VAL A 57 -3.009 5.458 -31.640 1.00 0.00 N ATOM 883 CA VAL A 57 -3.714 5.020 -30.447 1.00 0.00 C ATOM 884 C VAL A 57 -4.970 4.247 -30.857 1.00 0.00 C ATOM 885 O VAL A 57 -5.802 4.759 -31.605 1.00 0.00 O ATOM 886 CB VAL A 57 -4.018 6.220 -29.548 1.00 0.00 C ATOM 887 CG1 VAL A 57 -4.490 5.764 -28.166 1.00 0.00 C ATOM 888 CG2 VAL A 57 -2.803 7.142 -29.436 1.00 0.00 C ATOM 0 H VAL A 57 -3.608 5.833 -32.376 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.091 4.343 -29.863 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.827 6.787 -30.008 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.699 6.636 -27.547 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.396 5.167 -28.270 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.711 5.163 -27.695 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.046 7.987 -28.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.965 6.590 -29.010 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.531 7.507 -30.426 1.00 0.00 H new ATOM 898 N LYS A 58 -5.067 3.027 -30.350 1.00 0.00 N ATOM 899 CA LYS A 58 -6.206 2.178 -30.654 1.00 0.00 C ATOM 900 C LYS A 58 -7.262 2.338 -29.558 1.00 0.00 C ATOM 901 O LYS A 58 -6.928 2.585 -28.401 1.00 0.00 O ATOM 902 CB LYS A 58 -5.756 0.732 -30.868 1.00 0.00 C ATOM 903 CG LYS A 58 -4.848 0.616 -32.094 1.00 0.00 C ATOM 904 CD LYS A 58 -5.656 0.264 -33.344 1.00 0.00 C ATOM 905 CE LYS A 58 -5.490 -1.213 -33.707 1.00 0.00 C ATOM 906 NZ LYS A 58 -6.150 -1.507 -34.999 1.00 0.00 N ATOM 0 H LYS A 58 -4.375 2.606 -29.730 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.669 2.484 -31.592 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.226 0.378 -29.984 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.628 0.091 -30.995 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.321 1.557 -32.251 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.091 -0.148 -31.919 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.710 0.484 -33.174 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.331 0.886 -34.178 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.430 -1.462 -33.768 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.919 -1.837 -32.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.028 -2.514 -35.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.164 -1.289 -34.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.722 -0.925 -35.748 1.00 0.00 H new ATOM 920 N HIS A 59 -8.515 2.190 -29.962 1.00 0.00 N ATOM 921 CA HIS A 59 -9.622 2.314 -29.029 1.00 0.00 C ATOM 922 C HIS A 59 -10.639 1.200 -29.287 1.00 0.00 C ATOM 923 O HIS A 59 -11.193 1.102 -30.381 1.00 0.00 O ATOM 924 CB HIS A 59 -10.241 3.711 -29.104 1.00 0.00 C ATOM 925 CG HIS A 59 -9.251 4.833 -28.899 1.00 0.00 C ATOM 926 ND1 HIS A 59 -8.949 5.348 -27.650 1.00 0.00 N ATOM 927 CD2 HIS A 59 -8.498 5.532 -29.796 1.00 0.00 C ATOM 928 CE1 HIS A 59 -8.055 6.314 -27.801 1.00 0.00 C ATOM 929 NE2 HIS A 59 -7.777 6.426 -29.132 1.00 0.00 N ATOM 0 H HIS A 59 -8.788 1.985 -30.923 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.257 2.195 -28.009 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.718 3.834 -30.076 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.026 3.790 -28.352 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -9.347 5.037 -26.764 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.490 5.383 -30.866 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.622 6.908 -27.010 1.00 0.00 H new ATOM 937 N TYR A 60 -10.853 0.389 -28.262 1.00 0.00 N ATOM 938 CA TYR A 60 -11.794 -0.714 -28.364 1.00 0.00 C ATOM 939 C TYR A 60 -12.984 -0.508 -27.425 1.00 0.00 C ATOM 940 O TYR A 60 -12.898 0.258 -26.467 1.00 0.00 O ATOM 941 CB TYR A 60 -11.026 -1.964 -27.930 1.00 0.00 C ATOM 942 CG TYR A 60 -9.600 -2.040 -28.479 1.00 0.00 C ATOM 943 CD1 TYR A 60 -8.584 -1.342 -27.859 1.00 0.00 C ATOM 944 CD2 TYR A 60 -9.329 -2.808 -29.594 1.00 0.00 C ATOM 945 CE1 TYR A 60 -7.242 -1.413 -28.375 1.00 0.00 C ATOM 946 CE2 TYR A 60 -7.987 -2.879 -30.110 1.00 0.00 C ATOM 947 CZ TYR A 60 -7.009 -2.179 -29.475 1.00 0.00 C ATOM 948 OH TYR A 60 -5.742 -2.246 -29.963 1.00 0.00 O ATOM 0 H TYR A 60 -10.391 0.473 -27.356 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.184 -0.794 -29.379 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.987 -1.994 -26.841 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -11.577 -2.847 -28.254 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.796 -0.742 -26.986 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.124 -3.355 -30.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.438 -0.870 -27.900 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.762 -3.475 -30.982 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.725 -2.830 -30.750 1.00 0.00 H new ATOM 958 N LYS A 61 -14.067 -1.207 -27.732 1.00 0.00 N ATOM 959 CA LYS A 61 -15.272 -1.111 -26.927 1.00 0.00 C ATOM 960 C LYS A 61 -15.346 -2.311 -25.981 1.00 0.00 C ATOM 961 O LYS A 61 -14.752 -3.355 -26.249 1.00 0.00 O ATOM 962 CB LYS A 61 -16.504 -0.958 -27.822 1.00 0.00 C ATOM 963 CG LYS A 61 -17.095 -2.323 -28.179 1.00 0.00 C ATOM 964 CD LYS A 61 -16.113 -3.145 -29.016 1.00 0.00 C ATOM 965 CE LYS A 61 -16.830 -4.289 -29.735 1.00 0.00 C ATOM 966 NZ LYS A 61 -15.849 -5.197 -30.371 1.00 0.00 N ATOM 0 H LYS A 61 -14.135 -1.842 -28.527 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.244 -0.216 -26.306 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.255 -0.354 -27.313 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.232 -0.426 -28.734 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.343 -2.865 -27.267 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.024 -2.187 -28.732 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.625 -2.501 -29.747 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.331 -3.548 -28.373 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.442 -4.845 -29.025 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.504 -3.886 -30.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.303 -5.701 -31.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.046 -4.643 -30.