USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 122 LYS NZ :NH3+ 151:sc= 0.0241 (180deg=0) USER MOD Set 1.2: A 123 TYR OH : rot 180:sc= 0.0244 USER MOD Set 2.1: A 74 SER OG : rot -52:sc= 0.248 USER MOD Set 2.2: A 86 SER OG : rot -81:sc= 0.261 USER MOD Set 3.1: A 8 MET CE :methyl -120:sc= -5.37 (180deg=-8.53!) USER MOD Set 3.2: A 73 TYR OH : rot 155:sc= -0.528 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.24 K(o=0.5,f=-0.19) USER MOD Set 4.2: A 70 THR OG1 : rot -123:sc= 0.264 USER MOD Set 5.1: A 60 SER OG : rot 140:sc= 0.0217 USER MOD Set 5.2: A 89 ASN : amide:sc= -0.63 K(o=-0.61,f=-1.7) USER MOD Single : A 1 ALA N :NH3+ -126:sc= -1.07 (180deg=-4.08!) USER MOD Single : A 4 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.38) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-0.15) USER MOD Single : A 20 MET CE :methyl -140:sc= -0.153 (180deg=-0.609) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 TYR OH : rot -81:sc= 1.24 USER MOD Single : A 28 TYR OH : rot 134:sc= 0.914 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -2.06 X(o=-2.1,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= 0.297 K(o=0.3,f=-0.83) USER MOD Single : A 52 TYR OH : rot 56:sc= 0.685 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 0:sc= -0.3 USER MOD Single : A 72 SER OG : rot -99:sc= -0.391 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00613 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.8) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot -80:sc= 0.944 USER MOD Single : A 108 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.113) USER MOD Single : A 111 TYR OH : rot 180:sc= 1.44 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -2.58 X(o=-2.6,f=-2.8) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 46:sc= 0.243 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.855 1.184 3.726 1.00 0.00 N ATOM 2 CA ALA A 1 -7.426 2.379 4.471 1.00 0.00 C ATOM 3 C ALA A 1 -5.933 2.326 4.759 1.00 0.00 C ATOM 4 O ALA A 1 -5.323 1.274 4.941 1.00 0.00 O ATOM 5 CB ALA A 1 -8.172 2.597 5.787 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.352 1.475 2.860 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.022 0.615 3.473 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.495 0.617 4.318 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.667 3.220 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.796 3.497 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.237 2.710 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.015 1.739 6.441 1.00 0.00 H new ATOM 6 N LEU A 2 -5.363 3.522 4.793 1.00 0.00 N ATOM 7 CA LEU A 2 -3.914 3.719 4.810 1.00 0.00 C ATOM 8 C LEU A 2 -3.339 3.835 6.209 1.00 0.00 C ATOM 9 O LEU A 2 -2.543 2.977 6.554 1.00 0.00 O ATOM 10 CB LEU A 2 -3.717 4.917 3.893 1.00 0.00 C ATOM 11 CG LEU A 2 -2.332 5.220 3.363 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.469 6.097 4.249 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.596 3.987 2.903 1.00 0.00 C ATOM 0 H LEU A 2 -5.894 4.392 4.810 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.347 2.862 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.375 4.785 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.064 5.801 4.428 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.531 5.834 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.500 6.251 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.958 7.060 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.328 5.612 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.610 4.268 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.487 3.295 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.158 3.505 2.104 1.00 0.00 H new ATOM 14 N TRP A 3 -3.727 4.823 7.037 1.00 0.00 N ATOM 15 CA TRP A 3 -3.396 4.803 8.499 1.00 0.00 C ATOM 16 C TRP A 3 -3.784 3.486 9.258 1.00 0.00 C ATOM 17 O TRP A 3 -3.099 3.073 10.196 1.00 0.00 O ATOM 18 CB TRP A 3 -4.054 6.019 9.216 1.00 0.00 C ATOM 19 CG TRP A 3 -5.635 5.988 9.328 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.390 5.318 10.330 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.586 6.326 8.366 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.756 5.245 10.031 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.855 5.843 8.799 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.441 6.850 7.055 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -8.959 5.870 7.908 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.552 6.927 6.229 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.799 6.444 6.653 1.00 0.00 C ATOM 0 H TRP A 3 -4.262 5.638 6.738 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.308 4.858 8.537 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.640 6.090 10.222 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.765 6.927 8.687 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.954 4.908 11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.503 4.842 10.596 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.476 7.185 6.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.910 5.450 8.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.456 7.365 5.246 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.650 6.520 5.992 1.00 0.00 H new ATOM 28 N GLN A 4 -4.897 2.890 8.815 1.00 0.00 N ATOM 29 CA GLN A 4 -5.457 1.661 9.366 1.00 0.00 C ATOM 30 C GLN A 4 -4.778 0.380 8.833 1.00 0.00 C ATOM 31 O GLN A 4 -4.720 -0.575 9.611 1.00 0.00 O ATOM 32 CB GLN A 4 -6.986 1.681 9.143 1.00 0.00 C ATOM 33 CG GLN A 4 -7.789 1.530 10.449 1.00 0.00 C ATOM 34 CD GLN A 4 -9.299 1.730 10.288 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.780 2.502 9.457 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.088 1.051 11.102 1.00 0.00 N ATOM 0 H GLN A 4 -5.445 3.264 8.041 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.252 1.629 10.436 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.264 2.617 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.258 0.876 8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.608 0.537 10.860 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.415 2.250 11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.685 0.413 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.100 1.165 11.044 1.00 0.00 H new ATOM 37 N PHE A 5 -4.279 0.330 7.556 1.00 0.00 N ATOM 38 CA PHE A 5 -3.385 -0.786 7.122 1.00 0.00 C ATOM 39 C PHE A 5 -1.942 -0.623 7.644 1.00 0.00 C ATOM 40 O PHE A 5 -1.330 -1.616 8.010 1.00 0.00 O ATOM 41 CB PHE A 5 -3.525 -1.214 5.650 1.00 0.00 C ATOM 42 CG PHE A 5 -2.455 -0.901 4.605 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.050 0.399 4.374 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.840 -1.919 3.868 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.070 0.684 3.429 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.895 -1.629 2.880 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.508 -0.321 2.665 1.00 0.00 C ATOM 0 H PHE A 5 -4.474 1.025 6.835 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.765 -1.673 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.656 -2.296 5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.456 -0.780 5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.500 1.205 4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.100 -2.948 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.744 1.704 3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.469 -2.425 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.226 -0.086 1.908 1.00 0.00 H new ATOM 48 N ARG A 6 -1.434 0.608 7.688 1.00 0.00 N ATOM 49 CA ARG A 6 -0.158 0.990 8.316 1.00 0.00 C ATOM 50 C ARG A 6 0.181 0.445 9.715 1.00 0.00 C ATOM 51 O ARG A 6 1.326 0.132 10.011 1.00 0.00 O ATOM 52 CB ARG A 6 -0.147 2.516 8.373 1.00 0.00 C ATOM 53 CG ARG A 6 0.427 3.273 7.183 1.00 0.00 C ATOM 54 CD ARG A 6 0.452 2.753 5.747 1.00 0.00 C ATOM 55 NE ARG A 6 1.600 1.923 5.310 1.00 0.00 N ATOM 56 CZ ARG A 6 2.096 1.879 4.048 1.00 0.00 C ATOM 57 NH1 ARG A 6 1.665 2.631 3.039 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.076 1.042 3.779 1.00 0.00 N ATOM 0 H ARG A 6 -1.916 1.404 7.271 1.00 0.00 H new ATOM 0 HA ARG A 6 0.608 0.528 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.174 2.852 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.414 2.813 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.104 4.224 7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.463 3.495 7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.456 2.170 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.395 3.615 5.082 1.00 0.00 H new ATOM 0 HE ARG A 6 2.052 1.339 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.909 3.300 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.090 2.539 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.449 0.441 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.462 0.995 2.836 1.00 0.00 H new ATOM 59 N SER A 7 -0.830 0.317 10.563 1.00 0.00 N ATOM 60 CA SER A 7 -0.569 -0.203 11.975 1.00 0.00 C ATOM 61 C SER A 7 -0.158 -1.706 12.132 1.00 0.00 C ATOM 62 O SER A 7 0.598 -2.137 12.999 1.00 0.00 O ATOM 63 CB SER A 7 -1.722 0.209 12.899 1.00 0.00 C ATOM 64 OG SER A 7 -1.410 -0.040 14.267 1.00 0.00 O ATOM 0 H SER A 7 -1.802 0.542 10.353 1.00 0.00 H new ATOM 0 HA SER A 7 0.354 0.287 12.285 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.939 1.268 12.761 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.623 -0.339 12.625 1.00 0.00 H new ATOM 0 HG SER A 7 -2.164 0.235 14.830 1.00 0.00 H new ATOM 65 N MET A 8 -0.718 -2.420 11.217 1.00 0.00 N ATOM 66 CA MET A 8 -0.541 -3.809 10.845 1.00 0.00 C ATOM 67 C MET A 8 0.517 -4.003 9.699 1.00 0.00 C ATOM 68 O MET A 8 0.934 -5.133 9.499 1.00 0.00 O ATOM 69 CB MET A 8 -1.973 -4.323 10.530 1.00 0.00 C ATOM 70 CG MET A 8 -3.089 -3.273 10.257 1.00 0.00 C ATOM 71 SD MET A 8 -4.444 -3.994 9.384 1.00 0.00 S ATOM 72 CE MET A 8 -3.596 -4.180 7.844 1.00 0.00 C ATOM 0 H MET A 8 -1.419 -1.988 10.615 1.00 0.00 H new ATOM 0 HA MET A 8 -0.102 -4.406 11.644 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.908 -4.974 9.658 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.296 -4.942 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.441 -2.858 11.202 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.679 -2.445 9.678 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.116 -3.613 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.576 -3.808 7.943 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.572 -5.234 7.567 1.00 0.00 H new ATOM 73 N ILE A 9 0.981 -2.956 8.976 1.00 0.00 N ATOM 74 CA ILE A 9 2.219 -2.971 8.106 1.00 0.00 C ATOM 75 C ILE A 9 3.440 -3.017 9.056 1.00 0.00 C ATOM 76 O ILE A 9 4.233 -3.939 8.930 1.00 0.00 O ATOM 77 CB ILE A 9 2.172 -1.752 7.136 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.011 -1.907 6.118 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.434 -1.256 6.386 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.432 -2.502 4.803 1.00 0.00 C ATOM 0 H ILE A 9 0.508 -2.052 8.969 1.00 0.00 H new ATOM 0 HA ILE A 9 2.287 -3.844 7.457 1.00 0.00 H new ATOM 0 HB ILE A 9 2.035 -0.957 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.236 -2.534 6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.566 -0.929 5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.175 -0.398 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.196 -0.964 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.820 -2.056 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.567 -2.579 4.145 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.185 -1.865 4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.850 -3.495 4.970 1.00 0.00 H new ATOM 81 N LYS A 10 3.558 -2.130 10.057 1.00 0.00 N ATOM 82 CA LYS A 10 4.546 -2.266 11.154 1.00 0.00 C ATOM 83 C LYS A 10 4.370 -3.491 12.116 1.00 0.00 C ATOM 84 O LYS A 10 5.226 -3.669 12.984 1.00 0.00 O ATOM 85 CB LYS A 10 4.603 -0.869 11.777 1.00 0.00 C ATOM 86 CG LYS A 10 3.411 -0.356 12.564 1.00 0.00 C ATOM 87 CD LYS A 10 3.320 -1.028 13.927 1.00 0.00 C ATOM 88 CE LYS A 10 2.476 -0.254 14.933 1.00 0.00 C ATOM 89 NZ LYS A 10 2.353 -0.989 16.203 1.00 0.00 N ATOM 0 H LYS A 10 2.974 -1.297 10.134 1.00 0.00 H new ATOM 0 HA LYS A 10 5.527 -2.561 10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.469 -0.841 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.794 -0.159 10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.494 0.723 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.495 -0.540 12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.899 -2.026 13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.325 -1.154 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.927 0.721 15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.485 -0.073 14.