USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 61 THR OG1 : rot 180:sc= 0.0257 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -136:sc= -0.115 (180deg=-0.64) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.641 K(o=0.64,f=-0.039) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= 0.866 (180deg=-0.0362) USER MOD Single : A 10 LYS NZ :NH3+ -116:sc= 0.99 (180deg=-0.474) USER MOD Single : A 11 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.5!) USER MOD Single : A 13 THR OG1 : rot 130:sc= 0.0844 USER MOD Single : A 14 ASN : amide:sc= 0.148 K(o=0.15,f=-5.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 25 SER OG : rot -88:sc= 1.24 USER MOD Single : A 26 THR OG1 : rot -90:sc= 1.17 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -2.69! (180deg=-3.55!) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0.891 (180deg=0.825) USER MOD Single : A 35 ASN : amide:sc= 1.66 K(o=1.7,f=-0.073) USER MOD Single : A 36 THR OG1 : rot -23:sc= 1.24 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 114:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 60 THR OG1 : rot 107:sc= 0.0523 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -120:sc= 0.946 USER MOD Single : A 70 ASN : amide:sc= -0.538! C(o=-0.54!,f=-3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= 1.1 (180deg=0.814) USER MOD Single : A 78 TYR OH : rot -10:sc= -1.71 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0303) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00676 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.793 K(o=-0.79,f=-8.7!) USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= 0.195 (180deg=0.0618) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2.6!) USER MOD Single : A 98 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.3) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.504 15.865 4.842 1.00 2.73 N ATOM 2 CA MET A 1 -5.486 15.088 4.057 1.00 1.99 C ATOM 3 C MET A 1 -4.786 14.041 3.198 1.00 1.53 C ATOM 4 O MET A 1 -3.843 14.349 2.470 1.00 2.16 O ATOM 5 CB MET A 1 -6.313 16.017 3.165 1.00 2.50 C ATOM 6 CG MET A 1 -7.337 15.289 2.308 1.00 3.10 C ATOM 7 SD MET A 1 -8.318 16.411 1.291 1.00 4.10 S ATOM 8 CE MET A 1 -9.192 17.337 2.552 1.00 4.70 C ATOM 0 H1 MET A 1 -5.002 16.572 5.419 1.00 2.73 H new ATOM 0 H2 MET A 1 -3.971 15.224 5.464 1.00 2.73 H new ATOM 0 H3 MET A 1 -3.847 16.347 4.196 1.00 2.73 H new ATOM 0 HA MET A 1 -6.150 14.581 4.757 1.00 1.99 H new ATOM 0 HB2 MET A 1 -6.828 16.745 3.792 1.00 2.50 H new ATOM 0 HB3 MET A 1 -5.640 16.576 2.515 1.00 2.50 H new ATOM 0 HG2 MET A 1 -6.824 14.576 1.663 1.00 3.10 H new ATOM 0 HG3 MET A 1 -8.002 14.715 2.953 1.00 3.10 H new ATOM 0 HE1 MET A 1 -10.239 17.441 2.267 1.00 4.70 H new ATOM 0 HE2 MET A 1 -9.126 16.809 3.503 1.00 4.70 H new ATOM 0 HE3 MET A 1 -8.744 18.325 2.654 1.00 4.70 H new ATOM 20 N GLN A 2 -5.241 12.804 3.309 1.00 0.97 N ATOM 21 CA GLN A 2 -4.771 11.720 2.463 1.00 0.74 C ATOM 22 C GLN A 2 -5.960 11.137 1.717 1.00 0.65 C ATOM 23 O GLN A 2 -7.043 10.998 2.288 1.00 0.86 O ATOM 24 CB GLN A 2 -4.087 10.638 3.306 1.00 1.18 C ATOM 25 CG GLN A 2 -2.826 11.116 4.012 1.00 1.83 C ATOM 26 CD GLN A 2 -1.675 11.363 3.054 1.00 2.42 C ATOM 27 OE1 GLN A 2 -0.874 10.466 2.790 1.00 2.91 O ATOM 28 NE2 GLN A 2 -1.587 12.575 2.528 1.00 3.09 N ATOM 0 H GLN A 2 -5.947 12.523 3.989 1.00 0.97 H new ATOM 0 HA GLN A 2 -4.039 12.101 1.751 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -4.793 10.271 4.051 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -3.835 9.795 2.663 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -3.045 12.036 4.555 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.525 10.374 4.751 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -2.273 13.289 2.774 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -0.834 12.795 1.876 1.00 3.09 H new ATOM 37 N ASP A 3 -5.778 10.813 0.450 1.00 0.48 N ATOM 38 CA ASP A 3 -6.890 10.352 -0.369 1.00 0.44 C ATOM 39 C ASP A 3 -6.459 9.202 -1.266 1.00 0.32 C ATOM 40 O ASP A 3 -5.326 8.729 -1.181 1.00 0.32 O ATOM 41 CB ASP A 3 -7.436 11.499 -1.214 1.00 0.55 C ATOM 42 CG ASP A 3 -8.889 11.305 -1.609 1.00 1.30 C ATOM 43 OD1 ASP A 3 -9.142 10.647 -2.639 1.00 1.97 O ATOM 44 OD2 ASP A 3 -9.780 11.803 -0.892 1.00 1.67 O ATOM 0 H ASP A 3 -4.881 10.859 -0.033 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.677 9.995 0.295 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -7.338 12.431 -0.658 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -6.831 11.600 -2.115 1.00 0.55 H new ATOM 49 N TRP A 4 -7.362 8.787 -2.138 1.00 0.32 N ATOM 50 CA TRP A 4 -7.153 7.639 -3.009 1.00 0.27 C ATOM 51 C TRP A 4 -5.996 7.883 -3.973 1.00 0.24 C ATOM 52 O TRP A 4 -5.227 6.972 -4.286 1.00 0.25 O ATOM 53 CB TRP A 4 -8.447 7.349 -3.776 1.00 0.29 C ATOM 54 CG TRP A 4 -8.337 6.233 -4.766 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.596 6.303 -6.101 1.00 0.33 C ATOM 56 CD2 TRP A 4 -7.937 4.884 -4.505 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.392 5.080 -6.685 1.00 0.32 N ATOM 58 CE2 TRP A 4 -7.984 4.194 -5.727 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.545 4.193 -3.358 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.653 2.850 -5.835 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.217 2.855 -3.466 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.275 2.195 -4.696 1.00 0.22 C ATOM 0 H TRP A 4 -8.268 9.239 -2.264 1.00 0.32 H new ATOM 0 HA TRP A 4 -6.891 6.774 -2.400 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.234 7.109 -3.061 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.757 8.254 -4.299 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -8.916 7.193 -6.623 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.523 4.866 -7.674 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.499 4.695 -2.403 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.693 2.340 -6.786 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -6.911 2.310 -2.585 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.016 1.148 -4.748 1.00 0.22 H new ATOM 73 N LEU A 5 -5.870 9.122 -4.425 1.00 0.28 N ATOM 74 CA LEU A 5 -4.799 9.502 -5.336 1.00 0.32 C ATOM 75 C LEU A 5 -3.442 9.305 -4.670 1.00 0.32 C ATOM 76 O LEU A 5 -2.489 8.843 -5.297 1.00 0.35 O ATOM 77 CB LEU A 5 -4.950 10.963 -5.786 1.00 0.42 C ATOM 78 CG LEU A 5 -6.202 11.291 -6.611 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.389 10.285 -7.737 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.441 11.355 -5.731 1.00 0.84 C ATOM 0 H LEU A 5 -6.499 9.885 -4.175 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.864 8.861 -6.215 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -4.948 11.597 -4.899 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.072 11.233 -6.373 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.058 12.276 -7.056 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -7.283 10.539 -8.307 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.520 10.309 -8.395 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.498 9.285 -7.317 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.311 11.589 -6.344 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.590 10.392 -5.242 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.311 12.130 -4.975 1.00 0.84 H new ATOM 92 N THR A 6 -3.365 9.650 -3.393 1.00 0.34 N ATOM 93 CA THR A 6 -2.132 9.513 -2.638 1.00 0.40 C ATOM 94 C THR A 6 -1.910 8.059 -2.240 1.00 0.35 C ATOM 95 O THR A 6 -0.783 7.556 -2.261 1.00 0.37 O ATOM 96 CB THR A 6 -2.173 10.394 -1.379 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.589 11.717 -1.744 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.809 10.452 -0.704 1.00 0.61 C ATOM 0 H THR A 6 -4.146 10.028 -2.858 1.00 0.34 H new ATOM 0 HA THR A 6 -1.307 9.837 -3.272 1.00 0.40 H new ATOM 0 HB THR A 6 -2.881 9.960 -0.673 1.00 0.52 H new ATOM 0 HG1 THR A 6 -2.619 12.283 -0.944 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.869 11.082 0.183 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.503 9.447 -0.415 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.078 10.869 -1.397 1.00 0.61 H new ATOM 106 N PHE A 7 -3.004 7.389 -1.897 1.00 0.29 N ATOM 107 CA PHE A 7 -2.972 5.985 -1.523 1.00 0.26 C ATOM 108 C PHE A 7 -2.385 5.152 -2.658 1.00 0.23 C ATOM 109 O PHE A 7 -1.566 4.262 -2.428 1.00 0.24 O ATOM 110 CB PHE A 7 -4.392 5.507 -1.196 1.00 0.24 C ATOM 111 CG PHE A 7 -4.462 4.126 -0.606 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.420 3.001 -1.418 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.575 3.954 0.763 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.488 1.732 -0.871 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.643 2.688 1.315 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.600 1.577 0.497 1.00 0.27 C ATOM 0 H PHE A 7 -3.935 7.805 -1.871 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.342 5.864 -0.642 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.847 6.210 -0.499 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -4.989 5.530 -2.108 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.333 3.118 -2.488 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.610 4.820 1.408 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.454 0.864 -1.513 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.730 2.569 2.385 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.654 0.587 0.926 1.00 0.27 H new ATOM 126 N GLN A 8 -2.807 5.463 -3.878 1.00 0.23 N ATOM 127 CA GLN A 8 -2.343 4.764 -5.067 1.00 0.24 C ATOM 128 C GLN A 8 -0.831 4.810 -5.214 1.00 0.24 C ATOM 129 O GLN A 8 -0.172 3.773 -5.214 1.00 0.25 O ATOM 130 CB GLN A 8 -2.973 5.369 -6.308 1.00 0.27 C ATOM 131 CG GLN A 8 -4.241 4.670 -6.755 1.00 0.27 C ATOM 132 CD GLN A 8 -4.800 5.267 -8.028 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.446 4.850 -9.131 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.677 6.246 -7.885 1.00 0.45 N ATOM 0 H GLN A 8 -3.479 6.206 -4.069 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.642 3.722 -4.955 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.197 6.418 -6.115 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.248 5.342 -7.122 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.035 3.611 -6.911 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -4.989 4.736 -5.965 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -5.942 6.561 -6.952 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.088 6.687 -8.708 1.00 0.45 H new ATOM 143 N LYS A 9 -0.289 6.016 -5.331 1.00 0.26 N ATOM 144 CA LYS A 9 1.135 6.203 -5.578 1.00 0.29 C ATOM 145 C LYS A 9 1.984 5.495 -4.522 1.00 0.29 C ATOM 146 O LYS A 9 3.100 5.058 -4.794 1.00 0.33 O ATOM 147 CB LYS A 9 1.450 7.694 -5.579 1.00 0.32 C ATOM 148 CG LYS A 9 0.658 8.490 -6.600 1.00 0.33 C ATOM 149 CD LYS A 9 0.837 9.978 -6.373 1.00 0.67 C ATOM 150 CE LYS A 9 0.080 10.810 -7.396 1.00 1.20 C ATOM 151 NZ LYS A 9 -1.394 10.709 -7.221 1.00 1.88 N ATOM 0 H LYS A 9 -0.819 6.885 -5.258 1.00 0.26 H new ATOM 0 HA LYS A 9 1.377 5.767 -6.547 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.253 8.098 -4.586 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.514 7.830 -5.773 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.985 8.228 -7.606 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.398 8.231 -6.531 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.492 10.235 -5.371 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.897 10.226 -6.419 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.384 11.853 -7.310 1.00 1.20 H new ATOM 0 HE3 LYS A 9 0.349 10.481 -8.400 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -1.828 10.388 -8.110 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -1.608 10.027 -6.465 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 -1.778 11.641 -6.965 1.00 1.88 H new ATOM 165 N LYS A 10 1.438 5.389 -3.321 1.00 0.28 N ATOM 166 CA LYS A 10 2.167 4.811 -2.199 1.00 0.30 C ATOM 167 C LYS A 10 1.957 3.305 -2.056 1.00 0.26 C ATOM 168 O LYS A 10 2.797 2.621 -1.470 1.00 0.29 O ATOM 169 CB LYS A 10 1.771 5.506 -0.894 1.00 0.38 C ATOM 170 CG LYS A 10 2.451 6.850 -0.680 1.00 0.63 C ATOM 171 CD LYS A 10 1.911 7.557 0.555 1.00 0.73 C ATOM 172 CE LYS A 10 2.811 8.705 0.987 1.00 1.10 C ATOM 173 NZ LYS A 10 4.110 8.213 1.523 1.00 1.34 N ATOM 0 H LYS A 10 0.491 5.696 -3.096 1.00 0.28 H new ATOM 0 HA LYS A 10 3.225 4.971 -2.407 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.691 5.651 -0.884 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.012 4.851 -0.057 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.526 6.703 -0.576 1.00 0.63 H new ATOM 0 HG3 LYS A 10 2.299 7.480 -1.557 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.911 7.937 0.348 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.817 6.841 1.372 1.00 0.73 H new ATOM 0 HE2 LYS A 10 2.993 9.364 0.138 1.00 1.10 H new ATOM 0 HE3 LYS A 10 2.304 9.298 1.748 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 4.191 8.471 2.527 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 4.156 7.179 1.426 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.892 8.646 0.991 1.00 1.34 H new ATOM 