USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -173:sc= -0.0677 (180deg=-0.133) USER MOD Set 1.2: A 119 MET CE :methyl -168:sc= 0 (180deg=-0.135) USER MOD Set 1.3: A 126 CYS SG : rot 170:sc= -0.388 USER MOD Set 1.4: A 128 GLN : amide:sc= 0 K(o=-0.46,f=-1) USER MOD Set 2.1: A 94 GLN : amide:sc= 0.372 K(o=0.37,f=-2.2!) USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 136:sc= 0.0147 (180deg=0) USER MOD Set 3.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 ASN : amide:sc= 0.551 K(o=0.53,f=-1.6!) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.019 X(o=0.53,f=0.53) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.286 K(o=0.29,f=-2.9!) USER MOD Single : A 15 ASN : amide:sc= 0.599 K(o=0.6,f=-1.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.755 K(o=0.75,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.408 (180deg=0.408) USER MOD Single : A 34 ASN : amide:sc= -0.192 K(o=-0.19,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 0.0535 (180deg=0.036) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 49 MET CE :methyl -129:sc= -0.0327 (180deg=-2) USER MOD Single : A 55 SER OG : rot -81:sc= 1.4 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.404 K(o=0.4,f=-3.8!) USER MOD Single : A 60 TYR OH : rot -18:sc= 1.21 USER MOD Single : A 62 MET CE :methyl 145:sc= -0.0134 (180deg=-0.173) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -148:sc= 0 (180deg=-0.537) USER MOD Single : A 84 THR OG1 : rot 161:sc= 1.18 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 170:sc= -0.261 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= 0.721 (180deg=0.423) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -171:sc= 0.0117 (180deg=0.00591) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 5.694 -2.423 0.773 1.00 0.00 N ATOM 20 CA PRO A 1 6.681 -3.196 -0.020 1.00 0.00 C ATOM 21 C PRO A 1 6.686 -2.887 -1.549 1.00 0.00 C ATOM 22 O PRO A 1 5.647 -2.898 -2.215 1.00 0.00 O ATOM 23 CB PRO A 1 6.360 -4.663 0.312 1.00 0.00 C ATOM 24 CG PRO A 1 5.088 -4.696 1.162 1.00 0.00 C ATOM 25 CD PRO A 1 4.630 -3.253 1.362 1.00 0.00 C ATOM 0 H2 PRO A 1 5.269 -1.714 0.175 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.182 -1.929 1.520 1.00 0.00 H new ATOM 0 HA PRO A 1 7.701 -2.921 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.220 -5.238 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.189 -5.120 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.312 -5.279 0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.281 -5.173 2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.673 -3.072 0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.494 -3.026 2.419 1.00 0.00 H new ATOM 33 N VAL A 2 7.885 -2.602 -2.078 1.00 0.00 N ATOM 34 CA VAL A 2 8.066 -2.102 -3.473 1.00 0.00 C ATOM 35 C VAL A 2 8.435 -3.346 -4.356 1.00 0.00 C ATOM 36 O VAL A 2 7.548 -4.124 -4.716 1.00 0.00 O ATOM 37 CB VAL A 2 9.045 -0.862 -3.471 1.00 0.00 C ATOM 38 CG1 VAL A 2 9.148 -0.201 -4.865 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.694 0.259 -2.458 1.00 0.00 C ATOM 0 H VAL A 2 8.760 -2.707 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 2 7.169 -1.683 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 2 9.993 -1.306 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.831 0.647 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 2 9.522 -0.928 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.163 0.145 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.426 1.063 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.701 0.650 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.708 -0.147 -1.447 1.00 0.00 H new ATOM 49 N ASP A 3 9.726 -3.587 -4.653 1.00 0.00 N ATOM 50 CA ASP A 3 10.225 -4.918 -5.092 1.00 0.00 C ATOM 51 C ASP A 3 11.721 -5.038 -4.666 1.00 0.00 C ATOM 52 O ASP A 3 12.629 -4.910 -5.495 1.00 0.00 O ATOM 53 CB ASP A 3 9.992 -5.116 -6.615 1.00 0.00 C ATOM 54 CG ASP A 3 10.307 -6.515 -7.149 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.447 -7.298 -7.540 1.00 0.00 O ATOM 56 OD2 ASP A 3 11.648 -6.783 -7.138 1.00 0.00 O ATOM 0 H ASP A 3 10.454 -2.874 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 3 9.672 -5.724 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.951 -4.886 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.602 -4.393 -7.156 1.00 0.00 H new ATOM 62 N PHE A 4 11.973 -5.341 -3.384 1.00 0.00 N ATOM 63 CA PHE A 4 13.362 -5.499 -2.850 1.00 0.00 C ATOM 64 C PHE A 4 14.121 -6.818 -3.247 1.00 0.00 C ATOM 65 O PHE A 4 15.335 -6.896 -3.057 1.00 0.00 O ATOM 66 CB PHE A 4 13.349 -5.257 -1.311 1.00 0.00 C ATOM 67 CG PHE A 4 12.905 -3.872 -0.778 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.550 -3.516 -0.736 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.859 -2.962 -0.308 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.165 -2.260 -0.274 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.468 -1.712 0.170 1.00 0.00 C ATOM 72 CZ PHE A 4 12.122 -1.364 0.188 1.00 0.00 C ATOM 0 H PHE A 4 11.243 -5.484 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 4 13.961 -4.737 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.697 -6.007 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.356 -5.447 -0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.800 -4.220 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.905 -3.230 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.121 -1.982 -0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.211 -1.014 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.820 -0.397 0.561 1.00 0.00 H new ATOM 82 N ASN A 5 13.438 -7.820 -3.829 1.00 0.00 N ATOM 83 CA ASN A 5 14.000 -9.130 -4.239 1.00 0.00 C ATOM 84 C ASN A 5 15.121 -9.030 -5.324 1.00 0.00 C ATOM 85 O ASN A 5 14.838 -8.733 -6.490 1.00 0.00 O ATOM 86 CB ASN A 5 12.813 -9.975 -4.799 1.00 0.00 C ATOM 87 CG ASN A 5 11.593 -10.163 -3.889 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.841 -9.232 -3.617 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.394 -11.334 -3.359 1.00 0.00 N ATOM 0 H ASN A 5 12.442 -7.742 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 5 14.473 -9.585 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.475 -9.510 -5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.195 -10.962 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.614 -11.478 -2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.018 -12.109 -3.584 1.00 0.00 H new ATOM 96 N GLY A 6 16.384 -9.286 -4.948 1.00 0.00 N ATOM 97 CA GLY A 6 17.508 -9.193 -5.911 1.00 0.00 C ATOM 98 C GLY A 6 18.921 -9.111 -5.309 1.00 0.00 C ATOM 99 O GLY A 6 19.130 -9.113 -4.092 1.00 0.00 O ATOM 0 H GLY A 6 16.656 -9.555 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.467 -10.061 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.351 -8.313 -6.535 1.00 0.00 H new ATOM 103 N TYR A 7 19.898 -9.013 -6.221 1.00 0.00 N ATOM 104 CA TYR A 7 21.318 -8.748 -5.867 1.00 0.00 C ATOM 105 C TYR A 7 21.682 -7.279 -6.262 1.00 0.00 C ATOM 106 O TYR A 7 21.448 -6.842 -7.395 1.00 0.00 O ATOM 107 CB TYR A 7 22.215 -9.811 -6.564 1.00 0.00 C ATOM 108 CG TYR A 7 23.580 -10.042 -5.893 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.677 -9.232 -6.206 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.743 -11.086 -4.977 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.914 -9.465 -5.612 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.977 -11.306 -4.368 1.00 0.00 C ATOM 113 CZ TYR A 7 26.060 -10.491 -4.684 1.00 0.00 C ATOM 114 OH TYR A 7 27.274 -10.692 -4.085 1.00 0.00 O ATOM 0 H TYR A 7 19.738 -9.113 -7.223 1.00 0.00 H new ATOM 0 HA TYR A 7 21.484 -8.837 -4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.676 -10.758 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.381 -9.505 -7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.563 -8.422 