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.773 -0.438 16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.900 -1.909 16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.298 -1.140 16.610 1.00 0.00 H new ATOM 90 N CYS A 11 3.286 -4.299 11.985 1.00 0.00 N ATOM 91 CA CYS A 11 3.188 -5.668 12.566 1.00 0.00 C ATOM 92 C CYS A 11 3.689 -6.724 11.517 1.00 0.00 C ATOM 93 O CYS A 11 4.511 -7.566 11.878 1.00 0.00 O ATOM 94 CB CYS A 11 1.747 -5.938 13.006 1.00 0.00 C ATOM 95 SG CYS A 11 1.624 -7.423 14.002 1.00 0.00 S ATOM 0 H CYS A 11 2.450 -4.020 11.471 1.00 0.00 H new ATOM 0 HA CYS A 11 3.825 -5.748 13.447 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.375 -5.086 13.575 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.110 -6.036 12.127 1.00 0.00 H new ATOM 96 N ALA A 12 3.233 -6.627 10.239 1.00 0.00 N ATOM 97 CA ALA A 12 3.826 -7.306 9.048 1.00 0.00 C ATOM 98 C ALA A 12 5.365 -7.344 8.958 1.00 0.00 C ATOM 99 O ALA A 12 5.965 -8.381 8.666 1.00 0.00 O ATOM 100 CB ALA A 12 3.101 -6.825 7.782 1.00 0.00 C ATOM 0 H ALA A 12 2.420 -6.059 9.999 1.00 0.00 H new ATOM 0 HA ALA A 12 3.641 -8.373 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.529 -7.317 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.041 -7.071 7.854 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.217 -5.746 7.684 1.00 0.00 H new ATOM 101 N ILE A 13 5.974 -6.222 9.297 1.00 0.00 N ATOM 102 CA ILE A 13 7.413 -6.065 9.542 1.00 0.00 C ATOM 103 C ILE A 13 7.474 -6.206 11.103 1.00 0.00 C ATOM 104 O ILE A 13 6.633 -5.598 11.775 1.00 0.00 O ATOM 105 CB ILE A 13 7.695 -4.629 8.976 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.600 -4.616 7.413 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.005 -3.966 9.400 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.271 -4.113 6.877 1.00 0.00 C ATOM 0 H ILE A 13 5.462 -5.348 9.417 1.00 0.00 H new ATOM 0 HA ILE A 13 8.137 -6.748 9.097 1.00 0.00 H new ATOM 0 HB ILE A 13 6.910 -4.027 9.434 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.400 -3.991 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.771 -5.626 7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.079 -2.980 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.027 -3.864 10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.845 -4.580 9.076 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.286 -4.135 5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.466 -4.752 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.105 -3.091 7.217 1.00 0.00 H new ATOM 109 N PRO A 14 8.381 -6.972 11.763 1.00 0.00 N ATOM 110 CA PRO A 14 8.568 -6.933 13.296 1.00 0.00 C ATOM 111 C PRO A 14 8.541 -5.478 13.830 1.00 0.00 C ATOM 112 O PRO A 14 7.647 -5.109 14.594 1.00 0.00 O ATOM 113 CB PRO A 14 9.861 -7.743 13.531 1.00 0.00 C ATOM 114 CG PRO A 14 10.012 -8.561 12.223 1.00 0.00 C ATOM 115 CD PRO A 14 9.556 -7.576 11.132 1.00 0.00 C ATOM 0 HA PRO A 14 7.758 -7.383 13.870 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.719 -7.092 13.699 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.777 -8.391 14.403 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.041 -8.884 12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.395 -9.459 12.237 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.323 -6.837 10.899 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.307 -8.082 10.199 1.00 0.00 H new ATOM 116 N GLY A 15 9.423 -4.645 13.248 1.00 0.00 N ATOM 117 CA GLY A 15 8.941 -3.382 12.659 1.00 0.00 C ATOM 118 C GLY A 15 8.564 -2.203 13.527 1.00 0.00 C ATOM 119 O GLY A 15 8.564 -2.276 14.761 1.00 0.00 O ATOM 0 H GLY A 15 10.427 -4.810 13.173 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.714 -3.037 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.066 -3.626 12.057 1.00 0.00 H new ATOM 120 N SER A 16 8.293 -1.079 12.829 1.00 0.00 N ATOM 121 CA SER A 16 8.105 0.233 13.523 1.00 0.00 C ATOM 122 C SER A 16 7.402 1.290 12.637 1.00 0.00 C ATOM 123 O SER A 16 6.257 1.648 12.925 1.00 0.00 O ATOM 124 CB SER A 16 9.450 0.755 14.109 1.00 0.00 C ATOM 125 OG SER A 16 9.255 1.932 14.886 1.00 0.00 O ATOM 0 H SER A 16 8.200 -1.042 11.814 1.00 0.00 H new ATOM 0 HA SER A 16 7.428 0.054 14.358 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.905 -0.020 14.727 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.146 0.964 13.297 1.00 0.00 H new ATOM 0 HG SER A 16 10.116 2.235 15.242 1.00 0.00 H new ATOM 126 N HIS A 17 8.092 1.798 11.604 1.00 0.00 N ATOM 127 CA HIS A 17 7.528 2.758 10.621 1.00 0.00 C ATOM 128 C HIS A 17 6.818 1.930 9.503 1.00 0.00 C ATOM 129 O HIS A 17 7.482 1.092 8.883 1.00 0.00 O ATOM 130 CB HIS A 17 8.505 3.804 9.985 1.00 0.00 C ATOM 131 CG HIS A 17 9.976 3.479 10.036 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.979 4.076 10.785 1.00 0.00 N ATOM 133 CD2 HIS A 17 10.418 2.330 9.405 1.00 0.00 C ATOM 134 CE1 HIS A 17 11.989 3.190 10.481 1.00 0.00 C ATOM 135 NE2 HIS A 17 11.742 2.115 9.664 1.00 0.00 N ATOM 0 H HIS A 17 9.066 1.557 11.419 1.00 0.00 H new ATOM 0 HA HIS A 17 6.847 3.389 11.192 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.223 3.941 8.941 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.351 4.760 10.485 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.801 1.690 8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.978 3.342 10.887 1.00 0.00 H new ATOM 0 HE2 HIS A 17 12.365 1.373 9.344 1.00 0.00 H new ATOM 136 N PRO A 18 5.519 2.136 9.185 1.00 0.00 N ATOM 137 CA PRO A 18 4.843 1.365 8.099 1.00 0.00 C ATOM 138 C PRO A 18 5.288 1.690 6.684 1.00 0.00 C ATOM 139 O PRO A 18 5.821 0.781 6.038 1.00 0.00 O ATOM 140 CB PRO A 18 3.365 1.513 8.370 1.00 0.00 C ATOM 141 CG PRO A 18 3.210 2.640 9.402 1.00 0.00 C ATOM 142 CD PRO A 18 4.561 2.798 10.088 1.00 0.00 C ATOM 0 HA PRO A 18 5.138 0.316 8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.827 1.753 7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.947 0.581 8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.912 3.570 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.434 2.396 10.128 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.812 3.849 10.230 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.561 2.334 11.074 1.00 0.00 H new ATOM 143 N LEU A 19 5.215 2.966 6.217 1.00 0.00 N ATOM 144 CA LEU A 19 6.151 3.422 5.177 1.00 0.00 C ATOM 145 C LEU A 19 7.527 3.586 5.909 1.00 0.00 C ATOM 146 O LEU A 19 7.988 2.581 6.446 1.00 0.00 O ATOM 147 CB LEU A 19 5.662 4.673 4.413 1.00 0.00 C ATOM 148 CG LEU A 19 4.416 4.561 3.542 1.00 0.00 C ATOM 149 CD1 LEU A 19 3.276 5.457 4.074 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.731 5.111 2.143 1.00 0.00 C ATOM 0 H LEU A 19 4.543 3.665 6.534 1.00 0.00 H new ATOM 0 HA LEU A 19 6.240 2.700 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.482 5.459 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.480 5.012 3.777 1.00 0.00 H new ATOM 0 HG LEU A 19 4.121 3.512 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.402 5.354 3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.018 5.153 5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.603 6.497 4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.844 5.034 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.031 6.156 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.542 4.534 1.699 1.00 0.00 H new ATOM 151 N MET A 20 7.977 4.825 6.006 1.00 0.00 N ATOM 152 CA MET A 20 9.285 5.457 6.347 1.00 0.00 C ATOM 153 C MET A 20 10.631 4.702 6.517 1.00 0.00 C ATOM 154 O MET A 20 11.730 5.249 6.420 1.00 0.00 O ATOM 155 CB MET A 20 8.814 6.429 7.449 1.00 0.00 C ATOM 156 CG MET A 20 7.757 7.481 7.005 1.00 0.00 C ATOM 157 SD MET A 20 6.605 7.794 8.366 1.00 0.00 S ATOM 158 CE MET A 20 5.711 6.205 8.381 1.00 0.00 C ATOM 0 H MET A 20 7.311 5.573 5.811 1.00 0.00 H new ATOM 0 HA MET A 20 9.756 5.875 5.457 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.398 5.846 8.271 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.684 6.956 7.841 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.251 8.408 6.713 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.214 7.120 6.131 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.650 6.386 8.555 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.841 5.705 7.421 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.106 5.573 9.176 1.00 0.00 H new ATOM 159 N ASP A 21 10.412 3.407 6.548 1.00 0.00 N ATOM 160 CA ASP A 21 11.117 2.388 5.727 1.00 0.00 C ATOM 161 C ASP A 21 10.908 2.581 4.196 1.00 0.00 C ATOM 162 O ASP A 21 11.825 2.260 3.433 1.00 0.00 O ATOM 163 CB ASP A 21 10.821 0.945 6.204 1.00 0.00 C ATOM 164 CG ASP A 21 11.599 -0.169 5.494 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.938 -0.141 5.790 1.00 0.00 O ATOM 166 OD2 ASP A 21 11.073 -0.990 4.745 1.00 0.00 O ATOM 0 H ASP A 21 9.712 2.994 7.165 1.00 0.00 H new ATOM 0 HA ASP A 21 12.182 2.551 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.033 0.886 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.755 0.753 6.079 1.00 0.00 H new ATOM 167 N PHE A 22 9.746 3.097 3.766 1.00 0.00 N ATOM 168 CA PHE A 22 9.393 3.230 2.362 1.00 0.00 C ATOM 169 C PHE A 22 9.259 4.737 1.941 1.00 0.00 C ATOM 170 O PHE A 22 9.555 4.952 0.776 1.00 0.00 O ATOM 171 CB PHE A 22 8.162 2.346 2.081 1.00 0.00 C ATOM 172 CG PHE A 22 8.276 0.808 2.446 1.00 0.00 C ATOM 173 CD1 PHE A 22 8.114 0.308 3.780 1.00 0.00 C ATOM 174 CD2 PHE A 22 8.428 -0.136 1.420 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.945 -1.062 4.008 1.00 0.00 C ATOM 176 CE2 PHE A 22 8.294 -1.502 1.667 1.00 0.00 C ATOM 177 CZ PHE A 22 8.072 -1.955 2.952 1.00 0.00 C ATOM 0 H PHE A 22 9.022 3.435 4.400 1.00 0.00 H new ATOM 0 HA PHE A 22 10.193 2.862 1.719 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.316 2.761 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.925 2.425 1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.122 0.994 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.653 0.201 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.717 -1.423 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.364 -2.207 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.996 -3.016 3.138 1.00 0.00 H new ATOM 178 N ASN A 23 8.907 5.755 2.796 1.00 0.00 N ATOM 179 CA ASN A 23 8.802 7.248 2.435 1.00 0.00 C ATOM 180 C ASN A 23 9.574 7.807 1.198 1.00 0.00 C ATOM 181 O ASN A 23 9.025 8.498 0.338 1.00 0.00 O ATOM 182 CB ASN A 23 9.109 8.073 3.711 1.00 0.00 C ATOM 183 CG ASN A 23 8.935 9.594 3.665 1.00 0.00 C ATOM 184 OD1 ASN A 23 8.299 10.167 2.782 1.00 0.00 O ATOM 185 ND2 ASN A 23 9.494 10.288 4.640 1.00 0.00 N ATOM 0 H ASN A 23 8.681 5.577 3.775 1.00 0.00 H new ATOM 0 HA ASN A 23 7.778 7.355 2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.474 7.692 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.140 7.867 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.399 11.303 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.021 9.809 5.370 1.00 0.00 H new ATOM 186 N ASN A 24 10.853 7.484 1.218 1.00 0.00 N ATOM 187 CA ASN A 24 11.792 7.650 0.099 1.00 0.00 C ATOM 188 C ASN A 24 12.370 6.226 -0.168 1.00 0.00 C ATOM 189 O ASN A 24 13.209 5.749 0.605 1.00 0.00 O ATOM 190 CB ASN A 24 12.909 8.636 0.497 1.00 0.00 C ATOM 191 CG ASN A 24 12.603 10.118 0.292 1.00 0.00 C ATOM 192 OD1 ASN A 24 11.457 10.570 0.299 1.00 0.00 O ATOM 193 ND2 ASN A 24 13.640 10.922 0.144 1.00 0.00 N ATOM 0 H ASN A 24 11.295 7.081 2.044 1.00 0.00 H new ATOM 0 HA ASN A 24 11.313 8.056 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.148 8.477 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.804 8.389 -0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.496 11.926 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.585 10.539 0.139 1.00 0.00 H new ATOM 194 N TYR A 25 11.880 5.539 -1.223 1.00 0.00 N ATOM 195 CA TYR A 25 12.295 4.138 -1.525 1.00 0.00 C ATOM 196 C TYR A 25 11.825 3.759 -2.951 1.00 0.00 C ATOM 197 O TYR A 25 10.705 3.282 -3.148 1.00 0.00 O ATOM 198 CB TYR A 25 11.720 3.172 -0.460 1.00 0.00 C ATOM 199 CG TYR A 25 12.276 1.764 -0.479 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.690 0.773 -1.270 1.00 0.00 C ATOM 201 CD2 TYR A 25 13.384 1.442 0.306 1.00 0.00 C ATOM 202 CE1 TYR A 25 12.194 -0.518 -1.253 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.933 0.165 0.280 1.00 0.00 C ATOM 204 CZ TYR A 25 13.307 -0.830 -0.471 1.00 0.00 C ATOM 205 OH TYR A 25 13.724 -2.117 -0.419 1.00 0.00 O ATOM 0 H TYR A 25 11.201 5.923 -1.880 1.00 0.00 H new ATOM 0 HA TYR A 25 13.381 4.058 -1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.900 3.600 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.639 3.118 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.843 1.013 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.822 2.196 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.723 -1.286 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.833 -0.054 0.835 1.00 0.00 H new ATOM 0 HH TYR A 25 13.172 -2.614 0.221 1.00 0.00 H new ATOM 206 N GLY A 26 12.689 3.948 -3.947 1.00 0.00 N ATOM 207 CA GLY A 26 12.314 3.762 -5.367 1.00 0.00 C ATOM 208 C GLY A 26 11.675 5.049 -5.923 1.00 0.00 C ATOM 209 O GLY A 26 12.286 5.896 -6.571 1.00 0.00 O ATOM 0 H GLY A 26 13.659 4.231 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.196 3.503 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.615 2.931 -5.460 1.00 0.00 H new ATOM 210 N CYS A 27 10.396 5.107 -5.593 1.00 0.00 N ATOM 211 CA CYS A 27 9.527 6.280 -5.772 1.00 0.00 C ATOM 212 C CYS A 27 8.178 6.132 -5.023 1.00 0.00 C ATOM 213 O CYS A 27 7.955 6.814 -4.020 1.00 0.00 O ATOM 214 CB CYS A 27 9.325 6.670 -7.240 1.00 0.00 C ATOM 215 SG CYS A 27 8.636 5.357 -8.246 1.00 0.00 S ATOM 0 H CYS A 27 9.907 4.314 -5.177 1.00 0.00 H new ATOM 0 HA CYS A 27 10.062 7.111 -5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.666 7.537 -7.289 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.283 6.974 -7.661 1.00 0.00 H new ATOM 216 N TYR A 28 7.296 5.259 -5.531 1.00 0.00 N ATOM 217 CA TYR A 28 5.893 5.128 -5.055 1.00 0.00 C ATOM 218 C TYR A 28 5.718 4.319 -3.744 1.00 0.00 C ATOM 219 O TYR A 28 4.735 4.533 -3.039 1.00 0.00 O ATOM 220 CB TYR A 28 4.946 4.546 -6.136 1.00 0.00 C ATOM 221 CG TYR A 28 5.133 4.995 -7.594 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.572 6.282 -7.976 1.00 0.00 C ATOM 223 CD2 TYR A 28 4.974 4.030 -8.584 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.869 6.568 -9.305 1.00 0.00 C ATOM 225 CE2 TYR A 28 5.253 4.321 -9.916 1.00 0.00 C ATOM 226 CZ TYR A 28 5.719 5.586 -10.276 1.00 0.00 C ATOM 227 OH TYR A 28 6.045 5.882 -11.564 1.00 0.00 O ATOM 0 H TYR A 28 7.528 4.616 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 28 5.613 6.159 -4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.040 3.460 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.923 4.785 -5.844 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.678 7.053 -7.228 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.630 3.042 -8.315 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.216 7.553 -9.581 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.108 3.565 -10.674 1.00 0.00 H new ATOM 0 HH TYR A 28 6.582 5.154 -11.941 1.00 0.00 H new ATOM 228 N CYS A 29 6.666 3.403 -3.435 1.00 0.00 N ATOM 229 CA CYS A 29 6.862 2.864 -2.070 1.00 0.00 C ATOM 230 C CYS A 29 7.614 4.033 -1.409 1.00 0.00 C ATOM 231 O CYS A 29 8.785 4.303 -1.679 1.00 0.00 O ATOM 232 CB CYS A 29 7.713 