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.508 -5.886 -29.670 1.00 0.00 H new ATOM 980 N ILE A 62 -16.078 -2.123 -24.893 1.00 0.00 N ATOM 981 CA ILE A 62 -16.236 -3.177 -23.905 1.00 0.00 C ATOM 982 C ILE A 62 -17.724 -3.368 -23.603 1.00 0.00 C ATOM 983 O ILE A 62 -18.324 -2.566 -22.889 1.00 0.00 O ATOM 984 CB ILE A 62 -15.390 -2.881 -22.665 1.00 0.00 C ATOM 985 CG1 ILE A 62 -13.898 -2.888 -23.005 1.00 0.00 C ATOM 986 CG2 ILE A 62 -15.724 -3.850 -21.529 1.00 0.00 C ATOM 987 CD1 ILE A 62 -13.114 -1.989 -22.048 1.00 0.00 C ATOM 0 H ILE A 62 -16.569 -1.256 -24.674 1.00 0.00 H new ATOM 0 HA ILE A 62 -15.865 -4.124 -24.296 1.00 0.00 H new ATOM 0 HB ILE A 62 -15.636 -1.878 -22.315 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -13.514 -3.906 -22.950 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -13.753 -2.548 -24.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -15.109 -3.618 -20.660 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -16.777 -3.752 -21.265 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -15.525 -4.872 -21.852 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.057 -2.012 -22.311 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -13.485 -0.967 -22.123 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.241 -2.347 -21.026 1.00 0.00 H new ATOM 999 N ARG A 63 -18.277 -4.434 -24.163 1.00 0.00 N ATOM 1000 CA ARG A 63 -19.683 -4.740 -23.963 1.00 0.00 C ATOM 1001 C ARG A 63 -19.852 -5.721 -22.801 1.00 0.00 C ATOM 1002 O ARG A 63 -18.915 -6.433 -22.443 1.00 0.00 O ATOM 1003 CB ARG A 63 -20.300 -5.344 -25.225 1.00 0.00 C ATOM 1004 CG ARG A 63 -20.702 -4.251 -26.217 1.00 0.00 C ATOM 1005 CD ARG A 63 -22.201 -3.957 -26.132 1.00 0.00 C ATOM 1006 NE ARG A 63 -22.595 -3.016 -27.204 1.00 0.00 N ATOM 1007 CZ ARG A 63 -23.805 -2.448 -27.299 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -24.747 -2.724 -26.387 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -24.073 -1.606 -28.306 1.00 0.00 N ATOM 0 H ARG A 63 -17.776 -5.097 -24.755 1.00 0.00 H new ATOM 0 HA ARG A 63 -20.196 -3.806 -23.733 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -19.587 -6.021 -25.694 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -21.175 -5.937 -24.958 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -20.137 -3.342 -26.010 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -20.446 -4.562 -27.230 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.767 -4.884 -26.224 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.442 -3.532 -25.158 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.902 -2.785 -27.916 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -24.543 -3.366 -25.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -25.668 -2.292 -26.459 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -23.356 -1.397 -29.001 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.994 -1.174 -28.378 1.00 0.00 H new ATOM 1023 N THR A 64 -21.054 -5.727 -22.244 1.00 0.00 N ATOM 1024 CA THR A 64 -21.358 -6.609 -21.130 1.00 0.00 C ATOM 1025 C THR A 64 -22.346 -7.694 -21.563 1.00 0.00 C ATOM 1026 O THR A 64 -23.059 -7.531 -22.552 1.00 0.00 O ATOM 1027 CB THR A 64 -21.869 -5.749 -19.972 1.00 0.00 C ATOM 1028 OG1 THR A 64 -23.048 -5.138 -20.487 1.00 0.00 O ATOM 1029 CG2 THR A 64 -20.942 -4.571 -19.664 1.00 0.00 C ATOM 0 H THR A 64 -21.829 -5.135 -22.543 1.00 0.00 H new ATOM 0 HA THR A 64 -20.468 -7.140 -20.792 1.00 0.00 H new ATOM 0 HB THR A 64 -21.978 -6.368 -19.081 1.00 0.00 H new ATOM 0 HG1 THR A 64 -23.446 -4.563 -19.800 1.00 0.00 H new ATOM 0 HG21 THR A 64 -21.351 -3.993 -18.835 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.955 -4.946 -19.393 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.859 -3.933 -20.544 1.00 0.00 H new ATOM 1037 N LEU A 65 -22.357 -8.778 -20.801 1.00 0.00 N ATOM 1038 CA LEU A 65 -23.246 -9.890 -21.093 1.00 0.00 C ATOM 1039 C LEU A 65 -24.365 -9.930 -20.051 1.00 0.00 C ATOM 1040 O LEU A 65 -24.191 -9.456 -18.929 1.00 0.00 O ATOM 1041 CB LEU A 65 -22.455 -11.195 -21.196 1.00 0.00 C ATOM 1042 CG LEU A 65 -21.317 -11.211 -22.220 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -20.197 -12.156 -21.780 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -21.841 -11.554 -23.616 1.00 0.00 C ATOM 0 H LEU A 65 -21.764 -8.910 -19.981 1.00 0.00 H new ATOM 0 HA LEU A 65 -23.720 -9.754 -22.065 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.038 -11.422 -20.215 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -23.149 -11.999 -21.441 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.891 -10.209 -22.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.401 -12.149 -22.525 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.799 -11.826 -20.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.592 -13.167 -21.681 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.013 -11.559 -24.325 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.308 -12.539 -23.597 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -22.576 -10.809 -23.922 1.00 0.00 H new ATOM 1056 N ASP A 66 -25.490 -10.499 -20.459 1.00 0.00 N ATOM 1057 CA ASP A 66 -26.638 -10.607 -19.575 1.00 0.00 C ATOM 1058 C ASP A 66 -26.208 -11.276 -18.268 1.00 0.00 C ATOM 1059 O ASP A 66 -26.397 -10.717 -17.188 1.00 0.00 O ATOM 1060 CB ASP A 66 -27.739 -11.462 -20.204 1.00 0.00 C ATOM 1061 CG ASP A 66 -28.759 -10.688 -21.041 1.00 0.00 C ATOM 1062 OD1 ASP A 66 -29.703 -10.145 -20.427 1.00 0.00 O ATOM 1063 OD2 ASP A 66 -28.573 -10.658 -22.277 1.00 0.00 O ATOM 0 H ASP A 66 -25.631 -10.890 -21.390 1.00 0.00 H new ATOM 0 HA ASP A 66 -27.021 -9.602 -19.395 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -27.274 -12.220 -20.835 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -28.268 -11.989 -19.410 1.00 0.00 H new ATOM 1068 N ASN A 67 -25.638 -12.464 -18.408 1.00 0.00 N ATOM 1069 CA ASN A 67 -25.180 -13.216 -17.252 1.00 0.00 C ATOM 1070 C ASN A 67 -23.702 -13.569 -17.432 1.00 0.00 C ATOM 1071 O ASN A 67 -23.364 -14.721 -17.701 1.00 0.00 O ATOM 1072 CB ASN A 67 -25.963 -14.521 -17.098 1.00 0.00 C ATOM 1073 CG ASN A 67 -27.115 -14.355 -16.105 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -27.516 -13.256 -15.757 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -27.624 -15.504 -15.670 1.00 0.00 N ATOM 0 H ASN A 67 -25.483 -12.924 -19.305 1.00 0.00 H new ATOM 0 HA ASN A 67 -25.331 -12.599 -16.366 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -26.355 -14.831 -18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -25.295 -15.312 -16.757 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -28.397 -15.500 -15.005 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -27.241 -16.389 -16.002 1.00 0.00 H new ATOM 1082 N GLY A 68 -22.861 -12.557 -17.276 1.00 0.00 N ATOM 1083 CA GLY A 