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.906 -11.726 -4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.762 -8.848 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.093 -12.107 -3.653 1.00 0.00 H new ATOM 0 HH TYR A 7 27.211 -11.446 -3.462 1.00 0.00 H new ATOM 124 N TRP A 8 22.244 -6.529 -5.306 1.00 0.00 N ATOM 125 CA TRP A 8 22.448 -5.057 -5.415 1.00 0.00 C ATOM 126 C TRP A 8 23.972 -4.709 -5.249 1.00 0.00 C ATOM 127 O TRP A 8 24.687 -5.324 -4.444 1.00 0.00 O ATOM 128 CB TRP A 8 21.577 -4.353 -4.325 1.00 0.00 C ATOM 129 CG TRP A 8 20.048 -4.586 -4.349 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.370 -5.695 -3.785 1.00 0.00 C ATOM 131 CD2 TRP A 8 19.048 -3.794 -4.889 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.981 -5.632 -3.992 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.803 -4.444 -4.671 1.00 0.00 C ATOM 134 CE3 TRP A 8 19.094 -2.545 -5.554 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.603 -3.856 -5.132 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.895 -1.984 -5.999 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.670 -2.628 -5.792 1.00 0.00 C ATOM 0 H TRP A 8 22.577 -6.918 -4.424 1.00 0.00 H new ATOM 0 HA TRP A 8 22.139 -4.702 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.947 -4.668 -3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.752 -3.280 -4.401 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.864 -6.497 -3.257 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.271 -6.307 -3.707 1.00 0.00 H new ATOM 0 HE3 TRP A 8 20.034 -2.038 -5.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.654 -4.347 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.914 -1.034 -6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.761 -2.167 -6.149 1.00 0.00 H new ATOM 148 N LYS A 9 24.471 -3.704 -5.994 1.00 0.00 N ATOM 149 CA LYS A 9 25.864 -3.167 -5.850 1.00 0.00 C ATOM 150 C LYS A 9 25.883 -1.716 -5.277 1.00 0.00 C ATOM 151 O LYS A 9 25.061 -0.890 -5.683 1.00 0.00 O ATOM 152 CB LYS A 9 26.618 -3.259 -7.211 1.00 0.00 C ATOM 153 CG LYS A 9 26.146 -2.323 -8.357 1.00 0.00 C ATOM 154 CD LYS A 9 27.031 -2.408 -9.617 1.00 0.00 C ATOM 155 CE LYS A 9 26.459 -1.666 -10.841 1.00 0.00 C ATOM 156 NZ LYS A 9 26.540 -0.198 -10.695 1.00 0.00 N ATOM 0 H LYS A 9 23.929 -3.232 -6.718 1.00 0.00 H new ATOM 0 HA LYS A 9 26.387 -3.787 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.673 -3.058 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.547 -4.287 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.120 -2.576 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.137 -1.294 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.014 -1.999 -9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.175 -3.457 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.003 -1.971 -11.735 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.419 -1.958 -10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.144 0.257 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.999 0.098 -9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.534 0.085 -10.583 1.00 0.00 H new ATOM 169 N MET A 10 26.831 -1.373 -4.380 1.00 0.00 N ATOM 170 CA MET A 10 26.951 0.017 -3.851 1.00 0.00 C ATOM 171 C MET A 10 27.511 1.027 -4.910 1.00 0.00 C ATOM 172 O MET A 10 28.610 0.863 -5.448 1.00 0.00 O ATOM 173 CB MET A 10 27.787 0.009 -2.546 1.00 0.00 C ATOM 174 CG MET A 10 27.829 1.369 -1.811 1.00 0.00 C ATOM 175 SD MET A 10 28.910 1.295 -0.378 1.00 0.00 S ATOM 176 CE MET A 10 27.791 0.571 0.825 1.00 0.00 C ATOM 0 H MET A 10 27.520 -2.025 -4.006 1.00 0.00 H new ATOM 0 HA MET A 10 25.948 0.376 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.379 -0.743 -1.871 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.807 -0.295 -2.783 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.177 2.144 -2.494 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.823 1.648 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.264 0.570 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.872 1.156 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.557 -0.453 0.534 1.00 0.00 H new ATOM 186 N LEU A 11 26.752 2.109 -5.137 1.00 0.00 N ATOM 187 CA LEU A 11 27.238 3.308 -5.874 1.00 0.00 C ATOM 188 C LEU A 11 28.055 4.303 -4.981 1.00 0.00 C ATOM 189 O LEU A 11 29.113 4.769 -5.408 1.00 0.00 O ATOM 190 CB LEU A 11 26.025 4.037 -6.525 1.00 0.00 C ATOM 191 CG LEU A 11 25.203 3.298 -7.614 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.075 4.220 -8.107 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.045 2.848 -8.819 1.00 0.00 C ATOM 0 H LEU A 11 25.786 2.188 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 11 27.929 2.956 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.338 4.314 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.394 4.964 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 11 24.806 2.395 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.494 3.706 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.425 4.479 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.506 5.129 -8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.405 2.339 -9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.501 3.719 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 11 26.827 2.167 -8.483 1.00 0.00 H new ATOM 205 N SER A 12 27.550 4.662 -3.782 1.00 0.00 N ATOM 206 CA SER A 12 28.256 5.565 -2.829 1.00 0.00 C ATOM 207 C SER A 12 27.925 5.228 -1.339 1.00 0.00 C ATOM 208 O SER A 12 26.804 4.823 -1.007 1.00 0.00 O ATOM 209 CB SER A 12 27.911 7.042 -3.158 1.00 0.00 C ATOM 210 OG SER A 12 26.512 7.308 -3.061 1.00 0.00 O ATOM 0 H SER A 12 26.644 4.339 -3.442 1.00 0.00 H new ATOM 0 HA SER A 12 29.328 5.411 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.451 7.699 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.254 7.277 -4.166 1.00 0.00 H new ATOM 0 HG SER A 12 26.342 8.249 -3.275 1.00 0.00 H new ATOM 216 N ASN A 13 28.900 5.450 -0.436 1.00 0.00 N ATOM 217 CA ASN A 13 28.652 5.509 1.034 1.00 0.00 C ATOM 218 C ASN A 13 29.089 6.909 1.583 1.00 0.00 C ATOM 219 O ASN A 13 30.280 7.213 1.682 1.00 0.00 O ATOM 220 CB ASN A 13 29.259 4.274 1.759 1.00 0.00 C ATOM 221 CG ASN A 13 30.783 4.150 1.886 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.380 4.636 2.836 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.452 3.478 0.984 1.00 0.00 N ATOM 0 H ASN A 13 29.877 5.593 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 13 27.586 5.432 1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 13 28.844 4.249 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.900 3.383 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.461 3.364 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 13 30.964 3.068 0.187 1.00 0.00 H new ATOM 230 N GLU A 14 28.116 7.777 1.904 1.00 0.00 N ATOM 231 CA GLU A 14 28.376 9.161 2.381 1.00 0.00 C ATOM 232 C GLU A 14 28.209 9.229 3.928 1.00 0.00 C ATOM 233 O GLU A 14 27.168 8.847 4.472 1.00 0.00 O ATOM 234 CB GLU A 14 27.406 10.101 1.611 1.00 0.00 C ATOM 235 CG GLU A 14 27.510 11.617 1.919 1.00 0.00 C ATOM 236 CD GLU A 14 28.820 12.285 1.501 1.00 0.00 C ATOM 237 OE1 GLU A 14 28.997 12.826 0.415 1.00 0.00 O ATOM 238 OE2 GLU A 14 29.771 12.220 2.476 1.00 0.00 O ATOM 0 H GLU A 14 27.124 7.547 1.843 1.00 0.00 H new ATOM 0 HA GLU A 14 29.399 9.480 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.572 9.959 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.385 9.781 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 14 26.686 12.129 1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.374 11.762 2.991 1.00 0.00 H new ATOM 246 N ASN A 15 29.243 9.717 4.639 1.00 0.00 N ATOM 247 CA ASN A 15 29.259 9.799 6.138 1.00 0.00 C ATOM 248 C ASN A 15 29.230 8.438 6.945 1.00 0.00 C ATOM 249 O ASN A 15 28.972 8.428 8.153 1.00 0.00 O