187 N HIS A 11 0.848 2.776 -2.562 1.00 0.25 N ATOM 188 CA HIS A 11 0.490 1.393 -2.250 1.00 0.24 C ATOM 189 C HIS A 11 0.126 0.563 -3.477 1.00 0.23 C ATOM 190 O HIS A 11 -0.222 -0.601 -3.338 1.00 0.26 O ATOM 191 CB HIS A 11 -0.681 1.347 -1.259 1.00 0.26 C ATOM 192 CG HIS A 11 -0.416 2.033 0.047 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.469 1.557 0.990 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.940 3.168 0.568 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.476 2.367 2.034 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.370 3.354 1.802 1.00 0.37 N ATOM 0 H HIS A 11 0.196 3.266 -3.174 1.00 0.25 H new ATOM 0 HA HIS A 11 1.385 0.953 -1.810 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.553 1.805 -1.725 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.934 0.305 -1.063 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.031 0.711 0.897 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.672 3.809 0.099 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.072 2.243 2.926 1.00 0.34 H new ATOM 205 N ILE A 12 0.196 1.127 -4.669 1.00 0.23 N ATOM 206 CA ILE A 12 -0.174 0.369 -5.863 1.00 0.24 C ATOM 207 C ILE A 12 1.052 0.068 -6.725 1.00 0.23 C ATOM 208 O ILE A 12 1.716 0.981 -7.219 1.00 0.30 O ATOM 209 CB ILE A 12 -1.242 1.109 -6.706 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.512 1.349 -5.881 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.573 0.327 -7.967 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.162 0.089 -5.347 1.00 0.48 C ATOM 0 H ILE A 12 0.498 2.086 -4.841 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.604 -0.572 -5.520 1.00 0.24 H new ATOM 0 HB ILE A 12 -0.830 2.075 -6.998 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.267 2.000 -5.042 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.235 1.882 -6.498 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.325 0.866 -8.543 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -0.672 0.208 -8.569 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -1.960 -0.655 -7.695 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.052 0.353 -4.776 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.442 -0.557 -6.179 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.459 -0.437 -4.701 1.00 0.48 H new ATOM 224 N THR A 13 1.358 -1.217 -6.885 1.00 0.20 N ATOM 225 CA THR A 13 2.477 -1.642 -7.717 1.00 0.21 C ATOM 226 C THR A 13 2.080 -2.839 -8.588 1.00 0.22 C ATOM 227 O THR A 13 1.180 -3.603 -8.236 1.00 0.24 O ATOM 228 CB THR A 13 3.724 -2.001 -6.864 1.00 0.21 C ATOM 229 OG1 THR A 13 4.836 -2.331 -7.711 1.00 0.30 O ATOM 230 CG2 THR A 13 3.444 -3.170 -5.932 1.00 0.21 C ATOM 0 H THR A 13 0.845 -1.982 -6.448 1.00 0.20 H new ATOM 0 HA THR A 13 2.738 -0.802 -8.360 1.00 0.21 H new ATOM 0 HB THR A 13 3.967 -1.125 -6.263 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.624 -1.821 -7.429 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.338 -3.394 -5.350 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.628 -2.910 -5.258 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.165 -4.045 -6.519 1.00 0.21 H new ATOM 238 N ASN A 14 2.752 -2.997 -9.724 1.00 0.28 N ATOM 239 CA ASN A 14 2.485 -4.115 -10.628 1.00 0.33 C ATOM 240 C ASN A 14 3.628 -5.116 -10.596 1.00 0.32 C ATOM 241 O ASN A 14 3.614 -6.114 -11.316 1.00 0.36 O ATOM 242 CB ASN A 14 2.300 -3.633 -12.067 1.00 0.46 C ATOM 243 CG ASN A 14 0.941 -3.029 -12.343 1.00 1.36 C ATOM 244 OD1 ASN A 14 -0.071 -3.420 -11.761 1.00 2.20 O ATOM 245 ND2 ASN A 14 0.917 -2.067 -13.245 1.00 2.08 N ATOM 0 H ASN A 14 3.487 -2.365 -10.042 1.00 0.28 H new ATOM 0 HA ASN A 14 1.566 -4.591 -10.287 1.00 0.33 H new ATOM 0 HB2 ASN A 14 3.068 -2.893 -12.293 1.00 0.46 H new ATOM 0 HB3 ASN A 14 2.457 -4.473 -12.744 1.00 0.46 H new ATOM 0 HD21 ASN A 14 0.035 -1.615 -13.485 1.00 2.08 H new ATOM 0 HD22 ASN A 14 1.781 -1.775 -13.702 1.00 2.08 H new ATOM 252 N THR A 15 4.622 -4.843 -9.773 1.00 0.33 N ATOM 253 CA THR A 15 5.749 -5.746 -9.627 1.00 0.36 C ATOM 254 C THR A 15 5.880 -6.213 -8.179 1.00 0.33 C ATOM 255 O THR A 15 5.617 -5.450 -7.241 1.00 0.36 O ATOM 256 CB THR A 15 7.067 -5.091 -10.105 1.00 0.42 C ATOM 257 OG1 THR A 15 8.151 -6.020 -9.984 1.00 0.48 O ATOM 258 CG2 THR A 15 7.381 -3.829 -9.312 1.00 0.43 C ATOM 0 H THR A 15 4.673 -4.004 -9.195 1.00 0.33 H new ATOM 0 HA THR A 15 5.560 -6.614 -10.259 1.00 0.36 H new ATOM 0 HB THR A 15 6.940 -4.813 -11.151 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.980 -5.597 -10.290 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.313 -3.395 -9.674 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.572 -3.109 -9.438 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.483 -4.079 -8.256 1.00 0.43 H new ATOM 266 N ARG A 16 6.251 -7.479 -8.007 1.00 0.32 N ATOM 267 CA ARG A 16 6.437 -8.057 -6.682 1.00 0.31 C ATOM 268 C ARG A 16 7.646 -7.449 -5.996 1.00 0.33 C ATOM 269 O ARG A 16 7.571 -7.036 -4.841 1.00 0.45 O ATOM 270 CB ARG A 16 6.597 -9.578 -6.763 1.00 0.36 C ATOM 271 CG ARG A 16 5.339 -10.301 -7.192 1.00 0.45 C ATOM 272 CD ARG A 16 4.228 -10.068 -6.190 1.00 0.38 C ATOM 273 NE ARG A 16 4.511 -10.667 -4.884 1.00 0.32 N ATOM 274 CZ ARG A 16 4.416 -10.012 -3.727 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.118 -8.720 -3.716 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.607 -10.648 -2.580 1.00 0.51 N ATOM 0 H ARG A 16 6.429 -8.126 -8.775 1.00 0.32 H new ATOM 0 HA ARG A 16 5.547 -7.832 -6.095 1.00 0.31 H new ATOM 0 HB2 ARG A 16 7.397 -9.813 -7.464 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.907 -9.954 -5.788 1.00 0.36 H new ATOM 0 HG2 ARG A 16 5.029 -9.951 -8.176 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.538 -11.369 -7.282 1.00 0.45 H new ATOM 0 HD2 ARG A 16 4.073 -8.996 -6.068 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.299 -10.482 -6.581 1.00 0.38 H new ATOM 0 HE ARG A 16 4.798 -11.645 -4.858 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.961 -8.225 -4.594 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.046 -8.221 -2.829 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.828 -11.644 -2.580 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.533 -10.142 -1.698 1.00 0.51 H new ATOM 290 N ASP A 17 8.758 -7.395 -6.704 1.00 0.37 N ATOM 291 CA ASP A 17 9.957 -6.768 -6.176 1.00 0.42 C ATOM 292 C ASP A 17 9.982 -5.317 -6.621 1.00 0.36 C ATOM 293 O ASP A 17 10.631 -4.970 -7.607 1.00 0.46 O ATOM 294 CB ASP A 17 11.217 -7.502 -6.657 1.00 0.60 C ATOM 295 CG ASP A 17 12.472 -7.124 -5.882 1.00 1.16 C ATOM 296 OD1 ASP A 17 13.126 -6.123 -6.256 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.793 -7.798 -4.877 1.00 1.94 O ATOM 0 H ASP A 17 8.857 -7.777 -7.645 1.00 0.37 H new ATOM 0 HA ASP A 17 9.944 -6.820 -5.087 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.057 -8.577 -6.572 1.00 0.60 H new ATOM 0 HB3 ASP A 17 11.373 -7.286 -7.714 1.00 0.60 H new ATOM 302 N VAL A 18 9.205 -4.487 -5.936 1.00 0.31 N ATOM 303 CA VAL A 18 9.138 -3.074 -6.269 1.00 0.29 C ATOM 304 C VAL A 18 10.487 -2.410 -6.020 1.00 0.29 C ATOM 305 O VAL A 18 11.191 -2.755 -5.072 1.00 0.35 O ATOM 306 CB VAL A 18 8.001 -2.340 -5.498 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.940 -2.767 -4.041 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.156 -0.827 -5.595 1.00 0.58 C ATOM 0 H VAL A 18 8.617 -4.768 -5.152 1.00 0.31 H new ATOM 0 HA VAL A 18 8.898 -2.996 -7.329 1.00 0.29 H new ATOM 0 HB VAL A 18 7.062 -2.625 -5.973 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.134 -2.232 -3.539 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.755 -3.840 -3.984 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.887 -2.536 -3.554 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.348 -0.343 -5.047 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.113 -0.531 -5.166 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.118 -0.524 -6.641 1.00 0.58 H new ATOM 318 N ASP A 19 10.855 -1.491 -6.905 1.00 0.34 N ATOM 319 CA ASP A 19 12.140 -0.811 -6.821 1.00 0.41 C ATOM 320 C ASP A 19 12.150 0.180 -5.659 1.00 0.39 C ATOM 321 O ASP A 19 12.037 1.393 -5.852 1.00 0.46 O ATOM 322 CB ASP A 19 12.444 -0.103 -8.142 1.00 0.58 C ATOM 323 CG ASP A 19 13.849 0.457 -8.213 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.644 0.174 -7.292 1.00 1.28 O ATOM 325 OD2 ASP A 19 14.162 1.196 -9.170 1.00 1.91 O ATOM 0 H ASP A 19 10.277 -1.199 -7.693 1.00 0.34 H new ATOM 0 HA ASP A 19 12.918 -1.552 -6.636 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.298 -0.804 -8.964 1.00 0.58 H new ATOM 0 HB3 ASP A 19 11.730 0.708 -8.284 1.00 0.58 H new ATOM 330 N CYS A 20 12.250 -0.367 -4.457 1.00 0.38 N ATOM 331 CA CYS A 20 12.217 0.408 -3.226 1.00 0.40 C ATOM 332 C CYS A 20 13.197 1.576 -3.240 1.00 0.38 C ATOM 333 O CYS A 20 12.792 2.720 -3.087 1.00 0.39 O ATOM 334 CB CYS A 20 12.528 -0.496 -2.037 1.00 0.51 C ATOM 335 SG CYS A 20 11.501 -1.997 -1.958 1.00 0.93 S ATOM 0 H CYS A 20 12.357 -1.370 -4.307 1.00 0.38 H new ATOM 0 HA CYS A 20 11.213 0.823 -3.138 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.577 -0.788 -2.081 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.394 0.072 -1.117 1.00 0.51 H new ATOM 340 N ASP A 21 14.476 1.282 -3.447 1.00 0.47 N ATOM 341 CA ASP A 21 15.542 2.273 -3.269 1.00 0.59 C ATOM 342 C ASP A 21 15.332 3.503 -4.148 1.00 0.53 C ATOM 343 O ASP A 21 15.554 4.634 -3.716 1.00 0.64 O ATOM 344 CB ASP A 21 16.905 1.643 -3.570 1.00 0.85 C ATOM 345 CG ASP A 21 18.056 2.600 -3.328 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.390 2.857 -2.151 1.00 1.66 O ATOM 347 OD2 ASP A 21 18.626 3.107 -4.310 1.00 2.26 O ATOM 0 H ASP A 21 14.805 0.362 -3.740 1.00 0.47 H new ATOM 0 HA ASP A 21 15.512 2.600 -2.230 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.037 0.757 -2.948 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.926 1.310 -4.608 1.00 0.85 H new ATOM 352 N ASN A 22 14.888 3.279 -5.372 1.00 0.50 N ATOM 353 CA ASN A 22 14.705 4.365 -6.327 1.00 0.49 C ATOM 354 C ASN A 22 13.370 5.065 -6.109 1.00 0.42 C ATOM 355 O ASN A 22 13.309 6.284 -5.972 1.00 0.43 O ATOM 356 CB ASN A 22 14.778 3.816 -7.749 1.00 0.59 C ATOM 357 CG ASN A 22 14.790 4.899 -8.811 1.00 0.69 C ATOM 358 OD1 ASN A 22 15.317 5.991 -8.601 1.00 1.07 O ATOM 359 ND2 ASN A 22 14.205 4.601 -9.960 1.00 1.14 N ATOM 0 H ASN A 22 14.647 2.355 -5.731 1.00 0.50 H new ATOM 0 HA ASN A 22 15.500 5.095 -6.176 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.677 3.208 -7.850 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.926 3.158 -7.921 1.00 0.59 H new ATOM 0 HD21 ASN A 22 14.179 5.289 -10.713 1.00 1.14 H new ATOM 0 HD22 ASN A 22 13.780 3.683 -10.093 1.00 1.14 H new ATOM 366 N ILE A 23 12.305 4.286 -6.070 1.00 0.40 N ATOM 367 CA ILE A 23 10.961 4.824 -5.904 1.00 0.38 C ATOM 368 C ILE A 23 10.825 5.590 -4.582 1.00 0.33 C ATOM 369 O ILE A 23 10.210 6.653 -4.536 1.00 0.34 O ATOM 370 CB ILE A 23 9.908 3.693 -5.993 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.913 3.104 -7.407 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.516 4.189 -5.628 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.927 1.973 -7.610 1.00 0.48 C ATOM 0 H ILE A 23 12.342 3.270 -6.151 1.00 0.40 H new ATOM 0 HA ILE A 23 10.781 5.529 -6.715 1.00 0.38 H new ATOM 0 HB ILE A 23 10.174 2.919 -5.273 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.691 3.898 -8.120 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.916 2.743 -7.635 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.805 3.366 -5.703 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.522 4.572 -4.607 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.222 4.985 -6.312 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.993 1.612 -8.636 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.160 1.159 -6.923 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.916 2.332 -7.417 1.00 0.48 H new ATOM 385 N LEU A 24 11.434 5.065 -3.523 1.00 0.30 N ATOM 386 CA LEU A 24 11.361 5.672 -2.197 1.00 0.29 C ATOM 387 C LEU A 24 12.204 6.937 -2.075 1.00 0.32 C ATOM 388 O LEU A 24 12.059 7.685 -1.106 1.00 0.33 O ATOM 389 CB LEU A 24 11.813 4.661 -1.145 1.00 0.31 C ATOM 390 CG LEU A 24 10.719 3.785 -0.534 1.00 0.38 C ATOM 391 CD1 LEU A 24 9.593 3.498 -1.508 1.00 1.03 C ATOM 392 CD2 LEU A 24 11.317 2.483 -0.047 1.00 1.01 C ATOM 0 H LEU A 24 11.990 4.211 -3.559 1.00 0.30 H new ATOM 0 HA LEU A 24 10.322 5.959 -2.036 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.561 4.009 -1.596 1.00 0.31 H new ATOM 0 HB3 LEU A 24 12.307 5.204 -0.339 1.00 0.31 H new ATOM 0 HG LEU A 24 10.292 4.338 0.302 1.00 0.38 H new ATOM 0 HD11 LEU A 24 8.843 2.872 -1.023 1.00 1.03 H new ATOM 0 HD12 LEU A 24 9.135 4.436 -1.821 1.00 1.03 H new ATOM 0 HD13 LEU A 24 9.990 2.979 -2.380 1.00 1.03 H new ATOM 0 HD21 LEU A 24 10.533 1.863 0.387 1.00 1.01 H new ATOM 0 HD22 LEU A 24 11.774 1.957 -0.885 1.00 1.01 H new ATOM 0 HD23 LEU A 24 12.075 2.691 0.708 1.00 1.01 H new ATOM 404 N SER A 25 13.069 7.186 -3.049 1.00 0.36 N ATOM 405 CA SER A 25 13.954 8.347 -2.982 1.00 0.41 C ATOM 406 C SER A 25 13.198 9.611 -3.385 1.00 0.42 C ATOM 407 O SER A 25 13.718 10.724 -3.287 1.00 0.49 O ATOM 408 CB