68 -21.428 -12.747 -17.418 1.00 0.00 C ATOM 1084 C GLY A 68 -20.656 -11.583 -16.793 1.00 0.00 C ATOM 1085 O GLY A 68 -20.614 -11.447 -15.571 1.00 0.00 O ATOM 0 H GLY A 68 -23.145 -11.603 -17.053 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -21.132 -13.682 -16.941 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -21.172 -12.833 -18.474 1.00 0.00 H new ATOM 1089 N GLY A 69 -20.065 -10.773 -17.659 1.00 0.00 N ATOM 1090 CA GLY A 69 -19.298 -9.626 -17.207 1.00 0.00 C ATOM 1091 C GLY A 69 -19.038 -8.652 -18.358 1.00 0.00 C ATOM 1092 O GLY A 69 -19.956 -7.981 -18.827 1.00 0.00 O ATOM 0 H GLY A 69 -20.102 -10.889 -18.672 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -19.837 -9.116 -16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.349 -9.961 -16.788 1.00 0.00 H new ATOM 1096 N PHE A 70 -17.783 -8.605 -18.780 1.00 0.00 N ATOM 1097 CA PHE A 70 -17.391 -7.724 -19.867 1.00 0.00 C ATOM 1098 C PHE A 70 -16.465 -8.444 -20.849 1.00 0.00 C ATOM 1099 O PHE A 70 -15.526 -9.124 -20.437 1.00 0.00 O ATOM 1100 CB PHE A 70 -16.638 -6.549 -19.241 1.00 0.00 C ATOM 1101 CG PHE A 70 -17.278 -6.011 -17.960 1.00 0.00 C ATOM 1102 CD1 PHE A 70 -17.295 -6.776 -16.835 1.00 0.00 C ATOM 1103 CD2 PHE A 70 -17.830 -4.768 -17.945 1.00 0.00 C ATOM 1104 CE1 PHE A 70 -17.889 -6.276 -15.646 1.00 0.00 C ATOM 1105 CE2 PHE A 70 -18.424 -4.269 -16.756 1.00 0.00 C ATOM 1106 CZ PHE A 70 -18.441 -5.033 -15.631 1.00 0.00 C ATOM 0 H PHE A 70 -17.024 -9.163 -18.389 1.00 0.00 H new ATOM 0 HA PHE A 70 -18.273 -7.395 -20.416 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -15.617 -6.861 -19.021 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -16.575 -5.741 -19.970 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -16.857 -7.763 -16.846 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -17.816 -4.160 -18.838 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -17.902 -6.883 -14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -18.863 -3.282 -16.745 1.00 0.00 H new ATOM 0 HZ PHE A 70 -18.892 -4.653 -14.726 1.00 0.00 H new ATOM 1116 N TYR A 71 -16.760 -8.269 -22.129 1.00 0.00 N ATOM 1117 CA TYR A 71 -15.965 -8.894 -23.172 1.00 0.00 C ATOM 1118 C TYR A 71 -15.684 -7.910 -24.310 1.00 0.00 C ATOM 1119 O TYR A 71 -16.509 -7.048 -24.608 1.00 0.00 O ATOM 1120 CB TYR A 71 -16.810 -10.050 -23.711 1.00 0.00 C ATOM 1121 CG TYR A 71 -18.047 -9.605 -24.494 1.00 0.00 C ATOM 1122 CD1 TYR A 71 -19.176 -9.185 -23.819 1.00 0.00 C ATOM 1123 CD2 TYR A 71 -18.035 -9.623 -25.874 1.00 0.00 C ATOM 1124 CE1 TYR A 71 -20.340 -8.766 -24.556 1.00 0.00 C ATOM 1125 CE2 TYR A 71 -19.199 -9.204 -26.610 1.00 0.00 C ATOM 1126 CZ TYR A 71 -20.294 -8.796 -25.915 1.00 0.00 C ATOM 1127 OH TYR A 71 -21.394 -8.400 -26.610 1.00 0.00 O ATOM 0 H TYR A 71 -17.539 -7.703 -22.467 1.00 0.00 H new ATOM 0 HA TYR A 71 -15.005 -9.227 -22.776 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -16.188 -10.671 -24.356 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -17.127 -10.675 -22.876 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -19.186 -9.171 -22.739 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -17.152 -9.952 -26.402 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -21.230 -8.435 -24.041 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -19.202 -9.214 -27.690 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.217 -8.473 -27.571 1.00 0.00 H new ATOM 1137 N ILE A 72 -14.516 -8.071 -24.914 1.00 0.00 N ATOM 1138 CA ILE A 72 -14.115 -7.208 -26.012 1.00 0.00 C ATOM 1139 C ILE A 72 -14.154 -8.002 -27.319 1.00 0.00 C ATOM 1140 O ILE A 72 -14.654 -7.514 -28.331 1.00 0.00 O ATOM 1141 CB ILE A 72 -12.756 -6.568 -25.721 1.00 0.00 C ATOM 1142 CG1 ILE A 72 -12.850 -5.592 -24.547 1.00 0.00 C ATOM 1143 CG2 ILE A 72 -12.185 -5.902 -26.975 1.00 0.00 C ATOM 1144 CD1 ILE A 72 -11.462 -5.097 -24.134 1.00 0.00 C ATOM 0 H ILE A 72 -13.834 -8.787 -24.664 1.00 0.00 H new ATOM 0 HA ILE A 72 -14.815 -6.379 -26.121 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.062 -7.356 -25.430 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -13.475 -4.743 -24.824 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -13.333 -6.081 -23.701 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.219 -5.455 -26.742 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.059 -6.649 -27.759 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -12.870 -5.127 -27.319 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -11.557 -4.405 -23.298 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.847 -5.946 -23.835 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.992 -4.588 -24.975 1.00 0.00 H new ATOM 1156 N SER A 73 -13.620 -9.213 -27.255 1.00 0.00 N ATOM 1157 CA SER A 73 -13.588 -10.079 -28.422 1.00 0.00 C ATOM 1158 C SER A 73 -14.477 -11.302 -28.190 1.00 0.00 C ATOM 1159 O SER A 73 -14.526 -11.838 -27.084 1.00 0.00 O ATOM 1160 CB SER A 73 -12.157 -10.516 -28.743 1.00 0.00 C ATOM 1161 OG SER A 73 -12.030 -10.983 -30.083 1.00 0.00 O ATOM 0 H SER A 73 -13.206 -9.615 -26.414 1.00 0.00 H new ATOM 0 HA SER A 73 -13.968 -9.518 -29.276 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.478 -9.678 -28.585 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.856 -11.305 -28.054 1.00 0.00 H new ATOM 0 HG SER A 73 -11.102 -11.251 -30.250 1.00 0.00 H new ATOM 1167 N PRO A 74 -15.178 -11.717 -29.279 1.00 0.00 N ATOM 1168 CA PRO A 74 -16.063 -12.867 -29.206 1.00 0.00 C ATOM 1169 C PRO A 74 -15.266 -14.173 -29.177 1.00 0.00 C ATOM 1170 O PRO A 74 -15.452 -15.037 -30.033 1.00 0.00 O ATOM 1171 CB PRO A 74 -16.964 -12.748 -30.424 1.00 0.00 C ATOM 1172 CG PRO A 74 -16.253 -11.803 -31.378 1.00 0.00 C ATOM 1173 CD PRO A 74 -15.145 -11.106 -30.605 1.00 0.00 C ATOM 0 HA PRO A 74 -16.654 -12.885 -28.290 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -17.125 -13.722 -30.887 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -17.944 -12.360 -30.148 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.840 -12.353 -32.224 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.953 -11.073 -31.784 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.177 -11.251 -31.084 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.316 -10.031 -30.550 1.00 0.00 H new ATOM 1181 N ARG A 75 -14.394 -14.275 -28.185 1.00 0.00 N ATOM 1182 CA ARG A 75 -13.568 -15.460 -28.033 1.00 0.00 C ATOM 1183 C ARG A 75 -13.495 -15.872 -26.562 1.00 0.00 C ATOM 1184 O ARG A 75 -13.927 -16.965 -26.197 1.00 0.00 O ATOM 1185 CB ARG A 75 -12.151 -15.215 -28.558 1.00 0.00 C ATOM 1186 CG ARG A 75 -12.181 -14.717 -30.004 1.00 0.00 C ATOM 1187 CD ARG A 75 -12.244 -15.888 -30.986 1.00 0.00 C ATOM 1188 NE ARG A 75 -11.118 -15.808 -31.943 1.00 0.00 N ATOM 1189 CZ ARG A 75 -10.659 -16.848 -32.652 1.00 0.00 C ATOM 1190 NH1 ARG A 75 -11.227 -18.054 -32.516 1.00 0.00 N ATOM 1191 NH2 ARG A 75 -9.633 -16.682 -33.497 1.00 0.00 N ATOM 0 H ARG A 75 -14.242 -13.556 -27.478 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.026 -16.260 -28.615 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.647 -14.482 -27.928 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.573 -16.137 -28.499 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.044 -14.068 -30.151 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.293 -14.117 -30.204 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.203 -16.832 -30.442 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.192 -15.871 -31.525 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.663 -14.904 -32.071 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.009 -18.180 -31.873 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.878 -18.846 -33.056 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.201 -15.764 -33.601 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.284 -17.474 -34.037 1.00 0.00 H new ATOM 1205 N SER A 76 -12.946 -14.976 -25.756 1.00 0.00 N ATOM 1206 CA SER A 76 -12.811 -15.233 -24.332 1.00 0.00 C ATOM 1207 C SER A 76 -13.310 -14.027 -23.533 1.00 0.00 C ATOM 1208 O SER A 76 -12.654 -12.988 -23.496 1.00 0.00 O ATOM 1209 CB SER A 76 -11.360 -15.549 -23.964 1.00 0.00 C ATOM 1210 OG SER A 76 -10.930 -16.794 -24.507 1.00 0.00 O ATOM 0 H SER A 76 -12.589 -14.071 -26.062 1.00 0.00 H new ATOM 0 HA SER A 76 -13.418 -16.103 -24.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.712 -14.752 -24.328 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.258 -15.572 -22.879 1.00 0.00 H new ATOM 0 HG SER A 76 -9.998 -16.958 -24.251 1.00 0.00 H new ATOM 1216 N THR A 77 -14.468 -14.206 -22.914 1.00 0.00 N ATOM 1217 CA THR A 77 -15.063 -13.146 -22.118 1.00 0.00 C ATOM 1218 C THR A 77 -14.529 -13.192 -20.685 1.00 0.00 C ATOM 1219 O THR A 77 -13.866 -14.152 -20.296 1.00 0.00 O ATOM 1220 CB THR A 77 -16.584 -13.287 -22.205 1.00 0.00 C ATOM 1221 OG1 THR A 77 -16.847 -14.569 -21.641 1.00 0.00 O ATOM 1222 CG2 THR A 77 -17.080 -13.405 -23.647 1.00 0.00 C ATOM 0 H THR A 77 -15.010 -15.069 -22.948 1.00 0.00 H new ATOM 0 HA THR A 77 -14.791 -12.163 -22.501 1.00 0.00 H new ATOM 0 HB THR A 77 -17.056 -12.427 -21.729 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.812 -14.741 -21.656 1.00 0.00 H new ATOM 0 HG21 THR A 77 -18.166 -13.503 -23.652 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.794 -12.513 -24.204 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.635 -14.283 -24.114 1.00 0.00 H new ATOM 1230 N PHE A 78 -14.839 -12.142 -19.938 1.00 0.00 N ATOM 1231 CA PHE A 78 -14.399 -12.050 -18.557 1.00 0.00 C ATOM 1232 C PHE A 78 -15.536 -11.576 -17.649 1.00 0.00 C ATOM 1233 O PHE A 78 -16.391 -10.799 -18.073 1.00 0.00 O ATOM 1234 CB PHE A 78 -13.267 -11.021 -18.515 1.00 0.00 C ATOM 1235 CG PHE A 78 -12.123 -11.316 -19.486 1.00 0.00 C ATOM 1236 CD1 PHE A 78 -12.275 -11.062 -20.814 1.00 0.00 C ATOM 1237 CD2 PHE A 78 -10.953 -11.831 -19.022 1.00 0.00 C ATOM 1238 CE1 PHE A 78 -11.212 -11.336 -21.715 1.00 0.00 C ATOM 1239 CE2 PHE A 78 -9.890 -12.105 -19.924 1.00 0.00 C ATOM 1240 CZ PHE A 78 -10.042 -11.851 -21.251 1.00 0.00 C ATOM 0 H PHE A 78 -15.390 -11.348 -20.264 1.00 0.00 H new ATOM 0 HA PHE A 78 -14.073 -13.029 -18.205 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.676 -10.036 -18.740 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.868 -10.976 -17.502 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.204 -10.652 -21.183 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.832 -12.032 -17.968 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.333 -11.135 -22.769 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.961 -12.515 -19.556 1.00 0.00 H new ATOM 0 HZ PHE A 78 -9.234 -12.058 -21.937 1.00 0.00 H new ATOM 1250 N SER A 79 -15.510 -12.064 -16.418 1.00 0.00 N ATOM 1251 CA SER A 79 -16.529 -11.700 -15.447 1.00 0.00 C ATOM 1252 C SER A 79 -16.148 -10.390 -14.755 1.00 0.00 C ATOM 1253 O SER A 79 -17.012 -9.679 -14.246 1.00 0.00 O ATOM 1254 CB SER A 79 -16.724 -12.810 -14.412 1.00 0.00 C ATOM 1255 OG SER A 79 -17.493 -13.893 -14.929 1.00 0.00 O ATOM 0 H SER A 79 -14.800 -12.708 -16.070 1.00 0.00 H new ATOM 0 HA SER A 79 -17.472 -11.563 -15.976 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.751 -13.179 -14.088 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.219 -12.401 -13.531 1.00 0.00 H new ATOM 0 HG SER A 79 -17.594 -14.582 -14.239 1.00 0.00 H new ATOM 1261 N THR A 80 -14.852 -10.111 -14.758 1.00 0.00 N ATOM 1262 CA THR A 80 -14.346 -8.899 -14.137 1.00 0.00 C ATOM 1263 C THR A 80 -13.291 -8.243 -15.030 1.00 0.00 C ATOM 1264 O THR A 80 -12.553 -8.931 -15.733 1.00 0.00 O ATOM 1265 CB THR A 80 -13.824 -9.263 -12.746 1.00 0.00 C ATOM 1266 OG1 THR A 80 -12.804 -10.225 -12.999 1.00 0.00 O ATOM 1267 CG2 THR A 80 -14.857 -10.026 -11.914 1.00 0.00 C ATOM 0 H THR A 80 -14.138 -10.704 -15.181 1.00 0.00 H new ATOM 0 HA THR A 80 -15.134 -8.156 -14.019 1.00 0.00 H new ATOM 0 HB THR A 80 -13.532 -8.355 -12.219 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.212 -11.105 -13.141 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.436 -10.260 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 80 -15.748 -9.411 -11.788 1.00 0.00 H new ATOM 0 HG23 THR A 80 -15.124 -10.951 -12.425 1.00 0.00 H new ATOM 1275 N LEU A 81 -13.252 -6.920 -14.971 1.00 0.00 N ATOM 1276 CA LEU A 81 -12.300 -6.163 -15.765 1.00 0.00 C ATOM 1277 C LEU A 81 -10.901 -6.324 -15.166 1.00 0.00 C ATOM 1278 O LEU A 81 -9.901 -6.117 -15.851 1.00 0.00 O ATOM 1279 CB LEU A 81 -12.748 -4.706 -15.896 1.00 0.00 C ATOM 1280 CG LEU A 81 -13.731 -4.406 -17.030 1.00 0.00 C ATOM 1281 CD1 LEU A 81 -14.478 -3.096 -16.776 1.00 0.00 C ATOM 1282 CD2 LEU A 81 -13.021 -4.408 -18.385 1.00 0.00 C ATOM 0 H LEU A 81 -13.865 -6.353 -14.385 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.259 -6.552 -16.782 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.206 -4.401 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.863 -4.086 -16.035 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.476 -5.201 -17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.170 -2.907 -17.597 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.035 -3.170 -15.842 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.763 -2.276 -16.708 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.742 -4.192 -19.