ATOM 250 CB ASN A 15 28.229 10.883 6.591 1.00 0.00 C ATOM 251 CG ASN A 15 28.537 11.582 7.913 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.637 12.074 8.138 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.585 11.694 8.805 1.00 0.00 N ATOM 0 H ASN A 15 30.096 10.069 4.205 1.00 0.00 H new ATOM 0 HA ASN A 15 30.260 10.120 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.159 11.640 5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.248 10.414 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.761 12.188 9.680 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.667 11.287 8.625 1.00 0.00 H new ATOM 260 N PHE A 16 29.578 7.299 6.307 1.00 0.00 N ATOM 261 CA PHE A 16 29.659 5.963 6.967 1.00 0.00 C ATOM 262 C PHE A 16 30.767 5.819 8.066 1.00 0.00 C ATOM 263 O PHE A 16 30.459 5.377 9.174 1.00 0.00 O ATOM 264 CB PHE A 16 29.722 4.899 5.832 1.00 0.00 C ATOM 265 CG PHE A 16 29.613 3.406 6.213 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.694 2.948 7.166 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.414 2.475 5.543 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.616 1.592 7.478 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.319 1.117 5.839 1.00 0.00 C ATOM 270 CZ PHE A 16 29.428 0.678 6.813 1.00 0.00 C ATOM 0 H PHE A 16 29.813 7.273 5.315 1.00 0.00 H new ATOM 0 HA PHE A 16 28.766 5.808 7.573 1.00 0.00 H new ATOM 0 HB2 PHE A 16 28.922 5.120 5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.663 5.037 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.041 3.651 7.662 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.112 2.812 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.926 1.251 8.235 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.937 0.405 5.312 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.366 -0.373 7.053 1.00 0.00 H new ATOM 280 N GLU A 17 32.017 6.240 7.801 1.00 0.00 N ATOM 281 CA GLU A 17 33.107 6.306 8.826 1.00 0.00 C ATOM 282 C GLU A 17 32.832 7.169 10.116 1.00 0.00 C ATOM 283 O GLU A 17 33.244 6.774 11.213 1.00 0.00 O ATOM 284 CB GLU A 17 34.382 6.736 8.047 1.00 0.00 C ATOM 285 CG GLU A 17 35.727 6.403 8.722 1.00 0.00 C ATOM 286 CD GLU A 17 36.937 6.558 7.802 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.645 7.561 7.775 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.136 5.455 7.019 1.00 0.00 O ATOM 0 H GLU A 17 32.313 6.547 6.874 1.00 0.00 H new ATOM 0 HA GLU A 17 33.210 5.324 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.362 6.261 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.337 7.812 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.857 7.050 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.693 5.378 9.092 1.00 0.00 H new ATOM 296 N GLU A 18 32.102 8.298 9.994 1.00 0.00 N ATOM 297 CA GLU A 18 31.526 9.039 11.155 1.00 0.00 C ATOM 298 C GLU A 18 30.370 8.286 11.910 1.00 0.00 C ATOM 299 O GLU A 18 30.408 8.206 13.139 1.00 0.00 O ATOM 300 CB GLU A 18 31.089 10.436 10.636 1.00 0.00 C ATOM 301 CG GLU A 18 30.812 11.483 11.743 1.00 0.00 C ATOM 302 CD GLU A 18 30.240 12.795 11.213 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.043 13.066 11.200 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.208 13.628 10.738 1.00 0.00 O ATOM 0 H GLU A 18 31.891 8.727 9.093 1.00 0.00 H new ATOM 0 HA GLU A 18 32.293 9.131 11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.866 10.822 9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.189 10.319 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.116 11.059 12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.740 11.690 12.276 1.00 0.00 H new ATOM 312 N TYR A 19 29.370 7.715 11.203 1.00 0.00 N ATOM 313 CA TYR A 19 28.376 6.756 11.790 1.00 0.00 C ATOM 314 C TYR A 19 28.993 5.539 12.566 1.00 0.00 C ATOM 315 O TYR A 19 28.565 5.240 13.682 1.00 0.00 O ATOM 316 CB TYR A 19 27.412 6.359 10.630 1.00 0.00 C ATOM 317 CG TYR A 19 26.482 5.151 10.856 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.265 5.283 11.531 1.00 0.00 C ATOM 319 CD2 TYR A 19 26.898 3.884 10.432 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.480 4.157 11.777 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.107 2.764 10.672 1.00 0.00 C ATOM 322 CZ TYR A 19 24.896 2.904 11.341 1.00 0.00 C ATOM 323 OH TYR A 19 24.108 1.808 11.570 1.00 0.00 O ATOM 0 H TYR A 19 29.219 7.898 10.211 1.00 0.00 H new ATOM 0 HA TYR A 19 27.827 7.247 12.594 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.789 7.224 10.400 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.016 6.157 9.746 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.933 6.256 11.862 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.840 3.774 9.915 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.545 4.259 12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.433 1.789 10.340 1.00 0.00 H new ATOM 0 HH TYR A 19 24.542 1.010 11.201 1.00 0.00 H new ATOM 333 N LEU A 20 29.996 4.860 11.989 1.00 0.00 N ATOM 334 CA LEU A 20 30.790 3.825 12.701 1.00 0.00 C ATOM 335 C LEU A 20 31.594 4.344 13.950 1.00 0.00 C ATOM 336 O LEU A 20 31.583 3.673 14.986 1.00 0.00 O ATOM 337 CB LEU A 20 31.697 3.118 11.659 1.00 0.00 C ATOM 338 CG LEU A 20 31.035 2.323 10.496 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.103 1.871 9.485 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.233 1.098 10.967 1.00 0.00 C ATOM 0 H LEU A 20 30.285 5.005 11.022 1.00 0.00 H new ATOM 0 HA LEU A 20 30.092 3.115 13.145 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.340 3.877 11.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.345 2.429 12.201 1.00 0.00 H new ATOM 0 HG LEU A 20 30.328 3.008 10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.627 1.316 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.610 2.745 9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.830 1.231 9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.800 0.593 10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.894 0.411 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.435 1.421 11.636 1.00 0.00 H new ATOM 352 N ARG A 21 32.215 5.546 13.908 1.00 0.00 N ATOM 353 CA ARG A 21 32.698 6.251 15.139 1.00 0.00 C ATOM 354 C ARG A 21 31.600 6.528 16.226 1.00 0.00 C ATOM 355 O ARG A 21 31.800 6.178 17.392 1.00 0.00 O ATOM 356 CB ARG A 21 33.423 7.556 14.703 1.00 0.00 C ATOM 357 CG ARG A 21 34.157 8.330 15.827 1.00 0.00 C ATOM 358 CD ARG A 21 35.072 9.478 15.344 1.00 0.00 C ATOM 359 NE ARG A 21 34.362 10.591 14.650 1.00 0.00 N ATOM 360 CZ ARG A 21 33.731 11.600 15.249 1.00 0.00 C ATOM 361 NH1 ARG A 21 33.530 11.690 16.546 1.00 0.00 N ATOM 362 NH2 ARG A 21 33.281 12.566 14.497 1.00 0.00 N ATOM 0 H ARG A 21 32.397 6.054 13.042 1.00 0.00 H new ATOM 0 HA ARG A 21 33.387 5.575 15.646 1.00 0.00 H new ATOM 0 HB2 ARG A 21 34.148 7.305 13.928 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.689 8.222 14.249 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.413 8.742 16.509 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.758 7.624 16.400 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.605 9.885 16.203 1.00 0.00 H new ATOM 0 HD3 ARG A 21 35.822 9.067 14.669 1.00 0.00 H new ATOM 0 HE ARG A 21 34.359 10.579 13.630 1.00 0.00 H new ATOM 0 HH11 ARG A 21 33.867 10.954 17.167 1.00 0.00 H new ATOM 0 HH12 ARG A 21 33.037 12.496 16.931 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.417 12.532 13.487 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.793 13.356 14.919 1.00 0.00 H new ATOM 376 N ALA A 22 30.434 7.080 15.841 1.00 0.00 N ATOM 377 CA ALA A 22 29.227 7.142 16.710 1.00 0.00 C ATOM 378 C ALA A 22 28.665 5.799 17.296 1.00 0.00 C ATOM 379 O ALA A 22 27.941 5.845 18.297 1.00 0.00 O ATOM 380 CB ALA A 22 28.154 7.866 15.875 1.00 0.00 C ATOM 0 H ALA A 22 30.295 7.497 14.921 1.00 0.00 H new ATOM 0 HA ALA A 22 29.523 7.660 17.622 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.235 7.947 16.455 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.508 8.863 15.614 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.959 7.300 14.964 1.00 0.00 H new ATOM 386 N LEU A 23 29.014 4.631 16.716 1.00 0.00 N ATOM 387 CA LEU A 23 28.772 3.299 17.337 1.00 0.00 C ATOM 388 C LEU A 23 29.968 2.689 18.149 1.00 0.00 C ATOM 389 O LEU A 23 29.836 1.566 18.644 1.00 0.00 O ATOM 390 CB LEU A 23 28.331 2.337 16.199 1.00 0.00 C ATOM 391 CG LEU A 23 26.936 2.609 15.576 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.740 1.784 14.297 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.803 2.289 16.562 1.00 0.00 C ATOM 0 H LEU A 23 29.471 4.578 15.806 1.00 0.00 H new ATOM 0 HA LEU A 23 28.002 3.435 18.096 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.076 2.382 15.404 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.340 1.319 16.588 1.00 0.00 H new ATOM 0 HG LEU A 23 26.897 3.671 15.334 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.755 1.991 13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.507 2.051 13.