SER A 25 15.187 8.155 -3.876 1.00 0.50 C ATOM 409 OG SER A 25 14.849 8.224 -5.250 1.00 1.28 O ATOM 0 H SER A 25 13.179 6.611 -3.884 1.00 0.36 H new ATOM 0 HA SER A 25 14.297 8.453 -1.953 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.928 8.920 -3.644 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.646 7.190 -3.661 1.00 0.50 H new ATOM 0 HG SER A 25 14.596 7.333 -5.570 1.00 1.28 H new ATOM 415 N THR A 26 11.961 9.424 -3.827 1.00 0.41 N ATOM 416 CA THR A 26 11.120 10.530 -4.249 1.00 0.46 C ATOM 417 C THR A 26 10.549 11.262 -3.037 1.00 0.45 C ATOM 418 O THR A 26 10.618 10.761 -1.912 1.00 0.45 O ATOM 419 CB THR A 26 9.962 10.034 -5.137 1.00 0.49 C ATOM 420 OG1 THR A 26 9.158 9.092 -4.413 1.00 0.44 O ATOM 421 CG2 THR A 26 10.494 9.379 -6.402 1.00 0.56 C ATOM 0 H THR A 26 11.518 8.508 -3.902 1.00 0.41 H new ATOM 0 HA THR A 26 11.740 11.216 -4.826 1.00 0.46 H new ATOM 0 HB THR A 26 9.354 10.894 -5.417 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.509 8.188 -4.552 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.659 9.037 -7.013 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.084 10.102 -6.966 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.121 8.528 -6.135 1.00 0.56 H new ATOM 429 N ASN A 27 9.973 12.432 -3.272 1.00 0.49 N ATOM 430 CA ASN A 27 9.378 13.229 -2.199 1.00 0.52 C ATOM 431 C ASN A 27 8.124 12.541 -1.677 1.00 0.52 C ATOM 432 O ASN A 27 7.718 12.731 -0.528 1.00 0.67 O ATOM 433 CB ASN A 27 9.037 14.633 -2.709 1.00 0.61 C ATOM 434 CG ASN A 27 8.563 15.565 -1.608 1.00 0.87 C ATOM 435 OD1 ASN A 27 7.369 15.669 -1.327 1.00 1.46 O ATOM 436 ND2 ASN A 27 9.499 16.256 -0.984 1.00 1.53 N ATOM 0 H ASN A 27 9.903 12.855 -4.198 1.00 0.49 H new ATOM 0 HA ASN A 27 10.097 13.319 -1.385 1.00 0.52 H new ATOM 0 HB2 ASN A 27 9.917 15.063 -3.188 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.263 14.558 -3.473 1.00 0.61 H new ATOM 0 HD21 ASN A 27 9.243 16.904 -0.239 1.00 1.53 H new ATOM 0 HD22 ASN A 27 10.478 16.141 -1.246 1.00 1.53 H new ATOM 443 N LEU A 28 7.539 11.717 -2.539 1.00 0.48 N ATOM 444 CA LEU A 28 6.336 10.959 -2.221 1.00 0.47 C ATOM 445 C LEU A 28 6.556 10.055 -1.007 1.00 0.45 C ATOM 446 O LEU A 28 5.634 9.798 -0.233 1.00 0.52 O ATOM 447 CB LEU A 28 5.938 10.117 -3.436 1.00 0.47 C ATOM 448 CG LEU A 28 4.681 9.264 -3.275 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.444 10.141 -3.167 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.557 8.296 -4.439 1.00 0.51 C ATOM 0 H LEU A 28 7.889 11.556 -3.484 1.00 0.48 H new ATOM 0 HA LEU A 28 5.537 11.658 -1.975 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.794 10.785 -4.285 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.770 9.459 -3.686 1.00 0.47 H new ATOM 0 HG LEU A 28 4.765 8.690 -2.352 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.561 9.512 -3.053 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.537 10.796 -2.301 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.346 10.744 -4.070 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.658 7.692 -4.316 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.493 8.855 -5.372 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.431 7.645 -4.465 1.00 0.51 H new ATOM 462 N PHE A 29 7.778 9.571 -0.845 1.00 0.42 N ATOM 463 CA PHE A 29 8.105 8.706 0.279 1.00 0.40 C ATOM 464 C PHE A 29 9.045 9.412 1.239 1.00 0.42 C ATOM 465 O PHE A 29 8.957 9.219 2.455 1.00 0.48 O ATOM 466 CB PHE A 29 8.726 7.398 -0.205 1.00 0.36 C ATOM 467 CG PHE A 29 7.810 6.613 -1.094 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.861 5.760 -0.557 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.891 6.739 -2.467 1.00 0.36 C ATOM 470 CE1 PHE A 29 6.011 5.046 -1.379 1.00 0.44 C ATOM 471 CE2 PHE A 29 7.045 6.032 -3.292 1.00 0.39 C ATOM 472 CZ PHE A 29 6.103 5.182 -2.749 1.00 0.42 C ATOM 0 H PHE A 29 8.557 9.761 -1.475 1.00 0.42 H new ATOM 0 HA PHE A 29 7.180 8.472 0.806 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.648 7.617 -0.744 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.997 6.789 0.657 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.785 5.652 0.515 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.627 7.400 -2.899 1.00 0.36 H new ATOM 0 HE1 PHE A 29 5.275 4.382 -0.950 1.00 0.44 H new ATOM 0 HE2 PHE A 29 7.119 6.143 -4.364 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.440 4.625 -3.394 1.00 0.42 H new ATOM 482 N HIS A 30 9.945 10.219 0.678 1.00 0.43 N ATOM 483 CA HIS A 30 10.844 11.063 1.464 1.00 0.52 C ATOM 484 C HIS A 30 11.809 10.200 2.278 1.00 0.45 C ATOM 485 O HIS A 30 12.252 10.593 3.361 1.00 0.48 O ATOM 486 CB HIS A 30 10.018 11.975 2.378 1.00 0.70 C ATOM 487 CG HIS A 30 10.699 13.253 2.758 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.991 13.593 4.058 1.00 1.78 N ATOM 489 CD2 HIS A 30 11.109 14.297 2.000 1.00 2.07 C ATOM 490 CE1 HIS A 30 11.550 14.786 4.085 1.00 2.74 C ATOM 491 NE2 HIS A 30 11.634 15.238 2.849 1.00 2.97 N ATOM 0 H HIS A 30 10.071 10.306 -0.330 1.00 0.43 H new ATOM 0 HA HIS A 30 11.438 11.684 0.793 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.078 12.213 1.880 1.00 0.70 H new ATOM 0 HB3 HIS A 30 9.767 11.427 3.286 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.036 14.375 0.925 1.00 2.07 H new ATOM 0 HE1 HIS A 30 11.883 15.306 4.971 1.00 2.74 H new ATOM 0 HE2 HIS A 30 12.025 16.138 2.570 1.00 2.97 H new ATOM 500 N CYS A 31 12.153 9.040 1.717 1.00 0.44 N ATOM 501 CA CYS A 31 12.981 8.041 2.393 1.00 0.45 C ATOM 502 C CYS A 31 12.389 7.667 3.758 1.00 0.40 C ATOM 503 O CYS A 31 12.976 7.940 4.808 1.00 0.47 O ATOM 504 CB CYS A 31 14.436 8.522 2.547 1.00 0.62 C ATOM 505 SG CYS A 31 15.250 8.993 0.980 1.00 1.10 S ATOM 0 H CYS A 31 11.864 8.766 0.778 1.00 0.44 H new ATOM 0 HA CYS A 31 12.989 7.149 1.767 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.453 9.378 3.222 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.018 7.732 3.021 1.00 0.62 H new ATOM 510 N LYS A 32 11.208 7.054 3.729 1.00 0.39 N ATOM 511 CA LYS A 32 10.508 6.644 4.947 1.00 0.43 C ATOM 512 C LYS A 32 11.136 5.388 5.565 1.00 0.45 C ATOM 513 O LYS A 32 11.941 4.707 4.930 1.00 0.55 O ATOM 514 CB LYS A 32 9.027 6.381 4.631 1.00 0.50 C ATOM 515 CG LYS A 32 8.738 4.971 4.127 1.00 0.53 C ATOM 516 CD LYS A 32 9.404 4.673 2.793 1.00 0.90 C ATOM 517 CE LYS A 32 9.609 3.185 2.605 1.00 2.05 C ATOM 518 NZ LYS A 32 10.616 2.633 3.549 1.00 2.72 N ATOM 0 H LYS A 32 10.711 6.828 2.868 1.00 0.39 H new ATOM 0 HA LYS A 32 10.595 7.454 5.672 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.437 6.562 5.530 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.694 7.099 3.881 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.080 4.248 4.868 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.661 4.840 4.027 1.00 0.53 H new ATOM 0 HD2 LYS A 32 8.790 5.064 1.982 1.00 0.90 H new ATOM 0 HD3 LYS A 32 10.365 5.185 2.741 1.00 0.90 H new ATOM 0 HE2 LYS A 32 8.660 2.669 2.746 1.00 2.05 H new ATOM 0 HE3 LYS A 32 9.928 2.990 1.581 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 10.510 1.600 3.604 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 11.572 2.866 3.212 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 10.471 3.047 4.492 1.00 2.72 H new ATOM 532 N ASP A 33 10.730 5.079 6.792 1.00 0.49 N ATOM 533 CA ASP A 33 11.158 3.863 7.487 1.00 0.54 C ATOM 534 C ASP A 33 10.724 2.620 6.706 1.00 0.48 C ATOM 535 O ASP A 33 11.557 1.849 6.228 1.00 0.51 O ATOM 536 CB ASP A 33 10.564 3.851 8.902 1.00 0.66 C ATOM 537 CG ASP A 33 10.796 2.555 9.654 1.00 1.28 C ATOM 538 OD1 ASP A 33 11.971 2.228 9.920 1.00 1.57 O ATOM 539 OD2 ASP A 33 9.817 1.846 9.957 1.00 2.06 O ATOM 0 H ASP A 33 10.095 5.663 7.336 1.00 0.49 H new ATOM 0 HA ASP A 33 12.246 3.851 7.558 1.00 0.54 H new ATOM 0 HB2 ASP A 33 10.995 4.673 9.473 1.00 0.66 H new ATOM 0 HB3 ASP A 33 9.492 4.035 8.837 1.00 0.66 H new ATOM 544 N LYS A 34 9.417 2.455 6.526 1.00 0.44 N ATOM 545 CA LYS A 34 8.884 1.352 5.726 1.00 0.41 C ATOM 546 C LYS A 34 7.618 1.772 4.988 1.00 0.38 C ATOM 547 O LYS A 34 6.947 2.721 5.383 1.00 0.43 O ATOM 548 CB LYS A 34 8.635 0.096 6.569 1.00 0.48 C ATOM 549 CG LYS A 34 8.125 0.347 7.974 1.00 0.95 C ATOM 550 CD LYS A 34 6.683 0.822 8.007 1.00 1.27 C ATOM 551 CE LYS A 34 6.214 1.002 9.438 1.00 1.96 C ATOM 552 NZ LYS A 34 7.057 1.980 10.174 1.00 2.60 N ATOM 0 H LYS A 34 8.706 3.070 6.922 1.00 0.44 H new ATOM 0 HA LYS A 34 9.643 1.098 4.986 1.00 0.41 H new ATOM 0 HB2 LYS A 34 7.916 -0.535 6.047 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.566 -0.468 6.634 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.213 -0.571 8.556 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.758 1.092 8.457 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.592 1.765 7.467 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.045 0.100 7.497 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.178 1.340 9.442 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.238 0.041 9.952 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 6.657 2.141 11.120 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 8.023 1.606 10.266 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 7.082 2.879 9.652 1.00 2.60 H new ATOM 566 N ASN A 35 7.325 1.076 3.901 1.00 0.37 N ATOM 567 CA ASN A 35 6.175 1.394 3.058 1.00 0.36 C ATOM 568 C ASN A 35 5.699 0.134 2.351 1.00 0.34 C ATOM 569 O ASN A 35 6.419 -0.428 1.522 1.00 0.38 O ATOM 570 CB ASN A 35 6.515 2.473 2.013 1.00 0.36 C ATOM 571 CG ASN A 35 5.304 2.883 1.191 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.597 3.828 1.535 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.053 2.171 0.107 1.00 0.35 N ATOM 0 H ASN A 35 7.872 0.279 3.576 1.00 0.37 H new ATOM 0 HA ASN A 35 5.386 1.786 3.700 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.922 3.349 2.518 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.293 2.099 1.348 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.249 2.398 -0.478 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.663 1.394 -0.145 1.00 0.35 H new ATOM 580 N THR A 36 4.495 -0.306 2.679 1.00 0.32 N ATOM 581 CA THR A 36 3.951 -1.532 2.122 1.00 0.30 C ATOM 582 C THR A 36 3.172 -1.267 0.832 1.00 0.26 C ATOM 583 O THR A 36 2.144 -0.582 0.839 1.00 0.28 O ATOM 584 CB THR A 36 3.026 -2.225 3.140 1.00 0.36 C ATOM 585 OG1 THR A 36 3.671 -2.274 4.419 1.00 0.45 O ATOM 586 CG2 THR A 36 2.679 -3.639 2.692 1.00 0.37 C ATOM 0 H THR A 36 3.874 0.171 3.332 1.00 0.32 H new ATOM 0 HA THR A 36 4.794 -2.183 1.891 1.00 0.30 H new ATOM 0 HB THR A 36 2.103 -1.650 3.210 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.641 -2.209 4.299 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.025 -4.104 3.430 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.170 -3.601 1.729 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.593 -4.225 2.597 1.00 0.37 H new ATOM 594 N PHE A 37 3.680 -1.803 -0.267 1.00 0.21 N ATOM 595 CA PHE A 37 3.005 -1.726 -1.555 1.00 0.18 C ATOM 596 C PHE A 37 2.099 -2.935 -1.736 1.00 0.18 C ATOM 597 O PHE A 37 2.287 -3.968 -1.090 1.00 0.21 O ATOM 598 CB PHE A 37 4.018 -1.693 -2.704 1.00 0.17 C ATOM 599 CG PHE A 37 4.959 -0.521 -2.685 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.066 -0.517 -1.852 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.749 0.565 -3.519 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.945 0.547 -1.850 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.623 1.633 -3.519 1.00 0.20 C ATOM 604 CZ PHE A 37 6.724 1.623 -2.685 1.00 0.20 C ATOM 0 H PHE A 37 4.569 -2.302 -0.292 1.00 0.21 H new ATOM 0 HA PHE A 37 2.417 -0.808 -1.572 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.604 -2.611 -2.678 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.474 -1.688 -3.649 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.243 -1.357 -1.196 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.892 0.576 -4.176 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.804 0.537 -1.196 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.446 2.476 -4.171 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.411 2.456 -2.686 1.00 0.20 H new ATOM 614 N ILE A 38 1.128 -2.798 -2.617 1.00 0.18 N ATOM 615 CA ILE A 38 0.194 -3.867 -2.916 1.00 0.17 C ATOM 616 C ILE A 38 0.317 -4.271 -4.378 1.00 0.17 C ATOM 617 O ILE A 38 0.141 -3.446 -5.276 1.00 0.18 O ATOM 618 CB ILE A 38 -1.259 -3.430 -2.626 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.385 -2.967 -1.171 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.234 -4.567 -2.918 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.658 -2.206 -0.882 1.00 0.22 C ATOM 0 H ILE A 38 0.964 -1.942 -3.147 1.00 0.18 H new ATOM 0 HA ILE A 38 0.437 -4.716 -2.278 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.511 -2.596 -3.281 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.337 -3.838 -0.517 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.531 -2.336 -0.925 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.251 -4.237 -2.707 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.156 -4.853 -3.967 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.992 -5.424 -2.289 