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.241 -3.647 -18.388 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.574 -5.386 -18.560 1.00 0.00 H new ATOM 1294 N GLN A 82 -10.876 -6.693 -13.894 1.00 0.00 N ATOM 1295 CA GLN A 82 -9.617 -6.885 -13.195 1.00 0.00 C ATOM 1296 C GLN A 82 -8.905 -8.135 -13.716 1.00 0.00 C ATOM 1297 O GLN A 82 -7.677 -8.202 -13.710 1.00 0.00 O ATOM 1298 CB GLN A 82 -9.836 -6.968 -11.683 1.00 0.00 C ATOM 1299 CG GLN A 82 -8.520 -6.775 -10.927 1.00 0.00 C ATOM 1300 CD GLN A 82 -8.644 -5.659 -9.887 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -9.715 -5.137 -9.623 1.00 0.00 O ATOM 1302 NE2 GLN A 82 -7.492 -5.325 -9.313 1.00 0.00 N ATOM 0 H GLN A 82 -11.708 -6.864 -13.329 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.981 -6.021 -13.390 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.552 -6.207 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.268 -7.935 -11.427 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.239 -7.706 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.724 -6.534 -11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.631 -5.803 -9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.469 -4.591 -8.605 1.00 0.00 H new ATOM 1311 N GLU A 83 -9.708 -9.094 -14.153 1.00 0.00 N ATOM 1312 CA GLU A 83 -9.170 -10.339 -14.676 1.00 0.00 C ATOM 1313 C GLU A 83 -8.827 -10.187 -16.160 1.00 0.00 C ATOM 1314 O GLU A 83 -7.981 -10.911 -16.682 1.00 0.00 O ATOM 1315 CB GLU A 83 -10.148 -11.494 -14.456 1.00 0.00 C ATOM 1316 CG GLU A 83 -10.414 -11.711 -12.965 1.00 0.00 C ATOM 1317 CD GLU A 83 -9.387 -12.671 -12.359 1.00 0.00 C ATOM 1318 OE1 GLU A 83 -8.340 -12.165 -11.899 1.00 0.00 O ATOM 1319 OE2 GLU A 83 -9.672 -13.887 -12.369 1.00 0.00 O ATOM 0 H GLU A 83 -10.726 -9.034 -14.156 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.254 -10.573 -14.133 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.086 -11.284 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.743 -12.407 -14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.376 -10.755 -12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.418 -12.111 -12.825 1.00 0.00 H new ATOM 1326 N LEU A 84 -9.501 -9.240 -16.796 1.00 0.00 N ATOM 1327 CA LEU A 84 -9.277 -8.984 -18.209 1.00 0.00 C ATOM 1328 C LEU A 84 -7.988 -8.178 -18.379 1.00 0.00 C ATOM 1329 O LEU A 84 -7.274 -8.345 -19.367 1.00 0.00 O ATOM 1330 CB LEU A 84 -10.505 -8.318 -18.833 1.00 0.00 C ATOM 1331 CG LEU A 84 -10.282 -7.627 -20.180 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -11.552 -7.662 -21.031 1.00 0.00 C ATOM 1333 CD2 LEU A 84 -9.761 -6.202 -19.985 1.00 0.00 C ATOM 0 H LEU A 84 -10.202 -8.641 -16.359 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.141 -9.921 -18.749 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.279 -9.075 -18.959 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.891 -7.581 -18.129 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.515 -8.178 -20.724 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.366 -7.164 -21.983 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.840 -8.698 -21.213 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.357 -7.149 -20.505 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.611 -5.733 -20.958 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.486 -5.625 -19.412 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.814 -6.231 -19.446 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.729 -7.323 -17.401 1.00 0.00 N ATOM 1346 CA VAL A 85 -6.538 -6.491 -17.430 1.00 0.00 C ATOM 1347 C VAL A 85 -5.308 -7.358 -17.153 1.00 0.00 C ATOM 1348 O VAL A 85 -4.351 -7.349 -17.925 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.686 -5.331 -16.444 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -5.320 -4.748 -16.075 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -7.610 -4.248 -17.005 1.00 0.00 C ATOM 0 H VAL A 85 -8.324 -7.188 -16.583 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.407 -6.047 -18.417 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.142 -5.721 -15.534 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.453 -3.925 -15.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.706 -5.522 -15.614 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.826 -4.381 -16.975 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.698 -3.435 -16.284 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.196 -3.863 -17.937 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.596 -4.673 -17.194 1.00 0.00 H new ATOM 1361 N ASP A 86 -5.375 -8.088 -16.049 1.00 0.00 N ATOM 1362 CA ASP A 86 -4.279 -8.959 -15.661 1.00 0.00 C ATOM 1363 C ASP A 86 -4.026 -9.980 -16.772 1.00 0.00 C ATOM 1364 O ASP A 86 -2.892 -10.407 -16.981 1.00 0.00 O ATOM 1365 CB ASP A 86 -4.613 -9.728 -14.381 1.00 0.00 C ATOM 1366 CG ASP A 86 -4.218 -9.023 -13.082 1.00 0.00 C ATOM 1367 OD1 ASP A 86 -4.202 -7.773 -13.096 1.00 0.00 O ATOM 1368 OD2 ASP A 86 -3.941 -9.750 -12.103 1.00 0.00 O ATOM 0 H ASP A 86 -6.171 -8.094 -15.411 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.400 -8.338 -15.490 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.686 -9.921 -14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.115 -10.697 -14.417 1.00 0.00 H new ATOM 1373 N HIS A 87 -5.102 -10.341 -17.457 1.00 0.00 N ATOM 1374 CA HIS A 87 -5.010 -11.303 -18.542 1.00 0.00 C ATOM 1375 C HIS A 87 -4.273 -10.674 -19.725 1.00 0.00 C ATOM 1376 O HIS A 87 -3.440 -11.321 -20.358 1.00 0.00 O ATOM 1377 CB HIS A 87 -6.397 -11.829 -18.919 1.00 0.00 C ATOM 1378 CG HIS A 87 -6.382 -12.864 -20.019 1.00 0.00 C ATOM 1379 ND1 HIS A 87 -6.477 -14.222 -19.771 1.00 0.00 N ATOM 1380 CD2 HIS A 87 -6.284 -12.725 -21.372 1.00 0.00 C ATOM 1381 CE1 HIS A 87 -6.436 -14.863 -20.930 1.00 0.00 C ATOM 1382 NE2 HIS A 87 -6.316 -13.933 -21.921 1.00 0.00 N ATOM 0 H HIS A 87 -6.041 -9.984 -17.281 1.00 0.00 H new ATOM 0 HA HIS A 87 -4.432 -12.168 -18.218 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.864 -12.261 -18.034 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.020 -10.991 -19.231 