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.818 0.723 14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.842 2.492 16.090 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.853 1.238 16.845 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.909 2.910 17.452 1.00 0.00 H new ATOM 405 N ASP A 24 31.106 3.394 18.319 1.00 0.00 N ATOM 406 CA ASP A 24 32.373 2.826 18.886 1.00 0.00 C ATOM 407 C ASP A 24 32.972 1.600 18.106 1.00 0.00 C ATOM 408 O ASP A 24 33.407 0.605 18.695 1.00 0.00 O ATOM 409 CB ASP A 24 32.256 2.604 20.422 1.00 0.00 C ATOM 410 CG ASP A 24 32.227 3.884 21.258 1.00 0.00 C ATOM 411 OD1 ASP A 24 33.199 4.626 21.370 1.00 0.00 O ATOM 412 OD2 ASP A 24 31.022 4.096 21.864 1.00 0.00 O ATOM 0 H ASP A 24 31.185 4.380 18.069 1.00 0.00 H new ATOM 0 HA ASP A 24 33.132 3.592 18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.348 2.035 20.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 33.096 1.992 20.751 1.00 0.00 H new ATOM 418 N VAL A 25 33.040 1.705 16.769 1.00 0.00 N ATOM 419 CA VAL A 25 33.617 0.638 15.893 1.00 0.00 C ATOM 420 C VAL A 25 35.152 0.900 15.701 1.00 0.00 C ATOM 421 O VAL A 25 35.605 2.044 15.584 1.00 0.00 O ATOM 422 CB VAL A 25 32.789 0.584 14.564 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.354 -0.365 13.483 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.300 0.197 14.772 1.00 0.00 C ATOM 0 H VAL A 25 32.703 2.519 16.255 1.00 0.00 H new ATOM 0 HA VAL A 25 33.542 -0.352 16.344 1.00 0.00 H new ATOM 0 HB VAL A 25 32.870 1.613 14.213 1.00 0.00 H new ATOM 0 HG11 VAL A 25 32.714 -0.334 12.601 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.361 -0.049 13.211 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.386 -1.382 13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 25 30.790 0.180 13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.241 -0.790 15.231 1.00 0.00 H new ATOM 0 HG23 VAL A 25 30.821 0.929 15.423 1.00 0.00 H new ATOM 434 N ASN A 26 35.958 -0.178 15.654 1.00 0.00 N ATOM 435 CA ASN A 26 37.444 -0.077 15.560 1.00 0.00 C ATOM 436 C ASN A 26 37.993 0.664 14.291 1.00 0.00 C ATOM 437 O ASN A 26 37.433 0.554 13.196 1.00 0.00 O ATOM 438 CB ASN A 26 38.055 -1.495 15.762 1.00 0.00 C ATOM 439 CG ASN A 26 37.902 -2.502 14.610 1.00 0.00 C ATOM 440 OD1 ASN A 26 38.594 -2.434 13.601 1.00 0.00 O ATOM 441 ND2 ASN A 26 37.018 -3.464 14.714 1.00 0.00 N ATOM 0 H ASN A 26 35.612 -1.137 15.679 1.00 0.00 H new ATOM 0 HA ASN A 26 37.774 0.582 16.363 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.119 -1.377 15.967 1.00 0.00 H new ATOM 0 HB3 ASN A 26 37.605 -1.932 16.653 1.00 0.00 H new ATOM 0 HD21 ASN A 26 36.913 -4.144 13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 26 36.435 -3.533 15.548 1.00 0.00 H new ATOM 448 N VAL A 27 39.115 1.393 14.445 1.00 0.00 N ATOM 449 CA VAL A 27 39.719 2.215 13.342 1.00 0.00 C ATOM 450 C VAL A 27 40.151 1.403 12.061 1.00 0.00 C ATOM 451 O VAL A 27 39.953 1.897 10.947 1.00 0.00 O ATOM 452 CB VAL A 27 40.798 3.199 13.922 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.512 4.056 12.848 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.206 4.199 14.952 1.00 0.00 C ATOM 0 H VAL A 27 39.635 1.439 15.322 1.00 0.00 H new ATOM 0 HA VAL A 27 38.924 2.835 12.928 1.00 0.00 H new ATOM 0 HB VAL A 27 41.514 2.525 14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.241 4.708 13.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.021 3.402 12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.777 4.662 12.318 1.00 0.00 H new ATOM 0 HG21 VAL A 27 40.996 4.854 15.319 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.431 4.798 14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 27 39.774 3.648 15.787 1.00 0.00 H new ATOM 464 N ALA A 28 40.661 0.161 12.197 1.00 0.00 N ATOM 465 CA ALA A 28 40.835 -0.773 11.051 1.00 0.00 C ATOM 466 C ALA A 28 39.544 -1.085 10.221 1.00 0.00 C ATOM 467 O ALA A 28 39.545 -0.831 9.015 1.00 0.00 O ATOM 468 CB ALA A 28 41.523 -2.039 11.599 1.00 0.00 C ATOM 0 H ALA A 28 40.963 -0.225 13.092 1.00 0.00 H new ATOM 0 HA ALA A 28 41.456 -0.280 10.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.670 -2.753 10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.489 -1.772 12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.897 -2.489 12.370 1.00 0.00 H new ATOM 474 N LEU A 29 38.438 -1.559 10.834 1.00 0.00 N ATOM 475 CA LEU A 29 37.126 -1.710 10.132 1.00 0.00 C ATOM 476 C LEU A 29 36.454 -0.376 9.661 1.00 0.00 C ATOM 477 O LEU A 29 35.931 -0.344 8.547 1.00 0.00 O ATOM 478 CB LEU A 29 36.188 -2.592 11.007 1.00 0.00 C ATOM 479 CG LEU A 29 34.971 -3.229 10.271 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.589 -4.574 10.911 1.00 0.00 C ATOM 481 CD2 LEU A 29 33.721 -2.333 10.248 1.00 0.00 C ATOM 0 H LEU A 29 38.418 -1.846 11.813 1.00 0.00 H new ATOM 0 HA LEU A 29 37.326 -2.211 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.781 -3.393 11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.813 -1.984 11.830 1.00 0.00 H new ATOM 0 HG LEU A 29 35.301 -3.366 9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.737 -5.000 10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 29 35.434 -5.259 10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.324 -4.417 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 29 32.917 -2.844 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 29 33.406 -2.121 11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 29 33.953 -1.398 9.739 1.00 0.00 H new ATOM 493 N ARG A 30 36.492 0.726 10.439 1.00 0.00 N ATOM 494 CA ARG A 30 36.163 2.098 9.932 1.00 0.00 C ATOM 495 C ARG A 30 36.814 2.536 8.572 1.00 0.00 C ATOM 496 O ARG A 30 36.137 3.147 7.735 1.00 0.00 O ATOM 497 CB ARG A 30 36.519 3.124 11.039 1.00 0.00 C ATOM 498 CG ARG A 30 35.544 3.209 12.237 1.00 0.00 C ATOM 499 CD ARG A 30 35.910 4.294 13.268 1.00 0.00 C ATOM 500 NE ARG A 30 35.768 5.666 12.705 1.00 0.00 N ATOM 501 CZ ARG A 30 36.753 6.540 12.506 1.00 0.00 C ATOM 502 NH1 ARG A 30 38.029 6.275 12.665 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.427 7.741 12.116 1.00 0.00 N ATOM 0 H ARG A 30 36.747 0.704 11.426 1.00 0.00 H new ATOM 0 HA ARG A 30 35.098 2.067 9.703 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.511 2.883 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.585 4.111 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.539 3.404 11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.515 2.241 12.738 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.269 4.193 14.144 1.00 0.00 H new ATOM 0 HD3 ARG A 30 36.936 4.144 13.604 1.00 0.00 H new ATOM 0 HE ARG A 30 34.827 5.964 12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 30 38.324 5.344 