1.598 -2.114 1.00 0.00 C ATOM 233 SG CYS A 29 6.775 0.230 -2.780 1.00 0.00 S ATOM 0 H CYS A 29 7.314 3.019 -4.123 1.00 0.00 H new ATOM 0 HA CYS A 29 5.950 2.571 -1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.599 1.770 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.061 1.353 -1.111 1.00 0.00 H new ATOM 234 N GLY A 30 6.820 4.823 -0.710 1.00 0.00 N ATOM 235 CA GLY A 30 7.163 6.215 -0.449 1.00 0.00 C ATOM 236 C GLY A 30 5.950 7.039 -0.778 1.00 0.00 C ATOM 237 O GLY A 30 5.410 6.928 -1.887 1.00 0.00 O ATOM 0 H GLY A 30 5.930 4.526 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.450 6.352 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.014 6.522 -1.057 1.00 0.00 H new ATOM 238 N LEU A 31 5.518 7.866 0.191 1.00 0.00 N ATOM 239 CA LEU A 31 4.133 8.311 0.247 1.00 0.00 C ATOM 240 C LEU A 31 3.631 8.970 -1.039 1.00 0.00 C ATOM 241 O LEU A 31 4.100 9.992 -1.551 1.00 0.00 O ATOM 242 CB LEU A 31 3.754 8.998 1.575 1.00 0.00 C ATOM 243 CG LEU A 31 3.889 10.519 1.617 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.979 11.136 2.689 1.00 0.00 C ATOM 245 CD2 LEU A 31 5.330 11.001 1.787 1.00 0.00 C ATOM 0 H LEU A 31 6.111 8.232 0.936 1.00 0.00 H new ATOM 0 HA LEU A 31 3.532 7.402 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.721 8.740 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.375 8.578 2.366 1.00 0.00 H new ATOM 0 HG LEU A 31 3.561 10.868 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.101 12.219 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.940 10.888 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.249 10.739 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.349 12.091 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.736 10.613 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.934 10.644 0.953 1.00 0.00 H new ATOM 246 N GLY A 32 2.699 8.204 -1.533 1.00 0.00 N ATOM 247 CA GLY A 32 1.886 8.535 -2.675 1.00 0.00 C ATOM 248 C GLY A 32 2.465 8.034 -4.010 1.00 0.00 C ATOM 249 O GLY A 32 2.690 6.830 -4.162 1.00 0.00 O ATOM 0 H GLY A 32 2.474 7.292 -1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.892 8.110 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.766 9.617 -2.724 1.00 0.00 H new ATOM 250 N GLY A 33 2.692 8.944 -4.977 1.00 0.00 N ATOM 251 CA GLY A 33 3.338 8.600 -6.268 1.00 0.00 C ATOM 252 C GLY A 33 2.447 7.996 -7.370 1.00 0.00 C ATOM 253 O GLY A 33 1.355 7.501 -7.072 1.00 0.00 O ATOM 0 H GLY A 33 2.438 9.928 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.798 9.505 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.144 7.896 -6.064 1.00 0.00 H new ATOM 254 N SER A 34 2.900 8.033 -8.655 1.00 0.00 N ATOM 255 CA SER A 34 2.082 7.530 -9.794 1.00 0.00 C ATOM 256 C SER A 34 2.870 7.313 -11.120 1.00 0.00 C ATOM 257 O SER A 34 3.766 8.092 -11.460 1.00 0.00 O ATOM 258 CB SER A 34 0.901 8.500 -10.074 1.00 0.00 C ATOM 259 OG SER A 34 1.331 9.794 -10.493 1.00 0.00 O ATOM 0 H SER A 34 3.813 8.400 -8.924 1.00 0.00 H new ATOM 0 HA SER A 34 1.730 6.549 -9.476 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.259 8.070 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.297 8.598 -9.172 1.00 0.00 H new ATOM 0 HG SER A 34 0.549 10.362 -10.657 1.00 0.00 H new ATOM 260 N GLY A 35 2.469 6.262 -11.861 1.00 0.00 N ATOM 261 CA GLY A 35 3.018 5.942 -13.193 1.00 0.00 C ATOM 262 C GLY A 35 3.299 4.437 -13.335 1.00 0.00 C ATOM 263 O GLY A 35 2.384 3.613 -13.253 1.00 0.00 O ATOM 0 H GLY A 35 1.751 5.607 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.315 6.257 -13.964 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.939 6.503 -13.353 1.00 0.00 H new ATOM 264 N THR A 36 4.574 4.112 -13.582 1.00 0.00 N ATOM 265 CA THR A 36 5.105 2.737 -13.586 1.00 0.00 C ATOM 266 C THR A 36 6.496 2.787 -12.842 1.00 0.00 C ATOM 267 O THR A 36 7.246 3.761 -12.981 1.00 0.00 O ATOM 268 CB THR A 36 5.141 2.005 -14.950 1.00 0.00 C ATOM 269 OG1 THR A 36 4.743 2.820 -16.055 1.00 0.00 O ATOM 270 CG2 THR A 36 4.217 0.779 -14.891 1.00 0.00 C ATOM 0 H THR A 36 5.285 4.813 -13.790 1.00 0.00 H new ATOM 0 HA THR A 36 4.398 2.098 -13.057 1.00 0.00 H new ATOM 0 HB THR A 36 6.180 1.723 -15.118 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.791 2.296 -16.882 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.239 0.260 -15.849 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.557 0.104 -14.105 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.198 1.101 -14.676 1.00 0.00 H new ATOM 271 N PRO A 37 6.852 1.783 -12.014 1.00 0.00 N ATOM 272 CA PRO A 37 7.770 1.981 -10.851 1.00 0.00 C ATOM 273 C PRO A 37 9.247 1.587 -11.064 1.00 0.00 C ATOM 274 O PRO A 37 9.787 1.737 -12.163 1.00 0.00 O ATOM 275 CB PRO A 37 6.984 1.023 -9.901 1.00 0.00 C ATOM 276 CG PRO A 37 6.774 -0.232 -10.767 1.00 0.00 C ATOM 277 CD PRO A 37 6.248 0.432 -12.039 1.00 0.00 C ATOM 0 HA PRO A 37 7.935 3.011 -10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.550 0.799 -8.997 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.036 1.458 -9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.698 -0.786 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.058 -0.929 -10.330 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.545 -0.121 -12.930 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.159 0.482 -12.042 1.00 0.00 H new ATOM 278 N VAL A 38 9.861 1.067 -9.979 1.00 0.00 N ATOM 279 CA VAL A 38 11.240 0.571 -9.948 1.00 0.00 C ATOM 280 C VAL A 38 11.314 -0.963 -9.614 1.00 0.00 C ATOM 281 O VAL A 38 11.790 -1.763 -10.422 1.00 0.00 O ATOM 282 CB VAL A 38 12.206 1.489 -9.112 1.00 0.00 C ATOM 283 CG1 VAL A 38 11.665 2.848 -8.576 1.00 0.00 C ATOM 284 CG2 VAL A 38 12.793 0.907 -7.802 1.00 0.00 C ATOM 0 H VAL A 38 9.391 0.982 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 38 11.632 0.647 -10.962 1.00 0.00 H new ATOM 0 HB VAL A 38 12.925 1.596 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.452 3.360 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.348 3.469 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.816 2.667 -7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.439 1.648 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.981 0.650 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.372 0.012 -8.029 1.00 0.00 H new ATOM 285 N ASP A 39 10.883 -1.296 -8.393 1.00 0.00 N ATOM 286 CA ASP A 39 11.076 -2.624 -7.768 1.00 0.00 C ATOM 287 C ASP A 39 9.875 -3.535 -7.955 1.00 0.00 C ATOM 288 O ASP A 39 8.770 -3.070 -8.229 1.00 0.00 O ATOM 289 CB ASP A 39 11.521 -2.417 -6.290 1.00 0.00 C ATOM 290 CG ASP A 39 12.328 -3.587 -5.706 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.594 -3.655 -6.228 1.00 0.00 O ATOM 292 OD2 ASP A 39 11.881 -4.379 -4.879 1.00 0.00 O ATOM 0 H ASP A 39 10.379 -0.642 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 39 11.875 -3.165 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.121 -1.509 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.636 -2.258 -5.675 1.00 0.00 H new ATOM 293 N GLU A 40 10.101 -4.851 -7.732 1.00 0.00 N ATOM 294 CA GLU A 40 8.999 -5.776 -7.353 1.00 0.00 C ATOM 295 C GLU A 40 8.116 -5.215 -6.169 1.00 0.00 C ATOM 296 O GLU A 40 6.903 -5.422 -6.144 1.00 0.00 O ATOM 297 CB GLU A 40 9.559 -7.127 -6.869 1.00 0.00 C ATOM 298 CG GLU A 40 8.610 -8.314 -7.055 1.00 0.00 C ATOM 299 CD GLU A 40 9.298 -9.659 -7.282 1.00 0.00 C ATOM 300 OE1 GLU A 40 10.179 -9.841 -8.123 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.810 -10.639 -6.455 1.00 0.00 O ATOM 0 H GLU A 40 11.017 -5.293 -7.805 1.00 0.00 H new ATOM 0 HA GLU A 40 8.393 -5.887 -8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.487 -7.333 -7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.812 -7.043 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.973 -8.392 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.957 -8.109 -7.903 1.00 0.00 H new ATOM 302 N LEU A 41 8.784 -4.513 -5.226 1.00 0.00 N ATOM 303 CA LEU A 41 8.134 -3.756 -4.164 1.00 0.00 C ATOM 304 C LEU A 41 7.334 -2.544 -4.624 1.00 0.00 C ATOM 305 O LEU A 41 6.156 -2.415 -4.284 1.00 0.00 O ATOM 306 CB LEU A 41 9.096 -3.281 -3.062 1.00 0.00 C ATOM 307 CG LEU A 41 9.753 -4.420 -2.271 1.00 0.00 C ATOM 308 CD1 LEU A 41 11.026 -3.828 -1.679 1.00 0.00 C ATOM 309 CD2 LEU A 41 8.615 -4.885 -1.375 1.00 0.00 C ATOM 0 H LEU A 41 9.802 -4.464 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 41 7.441 -4.497 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.877 -2.670 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.550 -2.640 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 41 10.122 -5.315 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.546 -4.590 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.673 -3.479 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.770 -2.991 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.958 -5.709 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.290 -4.059 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.781 -5.220 -1.991 1.00 0.00 H new ATOM 310 N ASP A 42 8.010 -1.676 -5.396 1.00 0.00 N ATOM 311 CA ASP A 42 7.363 -0.561 -6.092 1.00 0.00 C ATOM 312 C ASP A 42 6.241 -0.956 -7.109 1.00 0.00 C ATOM 313 O ASP A 42 5.492 -0.072 -7.517 1.00 0.00 O ATOM 314 CB ASP A 42 8.356 0.465 -6.637 1.00 0.00 C ATOM 315 CG ASP A 42 9.242 1.179 -5.618 1.00 0.00 C ATOM 316 OD1 ASP A 42 10.274 0.401 -5.161 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.036 2.336 -5.260 1.00 0.00 O ATOM 0 H ASP A 42 9.017 -1.731 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 42 6.807 -0.053 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.003 -0.038 -7.356 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.795 1.221 -7.187 1.00 0.00 H new ATOM 318 N ARG A 43 6.078 -2.253 -7.441 1.00 0.00 N ATOM 319 CA ARG A 43 4.891 -2.777 -8.127 1.00 0.00 C ATOM 320 C ARG A 43 3.663 -2.816 -7.181 1.00 0.00 C ATOM 321 O ARG A 43 2.616 -2.340 -7.626 1.00 0.00 O ATOM 322 CB ARG A 43 5.015 -4.238 -8.605 1.00 0.00 C ATOM 323 CG ARG A 43 6.204 -4.625 -9.435 1.00 0.00 C ATOM 324 CD ARG A 43 6.613 -3.746 -10.590 1.00 0.00 C ATOM 325 NE ARG A 43 5.471 -3.341 -11.421 1.00 0.00 N ATOM 326 CZ ARG A 43 5.540 -3.053 -12.733 1.00 0.00 C ATOM 327 NH1 ARG A 43 6.665 -3.069 -13.445 1.00 0.00 N ATOM 328 NH2 ARG A 43 4.422 -2.734 -13.355 1.00 0.00 N ATOM 0 H ARG A 43 6.776 -2.968 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 43 4.784 -2.098 -8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.006 -4.877 -7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.119 -4.475 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.060 -4.705 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.016 -5.622 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.112 -2.856 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.337 -4.277 -11.208 1.00 0.00 H new ATOM 0 HE ARG A 43 4.559 -3.273 -10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.549 -3.311 -12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.643 -2.839 -14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.541 -2.711 -12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.438 -2.510 -14.350 1.00 0.00 H new ATOM 329 N CYS A 44 3.751 -3.368 -5.918 1.00 0.00 N ATOM 330 CA CYS A 44 2.616 -3.203 -4.978 1.00 0.00 C ATOM 331 C CYS A 44 2.482 -1.754 -4.383 1.00 0.00 C ATOM 332 O CYS A 44 1.737 -1.574 -3.431 1.00 0.00 O ATOM 333 CB CYS A 44 2.700 -4.251 -3.868 1.00 0.00 C ATOM 334 SG CYS A 44 3.046 -5.904 -4.497 1.00 0.00 S ATOM 0 H CYS A 44 4.548 -3.895 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 44 1.707 -3.357 -5.560 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.480 -3.965 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.760 -4.266 -3.316 1.00 0.00 H new ATOM 335 N CYS A 45 3.259 -0.777 -4.871 1.00 0.00 N ATOM 336 CA CYS A 45 3.008 0.655 -4.743 1.00 0.00 C ATOM 337 C CYS A 45 2.420 1.296 -6.025 1.00 0.00 C ATOM 338 O CYS A 45 1.578 2.180 -5.859 1.00 0.00 O ATOM 339 CB CYS A 45 4.296 1.339 -4.339 1.00 0.00 C ATOM 340 SG CYS A 45 4.837 0.690 -2.761 1.00 0.00 S ATOM 0 H CYS A 45 4.115 -0.978 -5.387 1.00 0.00 H new ATOM 0 HA CYS A 45 2.246 0.792 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.063 1.173 -5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.144 2.416 -4.270 1.00 0.00 H new ATOM 341 N GLU A 46 2.835 0.923 -7.280 1.00 0.00 N ATOM 342 CA GLU A 46 2.129 1.383 -8.521 1.00 0.00 C ATOM 343 C GLU A 46 0.633 0.993 -8.480 1.00 0.00 C ATOM 344 O GLU A 46 -0.212 1.837 -8.750 1.00 0.00 O ATOM 345 CB GLU A 46 2.904 0.812 -9.736 1.00 0.00 C ATOM 346 CG GLU A 46 2.243 0.887 -11.120 1.00 0.00 C ATOM 347 CD GLU A 46 1.344 -0.298 -11.465 1.00 0.00 C ATOM 348 OE1 GLU A 46 2.051 -1.465 -11.603 1.00 0.00 O ATOM 349 OE2 GLU A 46 0.125 -0.210 -11.601 1.00 0.00 O ATOM 0 H GLU A 46 3.637 0.318 -7.455 1.00 0.00 H new ATOM 0 HA GLU A 46 2.125 2.470 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.860 1.332 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.123 -0.235 -9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.652 1.801 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.024 0.965 -11.876 1.00 0.00 H new ATOM 350 N THR A 47 0.367 -0.260 -8.106 1.00 0.00 N ATOM 351 CA THR A 47 -0.973 -0.804 -7.870 1.00 0.00 C ATOM 352 C THR A 47 -1.511 -0.566 -6.429 1.00 0.00 C ATOM 353 O THR A 47 -2.728 -0.651 -6.290 1.00 0.00 O ATOM 354 CB THR A 47 -0.808 -2.322 -8.201 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.442 -2.500 -9.573 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.065 -3.153 -7.998 1.00 0.00 C ATOM 0 H THR A 47 1.104 -0.948 -7.954 1.00 0.00 H new ATOM 0 HA THR A 47 -1.723 -0.306 -8.485 1.00 0.00 H new ATOM 0 HB THR A 47 -0.041 -2.663 -7.506 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.341 -3.456 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.859 -4.193 -8.251 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.379 -3.089 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.860 -2.774 -8.641 1.00 0.00 H new ATOM 357 N HIS A 48 -0.729 -0.266 -5.367 1.00 0.00 N ATOM 358 CA HIS A 48 -1.337 0.352 -4.132 1.00 0.00 C ATOM 359 C HIS A 48 -1.375 