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.676 -1.911 0.167 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.700 -1.316 -1.510 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.518 -2.841 -1.095 1.00 0.22 H new ATOM 633 N TYR A 39 0.652 -5.529 -4.608 1.00 0.16 N ATOM 634 CA TYR A 39 0.712 -6.073 -5.951 1.00 0.17 C ATOM 635 C TYR A 39 -0.700 -6.379 -6.432 1.00 0.18 C ATOM 636 O TYR A 39 -1.220 -7.483 -6.242 1.00 0.18 O ATOM 637 CB TYR A 39 1.601 -7.322 -5.975 1.00 0.20 C ATOM 638 CG TYR A 39 1.622 -8.067 -7.291 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.323 -7.576 -8.382 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.954 -9.277 -7.429 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.354 -8.270 -9.576 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.978 -9.972 -8.619 1.00 0.34 C ATOM 643 CZ TYR A 39 1.679 -9.465 -9.688 1.00 0.35 C ATOM 644 OH TYR A 39 1.709 -10.161 -10.872 1.00 0.40 O ATOM 0 H TYR A 39 0.888 -6.197 -3.874 1.00 0.16 H new ATOM 0 HA TYR A 39 1.155 -5.343 -6.629 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.620 -7.029 -5.725 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.265 -8.004 -5.194 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.852 -6.638 -8.297 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.407 -9.680 -6.590 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.905 -7.877 -10.418 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.449 -10.909 -8.711 1.00 0.34 H new ATOM 0 HH TYR A 39 1.183 -10.983 -10.782 1.00 0.40 H new ATOM 654 N SER A 40 -1.322 -5.365 -7.006 1.00 0.23 N ATOM 655 CA SER A 40 -2.695 -5.436 -7.461 1.00 0.26 C ATOM 656 C SER A 40 -3.056 -4.108 -8.107 1.00 0.29 C ATOM 657 O SER A 40 -2.419 -3.091 -7.828 1.00 0.50 O ATOM 658 CB SER A 40 -3.638 -5.721 -6.280 1.00 0.25 C ATOM 659 OG SER A 40 -4.986 -5.844 -6.706 1.00 0.93 O ATOM 0 H SER A 40 -0.881 -4.460 -7.170 1.00 0.23 H new ATOM 0 HA SER A 40 -2.802 -6.246 -8.183 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.329 -6.639 -5.780 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.559 -4.917 -5.548 1.00 0.25 H new ATOM 0 HG SER A 40 -5.558 -6.026 -5.932 1.00 0.93 H new ATOM 665 N ARG A 41 -4.055 -4.108 -8.975 1.00 0.25 N ATOM 666 CA ARG A 41 -4.523 -2.868 -9.562 1.00 0.27 C ATOM 667 C ARG A 41 -5.270 -2.053 -8.520 1.00 0.22 C ATOM 668 O ARG A 41 -5.781 -2.600 -7.541 1.00 0.23 O ATOM 669 CB ARG A 41 -5.432 -3.124 -10.768 1.00 0.33 C ATOM 670 CG ARG A 41 -4.759 -3.831 -11.910 1.00 0.54 C ATOM 671 CD ARG A 41 -3.532 -3.087 -12.363 1.00 1.08 C ATOM 672 NE ARG A 41 -3.795 -1.675 -12.641 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.899 -0.702 -12.454 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.690 -0.986 -11.987 1.00 2.92 N ATOM 675 NH2 ARG A 41 -3.227 0.553 -12.722 1.00 2.66 N ATOM 0 H ARG A 41 -4.551 -4.944 -9.284 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.652 -2.312 -9.909 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.288 -3.715 -10.444 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.820 -2.170 -11.125 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.483 -4.840 -11.605 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.456 -3.929 -12.742 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -2.762 -3.164 -11.595 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.136 -3.562 -13.261 1.00 1.08 H new ATOM 0 HE ARG A 41 -4.715 -1.419 -12.998 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -1.441 -1.951 -11.769 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.009 -0.239 -11.846 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -4.160 0.773 -13.070 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -2.546 1.299 -12.581 1.00 2.66 H new ATOM 689 N PRO A 42 -5.349 -0.735 -8.716 1.00 0.22 N ATOM 690 CA PRO A 42 -6.075 0.150 -7.810 1.00 0.21 C ATOM 691 C PRO A 42 -7.569 -0.137 -7.825 1.00 0.20 C ATOM 692 O PRO A 42 -8.256 0.068 -6.830 1.00 0.23 O ATOM 693 CB PRO A 42 -5.790 1.549 -8.358 1.00 0.24 C ATOM 694 CG PRO A 42 -5.405 1.339 -9.780 1.00 0.25 C ATOM 695 CD PRO A 42 -4.738 -0.003 -9.833 1.00 0.30 C ATOM 0 HA PRO A 42 -5.762 0.024 -6.773 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.668 2.190 -8.278 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -4.989 2.035 -7.801 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.280 1.366 -10.429 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.730 2.124 -10.122 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.916 -0.502 -10.785 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.658 0.081 -9.715 1.00 0.30 H new ATOM 703 N GLU A 43 -8.059 -0.664 -8.938 1.00 0.21 N ATOM 704 CA GLU A 43 -9.486 -0.871 -9.108 1.00 0.25 C ATOM 705 C GLU A 43 -10.030 -1.942 -8.147 1.00 0.23 C ATOM 706 O GLU A 43 -10.972 -1.679 -7.399 1.00 0.24 O ATOM 707 CB GLU A 43 -9.789 -1.229 -10.557 1.00 0.36 C ATOM 708 CG GLU A 43 -9.516 -0.093 -11.528 1.00 0.48 C ATOM 709 CD GLU A 43 -10.125 1.220 -11.080 1.00 1.60 C ATOM 710 OE1 GLU A 43 -11.363 1.360 -11.153 1.00 1.99 O ATOM 711 OE2 GLU A 43 -9.369 2.119 -10.657 1.00 2.36 O ATOM 0 H GLU A 43 -7.490 -0.954 -9.733 1.00 0.21 H new ATOM 0 HA GLU A 43 -9.994 0.061 -8.860 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.190 -2.094 -10.843 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.835 -1.524 -10.640 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -8.439 0.031 -11.642 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -9.912 -0.356 -12.509 1.00 0.48 H new ATOM 718 N PRO A 44 -9.448 -3.159 -8.143 1.00 0.24 N ATOM 719 CA PRO A 44 -9.850 -4.233 -7.221 1.00 0.26 C ATOM 720 C PRO A 44 -9.598 -3.884 -5.751 1.00 0.24 C ATOM 721 O PRO A 44 -10.175 -4.499 -4.853 1.00 0.27 O ATOM 722 CB PRO A 44 -8.978 -5.419 -7.644 1.00 0.30 C ATOM 723 CG PRO A 44 -7.832 -4.815 -8.375 1.00 0.36 C ATOM 724 CD PRO A 44 -8.386 -3.603 -9.054 1.00 0.27 C ATOM 0 HA PRO A 44 -10.921 -4.428 -7.282 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.638 -5.987 -6.778 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.532 -6.109 -8.280 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.027 -4.548 -7.691 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.416 -5.515 -9.099 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.625 -2.835 -9.189 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.778 -3.840 -10.043 1.00 0.27 H new ATOM 732 N VAL A 45 -8.741 -2.898 -5.512 1.00 0.20 N ATOM 733 CA VAL A 45 -8.453 -2.448 -4.154 1.00 0.19 C ATOM 734 C VAL A 45 -9.433 -1.350 -3.751 1.00 0.17 C ATOM 735 O VAL A 45 -9.844 -1.251 -2.596 1.00 0.18 O ATOM 736 CB VAL A 45 -6.995 -1.943 -4.016 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.728 -1.402 -2.616 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.016 -3.061 -4.346 1.00 0.23 C ATOM 0 H VAL A 45 -8.234 -2.395 -6.240 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.571 -3.301 -3.486 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.853 -1.127 -4.724 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.697 -1.055 -2.550 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.404 -0.571 -2.412 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.892 -2.192 -1.883 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.995 -2.692 -4.245 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.170 -3.894 -3.660 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.180 -3.398 -5.369 1.00 0.23 H new ATOM 748 N LYS A 46 -9.830 -0.544 -4.724 1.00 0.15 N ATOM 749 CA LYS A 46 -10.833 0.487 -4.508 1.00 0.15 C ATOM 750 C LYS A 46 -12.200 -0.160 -4.304 1.00 0.17 C ATOM 751 O LYS A 46 -13.042 0.348 -3.562 1.00 0.20 O ATOM 752 CB LYS A 46 -10.866 1.431 -5.708 1.00 0.17 C ATOM 753 CG LYS A 46 -11.648 2.709 -5.474 1.00 0.20 C ATOM 754 CD LYS A 46 -11.603 3.596 -6.703 1.00 0.27 C ATOM 755 CE LYS A 46 -12.267 4.936 -6.454 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.261 5.781 -7.674 1.00 1.36 N ATOM 0 H LYS A 46 -9.470 -0.585 -5.677 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.579 1.060 -3.616 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.843 1.689 -5.981 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.299 0.904 -6.558 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.683 2.469 -5.230 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.235 3.243 -4.618 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.566 3.754 -7.000 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.099 3.093 -7.533 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.294 4.779 -6.124 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.749 5.456 -5.648 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -12.723 6.690 -7.469 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.280 5.951 -7.974 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -12.776 5.295 -8.435 1.00 1.36 H new ATOM 770 N ALA A 47 -12.388 -1.307 -4.951 1.00 0.18 N ATOM 771 CA ALA A 47 -13.631 -2.062 -4.857 1.00 0.22 C ATOM 772 C ALA A 47 -13.850 -2.597 -3.446 1.00 0.22 C ATOM 773 O ALA A 47 -14.970 -2.959 -3.077 1.00 0.27 O ATOM 774 CB ALA A 47 -13.627 -3.204 -5.864 1.00 0.26 C ATOM 0 H ALA A 47 -11.685 -1.737 -5.553 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.455 -1.387 -5.088 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.560 -3.762 -5.785 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.529 -2.800 -6.872 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.788 -3.869 -5.657 1.00 0.26 H new ATOM 780 N ILE A 48 -12.781 -2.638 -2.656 1.00 0.20 N ATOM 781 CA ILE A 48 -12.874 -3.072 -1.268 1.00 0.21 C ATOM 782 C ILE A 48 -13.697 -2.069 -0.471 1.00 0.21 C ATOM 783 O ILE A 48 -14.455 -2.435 0.429 1.00 0.23 O ATOM 784 CB ILE A 48 -11.478 -3.222 -0.623 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.598 -4.115 -1.497 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.602 -3.804 0.780 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.152 -4.149 -1.062 1.00 0.21 C ATOM 0 H ILE A 48 -11.841 -2.376 -2.954 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.359 -4.048 -1.255 1.00 0.21 H new ATOM 0 HB ILE A 48 -11.015 -2.238 -0.545 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.997 -5.129 -1.483 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.651 -3.766 -2.528 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.610 -3.904 1.221 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.209 -3.141 1.397 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -12.076 -4.784 0.727 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.587 -4.802 -1.727 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.736 -3.142 -1.103 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -9.088 -4.527 -0.042 1.00 0.21 H new ATOM 799 N CYS A 49 -13.580 -0.805 -0.848 1.00 0.20 N ATOM 800 CA CYS A 49 -14.252 0.265 -0.141 1.00 0.21 C ATOM 801 C CYS A 49 -15.540 0.675 -0.844 1.00 0.25 C ATOM 802 O CYS A 49 -16.198 1.634 -0.440 1.00 0.25 O ATOM 803 CB CYS A 49 -13.307 1.453 -0.029 1.00 0.19 C ATOM 804 SG CYS A 49 -11.794 1.078 0.904 1.00 0.18 S ATOM 0 H CYS A 49 -13.022 -0.498 -1.645 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.524 -0.088 0.854 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.035 1.789 -1.030 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.828 2.280 0.454 1.00 0.19 H new ATOM 809 N LYS A 50 -15.905 -0.058 -1.888 1.00 0.32 N ATOM 810 CA LYS A 50 -17.120 0.238 -2.633 1.00 0.40 C ATOM 811 C LYS A 50 -18.336 0.101 -1.731 1.00 0.39 C ATOM 812 O LYS A 50 -18.588 -0.966 -1.171 1.00 0.47 O ATOM 813 CB LYS A 50 -17.261 -0.678 -3.849 1.00 0.54 C ATOM 814 CG LYS A 50 -18.487 -0.361 -4.695 1.00 0.68 C ATOM 815 CD LYS A 50 -18.628 -1.302 -5.883 1.00 0.92 C ATOM 816 CE LYS A 50 -17.514 -1.105 -6.896 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.660 -2.025 -8.055 1.00 2.33 N ATOM 0 H LYS A 50 -15.379 -0.859 -2.237 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.054 1.266 -2.990 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.368 -0.591 -4.467 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.317 -1.713 -3.512 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.381 -0.426 -4.074 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.422 0.666 -5.054 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.621 -2.334 -5.532 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.591 -1.136 -6.366 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -17.519 -0.073 -7.247 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -16.550 -1.274 -6.416 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -16.883 -1.863 -8.727 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -17.631 -3.010 -7.722 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.569 -1.846 -8.528 1.00 2.33 H new ATOM 831 N GLY A 51 -19.068 1.191 -1.582 1.00 0.36 N ATOM 832 CA GLY A 51 -20.251 1.191 -0.753 1.00 0.38 C ATOM 833 C GLY A 51 -19.996 1.777 0.620 1.00 0.37 C ATOM 834 O GLY A 51 -20.896 1.818 1.455 1.00 0.44 O ATOM 0 H GLY A 51 -18.860 2.085 -2.026 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -21.037 1.761 -1.248 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.616 0.170 -0.647 1.00 0.38 H new ATOM 838 N ILE A 52 -18.768 2.231 0.860 1.00 0.31 N ATOM 839 CA ILE A 52 -18.399 2.769 2.167 1.00 0.29 C ATOM 840 C ILE A 52 -18.138 4.271 2.084 1.00 0.29 C ATOM 841 O ILE A 52 -17.029 4.697 1.774 1.00 0.27 O ATOM 842 CB ILE A 52 -17.130 2.085 2.715 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.177 0.571 2.479 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.961 2.392 4.194 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.316 -0.139 3.177 1.00 0.33 C ATOM 0 H ILE A 52 -18.016 2.237 0.171 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.236 2.575 2.838 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.269 2.482 2.177 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.252 0.386 1.408 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.235 0.135 2.812 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.061 1.903 4.567 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.873 3.469 4.334 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.828 2.025 4.743 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.271 -1.205 2.954 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.233 0.011 4.253 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.266 0.265 2.827 1.00 0.33 H new ATOM 857 N ILE A 53 -19.157 5.074 2.361 1.00 0.33 N ATOM 858 CA ILE A 53 -19.042 6.523 2.238 1.00 0.35 C ATOM 859 C ILE A 53 -18.402 7.141 3.481 1.00 0.34 C ATOM 860 O ILE A 53 -17.511 7.987 3.373 1.00 0.35 O ATOM 861 CB ILE A 53 -20.420 7.175 1.961 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.884 6.896 0.525 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.360 8.679 2.188 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.994 5.434 0.150 1.00 0.55 C ATOM 0 H ILE A 53 -20.072 4.748 2.672 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.391 6.722 1.387 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.136 6.735 2.655 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.857 7.365 0.378 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.190 7.379 -0.163 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.338 9.116 1.988 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.077 8.880 3.221 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.622 9.119 1.518 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.329 5.348 -0.884 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.020 4.957 0.257 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.713 4.943 0.806 1.00 0.55 H new ATOM 876 N ALA A 54 -18.848 6.725 4.657 1.00 0.37 N ATOM 877 CA ALA A 54 -18.274 7.220 5.902 1.00 0.38 C ATOM 878 C ALA A 54 -17.030 6.422 6.255 1.00 0.33 C ATOM 879 O ALA A 54 -16.979 5.216 6.002 1.00 0.32 O ATOM 880 CB ALA A 54 -19.289 7.148 7.035 1.00 0.46 C ATOM 0 H ALA A 54 -19.602 6.049 4.777 1.00 0.37 H new ATOM 0 HA ALA A 54 -17.997 8.265 5.762 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.837 7.523 7.953 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.158 7.756 6.784 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.600 6.113 7.180 1.00 0.46 H new ATOM 886 N SER A 55 -16.036 7.101 6.823 1.00 0.34 N ATOM 887 CA SER A 55 -14.784 6.465 7.217 1.00 0.34 C ATOM 888 C SER A 55 -15.032 5.212 8.052 1.00 0.32 C ATOM 889 O SER A 55 -15.563 5.275 9.163 1.00 0.36 O ATOM 890 CB SER A 55 -13.912 7.458 7.983 1.00 0.41 C ATOM 891 OG SER A 55 -12.892 7.989 7.157 1.00 1.42 O ATOM 0 H SER A 55 -16.076 8.101 7.022 1.00 0.34 H new ATOM 0 HA SER A 55 -14.261 6.157 6.312 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.531 8.269 8.367 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.464 6.963 8.845 1.00 0.41 H new ATOM 0 HG SER A 55 -13.049 8.946 7.018 1.00 1.42 H new ATOM 897 N LYS A 56 -14.663 4.075 7.486 1.00 0.30 N ATOM 898 CA LYS A 56 -14.896 2.788 8.115 1.00 0.31 C ATOM 899 C LYS A 56 -13.681 1.882 7.943 1.00 0.29 C ATOM 900 O LYS A 56 -13.080 1.834 6.868 1.00 0.27 O ATOM 901 CB LYS A 56 -16.133 2.143 7.487 1.00 0.34 C ATOM 902 CG LYS A 56 -16.581 0.844 8.137 1.00 0.40 C ATOM 903 CD LYS A 56 -17.752 0.245 7.375 1.00 0.51 C ATOM 904 CE LYS A 56 -18.309 -0.997 8.052 1.00 0.94 C ATOM 905 NZ LYS A 56 -19.434 -1.585 7.275 1.00 1.71 N ATOM 0 H LYS A 56 -14.195 4.019 6.581 1.00 0.30 H new ATOM 0 HA LYS A 56 -15.062 2.932 9.183 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.957 2.856 7.529 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.930 1.953 6.433 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.752 0.136 8.158 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.869 1.028 9.172 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.542 0.991 7.283 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.433 -0.008 6.364 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.517 -1.737 8.164 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -18.652 -0.743 9.055 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -19.790 -2.430 7.765 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -20.199 -0.886 7.190 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.100 -1.850 6.327 1.00 1.71 H new ATOM 919 N ASN A 57 -13.316 1.183 9.007 1.00 0.36 N ATOM 920 CA ASN A 57 -12.205 0.239 8.964 1.00 0.37 C ATOM 921 C ASN A 57 -12.687 -1.102 8.429 1.00 0.33 C ATOM 922 O ASN A 57 -13.456 -1.798 9.094 1.00 0.41 O ATOM 923 CB ASN A 57 -11.610 0.052 10.364 1.00 0.50 C ATOM 924 CG ASN A 57 -11.078 1.342 10.957 1.00 0.80 C ATOM 925 OD1 ASN A 57 -9.780 1.568 10.823 1.00 1.49 O flip ATOM 926 ND2 ASN A 57 -11.823 2.122 11.546 1.00 1.13 N flip ATOM 0 H ASN A 57 -13.774 1.251 9.916 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.434 0.636 8.304 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -12.373 -0.358 11.026 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.803 -0.679 10.316 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -12.818 1.913 11.629 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -11.446 2.978 11.952 1.00 1.13 H new ATOM 933 N VAL A 58 -12.264 -1.457 7.221 1.00 0.28 N ATOM 934 CA VAL A 58 -12.700 -2.707 6.613 1.00 0.27 C ATOM 935 C VAL A 58 -11.503 -3.589 6.251 1.00 0.25 C ATOM 936 O VAL A 58 -10.486 -3.110 5.742 1.00 0.25 O ATOM 937 CB VAL A 58 -13.574 -2.464 5.356 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.643 -1.419 5.627 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.734 -2.068 4.159 1.00 0.57 C ATOM 0 H VAL A 58 -11.626 -0.903 6.649 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.309 -3.223 7.355 1.00 0.27 H new ATOM 0 HB VAL A 58 -14.067 -3.407 5.119 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.241 -1.269 4.728 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.287 -1.759 6.438 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.169 -0.479 5.909 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.382 -1.906 3.297 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.192 -1.149 4.383 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -12.023 -2.863 3.934 1.00 0.57 H new ATOM 949 N LEU A 59 -11.615 -4.873 6.555 1.00 0.28 N ATOM 950 CA LEU A 59 -10.570 -5.830 6.245 1.00 0.26 C ATOM 951 C LEU A 59 -10.892 -6.604 4.973 1.00 0.26 C ATOM 952 O LEU A 59 -12.053 -6.919 4.705 1.00 0.30 O ATOM 953 CB LEU A 59 -10.402 -6.818 7.393 1.00 0.30 C ATOM 954 CG LEU A 59 -9.304 -7.848 7.175 1.00 0.34 C ATOM 955 CD1 LEU A 59 -7.941 -7.188 7.255 1.00 0.53 C ATOM 956 CD2 LEU A 59 -9.429 -8.986 8.169 1.00 0.67 C ATOM 0 H LEU A 59 -12.428 -5.277 7.020 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.646 -5.271 6.096 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.188 -6.263 8.306 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.347 -7.339 7.550 1.00 0.30 H new ATOM 0 HG LEU A 59 -9.415 -8.272 6.177 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -7.164 -7.936 7.097 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -7.864 -6.418 6.487 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -7.813 -6.735 8.238 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -8.634 -9.711 7.994 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -9.347 -8.594 9.183 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -10.397 -9.472 8.045 1.00 0.67 H new ATOM 968 N THR A 60 -9.865 -6.899 4.190 1.00 0.22 N ATOM 969 CA THR A 60 -10.019 -7.753 3.027 1.00 0.22 C ATOM 970 C THR A 60 -10.216 -9.206 3.455 1.00 0.24 C ATOM 971 O THR A 60 -9.623 -9.668 4.429 1.00 0.33 O ATOM 972 CB THR A 60 -8.798 -7.648 2.088 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.602 -8.031 2.776 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.647 -6.230 1.568 1.00 0.24 C ATOM 0 H THR A 60 -8.916 -6.558 4.341 1.00 0.22 H new ATOM 0 HA THR A 60 -10.901 -7.415 2.483 1.00 0.22 H new ATOM 0 HB THR A 60 -8.960 -8.323 1.247 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.309 -8.910 2.458 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.781 -6.175 0.908 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.543 -5.948 1.016 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.508 -5.548 2.407 1.00 0.24 H new ATOM 982 N THR A 61 -11.066 -9.909 2.733 1.00 0.27 N ATOM 983 CA THR A 61 -11.382 -11.295 3.036 1.00 0.33 C ATOM 984 C THR A 61 -10.288 -12.245 2.552 1.00 0.33 C ATOM 985 O THR A 61 -10.135 -13.351 3.070 1.00 0.43 O ATOM 986 CB THR A 61 -12.717 -11.676 2.386 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.706 -11.283 1.007 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.878 -11.001 3.100 1.00 0.46 C ATOM 0 H THR A 61 -11.558 -9.538 1.920 1.00 0.27 H new ATOM 0 HA THR A 61 -11.454 -11.390 4.120 1.00 0.33 H new ATOM 0 HB THR A 61 -12.846 -12.756 2.462 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.559 -11.528 0.590 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.815 -11.286 2.621 1.00 0.46 H new ATOM 0 HG22 THR A 61 -13.894 -11.314 4.144 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.758 -9.919 3.047 1.00 0.46 H new ATOM 996 N SER A 62 -9.525 -11.799 1.570 1.00 0.28 N ATOM 997 CA SER A 62 -8.492 -12.621 0.963 1.00 0.31 C ATOM 998 C SER A 62 -7.127 -11.965 1.129 1.00 0.26 C ATOM 999 O SER A 62 -7.039 -10.756 1.365 1.00 0.24 O ATOM 1000 CB SER A 62 -8.794 -12.822 -0.521 1.00 0.41 C ATOM 1001 OG SER A 62 -10.133 -13.252 -0.720 1.00 1.09 O ATOM 0 H SER A 62 -9.603 -10.863 1.172 1.00 0.28 H new ATOM 0 HA SER A 62 -8.478 -13.590 1.461 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.625 -11.889 -1.059 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.107 -13.559 -0.938 1.00 0.41 H new ATOM 0 HG SER A 62 -10.299 -13.371 -1.678 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.066 -12.760 1.015 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.713 -12.233 1.129 1.00 0.23 C ATOM 1009 C GLU A 63 -4.228 -11.716 -0.216 1.00 0.24 C ATOM 1010 O GLU A 63 -4.421 -12.356 -1.253 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.737 -13.291 1.659 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.167 -13.909 2.980 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.166 -14.908 3.517 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -2.797 -15.841 2.774 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -2.743 -14.762 4.684 1.00 2.06 O ATOM 0 H GLU A 63 -6.118 -13.764 0.845 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.743 -11.410 1.843 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.632 -14.081 0.915 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.754 -12.837 1.783 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.313 -13.117 3.715 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.130 -14.402 2.848 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.610 -10.552 -0.192 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.048 -9.955 -1.387 1.00 0.17 C ATOM 1024 C PHE A 64 -1.535 -10.047 -1.346 1.00 0.16 C ATOM 1025 O PHE A 64 -0.947 -10.329 -0.301 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.479 -8.495 -1.520 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.923 -8.324 -1.898 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.922 -8.398 -0.940 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.283 -8.089 -3.217 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.249 -8.241 -1.289 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.609 -7.933 -3.569 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.592 -8.007 -2.604 1.00 0.28 C ATOM 0 H PHE A 64 -3.484 -9.995 0.653 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.420 -10.502 -2.253 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.297 -7.984 -0.575 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.856 -8.008 -2.270 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.660 -8.581 0.092 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.518 -8.027 -3.977 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.018 -8.301 -0.533 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.877 -7.753 -4.600 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.629 -7.882 -2.878 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.911 -9.812 -2.481 1.00 0.17 N ATOM 1043 CA TYR A 65 0.533 -9.898 -2.577 1.00 0.16 C ATOM 1044 C TYR A 65 1.150 -8.565 -2.201 1.00 