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.564 -14.656 -18.852 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -6.195 -11.791 -21.906 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.488 -15.933 -21.066 1.00 0.00 H new ATOM 1390 N TYR A 88 -4.604 -9.418 -19.988 1.00 0.00 N ATOM 1391 CA TYR A 88 -3.984 -8.694 -21.084 1.00 0.00 C ATOM 1392 C TYR A 88 -2.561 -8.263 -20.721 1.00 0.00 C ATOM 1393 O TYR A 88 -1.745 -7.998 -21.602 1.00 0.00 O ATOM 1394 CB TYR A 88 -4.841 -7.446 -21.305 1.00 0.00 C ATOM 1395 CG TYR A 88 -5.983 -7.645 -22.304 1.00 0.00 C ATOM 1396 CD1 TYR A 88 -5.763 -8.345 -23.473 1.00 0.00 C ATOM 1397 CD2 TYR A 88 -7.233 -7.124 -22.037 1.00 0.00 C ATOM 1398 CE1 TYR A 88 -6.838 -8.532 -24.413 1.00 0.00 C ATOM 1399 CE2 TYR A 88 -8.307 -7.310 -22.977 1.00 0.00 C ATOM 1400 CZ TYR A 88 -8.057 -8.005 -24.119 1.00 0.00 C ATOM 1401 OH TYR A 88 -9.071 -8.182 -25.007 1.00 0.00 O ATOM 0 H TYR A 88 -5.294 -8.883 -19.460 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.924 -9.322 -21.973 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.259 -7.131 -20.349 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.202 -6.636 -21.656 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.785 -8.752 -23.683 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.405 -6.576 -21.122 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.680 -9.079 -25.331 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.289 -6.907 -22.780 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.883 -7.753 -24.666 1.00 0.00 H new ATOM 1411 N LYS A 89 -2.309 -8.205 -19.422 1.00 0.00 N ATOM 1412 CA LYS A 89 -0.999 -7.810 -18.931 1.00 0.00 C ATOM 1413 C LYS A 89 -0.019 -8.971 -19.116 1.00 0.00 C ATOM 1414 O LYS A 89 1.182 -8.755 -19.271 1.00 0.00 O ATOM 1415 CB LYS A 89 -1.096 -7.311 -17.488 1.00 0.00 C ATOM 1416 CG LYS A 89 -1.705 -5.909 -17.432 1.00 0.00 C ATOM 1417 CD LYS A 89 -1.009 -5.050 -16.375 1.00 0.00 C ATOM 1418 CE LYS A 89 -1.816 -5.020 -15.075 1.00 0.00 C ATOM 1419 NZ LYS A 89 -1.064 -5.677 -13.983 1.00 0.00 N ATOM 0 H LYS A 89 -2.989 -8.425 -18.694 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.612 -6.970 -19.509 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.705 -7.999 -16.902 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.104 -7.299 -17.036 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.618 -5.432 -18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.769 -5.980 -17.205 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.012 -5.445 -16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.882 -4.035 -16.752 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.039 -3.988 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.771 -5.524 -15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.626 -5.648 -13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.873 -6.667 -14.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.164 -5.179 -13.833 1.00 0.00 H new ATOM 1433 N LYS A 90 -0.568 -10.176 -19.094 1.00 0.00 N ATOM 1434 CA LYS A 90 0.243 -11.371 -19.257 1.00 0.00 C ATOM 1435 C LYS A 90 0.508 -11.603 -20.746 1.00 0.00 C ATOM 1436 O LYS A 90 1.544 -12.150 -21.118 1.00 0.00 O ATOM 1437 CB LYS A 90 -0.412 -12.563 -18.556 1.00 0.00 C ATOM 1438 CG LYS A 90 -0.110 -12.550 -17.056 1.00 0.00 C ATOM 1439 CD LYS A 90 -0.127 -13.968 -16.481 1.00 0.00 C ATOM 1440 CE LYS A 90 0.208 -13.959 -14.989 1.00 0.00 C ATOM 1441 NZ LYS A 90 -0.573 -14.994 -14.275 1.00 0.00 N ATOM 0 H LYS A 90 -1.565 -10.351 -18.966 1.00 0.00 H new ATOM 0 HA LYS A 90 1.213 -11.242 -18.776 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.490 -12.535 -18.714 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.050 -13.492 -18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.865 -12.095 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.846 -11.935 -16.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.110 -14.414 -16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.592 -14.589 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.274 -14.138 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.008 -12.977 -14.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.333 -14.974 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.589 -14.806 -14.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.347 -15.931 -14.666 1.00 0.00 H new ATOM 1455 N GLY A 91 -0.448 -11.174 -21.558 1.00 0.00 N ATOM 1456 CA GLY A 91 -0.331 -11.328 -22.998 1.00 0.00 C ATOM 1457 C GLY A 91 -1.513 -10.674 -23.717 1.00 0.00 C ATOM 1458 O GLY A 91 -2.633 -10.679 -23.209 1.00 0.00 O ATOM 0 H GLY A 91 -1.306 -10.720 -21.246 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.601 -10.879 -23.341 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.287 -12.387 -23.252 1.00 0.00 H new ATOM 1462 N ASN A 92 -1.222 -10.127 -24.888 1.00 0.00 N ATOM 1463 CA ASN A 92 -2.246 -9.470 -25.682 1.00 0.00 C ATOM 1464 C ASN A 92 -3.449 -10.404 -25.828 1.00 0.00 C ATOM 1465 O ASN A 92 -4.583 -10.008 -25.564 1.00 0.00 O ATOM 1466 CB ASN A 92 -1.730 -9.142 -27.084 1.00 0.00 C ATOM 1467 CG ASN A 92 -0.793 -10.238 -27.595 1.00 0.00 C ATOM 1468 OD1 ASN A 92 0.163 -10.627 -26.943 1.00 0.00 O ATOM 1469 ND2 ASN A 92 -1.119 -10.714 -28.793 1.00 0.00 N ATOM 0 H ASN A 92 -0.292 -10.125 -25.306 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.525 -8.546 -25.175 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.571 -9.030 -27.768 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.204 -8.188 -27.067 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.556 -11.449 -29.220 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.932 -10.344 -29.285 1.00 0.00 H new ATOM 1476 N ASP A 93 -3.161 -11.627 -26.249 1.00 0.00 N ATOM 1477 CA ASP A 93 -4.205 -12.621 -26.433 1.00 0.00 C ATOM 1478 C ASP A 93 -5.433 -11.955 -27.057 1.00 0.00 C ATOM 1479 O ASP A 93 -6.539 -12.066 -26.530 1.00 0.00 O ATOM 1480 CB ASP A 93 -4.627 -13.231 -25.095 1.00 0.00 C ATOM 1481 CG ASP A 93 -5.311 -14.596 -25.194 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -6.337 -14.667 -25.905 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.793 -15.538 -24.556 1.00 0.00 O ATOM 0 H ASP A 93 -2.219 -11.952 -26.468 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.813 -13.406 -27.079 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.744 -13.329 -24.463 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.303 -12.538 -24.594 1.00 0.00 H new ATOM 1488 N GLY A 94 -5.197 -11.276 -28.170 1.00 0.00 N ATOM 1489 CA GLY A 94 -6.270 -10.592 -28.871 1.00 0.00 C ATOM 1490 C GLY A 94 -5.824 -9.204 -29.335 1.00 0.00 C ATOM 1491 O GLY A 94 -5.997 -8.849 -30.500 1.00 0.00 O ATOM 0 H GLY A 94 -4.278 -11.185 -28.604 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.583 -11.184 -29.731 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.136 -10.500 -28.216 1.00 0.00 H new ATOM 1495 N LEU A 95 -5.259 -8.455 -28.399 1.00 0.00 N ATOM 1496 CA LEU A 95 -4.787 -7.114 -28.697 1.00 0.00 C ATOM 1497 C LEU A 95 -3.595 -7.198 -29.652 1.00 0.00 C ATOM 1498 O LEU A 95 -3.007 -8.264 -29.824 1.00 0.00 O ATOM 1499 CB LEU A 95 -4.487 -6.352 -27.404 1.00 0.00 C ATOM 1500 CG LEU A 95 -5.673 -6.140 -26.461 1.00 0.00 C ATOM 1501 CD1 LEU A 95 -5.238 -5.403 -25.192 1.00 0.00 C ATOM 1502 CD2 LEU A 95 -6.821 -5.423 -27.175 1.00 0.00 C ATOM 0 H LEU A 95 -5.118 -8.752 -27.433 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.563 -6.541 -29.205 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.708 -6.888 -26.862 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.078 -5.376 -27.667 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.046 -7.118 -26.155 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.099 -5.265 -24.538 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.479 -5.989 -24.673 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.826 -4.430 -25.460 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.651 -5.285 -26.482 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.479 -4.451 -27.529 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.152 -6.022 -28.023 1.00 0.00 H new ATOM 1514 N CYS A 96 -3.274 -6.059 -30.248 1.00 0.00 N ATOM 1515 CA CYS A 96 -2.162 -5.990 -31.181 1.00 0.00 C ATOM 1516 C CYS A 96 -0.863 -6.186 -30.397 1.00 0.00 C ATOM 1517 O CYS A 96 0.035 -6.897 -30.845 1.00 0.00 O ATOM 1518 CB CYS A 96 -2.162 -4.676 -31.965 1.00 0.00 C ATOM 1519 SG CYS A 96 -1.725 -3.286 -30.858 1.00 0.00 S ATOM 0 H CYS A 96 -3.764 -5.177 -30.103 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.259 -6.781 -31.925 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.450 -4.734 -32.788 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -3.144 -4.506 -32.405 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.906 -2.484 -31.471 1.00 0.00 H new ATOM 1525 N GLN A 97 -0.806 -5.544 -29.239 1.00 0.00 N ATOM 1526 CA GLN A 97 0.368 -5.639 -28.388 1.00 0.00 C ATOM 1527 C GLN A 97 -0.049 -5.781 -26.923 1.00 0.00 C ATOM 1528 O GLN A 97 -0.940 -5.073 -26.456 1.00 0.00 O ATOM 1529 CB GLN A 97 1.285 -4.430 -28.583 1.00 0.00 C ATOM 1530 CG GLN A 97 2.037 -4.520 -29.912 1.00 0.00 C ATOM 1531 CD GLN A 97 1.617 -3.392 -30.857 1.00 0.00 C ATOM 1532 OE1 GLN A 97 1.153 -3.614 -31.963 1.00 0.00 O ATOM 1533 NE2 GLN A 97 1.804 -2.172 -30.360 1.00 0.00 N ATOM 0 H GLN A 97 -1.554 -4.956 -28.870 1.00 0.00 H new ATOM 0 HA GLN A 97 0.929 -6.529 -28.673 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.695 -3.514 -28.556 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.998 -4.374 -27.761 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.111 -4.467 -29.731 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.840 -5.484 -30.381 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.197 -2.057 -29.426 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.554 -1.352 -30.913 1.00 0.00 H new ATOM 1542 N LYS A 98 0.615 -6.701 -26.239 1.00 0.00 N ATOM 1543 CA LYS A 98 0.325 -6.945 -24.836 1.00 0.00 C ATOM 1544 C LYS A 98 0.341 -5.617 -24.078 1.00 0.00 C ATOM 1545 O LYS A 98 0.816 -4.608 -24.596 1.00 0.00 O ATOM 1546 CB LYS A 98 1.284 -7.991 -24.265 1.00 0.00 C ATOM 1547 CG LYS A 98 2.720 -7.464 -24.243 1.00 0.00 C ATOM 1548 CD LYS A 98 3.559 -8.199 -23.195 1.00 0.00 C ATOM 1549 CE LYS A 98 4.927 -8.585 -23.760 1.00 0.00 C ATOM 1550 NZ LYS A 98 5.112 -10.053 -23.713 1.00 0.00 N ATOM 0 H LYS A 98 1.353 -7.287 -26.630 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.674 -7.366 -24.721 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.976 -8.259 -23.254 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.236 -8.900 -24.865 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.172 -7.588 -25.227 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.716 -6.396 -24.026 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.690 -7.565 -22.318 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.032 -9.094 -22.865 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.014 -8.234 -24.788 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.715 -8.095 -23.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.046 -10.298 -24.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.049 -10.379 -22.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.371 -10.515 -24.278 1.00 0.00 H new ATOM 1564 N LEU A 99 -0.185 -5.660 -22.862 1.00 0.00 N ATOM 1565 CA LEU A 99 -0.237 -4.472 -22.027 1.00 0.00 C ATOM 1566 C LEU A 99 1.093 -4.315 -21.287 1.00 0.00 C ATOM 1567 O LEU A 99 1.631 -5.286 -20.757 1.00 0.00 O ATOM 1568 CB LEU A 99 -1.454 -4.521 -21.101 1.00 0.00 C ATOM 1569 CG LEU A 99 -2.806 -4.227 -21.754 1.00 0.00 C ATOM 1570 CD1 LEU A 99 -3.891 -4.017 -20.697 1.00 0.00 C ATOM 1571 CD2 LEU A 99 -2.705 -3.041 -22.716 1.00 0.00 C ATOM 0 H LEU A 99 -0.579 -6.499 -22.436 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.368 -3.581 -22.641 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.500 -5.511 -20.646 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.300 -3.806 -20.293 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.096 -5.096 -22.345 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.842 -3.810 -21.188 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.985 -4.916 -20.089 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.620 -3.175 -20.060 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.680 -2.854 -23.166 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.382 -2.155 -22.169 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.981 -3.268 -23.499 1.00 0.00 H new ATOM 1583 N SER A 100 1.585 -3.084 -21.275 1.00 0.00 N ATOM 1584 CA SER A 100 2.842 -2.788 -20.609 1.00 0.00 C ATOM 1585 C SER A 100 2.574 -2.236 -19.208 1.00 0.00 C ATOM 1586 O SER A 100 2.695 -2.957 -18.219 1.00 0.00 O ATOM 1587 CB SER A 100 3.674 -1.794 -21.421 1.00 0.00 C ATOM 1588 OG SER A 100 3.033 -0.526 -21.533 1.00 0.00 O ATOM 0 H SER A 100 1.136 -2.281 -21.716 1.00 0.00 H