1.915 -4.278 1.00 0.00 C ATOM 360 O HIS A 48 -0.748 2.686 -3.549 1.00 0.00 O ATOM 361 CB HIS A 48 -0.701 -0.174 -2.840 1.00 0.00 C ATOM 362 CG HIS A 48 -1.673 -0.121 -1.659 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.600 0.788 -0.611 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.796 -0.950 -1.519 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.716 0.400 0.062 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.564 -0.507 -0.485 1.00 0.00 N ATOM 0 H HIS A 48 0.277 -0.426 -5.322 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.376 0.034 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.370 -1.201 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.186 0.415 -2.606 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.919 1.520 -0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.018 -1.808 -2.136 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.928 0.816 1.036 1.00 0.00 H new ATOM 367 N ASP A 49 -2.186 2.268 -5.274 1.00 0.00 N ATOM 368 CA ASP A 49 -2.406 3.575 -5.887 1.00 0.00 C ATOM 369 C ASP A 49 -3.350 3.217 -7.127 1.00 0.00 C ATOM 370 O ASP A 49 -4.409 3.831 -7.215 1.00 0.00 O ATOM 371 CB ASP A 49 -1.137 4.230 -6.437 1.00 0.00 C ATOM 372 CG ASP A 49 -0.299 5.044 -5.461 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.768 5.726 -4.550 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.043 4.930 -5.718 1.00 0.00 O ATOM 0 H ASP A 49 -2.771 1.563 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.804 4.280 -5.157 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.505 3.446 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.423 4.882 -7.263 1.00 0.00 H new ATOM 375 N ASN A 50 -2.968 2.264 -8.038 1.00 0.00 N ATOM 376 CA ASN A 50 -3.779 1.871 -9.219 1.00 0.00 C ATOM 377 C ASN A 50 -4.911 0.822 -9.031 1.00 0.00 C ATOM 378 O ASN A 50 -5.887 0.838 -9.786 1.00 0.00 O ATOM 379 CB ASN A 50 -2.976 1.622 -10.512 1.00 0.00 C ATOM 380 CG ASN A 50 -2.250 2.854 -11.073 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.797 3.952 -11.168 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.007 2.688 -11.474 1.00 0.00 N ATOM 0 H ASN A 50 -2.088 1.753 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.331 2.803 -9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.240 0.841 -10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.654 1.240 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.489 3.474 -11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.562 1.774 -11.391 1.00 0.00 H new ATOM 383 N CYS A 51 -4.786 -0.078 -8.067 1.00 0.00 N ATOM 384 CA CYS A 51 -5.954 -0.725 -7.429 1.00 0.00 C ATOM 385 C CYS A 51 -6.440 0.045 -6.149 1.00 0.00 C ATOM 386 O CYS A 51 -7.486 -0.353 -5.626 1.00 0.00 O ATOM 387 CB CYS A 51 -5.570 -2.175 -7.073 1.00 0.00 C ATOM 388 SG CYS A 51 -6.880 -3.002 -6.162 1.00 0.00 S ATOM 0 H CYS A 51 -3.887 -0.387 -7.698 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.787 -0.710 -8.132 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.355 -2.730 -7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.657 -2.174 -6.478 1.00 0.00 H new ATOM 389 N TYR A 52 -5.756 1.120 -5.643 1.00 0.00 N ATOM 390 CA TYR A 52 -6.189 1.750 -4.345 1.00 0.00 C ATOM 391 C TYR A 52 -7.346 2.740 -4.545 1.00 0.00 C ATOM 392 O TYR A 52 -8.322 2.731 -3.790 1.00 0.00 O ATOM 393 CB TYR A 52 -5.013 2.421 -3.608 1.00 0.00 C ATOM 394 CG TYR A 52 -5.084 2.672 -2.110 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.115 2.143 -1.333 1.00 0.00 C ATOM 396 CD2 TYR A 52 -4.000 3.304 -1.464 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.020 2.154 0.045 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.940 3.353 -0.071 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.947 2.755 0.679 1.00 0.00 C ATOM 400 OH TYR A 52 -4.802 2.614 2.013 1.00 0.00 O ATOM 0 H TYR A 52 -4.944 1.552 -6.084 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.553 0.939 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.129 1.811 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.840 3.384 -4.088 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.989 1.724 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.212 3.752 -2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.794 1.687 0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.118 3.851 0.421 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.776 1.661 2.240 1.00 0.00 H new ATOM 401 N ARG A 53 -7.207 3.565 -5.580 1.00 0.00 N ATOM 402 CA ARG A 53 -8.257 4.386 -6.132 1.00 0.00 C ATOM 403 C ARG A 53 -9.636 3.737 -6.359 1.00 0.00 C ATOM 404 O ARG A 53 -10.636 4.386 -6.066 1.00 0.00 O ATOM 405 CB ARG A 53 -7.551 5.065 -7.329 1.00 0.00 C ATOM 406 CG ARG A 53 -8.013 4.568 -8.660 1.00 0.00 C ATOM 407 CD ARG A 53 -7.272 3.392 -9.197 1.00 0.00 C ATOM 408 NE ARG A 53 -6.360 3.882 -10.247 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.580 3.771 -11.573 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.654 3.195 -12.108 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.679 4.269 -12.395 1.00 0.00 N ATOM 0 H ARG A 53 -6.319 3.677 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.640 5.116 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.718 6.141 -7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.476 4.904 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.069 4.307 -8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.937 5.383 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.712 2.897 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.965 2.656 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.498 4.339 -9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.376 2.802 -11.504 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.755 3.146 -13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.844 4.722 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.816 4.201 -13.403 1.00 0.00 H new ATOM 412 N ASP A 54 -9.640 2.525 -6.957 1.00 0.00 N ATOM 413 CA ASP A 54 -10.775 2.035 -7.810 1.00 0.00 C ATOM 414 C ASP A 54 -12.161 1.743 -7.186 1.00 0.00 C ATOM 415 O ASP A 54 -13.128 1.416 -7.868 1.00 0.00 O ATOM 416 CB ASP A 54 -10.251 0.841 -8.613 1.00 0.00 C ATOM 417 CG ASP A 54 -10.900 0.614 -9.974 1.00 0.00 C ATOM 418 OD1 ASP A 54 -10.549 1.209 -10.992 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.915 -0.306 -9.929 1.00 0.00 O ATOM 0 H ASP A 54 -8.873 1.858 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.048 2.901 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.179 0.970 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.384 -0.060 -8.015 1.00 0.00 H new ATOM 420 N ALA A 55 -12.178 1.931 -5.877 1.00 0.00 N ATOM 421 CA ALA A 55 -13.343 2.327 -5.075 1.00 0.00 C ATOM 422 C ALA A 55 -14.203 3.472 -5.677 1.00 0.00 C ATOM 423 O ALA A 55 -15.430 3.422 -5.604 1.00 0.00 O ATOM 424 CB ALA A 55 -12.744 2.890 -3.759 1.00 0.00 C ATOM 0 H ALA A 55 -11.341 1.807 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.997 1.459 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.551 3.210 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.158 2.115 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.102 3.741 -3.986 1.00 0.00 H new ATOM 425 N LYS A 56 -13.532 4.477 -6.271 1.00 0.00 N ATOM 426 CA LYS A 56 -14.122 5.503 -7.107 1.00 0.00 C ATOM 427 C LYS A 56 -15.053 5.029 -8.233 1.00 0.00 C ATOM 428 O LYS A 56 -16.136 5.564 -8.442 1.00 0.00 O ATOM 429 CB LYS A 56 -12.977 6.469 -7.410 1.00 0.00 C ATOM 430 CG LYS A 56 -12.517 6.480 -8.836 1.00 0.00 C ATOM 431 CD LYS A 56 -11.658 5.331 -9.274 1.00 0.00 C ATOM 432 CE LYS A 56 -10.661 5.633 -10.396 1.00 0.00 C ATOM 433 NZ LYS A 56 -11.308 5.977 -11.678 1.00 0.00 N ATOM 0 H LYS A 56 -12.523 4.588 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.912 6.055 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.290 7.477 -7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.130 6.215 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.398 6.511 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.964 7.404 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.103 4.967 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.308 4.520 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.018 6.458 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.017 4.766 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.579 6.170 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.900 5.182 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.901 6.822 -11.552 1.00 0.00 H new ATOM 434 N ASN A 57 -14.535 4.029 -8.940 1.00 0.00 N ATOM 435 CA ASN A 57 -15.198 3.347 -10.077 1.00 0.00 C ATOM 436 C ASN A 57 -16.196 2.227 -9.686 1.00 0.00 C ATOM 437 O ASN A 57 -17.109 1.930 -10.459 1.00 0.00 O ATOM 438 CB ASN A 57 -14.017 2.788 -10.917 1.00 0.00 C ATOM 439 CG ASN A 57 -14.343 2.121 -12.247 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.299 2.469 -12.941 1.00 0.00 O ATOM 441 ND2 ASN A 57 -13.524 1.172 -12.660 1.00 0.00 N ATOM 0 H ASN A 57 -13.610 3.648 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.834 4.049 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.328 3.610 -11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.482 2.064 -10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.680 0.720 -13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.735 0.891 -12.078 1.00 0.00 H new ATOM 442 N LEU A 58 -15.970 1.639 -8.507 1.00 0.00 N ATOM 443 CA LEU A 58 -16.629 0.435 -7.975 1.00 0.00 C ATOM 444 C LEU A 58 -18.100 0.221 -8.265 1.00 0.00 C ATOM 445 O LEU A 58 -18.957 1.101 -8.141 1.00 0.00 O ATOM 446 CB LEU A 58 -16.175 0.343 -6.514 1.00 0.00 C ATOM 447 CG LEU A 58 -16.119 -0.933 -5.701 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.406 -2.012 -6.468 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.284 -0.671 -4.430 1.00 0.00 C ATOM 0 H LEU A 58 -15.279 2.012 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.307 -0.438 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.168 0.760 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.818 1.025 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.139 -1.240 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.374 -2.923 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.937 -2.208 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.389 -1.689 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.234 -1.582 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.276 -0.367 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.751 0.121 -3.845 1.00 0.00 H new ATOM 450 N ASP A 59 -18.311 -1.041 -8.654 1.00 0.00 N ATOM 451 CA ASP A 59 -19.642 -1.674 -8.741 1.00 0.00 C ATOM 452 C ASP A 59 -20.422 -1.617 -7.388 1.00 0.00 C ATOM 453 O ASP A 59 -21.647 -1.482 -7.363 1.00 0.00 O ATOM 454 CB ASP A 59 -19.332 -3.199 -8.948 1.00 0.00 C ATOM 455 CG ASP A 59 -19.021 -3.611 -10.376 1.00 0.00 C ATOM 456 OD1 ASP A 59 -19.887 -3.885 -11.205 1.00 0.00 O ATOM 457 OD2 ASP A 59 -17.672 -3.637 -10.626 1.00 0.00 O ATOM 0 H ASP A 59 -17.552 -1.667 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.228 -1.179 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.485 -3.469 -8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.187 -3.777 -8.599 1.00 0.00 H new ATOM 458 N SER A 60 -19.644 -1.792 -6.315 1.00 0.00 N ATOM 459 CA SER A 60 -20.129 -1.876 -4.951 1.00 0.00 C ATOM 460 C SER A 60 -20.039 -0.528 -4.228 1.00 0.00 C ATOM 461 O SER A 60 -20.806 -0.360 -3.276 1.00 0.00 O ATOM 462 CB SER A 60 -19.226 -2.957 -4.339 1.00 0.00 C ATOM 463 OG SER A 60 -19.885 -3.639 -3.284 1.00 0.00 O ATOM 0 H SER A 60 -18.630 -1.881 -6.383 1.00 0.00 H new ATOM 0 HA SER A 60 -21.187 -2.128 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.934 -3.670 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.310 -2.500 -3.964 1.00 0.00 H new ATOM 0 HG SER A 60 -19.676 -4.595 -3.331 1.00 0.00 H new ATOM 464 N CYS A 61 -19.140 0.416 -4.661 1.00 0.00 N ATOM 465 CA CYS A 61 -19.007 1.709 -3.944 1.00 0.00 C ATOM 466 C CYS A 61 -19.406 2.949 -4.766 1.00 0.00 C ATOM 467 O CYS A 61 -20.600 3.126 -5.028 1.00 0.00 O ATOM 468 CB CYS A 61 -17.700 1.736 -3.140 1.00 0.00 C ATOM 469 SG CYS A 61 -18.037 2.429 -1.518 1.00 0.00 S ATOM 0 H CYS A 61 -18.526 0.305 -5.468 1.00 0.00 H new ATOM 0 HA CYS A 61 -19.784 1.784 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.294 0.729 -3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.950 2.334 -3.658 1.00 0.00 H new ATOM 470 N LYS A 62 -18.453 3.819 -5.131 1.00 0.00 N ATOM 471 CA LYS A 62 -18.749 5.189 -5.613 1.00 0.00 C ATOM 472 C LYS A 62 -18.921 5.322 -7.153 1.00 0.00 C ATOM 473 O LYS A 62 -18.636 4.410 -7.936 1.00 0.00 O ATOM 474 CB LYS A 62 -17.601 6.122 -5.108 1.00 0.00 C ATOM 475 CG LYS A 62 -17.505 6.360 -3.594 1.00 0.00 C ATOM 476 CD LYS A 62 -18.706 7.028 -2.914 1.00 0.00 C ATOM 477 CE LYS A 62 -19.136 8.410 -3.435 1.00 0.00 C ATOM 478 NZ LYS A 62 -18.139 9.473 -3.210 1.00 0.00 N ATOM 0 H LYS A 62 -17.457 3.600 -5.103 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.721 5.474 -5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -16.653 5.703 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -17.713 7.090 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -17.335 5.398 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -16.624 6.973 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.559 6.355 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -18.481 7.123 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -19.339 8.337 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.071 8.694 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.500 10.373 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.961 9.572 -2.