0.16 C ATOM 1045 O TYR A 65 1.098 -7.606 -2.963 1.00 0.18 O ATOM 1046 CB TYR A 65 0.946 -10.304 -3.989 1.00 0.20 C ATOM 1047 CG TYR A 65 0.389 -11.639 -4.411 1.00 0.30 C ATOM 1048 CD1 TYR A 65 1.032 -12.819 -4.064 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -0.774 -11.718 -5.160 1.00 0.40 C ATOM 1050 CE1 TYR A 65 0.529 -14.044 -4.453 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.284 -12.938 -5.556 1.00 0.51 C ATOM 1052 CZ TYR A 65 -0.644 -14.099 -5.177 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.136 -15.316 -5.598 1.00 0.66 O ATOM 0 H TYR A 65 -1.380 -9.560 -3.351 1.00 0.17 H new ATOM 0 HA TYR A 65 0.894 -10.659 -1.885 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.613 -9.540 -4.692 1.00 0.20 H new ATOM 0 HB3 TYR A 65 2.034 -10.337 -4.047 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.940 -12.778 -3.481 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.290 -10.811 -5.438 1.00 0.40 H new ATOM 0 HE1 TYR A 65 1.050 -14.953 -4.192 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.179 -12.983 -6.159 1.00 0.51 H new ATOM 0 HH TYR A 65 -1.970 -15.178 -6.094 1.00 0.66 H new ATOM 1063 N LEU A 66 1.716 -8.504 -1.015 1.00 0.15 N ATOM 1064 CA LEU A 66 2.240 -7.259 -0.491 1.00 0.16 C ATOM 1065 C LEU A 66 3.751 -7.205 -0.641 1.00 0.16 C ATOM 1066 O LEU A 66 4.429 -8.237 -0.594 1.00 0.20 O ATOM 1067 CB LEU A 66 1.844 -7.114 0.977 1.00 0.18 C ATOM 1068 CG LEU A 66 0.350 -7.289 1.248 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.065 -7.221 2.738 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.461 -6.245 0.495 1.00 0.19 C ATOM 0 H LEU A 66 1.826 -9.305 -0.393 1.00 0.15 H new ATOM 0 HA LEU A 66 1.816 -6.431 -1.060 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.396 -7.848 1.564 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.152 -6.129 1.328 1.00 0.18 H new ATOM 0 HG LEU A 66 0.051 -8.274 0.888 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.004 -7.348 2.910 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.611 -8.013 3.249 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.383 -6.253 3.125 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.521 -6.389 0.703 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.160 -5.248 0.817 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.284 -6.349 -0.575 1.00 0.19 H new ATOM 1082 N SER A 67 4.262 -6.007 -0.857 1.00 0.17 N ATOM 1083 CA SER A 67 5.693 -5.780 -0.933 1.00 0.18 C ATOM 1084 C SER A 67 6.059 -4.626 -0.014 1.00 0.22 C ATOM 1085 O SER A 67 5.738 -3.476 -0.297 1.00 0.26 O ATOM 1086 CB SER A 67 6.092 -5.448 -2.366 1.00 0.22 C ATOM 1087 OG SER A 67 5.595 -6.416 -3.267 1.00 0.29 O ATOM 0 H SER A 67 3.699 -5.166 -0.984 1.00 0.17 H new ATOM 0 HA SER A 67 6.224 -6.680 -0.622 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.708 -4.464 -2.636 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.178 -5.398 -2.443 1.00 0.22 H new ATOM 0 HG SER A 67 6.342 -6.833 -3.745 1.00 0.29 H new ATOM 1093 N ASP A 68 6.731 -4.924 1.076 1.00 0.26 N ATOM 1094 CA ASP A 68 7.016 -3.909 2.077 1.00 0.34 C ATOM 1095 C ASP A 68 8.473 -3.488 2.016 1.00 0.29 C ATOM 1096 O ASP A 68 9.369 -4.279 2.294 1.00 0.34 O ATOM 1097 CB ASP A 68 6.672 -4.440 3.467 1.00 0.46 C ATOM 1098 CG ASP A 68 6.789 -3.387 4.547 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.383 -2.233 4.309 1.00 1.12 O ATOM 1100 OD2 ASP A 68 7.257 -3.724 5.654 1.00 2.01 O ATOM 0 H ASP A 68 7.090 -5.853 1.295 1.00 0.26 H new ATOM 0 HA ASP A 68 6.402 -3.033 1.870 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.655 -4.833 3.459 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.333 -5.273 3.706 1.00 0.46 H new ATOM 1105 N CYS A 69 8.714 -2.247 1.645 1.00 0.28 N ATOM 1106 CA CYS A 69 10.078 -1.763 1.530 1.00 0.26 C ATOM 1107 C CYS A 69 10.543 -1.169 2.849 1.00 0.30 C ATOM 1108 O CYS A 69 10.013 -0.154 3.310 1.00 0.35 O ATOM 1109 CB CYS A 69 10.166 -0.715 0.425 1.00 0.25 C ATOM 1110 SG CYS A 69 9.730 -1.337 -1.227 1.00 0.62 S ATOM 0 H CYS A 69 7.994 -1.561 1.420 1.00 0.28 H new ATOM 0 HA CYS A 69 10.727 -2.602 1.279 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.506 0.116 0.674 1.00 0.25 H new ATOM 0 HB3 CYS A 69 11.181 -0.318 0.396 1.00 0.25 H new ATOM 1115 N ASN A 70 11.569 -1.777 3.424 1.00 0.35 N ATOM 1116 CA ASN A 70 12.062 -1.376 4.735 1.00 0.42 C ATOM 1117 C ASN A 70 13.490 -0.890 4.647 1.00 0.44 C ATOM 1118 O ASN A 70 14.258 -1.334 3.790 1.00 0.49 O ATOM 1119 CB ASN A 70 11.995 -2.542 5.724 1.00 0.51 C ATOM 1120 CG ASN A 70 10.582 -2.925 6.107 1.00 0.97 C ATOM 1121 OD1 ASN A 70 10.066 -2.480 7.129 1.00 1.93 O ATOM 1122 ND2 ASN A 70 9.946 -3.755 5.297 1.00 1.08 N ATOM 0 H ASN A 70 12.079 -2.553 3.002 1.00 0.35 H new ATOM 0 HA ASN A 70 11.424 -0.566 5.088 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.493 -3.408 5.287 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.548 -2.277 6.625 1.00 0.51 H new ATOM 0 HD21 ASN A 70 8.993 -4.047 5.512 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.409 -4.103 4.457 1.00 1.08 H new ATOM 1129 N VAL A 71 13.828 0.034 5.526 1.00 0.47 N ATOM 1130 CA VAL A 71 15.179 0.551 5.623 1.00 0.51 C ATOM 1131 C VAL A 71 16.085 -0.507 6.256 1.00 0.56 C ATOM 1132 O VAL A 71 15.678 -1.202 7.187 1.00 0.60 O ATOM 1133 CB VAL A 71 15.184 1.866 6.438 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.801 1.625 7.890 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.523 2.577 6.346 1.00 0.82 C ATOM 0 H VAL A 71 13.175 0.447 6.192 1.00 0.47 H new ATOM 0 HA VAL A 71 15.562 0.777 4.628 1.00 0.51 H new ATOM 0 HB VAL A 71 14.430 2.517 5.996 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.815 2.571 8.432 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.800 1.196 7.936 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.513 0.936 8.344 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.488 3.496 6.931 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.307 1.928 6.736 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.736 2.818 5.305 1.00 0.82 H new ATOM 1145 N THR A 72 17.290 -0.666 5.728 1.00 0.58 N ATOM 1146 CA THR A 72 18.165 -1.738 6.180 1.00 0.64 C ATOM 1147 C THR A 72 19.421 -1.219 6.879 1.00 0.75 C ATOM 1148 O THR A 72 19.350 -0.679 7.983 1.00 0.93 O ATOM 1149 CB THR A 72 18.563 -2.660 5.015 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.019 -1.876 3.901 1.00 0.78 O ATOM 1151 CG2 THR A 72 17.391 -3.530 4.591 1.00 0.78 C ATOM 0 H THR A 72 17.681 -0.074 4.995 1.00 0.58 H new ATOM 0 HA THR A 72 17.591 -2.308 6.911 1.00 0.64 H new ATOM 0 HB THR A 72 19.371 -3.310 5.352 1.00 0.71 H new ATOM 0 HG1 THR A 72 19.272 -2.471 3.164 1.00 0.78 H new ATOM 0 HG21 THR A 72 17.696 -4.174 3.766 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.071 -4.145 5.432 1.00 0.78 H new ATOM 0 HG23 THR A 72 16.564 -2.896 4.270 1.00 0.78 H new ATOM 1159 N SER A 73 20.562 -1.352 6.215 1.00 0.86 N ATOM 1160 CA SER A 73 21.848 -1.072 6.832 1.00 1.02 C ATOM 1161 C SER A 73 22.249 0.380 6.623 1.00 0.90 C ATOM 1162 O SER A 73 23.227 0.856 7.201 1.00 0.99 O ATOM 1163 CB SER A 73 22.905 -1.999 6.248 1.00 1.33 C ATOM 1164 OG SER A 73 22.445 -3.340 6.232 1.00 1.87 O ATOM 0 H SER A 73 20.621 -1.654 5.243 1.00 0.86 H new ATOM 0 HA SER A 73 21.765 -1.246 7.905 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.153 -1.683 5.235 1.00 1.33 H new ATOM 0 HB3 SER A 73 23.820 -1.931 6.836 1.00 1.33 H new ATOM 0 HG SER A 73 23.138 -3.919 5.852 1.00 1.87 H new ATOM 1170 N ARG A 74 21.489 1.075 5.795 1.00 0.81 N ATOM 1171 CA ARG A 74 21.762 2.467 5.492 1.00 0.76 C ATOM 1172 C ARG A 74 20.466 3.252 5.392 1.00 0.68 C ATOM 1173 O ARG A 74 19.439 2.710 4.985 1.00 0.63 O ATOM 1174 CB ARG A 74 22.554 2.589 4.191 1.00 0.88 C ATOM 1175 CG ARG A 74 24.055 2.547 4.388 1.00 1.40 C ATOM 1176 CD ARG A 74 24.790 2.583 3.057 1.00 1.55 C ATOM 1177 NE ARG A 74 26.205 2.905 3.225 1.00 2.35 N ATOM 1178 CZ ARG A 74 27.208 2.124 2.826 1.00 2.74 C ATOM 1179 NH1 ARG A 74 26.960 0.950 2.256 1.00 2.41 N ATOM 1180 NH2 ARG A 74 28.464 2.521 3.008 1.00 3.76 N ATOM 0 H ARG A 74 20.672 0.694 5.318 1.00 0.81 H new ATOM 0 HA ARG A 74 22.361 2.882 6.303 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.261 1.781 3.520 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.287 3.524 3.699 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.367 3.393 5.001 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.327 1.642 4.931 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.694 1.616 2.563 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.324 3.322 2.405 1.00 1.55 H new ATOM 0 HE ARG A 74 26.441 3.788 3.679 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.997 0.642 2.121 1.00 2.41 H new ATOM 0 HH12 ARG A 74 27.733 0.357 1.953 1.00 2.41 H new ATOM 0 HH21 ARG A 74 28.656 3.419 3.451 1.00 3.76 H new ATOM 0 HH22 ARG A 74 29.236 1.927 2.704 1.00 3.76 H new ATOM 1194 N PRO A 75 20.496 4.536 5.769 1.00 0.74 N ATOM 1195 CA PRO A 75 19.321 5.396 5.692 1.00 0.74 C ATOM 1196 C PRO A 75 18.933 5.670 4.242 1.00 0.65 C ATOM 1197 O PRO A 75 19.780 6.024 3.420 1.00 0.70 O ATOM 1198 CB PRO A 75 19.755 6.679 6.403 1.00 0.92 C ATOM 1199 CG PRO A 75 21.245 6.685 6.332 1.00 1.05 C ATOM 1200 CD PRO A 75 21.681 5.247 6.285 1.00 0.92 C ATOM 0 HA PRO A 75 18.440 4.944 6.148 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.335 7.559 5.917 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.411 6.691 7.437 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.588 7.223 5.448 1.00 1.05 H new ATOM 0 HG3 PRO A 75 21.672 7.191 7.198 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.544 5.112 5.633 1.00 0.92 H new ATOM 0 HD3 PRO A 75 21.967 4.883 7.272 1.00 0.92 H new ATOM 1208 N CYS A 76 17.653 5.478 3.941 1.00 0.57 N ATOM 1209 CA CYS A 76 17.132 5.598 2.579 1.00 0.52 C ATOM 1210 C CYS A 76 17.760 4.523 1.675 1.00 0.51 C ATOM 1211 O CYS A 76 17.885 4.695 0.462 1.00 0.55 O ATOM 1212 CB CYS A 76 17.348 7.019 2.023 1.00 0.58 C ATOM 1213 SG CYS A 76 16.402 7.384 0.501 1.00 1.55 S ATOM 0 H CYS A 76 16.945 5.234 4.633 1.00 0.57 H new ATOM 0 HA CYS A 76 16.055 5.430 2.600 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.072 7.742 2.790 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.410 7.159 1.819 1.00 0.58 H new ATOM 1218 N LYS A 77 18.149 3.408 2.293 1.00 0.50 N ATOM 1219 CA LYS A 77 18.562 2.208 1.570 1.00 0.50 C ATOM 1220 C LYS A 77 17.671 1.052 1.991 1.00 0.47 C ATOM 1221 O LYS A 77 17.528 0.773 3.185 1.00 0.51 O ATOM 1222 CB LYS A 77 20.031 1.883 1.842 1.00 0.60 C ATOM 1223 CG LYS A 77 20.986 2.710 1.001 1.00 1.30 C ATOM 1224 CD LYS A 77 21.015 2.218 -0.436 1.00 1.57 C ATOM 1225 CE LYS A 77 21.460 3.309 -1.394 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.447 4.393 -1.487 1.00 2.60 N ATOM 0 H LYS A 77 18.186 3.312 3.308 1.00 0.50 H new ATOM 0 HA LYS A 77 18.459 2.379 0.499 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.245 2.052 2.897 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.206 0.825 1.646 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.683 3.757 1.024 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.988 2.659 1.427 1.00 1.30 H new ATOM 0 HD2 LYS A 77 21.690 1.366 -0.515 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.023 1.866 -0.720 1.00 1.57 H new ATOM 0 HE2 LYS A 77 22.410 3.724 -1.059 1.00 2.24 H new ATOM 0 HE3 LYS A 77 21.630 2.881 -2.382 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 20.564 4.901 -2.387 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 19.493 3.981 -1.443 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.575 5.056 -0.696 1.00 2.60 H new ATOM 1240 N TYR A 78 17.069 0.377 1.023 1.00 0.45 N ATOM 1241 CA TYR A 78 15.962 -0.515 1.327 1.00 0.47 C ATOM 1242 C TYR A 78 16.129 -1.902 0.737 1.00 0.52 C ATOM 1243 O TYR A 78 16.871 -2.106 -0.221 1.00 0.59 O ATOM 1244 CB TYR A 78 14.664 0.098 0.811 1.00 0.48 C ATOM 1245 CG TYR A 78 14.440 1.493 1.325 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.985 1.703 2.614 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.705 2.599 0.529 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.798 2.975 3.103 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.516 3.876 1.010 1.00 0.99 C ATOM 1250 CZ TYR A 78 14.064 4.057 2.299 1.00 1.17 C ATOM 1251 OH TYR A 78 13.881 5.320 2.785 1.00 1.44 O ATOM 0 H TYR A 78 17.323 0.428 0.037 1.00 0.45 H new ATOM 0 HA TYR A 78 15.938 -0.632 2.410 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.682 0.115 -0.279 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.826 -0.533 1.106 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.773 0.854 3.247 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.064 2.457 -0.480 1.00 0.74 H new ATOM 0 HE1 TYR A 78 13.444 3.122 4.113 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.721 4.730 0.381 1.00 0.99 H new ATOM 0 HH TYR A 78 13.413 5.275 3.645 1.00 1.44 H new ATOM 1261 N LYS A 79 15.420 -2.842 1.340 1.00 0.53 N ATOM 1262 CA LYS A 79 15.311 -4.193 0.826 1.00 0.58 C ATOM 1263 C LYS A 79 13.835 -4.577 0.797 1.00 0.46 C ATOM 1264 O LYS A 79 13.052 -4.101 1.625 1.00 0.47 O ATOM 1265 CB LYS A 79 16.126 -5.160 1.693 1.00 0.78 C