12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.726 7.000 12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.446 7.982 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 30 37.153 8.439 11.953 1.00 0.00 H new ATOM 517 N LYS A 31 38.103 2.223 8.349 1.00 0.00 N ATOM 518 CA LYS A 31 38.732 2.281 7.001 1.00 0.00 C ATOM 519 C LYS A 31 38.302 1.098 6.068 1.00 0.00 C ATOM 520 O LYS A 31 37.791 1.360 4.975 1.00 0.00 O ATOM 521 CB LYS A 31 40.277 2.408 7.157 1.00 0.00 C ATOM 522 CG LYS A 31 40.835 3.844 7.315 1.00 0.00 C ATOM 523 CD LYS A 31 40.300 4.618 8.539 1.00 0.00 C ATOM 524 CE LYS A 31 41.014 5.946 8.841 1.00 0.00 C ATOM 525 NZ LYS A 31 40.682 6.987 7.844 1.00 0.00 N ATOM 0 H LYS A 31 38.741 1.924 9.087 1.00 0.00 H new ATOM 0 HA LYS A 31 38.364 3.170 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.582 1.825 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.747 1.952 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 41.922 3.790 7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 31 40.600 4.411 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 31 39.240 4.821 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 31 40.377 3.976 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.732 6.292 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 42.092 5.785 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 41.182 7.867 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 40.974 6.667 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.656 7.159 7.850 1.00 0.00 H new ATOM 538 N ILE A 32 38.460 -0.184 6.471 1.00 0.00 N ATOM 539 CA ILE A 32 38.140 -1.373 5.608 1.00 0.00 C ATOM 540 C ILE A 32 36.589 -1.698 5.614 1.00 0.00 C ATOM 541 O ILE A 32 36.127 -2.776 6.001 1.00 0.00 O ATOM 542 CB ILE A 32 39.052 -2.605 5.983 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.573 -2.330 6.232 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.958 -3.717 4.904 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.214 -3.323 7.218 1.00 0.00 C ATOM 0 H ILE A 32 38.810 -0.435 7.396 1.00 0.00 H new ATOM 0 HA ILE A 32 38.378 -1.126 4.574 1.00 0.00 H new ATOM 0 HB ILE A 32 38.638 -2.904 6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.105 -2.377 5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.695 -1.317 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.596 -4.554 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.926 -4.059 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.286 -3.320 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.268 -3.078 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.706 -3.259 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.122 -4.336 6.826 1.00 0.00 H new ATOM 557 N ALA A 33 35.806 -0.715 5.150 1.00 0.00 N ATOM 558 CA ALA A 33 34.318 -0.716 5.109 1.00 0.00 C ATOM 559 C ALA A 33 33.799 0.574 4.403 1.00 0.00 C ATOM 560 O ALA A 33 33.031 0.478 3.444 1.00 0.00 O ATOM 561 CB ALA A 33 33.636 -0.924 6.482 1.00 0.00 C ATOM 0 H ALA A 33 36.200 0.147 4.773 1.00 0.00 H new ATOM 0 HA ALA A 33 34.033 -1.591 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.553 -0.910 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.941 -1.884 6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.933 -0.124 7.160 1.00 0.00 H new ATOM 567 N ASN A 34 34.253 1.772 4.829 1.00 0.00 N ATOM 568 CA ASN A 34 34.149 3.015 4.013 1.00 0.00 C ATOM 569 C ASN A 34 34.943 3.011 2.661 1.00 0.00 C ATOM 570 O ASN A 34 34.431 3.502 1.651 1.00 0.00 O ATOM 571 CB ASN A 34 34.570 4.192 4.937 1.00 0.00 C ATOM 572 CG ASN A 34 34.051 5.575 4.527 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.010 6.040 4.980 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.789 6.315 3.740 1.00 0.00 N ATOM 0 H ASN A 34 34.698 1.911 5.736 1.00 0.00 H new ATOM 0 HA ASN A 34 33.118 3.112 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.223 3.979 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.659 4.229 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.496 7.265 3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.657 5.942 3.356 1.00 0.00 H new ATOM 581 N LEU A 35 36.178 2.476 2.648 1.00 0.00 N ATOM 582 CA LEU A 35 37.019 2.389 1.416 1.00 0.00 C ATOM 583 C LEU A 35 36.604 1.284 0.383 1.00 0.00 C ATOM 584 O LEU A 35 36.844 1.468 -0.813 1.00 0.00 O ATOM 585 CB LEU A 35 38.515 2.230 1.825 1.00 0.00 C ATOM 586 CG LEU A 35 39.172 3.368 2.657 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.572 2.940 3.131 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.281 4.691 1.879 1.00 0.00 C ATOM 0 H LEU A 35 36.628 2.092 3.479 1.00 0.00 H new ATOM 0 HA LEU A 35 36.854 3.324 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.609 1.305 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.098 2.104 0.913 1.00 0.00 H new ATOM 0 HG LEU A 35 38.520 3.543 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.021 3.745 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.489 2.047 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.199 2.724 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.747 5.447 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.888 4.539 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.285 5.025 1.588 1.00 0.00 H new ATOM 600 N LEU A 36 35.997 0.162 0.820 1.00 0.00 N ATOM 601 CA LEU A 36 35.395 -0.845 -0.104 1.00 0.00 C ATOM 602 C LEU A 36 33.884 -0.553 -0.396 1.00 0.00 C ATOM 603 O LEU A 36 33.174 0.045 0.420 1.00 0.00 O ATOM 604 CB LEU A 36 35.745 -2.304 0.314 1.00 0.00 C ATOM 605 CG LEU A 36 35.436 -2.787 1.749 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.934 -2.955 2.023 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.158 -4.113 2.048 1.00 0.00 C ATOM 0 H LEU A 36 35.906 -0.078 1.807 1.00 0.00 H new ATOM 0 HA LEU A 36 35.865 -0.739 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.226 -2.972 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.813 -2.443 0.147 1.00 0.00 H new ATOM 0 HG LEU A 36 35.804 -2.003 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.787 -3.296 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.429 -1.999 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.518 -3.689 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.925 -4.433 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 35.826 -4.875 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.234 -3.971 1.950 1.00 0.00 H new ATOM 619 N LYS A 37 33.390 -0.973 -1.575 1.00 0.00 N ATOM 620 CA LYS A 37 31.969 -0.767 -1.982 1.00 0.00 C ATOM 621 C LYS A 37 31.211 -2.144 -1.942 1.00 0.00 C ATOM 622 O LYS A 37 31.248 -2.858 -2.951 1.00 0.00 O ATOM 623 CB LYS A 37 31.921 -0.055 -3.369 1.00 0.00 C ATOM 624 CG LYS A 37 32.444 1.404 -3.428 1.00 0.00 C ATOM 625 CD LYS A 37 31.568 2.434 -2.678 1.00 0.00 C ATOM 626 CE LYS A 37 32.167 3.850 -2.602 1.00 0.00 C ATOM 627 NZ LYS A 37 32.011 4.578 -3.877 1.00 0.00 N ATOM 0 H LYS A 37 33.950 -1.461 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 37 31.451 -0.109 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.498 -0.651 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.888 -0.059 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.451 1.432 -3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.522 1.706 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.596 2.491 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.393 2.073 -1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.681 4.408 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.225 3.784 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.269 5.576 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.631 4.155 -4.