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.252 9.225 -3.694 1.00 0.00 H new ATOM 479 N PHE A 63 -19.402 6.517 -7.531 1.00 0.00 N ATOM 480 CA PHE A 63 -19.527 6.988 -8.931 1.00 0.00 C ATOM 481 C PHE A 63 -18.224 7.712 -9.369 1.00 0.00 C ATOM 482 O PHE A 63 -17.505 7.163 -10.208 1.00 0.00 O ATOM 483 CB PHE A 63 -20.876 7.695 -9.186 1.00 0.00 C ATOM 484 CG PHE A 63 -21.165 9.033 -8.502 1.00 0.00 C ATOM 485 CD1 PHE A 63 -21.210 9.158 -7.102 1.00 0.00 C ATOM 486 CD2 PHE A 63 -21.362 10.178 -9.278 1.00 0.00 C ATOM 487 CE1 PHE A 63 -21.385 10.404 -6.502 1.00 0.00 C ATOM 488 CE2 PHE A 63 -21.540 11.426 -8.679 1.00 0.00 C ATOM 489 CZ PHE A 63 -21.547 11.539 -7.290 1.00 0.00 C ATOM 0 H PHE A 63 -19.726 7.208 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 63 -19.596 6.147 -9.621 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -20.965 7.851 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -21.667 7.003 -8.898 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -21.108 8.278 -6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -21.377 10.096 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -21.395 10.488 -5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -21.672 12.305 -9.292 1.00 0.00 H new ATOM 0 HZ PHE A 63 -21.678 12.506 -6.826 1.00 0.00 H new ATOM 490 N LEU A 64 -17.901 8.891 -8.793 1.00 0.00 N ATOM 491 CA LEU A 64 -16.584 9.532 -8.967 1.00 0.00 C ATOM 492 C LEU A 64 -15.686 9.518 -7.692 1.00 0.00 C ATOM 493 O LEU A 64 -16.027 8.988 -6.631 1.00 0.00 O ATOM 494 CB LEU A 64 -16.986 11.006 -9.258 1.00 0.00 C ATOM 495 CG LEU A 64 -17.261 11.285 -10.753 1.00 0.00 C ATOM 496 CD1 LEU A 64 -18.609 10.860 -11.321 1.00 0.00 C ATOM 497 CD2 LEU A 64 -17.110 12.800 -10.866 1.00 0.00 C ATOM 0 H LEU A 64 -18.541 9.419 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.998 9.019 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -17.877 11.252 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.190 11.666 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.572 10.681 -11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -18.657 11.120 -12.378 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -18.729 9.783 -11.207 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -19.408 11.373 -10.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -17.286 13.107 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.834 13.288 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.102 13.088 -10.569 1.00 0.00 H new ATOM 498 N VAL A 65 -14.533 10.181 -7.876 1.00 0.00 N ATOM 499 CA VAL A 65 -13.764 10.857 -6.818 1.00 0.00 C ATOM 500 C VAL A 65 -12.776 9.933 -6.089 1.00 0.00 C ATOM 501 O VAL A 65 -13.181 9.049 -5.328 1.00 0.00 O ATOM 502 CB VAL A 65 -14.479 11.906 -5.912 1.00 0.00 C ATOM 503 CG1 VAL A 65 -15.325 12.952 -6.665 1.00 0.00 C ATOM 504 CG2 VAL A 65 -15.265 11.382 -4.714 1.00 0.00 C ATOM 0 H VAL A 65 -14.096 10.264 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.165 11.545 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.598 12.397 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.781 13.635 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.687 13.514 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -16.107 12.447 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.708 12.219 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.054 10.715 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.595 10.837 -4.049 1.00 0.00 H new ATOM 505 N ASP A 66 -11.484 10.175 -6.348 1.00 0.00 N ATOM 506 CA ASP A 66 -10.383 9.440 -5.713 1.00 0.00 C ATOM 507 C ASP A 66 -9.338 10.419 -5.127 1.00 0.00 C ATOM 508 O ASP A 66 -8.516 11.011 -5.832 1.00 0.00 O ATOM 509 CB ASP A 66 -9.665 8.362 -6.571 1.00 0.00 C ATOM 510 CG ASP A 66 -9.109 8.761 -7.931 1.00 0.00 C ATOM 511 OD1 ASP A 66 -9.814 8.961 -8.919 1.00 0.00 O ATOM 512 OD2 ASP A 66 -7.742 8.868 -7.922 1.00 0.00 O ATOM 0 H ASP A 66 -11.172 10.889 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.884 8.872 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.840 7.965 -5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.367 7.543 -6.728 1.00 0.00 H new ATOM 513 N ASN A 67 -9.383 10.490 -3.798 1.00 0.00 N ATOM 514 CA ASN A 67 -8.184 10.772 -2.970 1.00 0.00 C ATOM 515 C ASN A 67 -7.629 9.332 -2.677 1.00 0.00 C ATOM 516 O ASN A 67 -8.248 8.650 -1.852 1.00 0.00 O ATOM 517 CB ASN A 67 -8.462 11.653 -1.740 1.00 0.00 C ATOM 518 CG ASN A 67 -9.425 11.170 -0.657 1.00 0.00 C ATOM 519 OD1 ASN A 67 -9.014 10.560 0.330 1.00 0.00 O ATOM 520 ND2 ASN A 67 -10.713 11.433 -0.798 1.00 0.00 N ATOM 0 H ASN A 67 -10.237 10.357 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.443 11.395 -3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.504 11.849 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.837 12.609 -2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.376 11.130 -0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -11.043 11.939 -1.620 1.00 0.00 H new ATOM 521 N PRO A 68 -6.562 8.794 -3.345 1.00 0.00 N ATOM 522 CA PRO A 68 -6.237 7.327 -3.284 1.00 0.00 C ATOM 523 C PRO A 68 -5.401 6.870 -2.069 1.00 0.00 C ATOM 524 O PRO A 68 -4.279 6.390 -2.221 1.00 0.00 O ATOM 525 CB PRO A 68 -5.544 7.116 -4.661 1.00 0.00 C ATOM 526 CG PRO A 68 -4.793 8.441 -4.914 1.00 0.00 C ATOM 527 CD PRO A 68 -5.773 9.501 -4.378 1.00 0.00 C ATOM 0 HA PRO A 68 -7.118 6.705 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.859 6.268 -4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.272 6.915 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.839 8.471 -4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -4.579 8.588 -5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.242 10.354 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.414 9.885 -5.172 1.00 0.00 H new ATOM 528 N TYR A 69 -6.009 7.005 -0.888 1.00 0.00 N ATOM 529 CA TYR A 69 -5.472 6.569 0.414 1.00 0.00 C ATOM 530 C TYR A 69 -6.761 6.711 1.329 1.00 0.00 C ATOM 531 O TYR A 69 -6.976 7.856 1.742 1.00 0.00 O ATOM 532 CB TYR A 69 -4.361 7.455 1.081 1.00 0.00 C ATOM 533 CG TYR A 69 -2.838 7.408 0.722 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.231 6.434 -0.096 1.00 0.00 C ATOM 535 CD2 TYR A 69 -1.959 8.216 1.479 1.00 0.00 C ATOM 536 CE1 TYR A 69 -0.841 6.262 -0.143 1.00 0.00 C ATOM 537 CE2 TYR A 69 -0.563 8.052 1.419 1.00 0.00 C ATOM 538 CZ TYR A 69 -0.016 7.052 0.631 1.00 0.00 C ATOM 539 OH TYR A 69 1.300 6.728 0.746 1.00 0.00 O ATOM 0 H TYR A 69 -6.928 7.439 -0.804 1.00 0.00 H new ATOM 0 HA TYR A 69 -4.993 5.598 0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -4.672 8.489 0.930 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.422 7.257 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.857 5.800 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.371 8.980 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.414 5.508 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.082 8.706 1.987 1.00 0.00 H new ATOM 0 HH TYR A 69 1.485 5.919 0.224 1.00 0.00 H new ATOM 540 N THR A 70 -7.628 5.676 1.628 1.00 0.00 N ATOM 541 CA THR A 70 -8.729 5.905 2.598 1.00 0.00 C ATOM 542 C THR A 70 -9.674 4.742 3.073 1.00 0.00 C ATOM 543 O THR A 70 -9.992 4.747 4.263 1.00 0.00 O ATOM 544 CB THR A 70 -9.721 7.128 2.302 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.616 7.681 0.987 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.494 8.208 3.365 1.00 0.00 C ATOM 0 H THR A 70 -7.581 4.738 1.231 1.00 0.00 H new ATOM 0 HA THR A 70 -8.014 6.100 3.398 1.00 0.00 H new ATOM 0 HB THR A 70 -10.735 6.732 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.414 8.638 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.162 9.049 3.178 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.698 7.795 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.460 8.550 3.321 1.00 0.00 H new ATOM 547 N GLU A 71 -10.211 3.845 2.216 1.00 0.00 N ATOM 548 CA GLU A 71 -11.517 3.173 2.525 1.00 0.00 C ATOM 549 C GLU A 71 -11.731 2.242 3.766 1.00 0.00 C ATOM 550 O GLU A 71 -12.648 2.483 4.554 1.00 0.00 O ATOM 551 CB GLU A 71 -12.139 2.452 1.282 1.00 0.00 C ATOM 552 CG GLU A 71 -12.348 3.309 0.027 1.00 0.00 C ATOM 553 CD GLU A 71 -13.401 4.398 0.162 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.667 3.931 -0.091 1.00 0.00 O ATOM 555 OE2 GLU A 71 -13.136 5.562 0.462 1.00 0.00 O ATOM 0 H GLU A 71 -9.786 3.569 1.331 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.023 4.087 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.497 1.612 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.103 2.036 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.399 3.773 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.627 2.655 -0.799 1.00 0.00 H new ATOM 556 N SER A 72 -10.948 1.173 3.876 1.00 0.00 N ATOM 557 CA SER A 72 -11.304 -0.035 4.672 1.00 0.00 C ATOM 558 C SER A 72 -10.842 -0.122 6.159 1.00 0.00 C ATOM 559 O SER A 72 -10.460 0.872 6.772 1.00 0.00 O ATOM 560 CB SER A 72 -10.683 -1.152 3.758 1.00 0.00 C ATOM 561 OG SER A 72 -11.106 -2.452 4.142 1.00 0.00 O ATOM 0 H SER A 72 -10.039 1.103 3.419 1.00 0.00 H new ATOM 0 HA SER A 72 -12.377 -0.086 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.966 -0.971 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.595 -1.096 3.806 1.00 0.00 H new ATOM 0 HG SER A 72 -10.410 -2.875 4.687 1.00 0.00 H new ATOM 562 N TYR A 73 -10.990 -1.345 6.719 1.00 0.00 N ATOM 563 CA TYR A 73 -10.294 -1.906 7.886 1.00 0.00 C ATOM 564 C TYR A 73 -11.142 -2.191 9.137 1.00 0.00 C ATOM 565 O TYR A 73 -11.915 -1.356 9.614 1.00 0.00 O ATOM 566 CB TYR A 73 -8.970 -1.247 8.347 1.00 0.00 C ATOM 567 CG TYR A 73 -7.803 -1.784 7.565 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.563 -1.375 6.266 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.261 -2.985 8.016 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.869 -2.210 5.411 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.637 -3.859 7.144 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.418 -3.456 5.829 1.00 0.00 C ATOM 573 OH TYR A 73 -5.604 -4.181 5.022 1.00 0.00 O ATOM 0 H TYR A 73 -11.654 -2.014 6.330 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.036 -2.849 7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.033 -0.166 8.218 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.817 -1.433 9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.914 -0.413 5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.329 -3.238 9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.674 -1.888 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.325 -4.838 7.477 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.073 -4.801 5.565 1.00 0.00 H new ATOM 574 N SER A 74 -10.842 -3.397 9.665 1.00 0.00 N ATOM 575 CA SER A 74 -11.432 -4.008 10.878 1.00 0.00 C ATOM 576 C SER A 74 -10.630 -5.334 11.119 1.00 0.00 C ATOM 577 O SER A 74 -11.138 -6.440 10.914 1.00 0.00 O ATOM 578 CB SER A 74 -12.919 -4.174 10.521 1.00 0.00 C ATOM 579 OG SER A 74 -13.667 -4.874 11.494 1.00 0.00 O ATOM 0 H SER A 74 -10.144 -4.004 9.234 1.00 0.00 H new ATOM 0 HA SER A 74 -11.373 -3.446 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.360 -3.188 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.998 -4.699 9.569 1.00 0.00 H new ATOM 0 HG SER A 74 -13.224 -5.724 11.698 1.00 0.00 H new ATOM 580 N TYR A 75 -9.367 -5.195 11.557 1.00 0.00 N ATOM 581 CA TYR A 75 -8.315 -6.222 11.409 1.00 0.00 C ATOM 582 C TYR A 75 -7.898 -6.996 12.685 1.00 0.00 C ATOM 583 O TYR A 75 -8.703 -7.262 13.579 1.00 0.00 O ATOM 584 CB TYR A 75 -7.189 -5.378 10.694 1.00 0.00 C ATOM 585 CG TYR A 75 -6.529 -4.255 11.529 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.103 -2.997 11.826 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.317 -4.576 12.116 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.528 -2.178 12.801 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.762 -3.786 13.114 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.363 -2.581 13.462 1.00 0.00 C ATOM 591 OH TYR A 75 -4.786 -1.769 14.393 1.00 0.00 O ATOM 0 H TYR A 75 -9.041 -4.353 12.032 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.639 -7.097 10.845 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.407 -6.063 10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.617 -4.929 9.798 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.987 -2.669 11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.791 -5.461 11.790 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.985 -1.230 13.045 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.864 -4.107 13.620 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.985 -2.203 14.755 1.00 0.00 H new ATOM 592 N SER A 76 -6.617 -7.400 12.677 1.00 0.00 N ATOM 593 CA SER A 76 -6.008 -8.390 13.595 1.00 0.00 C ATOM 594 C SER A 76 -4.488 -8.069 13.841 1.00 0.00 C ATOM 595 O SER A 76 -4.075 -6.908 13.824 1.00 0.00 O ATOM 596 CB SER A 76 -6.101 -9.677 12.705 1.00 0.00 C ATOM 597 OG SER A 76 -5.917 -10.889 13.420 1.00 0.00 O ATOM 0 H SER A 76 -5.945 -7.033 12.004 1.00 0.00 H new ATOM 0 HA SER A 76 -6.480 -8.439 14.576 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.076 -9.699 12.218 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.351 -9.615 11.916 1.00 0.00 H new ATOM 0 HG SER A 76 -5.990 -11.647 12.803 1.00 0.00 H new ATOM 598 N CYS A 77 -3.732 -9.130 14.203 1.00 0.00 N ATOM 599 CA CYS A 77 -2.297 -9.341 13.910 1.00 0.00 C ATOM 600 C CYS A 77 -1.809 -10.506 14.795 1.00 0.00 C ATOM 601 O CYS A 77 -2.162 -10.612 15.976 1.00 0.00 O ATOM 602 CB CYS A 77 -1.410 -8.146 13.752 1.00 0.00 C ATOM 603 SG CYS A 77 0.237 -8.606 13.185 1.00 0.00 S ATOM 0 H CYS A 77 -4.129 -9.904 14.736 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.202 -9.633 12.864 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.858 -7.452 13.041 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.333 -7.622 14.705 1.00 0.00 H new ATOM 604 N SER A 78 -0.958 -11.349 14.215 1.00 0.00 N ATOM 605 CA SER A 78 -0.489 -12.603 14.869 1.00 0.00 C ATOM 606 C SER A 78 1.024 -12.470 15.145 1.00 0.00 C ATOM 607 O SER A 78 1.483 -11.486 15.735 1.00 0.00 O ATOM 608 CB SER A 78 -1.045 -13.790 14.038 1.00 0.00 C ATOM 609 OG SER A 78 -2.474 -13.803 14.069 1.00 0.00 O ATOM 0 H SER A 78 -0.567 -11.198 13.285 1.00 0.00 H new ATOM 0 HA SER A 78 -0.875 -12.808 15.868 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.699 -13.712 13.007 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.659 -14.730 14.433 1.00 0.00 H new ATOM 0 HG SER A 78 -2.806 -14.557 13.538 1.00 0.00 H new ATOM 610 N ASN A 79 1.768 -13.484 14.717 1.00 0.00 N ATOM 611 CA ASN A 79 3.234 -13.436 14.468 1.00 0.00 C ATOM 612 C ASN A 79 3.783 -12.109 13.805 1.00 0.00 C ATOM 613 O ASN A 79 4.808 -11.557 14.203 1.00 0.00 O ATOM 614 CB ASN A 79 3.486 -14.614 13.437 1.00 0.00 C ATOM 615 CG ASN A 79 3.602 -16.015 14.033 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.879 -16.217 15.216 1.00 0.00 O ATOM 617 ND2 ASN A 79 3.419 -17.029 13.207 1.00 0.00 N ATOM 0 H ASN A 79 1.368 -14.402 14.522 1.00 0.00 H new ATOM 0 HA ASN A 79 3.745 -13.504 15.429 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.672 -14.616 12.712 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.402 -14.398 12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.507 -17.986 13.548 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.190 -16.855 12.228 1.00 0.00 H new ATOM 618 N THR A 80 3.016 -11.722 12.795 1.00 0.00 N ATOM 619 CA THR A 80 3.234 -10.666 11.804 1.00 0.00 C ATOM 620 C THR A 80 1.889 -10.480 10.947 1.00 0.00 C ATOM 621 O THR A 80 1.626 -9.378 10.476 1.00 0.00 O ATOM 622 CB THR A 80 4.374 -10.957 10.773 1.00 0.00 C ATOM 623 OG1 THR A 80 4.132 -12.146 10.020 1.00 0.00 O ATOM 624 CG2 THR A 80 5.768 -11.080 11.365 1.00 0.00 C ATOM 0 H THR A 80 2.125 -12.190 12.628 1.00 0.00 H new ATOM 0 HA THR A 80 3.521 -9.785 12.378 1.00 0.00 H new ATOM 0 HB THR A 80 4.351 -10.071 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.867 -12.288 9.388 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.485 -11.282 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.034 -10.149 11.866 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.786 -11.898 12.085 1.00 0.00 H new ATOM 625 N GLU A 81 1.123 -11.573 10.760 1.00 0.00 N ATOM 626 CA GLU A 81 0.013 -11.698 9.813 1.00 0.00 C ATOM 627 C GLU A 81 -1.352 -11.380 10.405 1.00 0.00 C ATOM 628 O GLU A 81 -1.689 -11.769 11.522 1.00 0.00 O ATOM 629 CB GLU A 81 -0.059 -13.190 9.365 1.00 0.00 C ATOM 630 CG GLU A 81 1.160 -13.523 8.507 1.00 0.00 C ATOM 631 CD GLU A 81 1.116 -14.875 7.838 1.00 0.00 C ATOM 632 OE1 GLU A 81 1.603 -15.869 8.648 1.00 0.00 O ATOM 633 OE2 GLU A 81 0.691 -15.054 6.697 1.00 0.00 O ATOM 0 H GLU A 81 1.274 -12.429 11.293 1.00 0.00 H new ATOM 0 HA GLU A 81 0.212 -10.988 9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.092 -13.842 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.974 -13.368 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.266 -12.757 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.051 -13.472 9.132 1.00 0.00 H new ATOM 634 N ILE A 82 -2.171 -10.755 9.568 1.00 0.00 N ATOM 635 CA ILE A 82 -3.388 -10.061 10.048 1.00 0.00 C ATOM 636 C ILE A 82 -4.633 -10.781 9.462 1.00 0.00 C ATOM 637 O ILE A 82 -4.876 -11.940 9.809 1.00 0.00 O ATOM 638 CB ILE A 82 -3.134 -8.544 9.823 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.845 -7.988 10.491 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.224 -7.577 10.238 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.728 -7.672 9.536 1.00 0.00 C ATOM 0 H ILE A 82 -2.028 -10.707 8.559 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.619 -10.116 11.112 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.065 -8.570 8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.100 -7.083 11.043 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.487 -8.716 11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.907 -6.557 10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.137 -7.798 9.685 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.413 -7.679 11.307 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.129 -7.290 10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.440 -8.577 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.062 -6.919 8.822 1.00 0.00 H new ATOM 642 N THR A 83 -5.412 -10.063 8.647 1.00 0.00 N ATOM 643 CA THR A 83 -6.701 -10.528 8.048 1.00 0.00 C ATOM 644 C THR A 83 -7.180 -9.438 7.038 1.00 0.00 C ATOM 645 O THR A 83 -6.791 -9.586 5.885 1.00 0.00 O ATOM 646 CB THR A 83 -7.771 -11.049 9.040 1.00 0.00 C ATOM 647 OG1 THR A 83 -8.840 -11.660 8.316 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.347 -9.996 9.977 1.00 0.00 C ATOM 0 H THR A 83 -5.170 -9.112 8.368 1.00 0.00 H new ATOM 0 HA THR A 83 -6.514 -11.455 7.505 1.00 0.00 H new ATOM 0 HB THR A 83 -7.250 -11.766 9.675 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.515 -11.990 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.086 -10.457 10.632 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.546 -9.567 10.579 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.822 -9.209 9.392 1.00 0.00 H new ATOM 649 N CYS A 84 -8.089 -8.485 7.386 1.00 0.00 N ATOM 650 CA CYS A 84 -8.372 -7.244 6.651 1.00 0.00 C ATOM 651 C CYS A 84 -9.552 -6.530 7.371 1.00 0.00 C ATOM 652 O CYS A 84 -9.357 -5.502 8.017 1.00 0.00 O ATOM 653 CB CYS A 84 -8.491 -7.197 5.140 1.00 0.00 C ATOM 654 SG CYS A 84 -10.108 -7.459 4.445 1.00 0.00 S ATOM 0 H CYS A 84 -8.663 -8.576 8.224 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.418 -6.719 6.701 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.131 -6.225 4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.819 -7.947 4.724 1.00 0.00 H new ATOM 655 N ASN A 85 -10.763 -7.111 7.219 1.00 0.00 N ATOM 656 CA ASN A 85 -12.030 -6.551 7.711 1.00 0.00 C ATOM 657 C ASN A 85 -12.931 -7.652 8.345 1.00 0.00 C ATOM 658 O ASN A 85 -12.486 -8.783 8.577 1.00 0.00 O ATOM 659 CB ASN A 85 -12.662 -5.731 6.554 1.00 0.00 C ATOM 660 CG ASN A 85 -13.491 -6.413 5.460 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.499 -5.866 5.020 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.127 -7.594 4.987 1.00 0.00 N ATOM 0 H ASN A 85 -10.883 -8.003 6.739 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.878 -5.861 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.299 -4.974 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.848 -5.204 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.683 -8.046 4.261 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.291 -8.053 5.349 1.00 0.00 H new ATOM 663 N SER A 86 -14.203 -7.319 8.636 1.00 0.00 N ATOM 664 CA SER A 86 -15.216 -8.326 9.071 1.00 0.00 C ATOM 665 C SER A 86 -16.662 -8.152 8.489 1.00 0.00 C ATOM 666 O SER A 86 -17.546 -8.931 8.858 1.00 0.00 O ATOM 667 CB SER A 86 -15.244 -8.398 10.620 1.00 0.00 C ATOM 668 OG SER A 86 -15.699 -7.186 11.215 1.00 0.00 O ATOM 0 H SER A 86 -14.562 -6.366 8.581 1.00 0.00 H new ATOM 0 HA SER A 86 -14.882 -9.270 8.641 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.893 -9.217 10.931 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.244 -8.626 10.988 1.00 0.00 H new ATOM 0 HG SER A 86 -14.963 -6.540 11.245 1.00 0.00 H new ATOM 669 N LYS A 87 -16.889 -7.190 7.581 1.00 0.00 N ATOM 670 CA LYS A 87 -18.231 -6.787 7.113 1.00 0.00 C ATOM 671 C LYS A 87 -18.479 -7.143 5.607 1.00 0.00 C ATOM 672 O LYS A 87 -19.490 -7.776 5.295 1.00 0.00 O ATOM 673 CB LYS A 87 -18.399 -5.254 7.329 1.00 0.00 C ATOM 674 CG LYS A 87 -17.937 -4.607 8.646 1.00 0.00 C ATOM 675 CD LYS A 87 -18.472 -5.238 9.932 1.00 0.00 C ATOM 676 CE LYS A 87 -17.882 -4.552 11.175 1.00 0.00 C ATOM 677 NZ LYS A 87 -18.409 -5.139 12.419 1.00 0.00 N ATOM 0 H LYS A 87 -16.136 -6.660 7.143 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.968 -7.343 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -17.870 -4.753 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.458 -5.024 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.848 -4.635 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.229 -3.557 8.633 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.559 -5.162 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.227 -6.300 9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.796 -4.643 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.113 -3.487 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.990 -4.653 13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.443 -5.030 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.167 -6.150 12.456 1.00 0.00 H new ATOM 678 N ASN A 88 -17.569 -6.716 4.713 1.00 0.00 N ATOM 679 CA ASN A 88 -17.626 -6.941 3.260 1.00 0.00 C ATOM 680 C ASN A 88 -18.827 -6.452 2.413 1.00 0.00 C ATOM 681 O ASN A 88 -19.607 -7.232 1.860 1.00 0.00 O ATOM 682 CB ASN A 88 -17.012 -8.262 2.734 1.00 0.00 C ATOM 683 CG ASN A 88 -17.673 -9.572 3.132 1.00 0.00 C ATOM 684 OD1 ASN A 88 -17.507 -10.052 4.253 1.00 0.00 O ATOM 685 ND2 ASN A 88 -18.422 -10.194 2.237 1.00 0.00 N ATOM 0 H ASN A 88 -16.744 -6.186 4.994 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.917 -6.140 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.000 -8.213 1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.973 -8.300 3.063 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.869 -11.080 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.553 -9.788 1.311 1.00 0.00 H new ATOM 686 N ASN A 89 -18.876 -5.125 2.254 1.00 0.00 N ATOM 687 CA ASN A 89 -19.231 -4.517 0.940 1.00 0.00 C ATOM 688 C ASN A 89 -17.843 -4.122 0.355 1.00 0.00 C ATOM 689 O ASN A 89 -16.903 -3.759 1.075 1.00 0.00 O ATOM 690 CB ASN A 89 -20.187 -3.331 1.090 1.00 0.00 C ATOM 691 CG ASN A 89 -20.628 -2.645 -0.210 1.00 0.00 C ATOM 692 OD1 ASN A 89 -19.926 -1.791 -0.747 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.787 -2.991 -0.745 1.00 0.00 N ATOM 0 H ASN A 89 -18.681 -4.452 2.995 1.00 0.00 H new ATOM 0 HA ASN A 89 -19.780 -5.192 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -21.078 -3.674 1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -19.710 -2.585 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -22.103 -2.548 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.365 -3.700 -0.295 1.00 0.00 H new ATOM 694 N ALA A 90 -17.738 -4.181 -0.975 1.00 0.00 N ATOM 695 CA ALA A 90 -16.463 -3.890 -1.679 1.00 0.00 C ATOM 696 C ALA A 90 -15.847 -2.488 -1.418 1.00 0.00 C ATOM 697 O ALA A 90 -14.626 -2.366 -1.407 1.00 0.00 O ATOM 698 CB ALA A 90 -16.538 -4.341 -3.136 1.00 0.00 C ATOM 0 H ALA A 90 -18.511 -4.426 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.696 -4.507 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.594 -4.119 -3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.726 -5.414 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.347 -3.812 -3.639 1.00 0.00 H new ATOM 699 N CYS A 91 -16.647 -1.446 -1.133 1.00 0.00 N ATOM 700 CA CYS A 91 -16.190 -0.220 -0.397 1.00 0.00 C ATOM 701 C CYS A 91 -14.963 -0.401 0.571 1.00 0.00 C ATOM 702 O CYS A 91 -13.903 0.154 0.305 1.00 0.00 O ATOM 703 CB CYS A 91 -17.404 0.162 0.488 1.00 0.00 C ATOM 704 SG CYS A 91 -18.752 0.913 -0.424 1.00 0.00 S ATOM 0 H CYS A 91 -17.631 -1.415 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 91 -15.862 0.509 -1.138 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -17.771 -0.732 0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.074 0.852 1.265 1.00 0.00 H new ATOM 705 N GLU A 92 -15.122 -1.240 1.609 1.00 0.00 N ATOM 706 CA GLU A 92 -14.037 -1.668 2.492 1.00 0.00 C ATOM 707 C GLU A 92 -13.346 -2.894 1.882 1.00 0.00 C ATOM 708 O GLU A 92 -12.209 -2.736 1.457 1.00 0.00 O ATOM 709 CB GLU A 92 -14.482 -1.888 3.955 1.00 0.00 C ATOM 710 CG GLU A 92 -15.698 -2.790 4.185 1.00 0.00 C ATOM 711 CD GLU A 92 -16.119 -2.792 5.646 1.00 0.00 C ATOM 712 OE1 GLU A 92 -15.488 -3.369 6.532 1.00 0.00 O ATOM 713 OE2 GLU A 92 -17.273 -2.081 5.856 1.00 0.00 O ATOM 0 H GLU A 92 -16.025 -1.643 1.857 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.313 -0.856 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.640 -2.308 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.696 -0.913 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.528 -2.449 3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -15.463 -3.807 3.871 1.00 0.00 H new ATOM 714 N ALA A 93 -14.009 -4.064 1.784 1.00 0.00 N ATOM 715 CA ALA A 93 -13.338 -5.313 1.411 1.00 0.00 C ATOM 716 C ALA A 93 -12.597 -5.390 0.076 1.00 0.00 C ATOM 717 O ALA A 93 -11.602 -6.119 0.024 1.00 0.00 O ATOM 718 CB ALA A 93 -14.256 -6.526 1.468 1.00 0.00 C ATOM 0 H ALA A 93 -15.009 -4.164 1.959 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.571 -5.319 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.699 -7.418 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.637 -6.647 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.091 -6.383 0.782 1.00 0.00 H new ATOM 719 N PHE A 94 -13.059 -4.694 -0.996 1.00 0.00 N ATOM 720 CA PHE A 94 -12.235 -4.668 -2.260 1.00 0.00 C ATOM 721 C PHE A 94 -10.929 -3.879 -2.038 1.00 0.00 C ATOM 722 O PHE A 94 -9.878 -4.297 -2.532 1.00 0.00 O ATOM 723 CB PHE A 94 -13.107 -4.270 -3.461 1.00 0.00 C ATOM 724 CG PHE A 94 -12.510 -3.660 -4.731 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.719 -2.508 -4.680 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.967 -4.083 -5.981 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.310 -1.852 -5.831 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.554 -3.440 -7.151 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.708 -2.330 -7.069 1.00 0.00 C ATOM 0 H PHE A 94 -13.935 -4.173 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.882 -5.665 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.648 -5.166 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.848 -3.561 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.419 -2.119 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.649 -4.918 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.685 -0.974 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.887 -3.799 -8.114 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.365 -1.845 -7.971 1.00 0.00 H new ATOM 730 N ILE A 95 -11.022 -2.730 -1.335 1.00 0.00 N ATOM 731 CA ILE A 95 -9.844 -1.884 -1.033 1.00 0.00 C ATOM 732 C ILE A 95 -8.912 -2.628 -0.025 1.00 0.00 C ATOM 733 O ILE A 95 -7.707 -2.640 -0.260 1.00 0.00 O ATOM 734 CB ILE A 95 -10.328 -0.455 -0.618 1.00 0.00 C ATOM 735 CG1 ILE A 95 -10.841 0.333 -1.861 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.198 0.377 