ATOM 1266 CG LYS A 79 16.211 -6.575 1.145 1.00 1.39 C ATOM 1267 CD LYS A 79 17.359 -7.352 1.781 1.00 2.02 C ATOM 1268 CE LYS A 79 17.178 -7.527 3.283 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.036 -8.419 3.610 1.00 3.52 N ATOM 0 H LYS A 79 14.902 -2.686 2.205 1.00 0.53 H new ATOM 0 HA LYS A 79 15.716 -4.249 -0.185 1.00 0.58 H new ATOM 0 HB2 LYS A 79 17.136 -4.765 1.805 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.685 -5.195 2.689 1.00 0.78 H new ATOM 0 HG2 LYS A 79 15.271 -7.095 1.330 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.348 -6.540 0.064 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.436 -8.332 1.310 1.00 2.02 H new ATOM 0 HD3 LYS A 79 18.297 -6.832 1.589 1.00 2.02 H new ATOM 0 HE2 LYS A 79 18.092 -7.938 3.712 1.00 2.63 H new ATOM 0 HE3 LYS A 79 17.019 -6.552 3.744 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 15.992 -8.564 4.639 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 15.150 -7.983 3.283 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 16.165 -9.336 3.137 1.00 3.52 H new ATOM 1283 N LEU A 80 13.453 -5.398 -0.168 1.00 0.45 N ATOM 1284 CA LEU A 80 12.050 -5.715 -0.391 1.00 0.41 C ATOM 1285 C LEU A 80 11.587 -6.848 0.529 1.00 0.42 C ATOM 1286 O LEU A 80 12.359 -7.743 0.874 1.00 0.49 O ATOM 1287 CB LEU A 80 11.846 -6.069 -1.874 1.00 0.50 C ATOM 1288 CG LEU A 80 10.409 -6.005 -2.408 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.690 -7.324 -2.216 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.639 -4.881 -1.739 1.00 0.74 C ATOM 0 H LEU A 80 14.096 -5.859 -0.812 1.00 0.45 H new ATOM 0 HA LEU A 80 11.439 -4.846 -0.148 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.461 -5.396 -2.472 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.225 -7.078 -2.038 1.00 0.50 H new ATOM 0 HG LEU A 80 10.462 -5.804 -3.478 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.675 -7.245 -2.605 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.223 -8.110 -2.751 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.654 -7.568 -1.154 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.622 -4.852 -2.131 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.608 -5.052 -0.663 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.133 -3.931 -1.942 1.00 0.74 H new ATOM 1302 N LYS A 81 10.316 -6.800 0.905 1.00 0.40 N ATOM 1303 CA LYS A 81 9.726 -7.771 1.820 1.00 0.44 C ATOM 1304 C LYS A 81 8.457 -8.351 1.212 1.00 0.38 C ATOM 1305 O LYS A 81 7.465 -7.644 1.031 1.00 0.36 O ATOM 1306 CB LYS A 81 9.405 -7.098 3.160 1.00 0.49 C ATOM 1307 CG LYS A 81 8.578 -7.947 4.116 1.00 0.60 C ATOM 1308 CD LYS A 81 8.128 -7.131 5.319 1.00 0.71 C ATOM 1309 CE LYS A 81 7.174 -7.910 6.210 1.00 1.18 C ATOM 1310 NZ LYS A 81 6.662 -7.078 7.335 1.00 1.87 N ATOM 0 H LYS A 81 9.663 -6.085 0.584 1.00 0.40 H new ATOM 0 HA LYS A 81 10.439 -8.578 1.991 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.341 -6.830 3.650 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.870 -6.168 2.965 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.707 -8.344 3.595 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.166 -8.802 4.451 1.00 0.60 H new ATOM 0 HD2 LYS A 81 9.000 -6.828 5.899 1.00 0.71 H new ATOM 0 HD3 LYS A 81 7.641 -6.218 4.976 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.336 -8.272 5.615 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.684 -8.787 6.609 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.015 -7.645 7.919 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.460 -6.753 7.918 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 6.153 -6.255 6.954 1.00 1.87 H new ATOM 1324 N LYS A 82 8.502 -9.630 0.882 1.00 0.40 N ATOM 1325 CA LYS A 82 7.389 -10.292 0.223 1.00 0.37 C ATOM 1326 C LYS A 82 6.500 -11.011 1.227 1.00 0.36 C ATOM 1327 O LYS A 82 6.969 -11.844 2.006 1.00 0.46 O ATOM 1328 CB LYS A 82 7.923 -11.295 -0.792 1.00 0.47 C ATOM 1329 CG LYS A 82 8.833 -10.669 -1.828 1.00 0.54 C ATOM 1330 CD LYS A 82 9.540 -11.730 -2.646 1.00 0.76 C ATOM 1331 CE LYS A 82 10.425 -11.113 -3.715 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.238 -12.135 -4.418 1.00 1.10 N ATOM 0 H LYS A 82 9.304 -10.235 1.061 1.00 0.40 H new ATOM 0 HA LYS A 82 6.790 -9.533 -0.280 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.467 -12.079 -0.266 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.084 -11.773 -1.297 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.250 -10.026 -2.487 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.570 -10.035 -1.334 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.144 -12.355 -1.988 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.802 -12.381 -3.115 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.805 -10.582 -4.438 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.085 -10.375 -3.259 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.828 -11.673 -5.139 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.848 -12.624 -3.733 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.608 -12.825 -4.875 1.00 1.10 H new ATOM 1346 N SER A 83 5.220 -10.681 1.217 1.00 0.31 N ATOM 1347 CA SER A 83 4.256 -11.350 2.071 1.00 0.36 C ATOM 1348 C SER A 83 2.891 -11.394 1.397 1.00 0.31 C ATOM 1349 O SER A 83 2.467 -10.420 0.775 1.00 0.50 O ATOM 1350 CB SER A 83 4.154 -10.630 3.419 1.00 0.46 C ATOM 1351 OG SER A 83 5.412 -10.589 4.073 1.00 1.12 O ATOM 0 H SER A 83 4.824 -9.951 0.625 1.00 0.31 H new ATOM 0 HA SER A 83 4.594 -12.372 2.242 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.787 -9.615 3.266 1.00 0.46 H new ATOM 0 HB3 SER A 83 3.428 -11.139 4.053 1.00 0.46 H new ATOM 0 HG SER A 83 5.320 -10.123 4.930 1.00 1.12 H new ATOM 1357 N THR A 84 2.223 -12.530 1.489 1.00 0.25 N ATOM 1358 CA THR A 84 0.850 -12.634 1.042 1.00 0.23 C ATOM 1359 C THR A 84 -0.059 -12.566 2.259 1.00 0.22 C ATOM 1360 O THR A 84 -0.042 -13.461 3.102 1.00 0.29 O ATOM 1361 CB THR A 84 0.613 -13.952 0.282 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.757 -14.252 -0.535 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.622 -13.855 -0.602 1.00 0.27 C ATOM 0 H THR A 84 2.611 -13.393 1.870 1.00 0.25 H new ATOM 0 HA THR A 84 0.632 -11.813 0.359 1.00 0.23 H new ATOM 0 HB THR A 84 0.459 -14.745 1.013 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.604 -15.092 -1.016 1.00 0.35 H new ATOM 0 HG21 THR A 84 -0.768 -14.798 -1.128 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.496 -13.645 0.015 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.488 -13.052 -1.327 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.826 -11.496 2.367 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.646 -11.277 3.547 1.00 0.18 C ATOM 1373 C ASN A 85 -2.799 -10.350 3.217 1.00 0.17 C ATOM 1374 O ASN A 85 -2.751 -9.609 2.234 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.817 -10.668 4.678 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.330 -11.045 6.059 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.512 -11.331 6.248 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.440 -11.036 7.039 1.00 0.37 N ATOM 0 H ASN A 85 -0.899 -10.768 1.656 1.00 0.18 H new ATOM 0 HA ASN A 85 -2.034 -12.242 3.872 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.218 -10.995 4.579 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.819 -9.582 4.579 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.726 -11.271 7.989 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.531 -10.794 6.844 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.836 -10.416 4.025 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.953 -9.505 3.912 1.00 0.19 C ATOM 1387 C LYS A 86 -4.538 -8.159 4.481 1.00 0.18 C ATOM 1388 O LYS A 86 -3.433 -8.027 5.002 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.147 -10.065 4.682 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.300 -11.564 4.517 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.566 -12.078 5.158 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.658 -13.588 5.033 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.866 -14.133 5.701 1.00 1.17 N ATOM 0 H LYS A 86 -3.928 -11.100 4.776 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.241 -9.384 2.868 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -6.034 -9.830 5.740 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -7.057 -9.572 4.341 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.304 -11.813 3.456 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.440 -12.067 4.959 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.588 -11.794 6.210 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.432 -11.616 4.685 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.673 -13.863 3.978 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.768 -14.042 5.469 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.710 -15.134 5.937 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -9.053 -13.597 6.572 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.683 -14.051 5.062 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.389 -7.159 4.377 1.00 0.17 N ATOM 1408 CA PHE A 87 -5.086 -5.870 4.972 1.00 0.18 C ATOM 1409 C PHE A 87 -6.351 -5.081 5.247 1.00 0.18 C ATOM 1410 O PHE A 87 -7.352 -5.217 4.542 1.00 0.19 O ATOM 1411 CB PHE A 87 -4.113 -5.069 4.095 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.527 -4.915 2.656 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.441 -3.944 2.278 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.988 -5.735 1.680 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.812 -3.797 0.954 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.352 -5.591 0.357 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.265 -4.624 -0.010 1.00 0.20 C ATOM 0 H PHE A 87 -6.285 -7.210 3.893 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.596 -6.054 5.928 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.990 -4.077 4.529 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.137 -5.554 4.126 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.869 -3.294 3.027 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.274 -6.497 1.957 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.527 -3.038 0.673 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.921 -6.237 -0.393 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.551 -4.513 -1.045 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.313 -4.287 6.303 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.444 -3.462 6.663 1.00 0.20 C ATOM 1429 C CYS A 88 -7.211 -2.054 6.140 1.00 0.20 C ATOM 1430 O CYS A 88 -6.164 -1.455 6.397 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.643 -3.437 8.184 1.00 0.25 C ATOM 1432 SG CYS A 88 -9.315 -2.923 8.702 1.00 0.49 S ATOM 0 H CYS A 88 -5.509 -4.199 6.924 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.347 -3.879 6.217 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.439 -4.430 8.584 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.912 -2.759 8.625 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.166 -1.538 5.392 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.063 -0.194 4.853 1.00 0.22 C ATOM 1439 C VAL A 89 -9.134 0.701 5.453 1.00 0.24 C ATOM 1440 O VAL A 89 -10.216 0.235 5.813 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.170 -0.178 3.307 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.888 -0.704 2.682 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.369 -0.996 2.831 1.00 0.20 C ATOM 0 H VAL A 89 -9.024 -2.029 5.143 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.078 0.187 5.123 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.317 0.854 2.989 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.979 -0.686 1.596 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.051 -0.076 2.986 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.714 -1.727 3.015 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.420 -0.967 1.743 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.259 -2.029 3.162 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.284 -0.576 3.248 1.00 0.20 H new ATOM 1453 N THR A 90 -8.822 1.978 5.598 1.00 0.26 N ATOM 1454 CA THR A 90 -9.804 2.930 6.066 1.00 0.28 C ATOM 1455 C THR A 90 -10.547 3.499 4.866 1.00 0.25 C ATOM 1456 O THR A 90 -9.990 4.289 4.094 1.00 0.25 O ATOM 1457 CB THR A 90 -9.150 4.076 6.862 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.307 3.535 7.886 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.206 4.975 7.491 1.00 0.40 C ATOM 0 H THR A 90 -7.903 2.373 5.399 1.00 0.26 H new ATOM 0 HA THR A 90 -10.494 2.415 6.734 1.00 0.28 H new ATOM 0 HB THR A 90 -8.554 4.674 6.173 1.00 0.33 H new ATOM 0 HG1 THR A 90 -7.892 4.267 8.389 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.718 5.776 8.047 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.831 5.405 6.708 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.826 4.388 8.169 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.787 3.079 4.696 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.563 3.465 3.532 1.00 0.22 C ATOM 1469 C CYS A 91 -13.422 4.688 3.799 1.00 0.25 C ATOM 1470 O CYS A 91 -14.134 4.748 4.799 