new ATOM 0 HA SER A 100 3.411 -3.714 -20.525 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.649 -1.667 -20.950 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.852 -2.199 -22.417 1.00 0.00 H new ATOM 0 HG SER A 100 3.597 0.080 -22.057 1.00 0.00 H new ATOM 1594 N VAL A 101 2.214 -0.961 -19.167 1.00 0.00 N ATOM 1595 CA VAL A 101 1.928 -0.304 -17.904 1.00 0.00 C ATOM 1596 C VAL A 101 0.687 0.577 -18.061 1.00 0.00 C ATOM 1597 O VAL A 101 0.385 1.039 -19.160 1.00 0.00 O ATOM 1598 CB VAL A 101 3.156 0.474 -17.428 1.00 0.00 C ATOM 1599 CG1 VAL A 101 4.316 -0.473 -17.112 1.00 0.00 C ATOM 1600 CG2 VAL A 101 3.572 1.525 -18.459 1.00 0.00 C ATOM 0 H VAL A 101 2.114 -0.366 -19.989 1.00 0.00 H new ATOM 0 HA VAL A 101 1.708 -1.042 -17.132 1.00 0.00 H new ATOM 0 HB VAL A 101 2.888 0.994 -16.508 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.177 0.105 -16.776 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.016 -1.167 -16.327 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.583 -1.033 -18.008 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.447 2.064 -18.096 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.813 1.034 -19.402 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.752 2.227 -18.614 1.00 0.00 H new ATOM 1610 N PRO A 102 -0.017 0.788 -16.917 1.00 0.00 N ATOM 1611 CA PRO A 102 -1.219 1.606 -16.918 1.00 0.00 C ATOM 1612 C PRO A 102 -0.871 3.092 -17.019 1.00 0.00 C ATOM 1613 O PRO A 102 0.161 3.528 -16.511 1.00 0.00 O ATOM 1614 CB PRO A 102 -1.937 1.251 -15.626 1.00 0.00 C ATOM 1615 CG PRO A 102 -0.892 0.601 -14.733 1.00 0.00 C ATOM 1616 CD PRO A 102 0.310 0.257 -15.597 1.00 0.00 C ATOM 0 HA PRO A 102 -1.858 1.413 -17.780 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.355 2.140 -15.154 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.767 0.570 -15.815 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.603 1.278 -13.929 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.295 -0.297 -14.265 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.222 0.707 -15.204 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.476 -0.820 -15.633 1.00 0.00 H new ATOM 1624 N CYS A 103 -1.752 3.829 -17.680 1.00 0.00 N ATOM 1625 CA CYS A 103 -1.550 5.258 -17.855 1.00 0.00 C ATOM 1626 C CYS A 103 -1.075 5.842 -16.523 1.00 0.00 C ATOM 1627 O CYS A 103 -1.345 5.281 -15.463 1.00 0.00 O ATOM 1628 CB CYS A 103 -2.818 5.950 -18.361 1.00 0.00 C ATOM 1629 SG CYS A 103 -2.381 7.508 -19.216 1.00 0.00 S ATOM 0 H CYS A 103 -2.607 3.464 -18.101 1.00 0.00 H new ATOM 0 HA CYS A 103 -0.791 5.430 -18.618 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -3.355 5.290 -19.042 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.486 6.159 -17.526 1.00 0.00 H new ATOM 0 HG CYS A 103 -3.063 8.490 -18.704 1.00 0.00 H new ATOM 1635 N MET A 104 -0.374 6.962 -16.622 1.00 0.00 N ATOM 1636 CA MET A 104 0.142 7.629 -15.439 1.00 0.00 C ATOM 1637 C MET A 104 -0.787 8.762 -14.998 1.00 0.00 C ATOM 1638 O MET A 104 -1.647 9.197 -15.763 1.00 0.00 O ATOM 1639 CB MET A 104 1.532 8.196 -15.737 1.00 0.00 C ATOM 1640 CG MET A 104 2.520 7.077 -16.070 1.00 0.00 C ATOM 1641 SD MET A 104 3.190 6.385 -14.567 1.00 0.00 S ATOM 1642 CE MET A 104 1.891 5.235 -14.149 1.00 0.00 C ATOM 0 H MET A 104 -0.151 7.424 -17.504 1.00 0.00 H new ATOM 0 HA MET A 104 0.203 6.899 -14.632 1.00 0.00 H new ATOM 0 HB2 MET A 104 1.473 8.894 -16.572 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.891 8.759 -14.876 1.00 0.00 H new ATOM 0 HG2 MET A 104 2.020 6.299 -16.647 1.00 0.00 H new ATOM 0 HG3 MET A 104 3.326 7.466 -16.692 1.00 0.00 H new ATOM 0 HE1 MET A 104 1.274 5.656 -13.355 1.00 0.00 H new ATOM 0 HE2 MET A 104 1.274 5.048 -15.028 1.00 0.00 H new ATOM 0 HE3 MET A 104 2.331 4.298 -13.808 1.00 0.00 H new ATOM 1652 N SER A 105 -0.584 9.206 -13.767 1.00 0.00 N ATOM 1653 CA SER A 105 -1.393 10.280 -13.215 1.00 0.00 C ATOM 1654 C SER A 105 -0.799 10.753 -11.887 1.00 0.00 C ATOM 1655 O SER A 105 -0.998 10.119 -10.852 1.00 0.00 O ATOM 1656 CB SER A 105 -2.843 9.831 -13.018 1.00 0.00 C ATOM 1657 OG SER A 105 -3.765 10.720 -13.642 1.00 0.00 O ATOM 0 H SER A 105 0.129 8.842 -13.135 1.00 0.00 H new ATOM 0 HA SER A 105 -1.390 11.109 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.971 8.829 -13.427 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.062 9.770 -11.952 1.00 0.00 H new ATOM 0 HG SER A 105 -4.679 10.399 -13.496 1.00 0.00 H new ATOM 1663 N SER A 106 -0.082 11.865 -11.960 1.00 0.00 N ATOM 1664 CA SER A 106 0.543 12.431 -10.776 1.00 0.00 C ATOM 1665 C SER A 106 -0.518 13.083 -9.886 1.00 0.00 C ATOM 1666 O SER A 106 -1.505 13.622 -10.384 1.00 0.00 O ATOM 1667 CB SER A 106 1.618 13.451 -11.155 1.00 0.00 C ATOM 1668 OG SER A 106 1.059 14.626 -11.736 1.00 0.00 O ATOM 0 H SER A 106 0.080 12.389 -12.820 1.00 0.00 H new ATOM 0 HA SER A 106 1.025 11.624 -10.224 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.189 13.722 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.317 12.997 -11.857 1.00 0.00 H new ATOM 0 HG SER A 106 1.778 15.253 -11.962 1.00 0.00 H new ATOM 1674 N LYS A 107 -0.277 13.013 -8.585 1.00 0.00 N ATOM 1675 CA LYS A 107 -1.199 13.590 -7.622 1.00 0.00 C ATOM 1676 C LYS A 107 -0.427 14.501 -6.666 1.00 0.00 C ATOM 1677 O LYS A 107 0.665 14.154 -6.218 1.00 0.00 O ATOM 1678 CB LYS A 107 -1.994 12.490 -6.915 1.00 0.00 C ATOM 1679 CG LYS A 107 -3.306 13.038 -6.350 1.00 0.00 C ATOM 1680 CD LYS A 107 -3.874 12.104 -5.280 1.00 0.00 C ATOM 1681 CE LYS A 107 -5.184 11.466 -5.749 1.00 0.00 C ATOM 1682 NZ LYS A 107 -4.915 10.395 -6.735 1.00 0.00 N ATOM 0 H LYS A 107 0.543 12.566 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.938 14.211 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.205 11.682 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.396 12.065 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.137 14.027 -5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.031 13.158 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.148 11.325 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.046 12.662 -4.359 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.722 11.055 -4.894 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.826 12.226 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.814 9.973 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.421 10.796 -7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.320 9.662 -6.298 1.00 0.00 H new TER 1696 LYS A 107