0.028 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.274 0.058 -2.310 1.00 0.00 C ATOM 0 H ILE A 95 -11.900 -2.366 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.216 -1.718 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.128 -0.602 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.751 1.398 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.176 0.117 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.580 1.361 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.837 -0.132 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.378 0.490 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.505 0.669 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.379 -0.996 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.962 0.305 -1.502 1.00 0.00 H new ATOM 738 N CYS A 96 -9.485 -3.280 1.012 1.00 0.00 N ATOM 739 CA CYS A 96 -8.797 -4.240 1.898 1.00 0.00 C ATOM 740 C CYS A 96 -7.971 -5.338 1.194 1.00 0.00 C ATOM 741 O CYS A 96 -6.897 -5.665 1.701 1.00 0.00 O ATOM 742 CB CYS A 96 -9.836 -4.876 2.856 1.00 0.00 C ATOM 743 SG CYS A 96 -10.052 -6.651 2.639 1.00 0.00 S ATOM 0 H CYS A 96 -10.465 -3.148 1.260 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.053 -3.657 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.532 -4.682 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.797 -4.384 2.709 1.00 0.00 H new ATOM 744 N ASN A 97 -8.458 -5.910 0.064 1.00 0.00 N ATOM 745 CA ASN A 97 -7.652 -6.907 -0.711 1.00 0.00 C ATOM 746 C ASN A 97 -6.367 -6.341 -1.359 1.00 0.00 C ATOM 747 O ASN A 97 -5.341 -7.028 -1.327 1.00 0.00 O ATOM 748 CB ASN A 97 -8.568 -7.559 -1.766 1.00 0.00 C ATOM 749 CG ASN A 97 -8.139 -8.930 -2.292 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.260 -9.608 -1.758 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.772 -9.380 -3.361 1.00 0.00 N ATOM 0 H ASN A 97 -9.378 -5.710 -0.328 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.286 -7.647 0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.566 -7.655 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.649 -6.879 -2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.534 -10.293 -3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.499 -8.814 -3.799 1.00 0.00 H new ATOM 752 N CYS A 98 -6.411 -5.116 -1.907 1.00 0.00 N ATOM 753 CA CYS A 98 -5.176 -4.405 -2.300 1.00 0.00 C ATOM 754 C CYS A 98 -4.320 -3.965 -1.085 1.00 0.00 C ATOM 755 O CYS A 98 -3.102 -4.126 -1.176 1.00 0.00 O ATOM 756 CB CYS A 98 -5.537 -3.316 -3.316 1.00 0.00 C ATOM 757 SG CYS A 98 -6.029 -4.210 -4.824 1.00 0.00 S ATOM 0 H CYS A 98 -7.273 -4.601 -2.087 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.491 -5.083 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.349 -2.688 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.688 -2.659 -3.507 1.00 0.00 H new ATOM 758 N ASP A 99 -4.905 -3.487 0.047 1.00 0.00 N ATOM 759 CA ASP A 99 -4.155 -3.160 1.289 1.00 0.00 C ATOM 760 C ASP A 99 -3.345 -4.348 1.832 1.00 0.00 C ATOM 761 O ASP A 99 -2.124 -4.259 1.815 1.00 0.00 O ATOM 762 CB ASP A 99 -5.026 -2.543 2.394 1.00 0.00 C ATOM 763 CG ASP A 99 -5.595 -1.163 2.123 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.742 -0.169 2.512 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.706 -0.965 1.645 1.00 0.00 O ATOM 0 H ASP A 99 -5.908 -3.318 0.123 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.447 -2.391 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.857 -3.221 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.432 -2.493 3.307 1.00 0.00 H new ATOM 766 N ARG A 100 -3.985 -5.442 2.236 1.00 0.00 N ATOM 767 CA ARG A 100 -3.283 -6.656 2.665 1.00 0.00 C ATOM 768 C ARG A 100 -2.346 -7.306 1.646 1.00 0.00 C ATOM 769 O ARG A 100 -1.293 -7.733 2.105 1.00 0.00 O ATOM 770 CB ARG A 100 -4.290 -7.723 3.089 1.00 0.00 C ATOM 771 CG ARG A 100 -5.040 -7.406 4.377 1.00 0.00 C ATOM 772 CD ARG A 100 -4.235 -7.508 5.677 1.00 0.00 C ATOM 773 NE ARG A 100 -3.870 -8.916 5.900 1.00 0.00 N ATOM 774 CZ ARG A 100 -2.637 -9.394 6.122 1.00 0.00 C ATOM 775 NH1 ARG A 100 -1.553 -8.641 6.248 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.495 -10.701 6.223 1.00 0.00 N ATOM 0 H ARG A 100 -5.002 -5.516 2.277 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.654 -6.301 3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.014 -7.861 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.766 -8.671 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.438 -6.394 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.894 -8.080 4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.339 -6.891 5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.823 -7.133 6.515 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.630 -9.596 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.626 -7.626 6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -0.646 -9.077 6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.308 -11.311 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.573 -11.102 6.392 1.00 0.00 H new ATOM 777 N ASN A 101 -2.639 -7.412 0.329 1.00 0.00 N ATOM 778 CA ASN A 101 -1.580 -7.925 -0.599 1.00 0.00 C ATOM 779 C ASN A 101 -0.372 -6.920 -0.775 1.00 0.00 C ATOM 780 O ASN A 101 0.708 -7.365 -1.160 1.00 0.00 O ATOM 781 CB ASN A 101 -2.229 -8.341 -1.930 1.00 0.00 C ATOM 782 CG ASN A 101 -1.334 -9.173 -2.853 1.00 0.00 C ATOM 783 OD1 ASN A 101 -0.626 -8.636 -3.704 1.00 0.00 O ATOM 784 ND2 ASN A 101 -1.339 -10.488 -2.709 1.00 0.00 N ATOM 0 H ASN A 101 -3.531 -7.171 -0.102 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.124 -8.809 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.133 -8.911 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.539 -7.442 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.751 -11.069 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.930 -10.921 -2.000 1.00 0.00 H new ATOM 785 N ALA A 102 -0.547 -5.623 -0.455 1.00 0.00 N ATOM 786 CA ALA A 102 0.565 -4.697 -0.174 1.00 0.00 C ATOM 787 C ALA A 102 1.156 -4.866 1.267 1.00 0.00 C ATOM 788 O ALA A 102 2.350 -4.633 1.379 1.00 0.00 O ATOM 789 CB ALA A 102 0.107 -3.264 -0.454 1.00 0.00 C ATOM 0 H ALA A 102 -1.467 -5.188 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 102 1.391 -4.942 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.925 -2.574 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.189 -3.174 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.742 -3.022 0.186 1.00 0.00 H new ATOM 790 N ALA A 103 0.426 -5.283 2.340 1.00 0.00 N ATOM 791 CA ALA A 103 1.070 -5.709 3.640 1.00 0.00 C ATOM 792 C ALA A 103 2.046 -6.924 3.563 1.00 0.00 C ATOM 793 O ALA A 103 3.030 -6.995 4.288 1.00 0.00 O ATOM 794 CB ALA A 103 -0.009 -5.963 4.696 1.00 0.00 C ATOM 0 H ALA A 103 -0.593 -5.337 2.343 1.00 0.00 H new ATOM 0 HA ALA A 103 1.709 -4.871 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.461 -6.270 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.580 -5.049 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.678 -6.751 4.351 1.00 0.00 H new ATOM 795 N ILE A 104 1.708 -7.794 2.633 1.00 0.00 N ATOM 796 CA ILE A 104 2.441 -8.966 2.086 1.00 0.00 C ATOM 797 C ILE A 104 3.624 -8.420 1.355 1.00 0.00 C ATOM 798 O ILE A 104 4.650 -8.312 1.995 1.00 0.00 O ATOM 799 CB ILE A 104 1.325 -9.668 1.248 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.392 -10.576 2.074 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.679 -10.416 -0.039 1.00 0.00 C ATOM 802 CD1 ILE A 104 0.164 -10.141 3.503 1.00 0.00 C ATOM 0 H ILE A 104 0.803 -7.702 2.172 1.00 0.00 H new ATOM 0 HA ILE A 104 2.873 -9.698 2.769 1.00 0.00 H new ATOM 0 HB ILE A 104 0.831 -8.756 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.573 -10.631 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.806 -11.584 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.773 -10.835 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.139 -9.726 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.378 -11.221 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.506 -10.846 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.117 -10.115 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.284 -9.147 3.514 1.00 0.00 H new ATOM 803 N CYS A 105 3.462 -7.928 0.128 1.00 0.00 N ATOM 804 CA CYS A 105 4.551 -7.312 -0.652 1.00 0.00 C ATOM 805 C CYS A 105 5.556 -6.449 0.182 1.00 0.00 C ATOM 806 O CYS A 105 6.766 -6.618 0.080 1.00 0.00 O ATOM 807 CB CYS A 105 3.962 -6.397 -1.716 1.00 0.00 C ATOM 808 SG CYS A 105 2.922 -7.151 -2.947 1.00 0.00 S ATOM 0 H CYS A 105 2.568 -7.942 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 105 5.105 -8.154 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.384 -5.622 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.786 -5.899 -2.228 1.00 0.00 H new ATOM 809 N PHE A 106 5.026 -5.653 1.114 1.00 0.00 N ATOM 810 CA PHE A 106 5.869 -4.839 2.011 1.00 0.00 C ATOM 811 C PHE A 106 6.541 -5.615 3.144 1.00 0.00 C ATOM 812 O PHE A 106 7.725 -5.373 3.405 1.00 0.00 O ATOM 813 CB PHE A 106 5.076 -3.627 2.443 1.00 0.00 C ATOM 814 CG PHE A 106 4.652 -2.680 1.282 1.00 0.00 C ATOM 815 CD1 PHE A 106 5.146 -2.684 -0.063 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.570 -1.869 1.585 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.550 -1.873 -1.022 1.00 0.00 C ATOM 818 CE2 PHE A 106 3.005 -1.032 0.636 1.00 0.00 C ATOM 819 CZ PHE A 106 3.490 -1.039 -0.667 1.00 0.00 C ATOM 0 H PHE A 106 4.023 -5.551 1.271 1.00 0.00 H new ATOM 0 HA PHE A 106 6.741 -4.497 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.180 -3.963 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.669 -3.058 3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.980 -3.316 -0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.158 -1.890 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.907 -1.889 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.191 -0.377 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.043 -0.394 -1.409 1.00 0.00 H new ATOM 820 N SER A 107 5.844 -6.580 3.767 1.00 0.00 N ATOM 821 CA SER A 107 6.546 -7.569 4.621 1.00 0.00 C ATOM 822 C SER A 107 7.558 -8.538 3.960 1.00 0.00 C ATOM 823 O SER A 107 8.449 -9.044 4.648 1.00 0.00 O ATOM 824 CB SER A 107 5.589 -8.355 5.530 1.00 0.00 C ATOM 825 OG SER A 107 4.667 -9.171 4.822 1.00 0.00 O ATOM 0 H SER A 107 4.833 -6.701 3.704 1.00 0.00 H new ATOM 0 HA SER A 107 7.177 -6.899 5.206 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.174 -8.983 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.035 -7.652 6.152 1.00 0.00 H new ATOM 0 HG SER A 107 3.926 -8.619 4.495 1.00 0.00 H new ATOM 826 N LYS A 108 7.400 -8.779 2.657 1.00 0.00 N ATOM 827 CA LYS A 108 8.057 -9.881 1.964 1.00 0.00 C ATOM 828 C LYS A 108 8.461 -9.425 0.556 1.00 0.00 C ATOM 829 O LYS A 108 9.549 -8.849 0.480 1.00 0.00 O ATOM 830 CB LYS A 108 7.321 -11.228 2.141 1.00 0.00 C ATOM 831 CG LYS A 108 5.812 -11.220 2.432 1.00 0.00 C ATOM 832 CD LYS A 108 4.995 -12.240 1.653 1.00 0.00 C ATOM 833 CE LYS A 108 5.060 -12.106 0.119 1.00 0.00 C ATOM 834 NZ LYS A 108 4.233 -13.135 -0.538 1.00 0.00 N ATOM 0 H LYS A 108 6.808 -8.210 2.052 1.00 0.00 H new ATOM 0 HA LYS A 108 9.006 -10.140 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.478 -11.810 1.233 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.810 -11.766 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.663 -11.397 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.422 -10.225 2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.334 -13.239 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.953 -12.160 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.717 -11.115 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.094 -12.198 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.128 -12.904 -1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.692 -14.063 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.295 -13.164 -0.090 1.00 0.00 H new ATOM 835 N ALA A 109 7.686 -9.634 -0.561 1.00 0.00 N ATOM 836 CA ALA A 109 8.276 -9.444 -1.947 1.00 0.00 C ATOM 837 C ALA A 109 9.672 -10.149 -2.110 1.00 0.00 C ATOM 838 O ALA A 109 9.895 -11.165 -1.441 1.00 0.00 O ATOM 839 CB ALA A 109 8.100 -7.970 -2.288 1.00 0.00 C ATOM 0 H ALA A 109 6.706 -9.918 -0.543 1.00 0.00 H new ATOM 0 HA ALA A 109 7.755 -9.979 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.509 -7.775 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.040 -7.718 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.626 -7.361 -1.552 1.00 0.00 H new ATOM 840 N PRO A 110 10.612 -9.699 -2.944 1.00 0.00 N ATOM 841 CA PRO A 110 12.029 -10.201 -2.955 1.00 0.00 C ATOM 842 C PRO A 110 13.051 -9.274 -2.153 1.00 0.00 C ATOM 843 O PRO A 110 14.254 -9.301 -2.418 1.00 0.00 O ATOM 844 CB PRO A 110 12.301 -9.964 -4.477 1.00 0.00 C ATOM 845 CG PRO A 110 11.712 -8.566 -4.657 1.00 0.00 C ATOM 846 CD PRO A 110 10.389 -8.670 -3.958 1.00 0.00 C ATOM 0 HA PRO A 110 12.149 -11.195 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.364 -9.999 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.807 -10.705 -5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.346 -7.800 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.594 -8.309 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 110 10.098 -7.721 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.593 -8.953 -4.647 1.00 0.00 H new ATOM 847 N TYR A 111 12.498 -8.542 -1.173 1.00 0.00 N ATOM 848 CA TYR A 111 12.959 -7.204 -0.729 1.00 0.00 C ATOM 849 C TYR A 111 14.479 -6.923 -0.705 1.00 0.00 C ATOM 850 O TYR A 111 15.276 -7.676 -0.132 1.00 0.00 O ATOM 851 CB TYR A 111 12.533 -7.183 0.806 1.00 0.00 C ATOM 852 CG TYR A 111 12.309 -5.791 1.385 1.00 0.00 C ATOM 853 CD1 TYR A 111 13.298 -4.867 1.823 1.00 0.00 C ATOM 854 CD2 TYR A 111 11.006 -5.359 1.255 1.00 0.00 C ATOM 855 CE1 TYR A 111 12.925 -3.551 2.128 1.00 0.00 C ATOM 856 CE2 TYR A 111 10.681 -4.016 1.400 1.00 0.00 C ATOM 857 CZ TYR A 111 11.622 -3.113 1.882 1.00 0.00 C ATOM 858 OH TYR A 111 11.355 -1.777 1.911 1.00 0.00 O ATOM 0 H TYR A 111 11.689 -8.871 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 111 12.543 -6.478 -1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.617 -7.762 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.304 -7.685 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 111 14.328 -5.177 1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.227 -6.075 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.649 -2.872 2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.692 -3.671 1.137 1.00 0.00 H new ATOM 0 HH TYR A 111 10.405 -1.629 1.720 1.00 0.00 H new ATOM 859 N ASN A 112 14.846 -5.848 -1.416 1.00 0.00 N ATOM 860 CA ASN A 112 16.251 -5.410 -1.542 1.00 0.00 C ATOM 861 C ASN A 112 16.194 -3.886 -1.250 1.00 0.00 C ATOM 862 O ASN A 112 15.598 -3.072 -1.958 1.00 0.00 O ATOM 863 CB ASN A 112 16.856 -5.681 -2.935 1.00 0.00 C ATOM 864 CG ASN A 112 17.028 -7.158 -3.296 1.00 0.00 C ATOM 865 OD1 ASN A 112 16.207 -7.736 -4.008 1.00 0.00 O ATOM 866 ND2 ASN A 112 18.085 -7.799 -2.825 1.00 0.00 N ATOM 0 H ASN A 112 14.184 -5.257 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 112 16.897 -5.962 -0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 112 16.221 -5.212 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 112 17.830 -5.194 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 112 18.227 -8.784 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 112 18.758 -7.309 -2.236 1.00 0.00 H new ATOM 867 N LYS A 113 16.916 -3.607 -0.179 1.00 0.00 N ATOM 868 CA LYS A 113 16.966 -2.369 0.606 1.00 0.00 C ATOM 869 C LYS A 113 18.215 -1.536 0.318 1.00 0.00 C ATOM 870 O LYS A 113 19.260 -1.579 0.973 1.00 0.00 O ATOM 871 CB LYS A 113 16.795 -2.821 2.067 1.00 0.00 C ATOM 872 CG LYS A 113 17.826 -3.800 2.692 1.00 0.00 C ATOM 873 CD LYS A 113 17.956 -5.223 2.125 1.00 0.00 C ATOM 874 CE LYS A 113 19.114 -5.452 1.124 1.00 0.00 C ATOM 875 NZ LYS A 113 20.418 -5.653 1.783 1.00 0.00 N ATOM 0 H LYS A 113 17.548 -4.308 0.208 1.00 0.00 H new ATOM 0 HA LYS A 113 16.173 -1.670 0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 113 16.780 -1.924 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.812 -3.284 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 113 18.807 -3.330 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.590 -3.891 3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.080 -5.915 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.019 -5.483 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.887 -6.322 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.181 -4.596 0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 21.152 -5.801 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.654 -4.813 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 20.369 -6.487 2.403 1.00 0.00 H new ATOM 876 N GLU A 114 18.063 -0.844 -0.818 1.00 0.00 N ATOM 877 CA GLU A 114 19.163 -0.729 -1.798 1.00 0.00 C ATOM 878 C GLU A 114 18.865 0.511 -2.639 1.00 0.00 C ATOM 879 O GLU A 114 19.669 1.448 -2.619 1.00 0.00 O ATOM 880 CB GLU A 114 19.241 -2.184 -2.312 1.00 0.00 C ATOM 881 CG GLU A 114 19.383 -2.388 -3.770 1.00 0.00 C ATOM 882 CD GLU A 114 20.718 -2.137 -4.408 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.531 -3.240 -4.357 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.037 -1.061 -4.915 1.00 0.00 O ATOM 0 H GLU A 114 17.205 -0.360 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 114 20.195 -0.488 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.085 -2.669 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 114 18.340 -2.704 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.101 -3.418 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.654 -1.746 -4.266 1.00 0.00 H new ATOM 885 N HIS A 115 17.695 0.569 -3.310 1.00 0.00 N ATOM 886 CA HIS A 115 17.082 1.814 -3.773 1.00 0.00 C ATOM 887 C HIS A 115 16.127 2.305 -2.614 1.00 0.00 C ATOM 888 O HIS A 115 14.905 2.355 -2.714 1.00 0.00 O ATOM 889 CB HIS A 115 16.479 1.658 -5.205 1.00 0.00 C ATOM 890 CG HIS A 115 15.396 0.619 -5.432 1.00 0.00 C ATOM 891 ND1 HIS A 115 14.132 0.865 -4.946 1.00 0.00 N ATOM 892 CD2 HIS A 115 15.725 -0.734 -5.288 1.00 0.00 C ATOM 893 CE1 HIS A 115 13.969 -0.294 -4.243 1.00 0.00 C ATOM 894 NE2 HIS A 115 14.795 -1.363 -4.487 1.00 0.00 N ATOM 0 H HIS A 115 17.150 -0.261 -3.544 1.00 0.00 H new ATOM 0 HA HIS A 115 17.799 2.617 -3.940 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.075 2.626 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 115 17.300 1.434 -5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.581 -1.215 -5.738 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.192 -0.370 -3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.738 -2.331 -4.171 1.00 0.00 H new ATOM 895 N LYS A 116 16.710 2.702 -1.497 1.00 0.00 N ATOM 896 CA LYS A 116 16.156 3.522 -0.448 1.00 0.00 C ATOM 897 C LYS A 116 16.742 4.921 -0.735 1.00 0.00 C ATOM 898 O LYS A 116 17.850 5.080 -1.280 1.00 0.00 O ATOM 899 CB LYS A 116 16.870 2.868 0.762 1.00 0.00 C ATOM 900 CG LYS A 116 16.859 3.731 2.002 1.00 0.00 C ATOM 901 CD LYS A 116 15.795 3.287 2.966 1.00 0.00 C ATOM 902 CE LYS A 116 15.564 4.355 4.032 1.00 0.00 C ATOM 903 NZ LYS A 116 14.751 3.879 5.164 1.00 0.00 N ATOM 0 H LYS A 116 17.671 2.431 -1.288 1.00 0.00 H new ATOM 0 HA LYS A 116 15.075 3.596 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 116 16.390 1.916 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.902 2.648 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.834 3.687 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.689 4.771 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.867 3.093 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 116 16.091 2.350 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.528 4.701 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.072 5.214 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.630 4.649 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.819 3.574 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.229 3.077 5.622 1.00 0.00 H new ATOM 904 N ASN A 117 16.105 5.944 -0.149 1.00 0.00 N ATOM 905 CA ASN A 117 16.786 7.284 0.022 1.00 0.00 C ATOM 906 C ASN A 117 16.875 8.176 -1.267 1.00 0.00 C ATOM 907 O ASN A 117 17.532 9.217 -1.307 1.00 0.00 O ATOM 908 CB ASN A 117 18.136 7.038 0.772 1.00 0.00 C ATOM 909 CG ASN A 117 18.449 8.001 1.897 1.00 0.00 C ATOM 910 OD1 ASN A 117 18.980 9.088 1.676 1.00 0.00 O ATOM 911 ND2 ASN A 117 18.128 7.635 3.127 1.00 0.00 N ATOM 0 H ASN A 117 15.152 5.899 0.211 1.00 0.00 H new ATOM 0 HA ASN A 117 16.152 7.925 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 117 18.126 6.026 1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.947 7.082 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 117 18.320 8.258 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 117 17.688 6.730 3.291 1.00 0.00 H new ATOM 912 N LEU A 118 16.114 7.686 -2.245 1.00 0.00 N ATOM 913 CA LEU A 118 15.841 8.244 -3.567 1.00 0.00 C ATOM 914 C LEU A 118 15.143 9.649 -3.579 1.00 0.00 C ATOM 915 O LEU A 118 15.531 10.593 -2.889 1.00 0.00 O ATOM 916 CB LEU A 118 15.163 7.104 -4.363 1.00 0.00 C ATOM 917 CG LEU A 118 16.084 6.113 -5.077 1.00 0.00 C ATOM 918 CD1 LEU A 118 16.587 4.922 -4.334 1.00 0.00 C ATOM 919 CD2 LEU A 118 15.199 5.377 -6.100 1.00 0.00 C ATOM 0 H LEU A 118 15.625 6.800 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 118 16.760 8.539 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.528 6.543 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.507 7.554 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 118 16.923 6.741 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.225 4.328 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.161 5.250 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.743 4.317 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.801 4.651 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.393 4.861 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.776 6.097 -6.800 1.00 0.00 H new ATOM 920 N ASP A 119 14.215 9.771 -4.534 1.00 0.00 N ATOM 921 CA ASP A 119 14.173 10.817 -5.565 1.00 0.00 C ATOM 922 C ASP A 119 13.182 10.161 -6.660 1.00 0.00 C ATOM 923 O ASP A 119 12.609 9.084 -6.446 1.00 0.00 O ATOM 924 CB ASP A 119 15.623 11.069 -6.031 1.00 0.00 C ATOM 925 CG ASP A 119 16.201 12.434 -5.722 1.00 0.00 C ATOM 926 OD1 ASP A 119 16.080 12.995 -4.633 1.00 0.00 O ATOM 927 OD2 ASP A 119 16.886 12.961 -6.785 1.00 0.00 O ATOM 0 H ASP A 119 13.438 9.115 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 119 13.807 11.803 -5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.265 10.315 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.667 10.915 -7.109 1.00 0.00 H new ATOM 928 N THR A 120 12.906 10.875 -7.771 1.00 0.00 N ATOM 929 CA THR A 120 11.885 10.481 -8.805 1.00 0.00 C ATOM 930 C THR A 120 12.293 10.982 -10.223 1.00 0.00 C ATOM 931 O THR A 120 11.660 11.896 -10.760 1.00 0.00 O ATOM 932 CB THR A 120 10.433 10.886 -8.382 1.00 0.00 C ATOM 933 OG1 THR A 120 10.247 12.294 -8.298 1.00 0.00 O ATOM 934 CG2 THR A 120 10.112 10.243 -7.029 1.00 0.00 C ATOM 0 H THR A 120 13.381 11.750 -7.992 1.00 0.00 H new ATOM 0 HA THR A 120 11.869 9.393 -8.866 1.00 0.00 H new ATOM 0 HB THR A 120 9.756 10.527 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.631 12.723 -9.091 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.102 10.519 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 120 10.181 9.159 -7.116 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.824 10.593 -6.282 1.00 0.00 H new ATOM 935 N LYS A 121 13.303 10.323 -10.857 1.00 0.00 N ATOM 936 CA LYS A 121 13.708 10.599 -12.281 1.00 0.00 C ATOM 937 C LYS A 121 14.505 9.367 -12.857 1.00 0.00 C ATOM 938 O LYS A 121 14.018 8.680 -13.756 1.00 0.00 O ATOM 939 CB LYS A 121 14.316 12.002 -12.430 1.00 0.00 C ATOM 940 CG LYS A 121 15.723 12.193 -11.888 1.00 0.00 C ATOM 941 CD LYS A 121 15.997 13.541 -11.214 1.00 0.00 C ATOM 942 CE LYS A 121 15.291 13.683 -9.848 1.00 0.00 C ATOM 943 NZ LYS A 121 15.589 14.981 -9.219 1.00 0.00 N ATOM 0 H LYS A 121 13.858 9.593 -10.409 1.00 0.00 H new ATOM 0 HA LYS A 121 12.844 10.670 -12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.320 12.261 -13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.659 12.713 -11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.926 11.400 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.429 12.068 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.072 13.661 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.668 14.345 -11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.214 13.581 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.608 12.876 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 15.099 15.044 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 16.615 15.067 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.264 15.750 -9.839 1.00 0.00 H new ATOM 944 N LYS A 122 15.655 9.051 -12.247 1.00 0.00 N ATOM 945 CA LYS A 122 16.335 7.729 -12.242 1.00 0.00 C ATOM 946 C LYS A 122 15.417 6.540 -11.653 1.00 0.00 C ATOM 947 O LYS A 122 15.133 5.503 -12.246 1.00 0.00 O ATOM 948 CB LYS A 122 17.476 8.026 -11.139 1.00 0.00 C ATOM 949 CG LYS A 122 18.841 8.099 -11.686 1.00 0.00 C ATOM 950 CD LYS A 122 19.976 8.345 -10.710 1.00 0.00 C ATOM 951 CE LYS A 122 20.421 9.812 -10.781 1.00 0.00 C ATOM 952 NZ LYS A 122 21.599 10.092 -9.942 1.00 0.00 N ATOM 0 H LYS A 122 16.174 9.745 -11.709 1.00 0.00 H new ATOM 0 HA LYS A 122 16.640 7.408 -13.238 1.00 0.00 H new ATOM 0 HB2 LYS A 122 17.246 8.967 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 122 17.443 7.245 -10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 122 19.044 7.164 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 122 18.862 8.893 -12.433 1.00 0.00 H new ATOM 0 HD2 LYS A 122 19.654 8.103 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.816 7.690 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 122 20.648 10.068 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.597 10.453 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 22.143 10.874 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.289 10.356 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 22.198 9.243 -9.890 1.00 0.00 H new ATOM 953 N TYR A 123 14.945 6.977 -10.513 1.00 0.00 N ATOM 954 CA TYR A 123 14.018 6.560 -9.514 1.00 0.00 C ATOM 955 C TYR A 123 12.599 6.481 -10.144 1.00 0.00 C ATOM 956 O TYR A 123 12.157 5.355 -10.352 1.00 0.00 O ATOM 957 CB TYR A 123 14.275 7.821 -8.585 1.00 0.00 C ATOM 958 CG TYR A 123 15.647 8.568 -8.391 1.00 0.00 C ATOM 959 CD1 TYR A 123 16.699 7.989 -7.716 1.00 0.00 C ATOM 960 CD2 TYR A 123 15.886 9.788 -9.006 1.00 0.00 C ATOM 961 CE1 TYR A 123 17.898 8.669 -7.523 1.00 0.00 C ATOM 962 CE2 TYR A 123 17.123 10.458 -8.847 1.00 0.00 C ATOM 963 CZ TYR A 123 18.111 9.919 -8.070 1.00 0.00 C ATOM 964 OH TYR A 123 19.282 10.585 -7.852 1.00 0.00 O ATOM 0 H TYR A 123 15.317 7.875 -10.204 1.00 0.00 H new ATOM 0 HA TYR A 123 14.112 5.590 -9.026 1.00 0.00 H new ATOM 0 HB2 TYR A 123 13.572 8.582 -8.922 1.00 0.00 H new ATOM 0 HB3 TYR A 123 13.962 7.518 -7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 123 16.591 6.987 -7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 123 15.115 10.235 -9.617 1.00 0.00 H new ATOM 0 HE1 TYR A 123 18.678 8.210 -6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 123 17.288 11.403 -9.344 1.00 0.00 H new ATOM 0 HH TYR A 123 19.258 11.449 -8.314 1.00 0.00 H new ATOM 965 N CYS A 124 11.950 7.611 -10.547 1.00 0.00 N ATOM 966 CA CYS A 124 10.674 7.634 -11.292 1.00 0.00 C ATOM 967 C CYS A 124 10.486 8.887 -12.175 1.00 0.00 C ATOM 968 O CYS A 124 10.947 8.971 -13.313 1.00 0.00 O ATOM 969 CB CYS A 124 9.411 7.270 -10.501 1.00 0.00 C ATOM 970 SG CYS A 124 9.455 5.533 -10.040 1.00 0.00 S ATOM 971 OXT CYS A 124 9.726 9.868 -11.588 1.00 0.00 O ATOM 0 H CYS A 124 12.313 8.545 -10.355 1.00 0.00 H new ATOM 0 HA CYS A 124 10.797 6.789 -11.970 1.00 0.00 H new ATOM 0 HB2 CYS A 124 9.340 7.890 -9.608 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.524 7.473 -11.102 1.00 0.00 H new TER 972 CYS A 124 HETATM 973 CA CA A 125 2.001 4.714 -1.832 1.00 0.00 CA