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.437 2.297 3.106 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.490 0.784 2.778 1.00 0.20 S ATOM 0 H CYS A 91 -12.279 2.470 5.350 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.869 3.727 2.733 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.172 2.097 3.886 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -13.991 2.574 2.209 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.339 5.660 2.902 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.197 6.832 2.953 1.00 0.29 C ATOM 1479 C GLU A 92 -14.518 7.268 1.525 1.00 0.27 C ATOM 1480 O GLU A 92 -13.635 7.289 0.671 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.523 7.971 3.721 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.509 8.872 4.449 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.895 10.173 4.909 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.845 11.133 4.113 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.493 10.257 6.087 1.00 0.76 O ATOM 0 H GLU A 92 -12.679 5.658 2.124 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.118 6.581 3.479 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.825 7.549 4.444 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.937 8.572 3.026 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.350 9.087 3.790 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.908 8.340 5.313 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.788 7.584 1.270 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.260 7.960 -0.072 1.00 0.31 C ATOM 1494 C ASN A 93 -16.019 6.822 -1.059 1.00 0.28 C ATOM 1495 O ASN A 93 -15.830 7.040 -2.260 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.576 9.237 -0.573 1.00 0.35 C ATOM 1497 CG ASN A 93 -15.723 10.399 0.389 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -16.713 11.129 0.358 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -14.726 10.589 1.238 1.00 0.65 N ATOM 0 H ASN A 93 -16.519 7.588 1.981 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.330 8.155 -0.001 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.517 9.037 -0.734 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.999 9.515 -1.539 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -14.760 11.364 1.900 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -13.923 9.960 1.231 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.040 5.606 -0.523 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.869 4.379 -1.292 1.00 0.25 C ATOM 1508 C GLN A 94 -14.454 4.247 -1.835 1.00 0.22 C ATOM 1509 O GLN A 94 -14.205 3.483 -2.771 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.883 4.289 -2.429 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.318 4.490 -1.976 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.321 4.065 -3.022 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.445 3.693 -2.701 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.906 4.072 -4.272 1.00 0.48 N ATOM 0 H GLN A 94 -16.179 5.443 0.474 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.046 3.550 -0.607 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.640 5.038 -3.183 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.795 3.314 -2.908 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.489 3.922 -1.061 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.475 5.541 -1.733 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.963 4.390 -4.494 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.528 3.760 -5.018 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.526 4.966 -1.232 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.135 4.895 -1.638 1.00 0.19 C ATOM 1525 C ALA A 95 -11.218 4.714 -0.434 1.00 0.17 C ATOM 1526 O ALA A 95 -11.401 5.358 0.603 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.750 6.142 -2.422 1.00 0.21 C ATOM 0 H ALA A 95 -13.710 5.606 -0.459 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.014 4.024 -2.283 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.704 6.076 -2.720 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.376 6.221 -3.310 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.894 7.023 -1.797 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.262 3.779 -0.537 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.205 3.616 0.463 1.00 0.17 C ATOM 1535 C PRO A 96 -8.338 4.867 0.565 1.00 0.19 C ATOM 1536 O PRO A 96 -7.539 5.150 -0.324 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.373 2.435 -0.057 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.222 1.755 -1.076 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.163 2.790 -1.622 1.00 0.17 C ATOM 0 HA PRO A 96 -9.611 3.447 1.460 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.437 2.780 -0.496 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.113 1.753 0.753 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.607 1.334 -1.872 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.774 0.929 -0.629 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.778 3.238 -2.538 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.136 2.360 -1.862 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.516 5.633 1.633 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.767 6.872 1.808 1.00 0.24 C ATOM 1549 C VAL A 97 -6.673 6.717 2.858 1.00 0.27 C ATOM 1550 O VAL A 97 -5.737 7.513 2.919 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.692 8.045 2.196 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.661 8.360 1.064 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.450 7.726 3.474 1.00 0.35 C ATOM 0 H VAL A 97 -9.168 5.421 2.388 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.304 7.096 0.847 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.074 8.925 2.373 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.305 9.190 1.356 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.100 8.633 0.170 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.273 7.483 0.854 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.097 8.564 3.732 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.056 6.833 3.324 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.741 7.552 4.284 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.792 5.690 3.683 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.811 5.435 4.729 1.00 0.35 C ATOM 1565 C HIS A 98 -5.563 3.942 4.872 1.00 0.31 C ATOM 1566 O HIS A 98 -6.467 3.131 4.663 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.272 6.018 6.070 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.029 7.492 6.219 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -4.837 8.010 6.671 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.837 8.555 5.996 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -4.922 9.326 6.724 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.127 9.686 6.319 1.00 0.82 N ATOM 0 H HIS A 98 -7.558 5.018 3.650 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.881 5.925 4.442 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.338 5.823 6.190 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.759 5.494 6.876 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.853 8.520 5.631 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -4.138 9.996 7.045 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.472 10.644 6.257 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.342 3.583 5.227 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.981 2.186 5.395 1.00 0.29 C ATOM 1583 C PHE A 99 -3.854 1.863 6.877 1.00 0.29 C ATOM 1584 O PHE A 99 -3.196 2.587 7.621 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.669 1.887 4.665 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.370 0.422 4.540 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -3.030 -0.360 3.608 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.425 -0.172 5.361 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.754 -1.710 3.498 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -1.144 -1.519 5.256 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.822 -2.291 4.297 1.00 0.31 C ATOM 0 H PHE A 99 -3.583 4.240 5.405 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.763 1.560 4.964 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.709 2.327 3.669 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.850 2.372 5.195 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.768 0.089 2.960 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.902 0.427 6.092 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.284 -2.308 2.771 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.411 -1.975 5.904 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.602 -3.344 4.196 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.491 0.785 7.305 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.488 0.407 8.711 1.00 0.28 C ATOM 1603 C VAL A 100 -3.338 -0.555 9.014 1.00 0.28 C ATOM 1604 O VAL A 100 -2.416 -0.226 9.764 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.831 -0.247 9.109 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.827 -0.650 10.574 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.997 0.690 8.805 1.00 0.29 C ATOM 0 H VAL A 100 -5.017 0.155 6.699 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.351 1.316 9.296 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.957 -1.152 8.514 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.783 -1.108 10.828 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.024 -1.365 10.753 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.671 0.233 11.194 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.933 0.211 9.092 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.876 1.616 9.367 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.016 0.913 7.738 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.396 -1.735 8.423 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.369 -2.735 8.635 1.00 0.29 C ATOM 1619 C GLY A 101 -2.700 -4.009 7.905 1.00 0.25 C ATOM 1620 O GLY A 101 -3.760 -4.101 7.287 1.00 0.28 O ATOM 0 H GLY A 101 -4.144 -2.023 7.793 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.408 -2.353 8.291 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.268 -2.938 9.701 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.823 -4.995 7.980 1.00 0.25 N ATOM 1625 CA VAL A 102 -2.033 -6.229 7.244 1.00 0.22 C ATOM 1626 C VAL A 102 -2.551 -7.323 8.172 1.00 0.24 C ATOM 1627 O VAL A 102 -2.355 -7.271 9.389 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.757 -6.714 6.508 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.045 -5.535 5.971 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.102 -7.604 7.392 1.00 0.25 C ATOM 0 H VAL A 102 -0.968 -4.967 8.536 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.781 -6.014 6.481 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.081 -7.318 5.660 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.934 -5.903 5.459 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.568 -4.967 5.271 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.343 -4.890 6.798 1.00 0.27 H new ATOM 0 HG21 VAL A 102 0.986 -7.922 6.839 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.409 -7.049 8.278 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.472 -8.480 7.694 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.234 -8.288 7.590 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.806 -9.371 8.356 1.00 0.29 C ATOM 1642 C GLY A 103 -5.201 -9.037 8.830 1.00 0.28 C ATOM 1643 O GLY A 103 -6.177 -9.641 8.396 1.00 0.34 O ATOM 0 H GLY A 103 -3.405 -8.342 6.586 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.834 -10.274 7.746 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -3.170 -9.586 9.215 1.00 0.29 H new ATOM 1647 N SER A 104 -5.277 -8.063 9.721 1.00 0.33 N ATOM 1648 CA SER A 104 -6.529 -7.561 10.246 1.00 0.32 C ATOM 1649 C SER A 104 -6.271 -6.224 10.926 1.00 0.39 C ATOM 1650 O SER A 104 -5.115 -5.861 11.153 1.00 0.59 O ATOM 1651 CB SER A 104 -7.113 -8.570 11.229 1.00 0.45 C ATOM 1652 OG SER A 104 -6.115 -9.062 12.110 1.00 1.38 O ATOM 0 H SER A 104 -4.456 -7.594 10.104 1.00 0.33 H new ATOM 0 HA SER A 104 -7.249 -7.417 9.441 1.00 0.32 H new ATOM 0 HB2 SER A 104 -7.911 -8.101 11.804 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.560 -9.400 10.681 1.00 0.45 H new ATOM 0 HG SER A 104 -6.515 -9.706 12.731 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.319 -5.478 11.227 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.153 -4.229 11.942 1.00 0.53 C ATOM 1660 C CYS A 105 -7.336 -4.439 13.438 1.00 0.48 C ATOM 1661 O CYS A 105 -8.496 -4.513 13.892 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.108 -3.162 11.426 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.546 -3.797 10.516 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.317 -4.551 14.148 1.00 1.20 O ATOM 0 H CYS A 105 -8.283 -5.713 10.990 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.137 -3.877 11.765 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -8.463 -2.573 12.272 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -7.555 -2.484 10.775 1.00 0.82 H new TER 1669 CYS A 105