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.022 4.516 -4.193 1.00 0.00 H new ATOM 640 N PRO A 38 30.539 -2.581 -0.829 1.00 0.00 N ATOM 641 CA PRO A 38 29.955 -3.949 -0.735 1.00 0.00 C ATOM 642 C PRO A 38 28.614 -4.184 -1.502 1.00 0.00 C ATOM 643 O PRO A 38 28.020 -3.283 -2.106 1.00 0.00 O ATOM 644 CB PRO A 38 29.853 -4.122 0.798 1.00 0.00 C ATOM 645 CG PRO A 38 29.636 -2.720 1.355 1.00 0.00 C ATOM 646 CD PRO A 38 30.524 -1.861 0.461 1.00 0.00 C ATOM 0 HA PRO A 38 30.565 -4.700 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 38 29.027 -4.782 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.761 -4.569 1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.590 -2.419 1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.929 -2.651 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.123 -0.853 0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.528 -1.761 0.874 1.00 0.00 H new ATOM 654 N ASP A 39 28.159 -5.445 -1.474 1.00 0.00 N ATOM 655 CA ASP A 39 26.886 -5.866 -2.121 1.00 0.00 C ATOM 656 C ASP A 39 25.765 -6.180 -1.080 1.00 0.00 C ATOM 657 O ASP A 39 26.020 -6.540 0.073 1.00 0.00 O ATOM 658 CB ASP A 39 27.169 -7.089 -3.036 1.00 0.00 C ATOM 659 CG ASP A 39 27.879 -6.754 -4.345 1.00 0.00 C ATOM 660 OD1 ASP A 39 29.072 -6.959 -4.539 1.00 0.00 O ATOM 661 OD2 ASP A 39 27.025 -6.224 -5.273 1.00 0.00 O ATOM 0 H ASP A 39 28.653 -6.206 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 39 26.511 -5.038 -2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.775 -7.807 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.224 -7.580 -3.266 1.00 0.00 H new ATOM 667 N LYS A 40 24.502 -6.074 -1.522 1.00 0.00 N ATOM 668 CA LYS A 40 23.330 -6.554 -0.743 1.00 0.00 C ATOM 669 C LYS A 40 22.558 -7.620 -1.575 1.00 0.00 C ATOM 670 O LYS A 40 22.044 -7.319 -2.653 1.00 0.00 O ATOM 671 CB LYS A 40 22.429 -5.363 -0.306 1.00 0.00 C ATOM 672 CG LYS A 40 22.820 -4.734 1.050 1.00 0.00 C ATOM 673 CD LYS A 40 21.886 -3.571 1.449 1.00 0.00 C ATOM 674 CE LYS A 40 22.046 -3.081 2.899 1.00 0.00 C ATOM 675 NZ LYS A 40 23.315 -2.359 3.118 1.00 0.00 N ATOM 0 H LYS A 40 24.257 -5.658 -2.420 1.00 0.00 H new ATOM 0 HA LYS A 40 23.669 -7.031 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.468 -4.592 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.396 -5.706 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.793 -5.500 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.846 -4.371 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.065 -2.733 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.853 -3.886 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 40 21.212 -2.426 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 40 21.997 -3.935 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.135 -1.504 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 23.981 -2.975 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 23.724 -2.090 2.201 1.00 0.00 H new ATOM 688 N GLU A 41 22.435 -8.857 -1.066 1.00 0.00 N ATOM 689 CA GLU A 41 21.423 -9.829 -1.574 1.00 0.00 C ATOM 690 C GLU A 41 20.171 -9.768 -0.647 1.00 0.00 C ATOM 691 O GLU A 41 20.230 -10.179 0.517 1.00 0.00 O ATOM 692 CB GLU A 41 22.051 -11.243 -1.663 1.00 0.00 C ATOM 693 CG GLU A 41 21.142 -12.324 -2.305 1.00 0.00 C ATOM 694 CD GLU A 41 21.679 -13.741 -2.109 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.760 -14.130 -2.540 1.00 0.00 O ATOM 696 OE2 GLU A 41 20.837 -14.509 -1.362 1.00 0.00 O ATOM 0 H GLU A 41 23.015 -9.216 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 41 21.101 -9.574 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.975 -11.178 -2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.322 -11.568 -0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.143 -12.256 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.043 -12.122 -3.372 1.00 0.00 H new ATOM 704 N ILE A 42 19.045 -9.249 -1.163 1.00 0.00 N ATOM 705 CA ILE A 42 17.780 -9.140 -0.376 1.00 0.00 C ATOM 706 C ILE A 42 16.776 -10.218 -0.902 1.00 0.00 C ATOM 707 O ILE A 42 16.384 -10.206 -2.074 1.00 0.00 O ATOM 708 CB ILE A 42 17.202 -7.679 -0.354 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.179 -6.635 0.263 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.850 -7.627 0.413 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.823 -5.160 0.006 1.00 0.00 C ATOM 0 H ILE A 42 18.973 -8.896 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 42 17.982 -9.347 0.675 1.00 0.00 H new ATOM 0 HB ILE A 42 17.052 -7.409 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.223 -6.797 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.179 -6.823 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.471 -6.605 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.129 -8.281 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.001 -7.959 1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.567 -4.519 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.810 -4.971 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.840 -4.945 0.425 1.00 0.00 H new ATOM 723 N VAL A 43 16.316 -11.101 0.001 1.00 0.00 N ATOM 724 CA VAL A 43 15.164 -12.018 -0.261 1.00 0.00 C ATOM 725 C VAL A 43 13.931 -11.429 0.507 1.00 0.00 C ATOM 726 O VAL A 43 13.860 -11.544 1.732 1.00 0.00 O ATOM 727 CB VAL A 43 15.526 -13.492 0.143 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.342 -14.479 0.000 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.709 -14.086 -0.662 1.00 0.00 C ATOM 0 H VAL A 43 16.721 -11.209 0.931 1.00 0.00 H new ATOM 0 HA VAL A 43 14.918 -12.076 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 43 15.806 -13.392 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.663 -15.478 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.521 -14.157 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.007 -14.498 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.901 -15.106 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.460 -14.093 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.600 -13.478 -0.502 1.00 0.00 H new ATOM 739 N GLN A 44 12.981 -10.795 -0.209 1.00 0.00 N ATOM 740 CA GLN A 44 11.795 -10.123 0.404 1.00 0.00 C ATOM 741 C GLN A 44 10.473 -10.868 0.037 1.00 0.00 C ATOM 742 O GLN A 44 9.882 -10.642 -1.022 1.00 0.00 O ATOM 743 CB GLN A 44 11.842 -8.634 -0.050 1.00 0.00 C ATOM 744 CG GLN A 44 10.701 -7.693 0.450 1.00 0.00 C ATOM 745 CD GLN A 44 9.448 -7.474 -0.418 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.333 -7.411 0.084 1.00 0.00 O ATOM 747 NE2 GLN A 44 9.559 -7.286 -1.714 1.00 0.00 N ATOM 0 H GLN A 44 13.005 -10.729 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 44 11.822 -10.157 1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.793 -8.213 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.841 -8.614 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.365 -8.075 1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.144 -6.714 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.475 -7.333 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.729 -7.093 -2.274 1.00 0.00 H new ATOM 756 N ASP A 45 9.976 -11.735 0.931 1.00 0.00 N ATOM 757 CA ASP A 45 8.650 -12.391 0.782 1.00 0.00 C ATOM 758 C ASP A 45 7.553 -11.617 1.591 1.00 0.00 C ATOM 759 O ASP A 45 7.042 -12.104 2.606 1.00 0.00 O ATOM 760 CB ASP A 45 8.847 -13.867 1.224 1.00 0.00 C ATOM 761 CG ASP A 45 9.532 -14.767 0.194 1.00 0.00 C ATOM 762 OD1 ASP A 45 8.986 -15.173 -0.826 1.00 0.00 O ATOM 763 OD2 ASP A 45 10.814 -15.069 0.536 1.00 0.00 O ATOM 0 H ASP A 45 10.473 -12.007 1.779 1.00 0.00 H new ATOM 0 HA ASP A 45 8.286 -12.374 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.434 -13.880 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.872 -14.292 1.463 1.00 0.00 H new ATOM 769 N GLY A 46 7.202 -10.394 1.133 1.00 0.00 N ATOM 770 CA GLY A 46 6.193 -9.520 1.797 1.00 0.00 C ATOM 771 C GLY A 46 6.553 -9.018 3.214 1.00 0.00 C ATOM 772 O GLY A 46 7.173 -7.965 3.383 1.00 0.00 O ATOM 0 H GLY A 46 7.607 -9.980 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.019 -8.653 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.252 -10.067 1.856 1.00 0.00 H new ATOM 776 N ASP A 47 6.165 -9.807 4.224 1.00 0.00 N ATOM 777 CA ASP A 47 6.663 -9.642 5.618 1.00 0.00 C ATOM 778 C ASP A 47 8.059 -10.281 5.926 1.00 0.00 C ATOM 779 O ASP A 47 8.818 -9.689 6.689 1.00 0.00 O ATOM 780 CB ASP A 47 5.558 -10.045 6.636 1.00 0.00 C ATOM 781 CG ASP A 47 4.957 -11.461 6.623 1.00 0.00 C ATOM 782 OD1 ASP A 47 3.750 -11.669 6.681 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.902 -12.447 6.566 1.00 0.00 O ATOM 0 H ASP A 47 5.503 -10.575 4.112 1.00 0.00 H new ATOM 0 HA ASP A 47 6.872 -8.579 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.965 -9.878 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.732 -9.345 6.507 1.00 0.00 H new ATOM 789 N HIS A 48 8.402 -11.482 5.417 1.00 0.00 N ATOM 790 CA HIS A 48 9.718 -12.123 5.715 1.00 0.00 C ATOM 791 C HIS A 48 10.865 -11.536 4.832 1.00 0.00 C ATOM 792 O HIS A 48 10.799 -11.594 3.601 1.00 0.00 O ATOM 793 CB HIS A 48 9.566 -13.663 5.594 1.00 0.00 C ATOM 794 CG HIS A 48 10.804 -14.506 5.940 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.150 -15.643 5.225 1.00 0.00 N ATOM 796 CD2 HIS A 48 11.752 -14.258 6.959 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.303 -15.983 5.888 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.745 -15.219 6.935 1.00 0.00 N ATOM 0 H HIS A 48 7.799 -12.030 4.803 1.00 0.00 H new ATOM 0 HA HIS A 48 10.015 -11.896 6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.748 -13.977 6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.270 -13.897 4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 48 11.707 -13.435 7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.863 -16.855 5.583 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.569 -15.328 7.526 1.00 0.00 H new ATOM 806 N MET A 49 11.915 -10.983 5.466 1.00 0.00 N ATOM 807 CA MET A 49 13.043 -10.340 4.751 1.00 0.00 C ATOM 808 C MET A 49 14.414 -10.868 5.264 1.00 0.00 C ATOM 809 O MET A 49 14.710 -10.843 6.465 1.00 0.00 O ATOM 810 CB MET A 49 12.910 -8.806 4.891 1.00 0.00 C ATOM 811 CG MET A 49 13.710 -8.023 3.829 1.00 0.00 C ATOM 812 SD MET A 49 13.541 -6.251 4.095 1.00 0.00 S ATOM 813 CE MET A 49 11.841 -5.961 3.569 1.00 0.00 C ATOM 0 H MET A 49 12.010 -10.967 6.481 1.00 0.00 H new ATOM 0 HA MET A 49 13.003 -10.597 3.692 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.858 -8.532 4.818 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.249 -8.508 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.762 -8.305 3.876 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.354 -8.283 2.832 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.816 -5.138 2.855 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.447 -6.862 3.098 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.230 -5.708 4.436 1.00 0.00 H new ATOM 823 N ILE A 50 15.270 -11.305 4.326 1.00 0.00 N ATOM 824 CA ILE A 50 16.689 -11.651 4.627 1.00 0.00 C ATOM 825 C ILE A 50 17.567 -10.598 3.875 1.00 0.00 C ATOM 826 O ILE A 50 17.747 -10.702 2.657 1.00 0.00 O ATOM 827 CB ILE A 50 17.029 -13.148 4.282 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.097 -14.192 4.976 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.506 -13.482 4.624 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.123 -15.603 4.362 1.00 0.00 C ATOM 0 H ILE A 50 15.013 -11.431 3.347 1.00 0.00 H new ATOM 0 HA ILE A 50 16.895 -11.596 5.696 1.00 0.00 H new ATOM 0 HB ILE A 50 16.861 -13.231 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.378 -14.265 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.073 -13.819 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.711 -14.523 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.168 -12.834 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.678 -13.323 5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.444 -16.253 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.809 -15.552 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.135 -16.005 4.417 1.00 0.00 H new ATOM 842 N ILE A 51 18.121 -9.603 4.598 1.00 0.00 N ATOM 843 CA ILE A 51 19.069 -8.602 4.014 1.00 0.00 C ATOM 844 C ILE A 51 20.518 -9.148 4.243 1.00 0.00 C ATOM 845 O ILE A 51 21.095 -8.975 5.324 1.00 0.00 O ATOM 846 CB ILE A 51 18.858 -7.147 4.588 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.403 -6.602 4.433 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.861 -6.130 3.969 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.092 -5.292 5.184 1.00 0.00 C ATOM 0 H ILE A 51 17.934 -9.462 5.591 1.00 0.00 H new ATOM 0 HA ILE A 51 18.881 -8.489 2.946 1.00 0.00 H new ATOM 0 HB ILE A 51 19.049 -7.247 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.205 -6.446 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.710 -7.369 4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.683 -5.141 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.881 -6.442 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.723 -6.094 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.055 -5.007 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.249 -5.439 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.752 -4.502 4.826 1.00 0.00 H new ATOM 861 N ARG A 52 21.123 -9.779 3.220 1.00 0.00 N ATOM 862 CA ARG A 52 22.539 -10.230 3.283 1.00 0.00 C ATOM 863 C ARG A 52 23.486 -9.071 2.852 1.00 0.00 C ATOM 864 O ARG A 52 23.690 -8.848 1.656 1.00 0.00 O ATOM 865 CB ARG A 52 22.774 -11.483 2.401 1.00 0.00 C ATOM 866 CG ARG A 52 21.945 -12.753 2.697 1.00 0.00 C ATOM 867 CD ARG A 52 22.392 -13.923 1.805 1.00 0.00 C ATOM 868 NE ARG A 52 21.577 -15.128 2.088 1.00 0.00 N ATOM 869 CZ ARG A 52 21.615 -16.257 1.382 1.00 0.00 C ATOM 870 NH1 ARG A 52 22.389 -16.456 0.334 1.00 0.00 N ATOM 871 NH2 ARG A 52 20.832 -17.230 1.755 1.00 0.00 N ATOM 0 H ARG A 52 20.659 -9.991 2.337 1.00 0.00 H new ATOM 0 HA ARG A 52 22.762 -10.507 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.590 -11.200 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.828 -11.749 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.056 -13.028 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.887 -12.548 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.293 -13.647 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.446 -14.140 1.979 1.00 0.00 H new ATOM 0 HE ARG A 52 20.939 -15.090 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.014 -15.716 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.363 -17.350 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 52 20.219 -17.111 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.832 -18.111 1.240 1.00 0.00 H new ATOM 885 N THR A 53 24.079 -8.351 3.822 1.00 0.00 N ATOM 886 CA THR A 53 25.136 -7.334 3.526 1.00 0.00 C ATOM 887 C THR A 53 26.513 -8.060 3.401 1.00 0.00 C ATOM 888 O THR A 53 27.044 -8.602 4.378 1.00 0.00 O ATOM 889 CB THR A 53 25.124 -6.197 4.587 1.00 0.00 C ATOM 890 OG1 THR A 53 23.816 -5.647 4.704 1.00 0.00 O ATOM 891 CG2 THR A 53 26.047 -5.014 4.248 1.00 0.00 C ATOM 0 H THR A 53 23.855 -8.444 4.813 1.00 0.00 H new ATOM 0 HA THR A 53 24.936 -6.842 2.574 1.00 0.00 H new ATOM 0 HB THR A 53 25.472 -6.671 5.505 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.820 -4.933 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.982 -4.264 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.075 -5.366 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.739 -4.572 3.300 1.00 0.00 H new ATOM 899 N LEU A 54 27.030 -8.109 2.165 1.00 0.00 N ATOM 900 CA LEU A 54 28.134 -9.014 1.763 1.00 0.00 C ATOM 901 C LEU A 54 29.391 -8.174 1.383 1.00 0.00 C ATOM 902 O LEU A 54 29.357 -7.371 0.442 1.00 0.00 O ATOM 903 CB LEU A 54 27.657 -9.876 0.554 1.00 0.00 C ATOM 904 CG LEU A 54 26.524 -10.909 0.817 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.895 -11.365 -0.511 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.019 -12.131 1.611 1.00 0.00 C ATOM 0 H LEU A 54 26.695 -7.519 1.404 1.00 0.00 H new ATOM 0 HA LEU A 54 28.403 -9.672 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.320 -9.199 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.520 -10.414 0.162 1.00 0.00 H new ATOM 0 HG LEU A 54 25.770 -10.408 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.104 -12.088 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.476 -10.503 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.659 -11.828 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.191 -12.822 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.809 -12.633 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.408 -11.805 2.576 1.00 0.00 H new ATOM 918 N SER A 55 30.504 -8.370 2.108 1.00 0.00 N ATOM 919 CA SER A 55 31.792 -7.678 1.820 1.00 0.00 C ATOM 920 C SER A 55 33.000 -8.665 1.837 1.00 0.00 C ATOM 921 O SER A 55 32.987 -9.683 2.539 1.00 0.00 O ATOM 922 CB SER A 55 31.964 -6.489 2.805 1.00 0.00 C ATOM 923 OG SER A 55 32.521 -6.863 4.068 1.00 0.00 O ATOM 0 H SER A 55 30.548 -9.005 2.905 1.00 0.00 H new ATOM 0 HA SER A 55 31.767 -7.277 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 55 32.604 -5.737 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 55 30.993 -6.023 2.970 1.00 0.00 H new ATOM 0 HG SER A 55 31.817 -7.235 4.639 1.00 0.00 H new ATOM 929 N THR A 56 34.099 -8.330 1.128 1.00 0.00 N ATOM 930 CA THR A 56 35.391 -9.091 1.257 1.00 0.00 C ATOM 931 C THR A 56 36.219 -8.649 2.525 1.00 0.00 C ATOM 932 O THR A 56 37.362 -8.194 2.435 1.00 0.00 O ATOM 933 CB THR A 56 36.150 -9.010 -0.106 1.00 0.00 C ATOM 934 OG1 THR A 56 35.292 -9.400 -1.177 1.00 0.00 O ATOM 935 CG2 THR A 56 37.373 -9.934 -0.222 1.00 0.00 C ATOM 0 H THR A 56 34.134 -7.554 0.467 1.00 0.00 H new ATOM 0 HA THR A 56 35.199 -10.146 1.452 1.00 0.00 H new ATOM 0 HB THR A 56 36.477 -7.972 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 35.780 -9.343 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.833 -9.807 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 56 38.095 -9.680 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.059 -10.971 -0.100 1.00 0.00 H new ATOM 943 N PHE A 57 35.605 -8.800 3.715 1.00 0.00 N ATOM 944 CA PHE A 57 36.187 -8.445 5.041 1.00 0.00 C ATOM 945 C PHE A 57 35.233 -8.953 6.177 1.00 0.00 C ATOM 946 O PHE A 57 35.627 -9.827 6.953 1.00 0.00 O ATOM 947 CB PHE A 57 36.561 -6.932 5.174 1.00 0.00 C ATOM 948 CG PHE A 57 37.367 -6.563 6.432 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.675 -7.035 6.598 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.811 -5.730 7.408 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.410 -6.688 7.730 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.552 -5.381 8.534 1.00 0.00 C ATOM 953 CZ PHE A 57 38.846 -5.860 8.697 1.00 0.00 C ATOM 0 H PHE A 57 34.663 -9.183 3.791 1.00 0.00 H new ATOM 0 HA PHE A 57 37.145 -8.956 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.135 -6.638 4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.642 -6.345 5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.116 -7.671 5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.805 -5.357 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.416 -7.061 7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.119 -4.735 9.284 1.00 0.00 H new ATOM 0 HZ PHE A 57 39.415 -5.590 9.574 1.00 0.00 H new ATOM 963 N ARG A 58 33.995 -8.419 6.280 1.00 0.00 N ATOM 964 CA ARG A 58 32.973 -8.894 7.256 1.00 0.00 C ATOM 965 C ARG A 58 31.553 -8.947 6.594 1.00 0.00 C ATOM 966 O ARG A 58 31.158 -8.050 5.837 1.00 0.00 O ATOM 967 CB ARG A 58 33.011 -7.979 8.515 1.00 0.00 C ATOM 968 CG ARG A 58 32.279 -8.559 9.754 1.00 0.00 C ATOM 969 CD ARG A 58 32.339 -7.626 10.976 1.00 0.00 C ATOM 970 NE ARG A 58 31.821 -8.321 12.181 1.00 0.00 N ATOM 971 CZ ARG A 58 31.722 -7.773 13.392 1.00 0.00 C ATOM 972 NH1 ARG A 58 31.989 -6.514 13.665 1.00 0.00 N ATOM 973 NH2 ARG A 58 31.334 -8.539 14.373 1.00 0.00 N ATOM 0 H ARG A 58 33.672 -7.649 5.694 1.00 0.00 H new ATOM 0 HA ARG A 58 33.202 -9.913 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.051 -7.789 8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.565 -7.017 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.236 -8.748 9.498 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.722 -9.520 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 58 33.367 -7.305 11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.752 -6.728 10.785 1.00 0.00 H new ATOM 0 HE ARG A 58 31.519 -9.289 12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 58 32.295 -5.885 12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 58 31.889 -6.167 14.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 31.119 -9.521 14.199 1.00 0.00 H new ATOM 0 HH22 ARG A 58 31.246 -8.157 15.315 1.00 0.00 H new ATOM 987 N ASN A 59 30.774 -9.993 6.915 1.00 0.00 N ATOM 988 CA ASN A 59 29.355 -10.127 6.469 1.00 0.00 C ATOM 989 C ASN A 59 28.382 -9.961 7.682 1.00 0.00 C ATOM 990 O ASN A 59 28.623 -10.510 8.763 1.00 0.00 O ATOM 991 CB ASN A 59 29.159 -11.507 5.780 1.00 0.00 C ATOM 992 CG ASN A 59 29.885 -11.703 4.439 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.261 -10.772 3.738 1.00 0.00 O ATOM 994 ND2 ASN A 59 30.084 -12.928 4.022 1.00 0.00 N ATOM 0 H ASN A 59 31.097 -10.773 7.488 1.00 0.00 H new ATOM 0 HA ASN A 59 29.125 -9.340 5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.493 -12.284 6.468 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.092 -11.661 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 59 30.545 -13.094 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 59 29.778 -13.717 4.592 1.00 0.00 H new ATOM 1001 N TYR A 60 27.270 -9.223 7.496 1.00 0.00 N ATOM 1002 CA TYR A 60 26.250 -9.021 8.575 1.00 0.00 C ATOM 1003 C TYR A 60 25.130 -10.111 8.512 1.00 0.00 C ATOM 1004 O TYR A 60 25.118 -11.006 9.359 1.00 0.00 O ATOM 1005 CB TYR A 60 25.773 -7.533 8.542 1.00 0.00 C ATOM 1006 CG TYR A 60 25.015 -6.918 9.748 1.00 0.00 C ATOM 1007 CD1 TYR A 60 24.243 -7.654 10.662 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.080 -5.527 9.891 1.00 0.00 C ATOM 1009 CE1 TYR A 60 23.578 -7.011 11.706 1.00 0.00 C ATOM 1010 CE2 TYR A 60 24.414 -4.886 10.933 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.666 -5.629 11.838 1.00 0.00 C ATOM 1012 OH TYR A 60 23.007 -4.982 12.848 1.00 0.00 O ATOM 0 H TYR A 60 27.045 -8.754 6.618 1.00 0.00 H new ATOM 0 HA TYR A 60 26.681 -9.173 9.564 1.00 0.00 H new ATOM 0 HB2 TYR A 60 26.656 -6.917 8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.131 -7.421 7.668 1.00 0.00 H new ATOM 0 HD1 TYR A 60 24.164 -8.726 10.556 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.653 -4.944 9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.995 -7.585 12.411 1.00 0.00 H new ATOM 0 HE2 TYR A 60 24.479 -3.813 11.037 1.00 0.00 H new ATOM 0 HH TYR A 60 22.306 -5.565 13.207 1.00 0.00 H new ATOM 1022 N ILE A 61 24.195 -10.026 7.543 1.00 0.00 N ATOM 1023 CA ILE A 61 23.034 -10.965 7.402 1.00 0.00 C ATOM 1024 C ILE A 61 21.931 -10.646 8.471 1.00 0.00 C ATOM 1025 O ILE A 61 21.959 -11.160 9.592 1.00 0.00 O ATOM 1026 CB ILE A 61 23.396 -12.489 7.196 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.390 -12.707 6.011 1.00 0.00 C ATOM 1028 CG2 ILE A 61 22.128 -13.366 6.996 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.999 -14.111 5.874 1.00 0.00 C ATOM 0 H ILE A 61 24.214 -9.302 6.825 1.00 0.00 H new ATOM 0 HA ILE A 61 22.582 -10.761 6.431 1.00 0.00 H new ATOM 0 HB ILE A 61 23.891 -12.805 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.871 -12.469 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.205 -11.991 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.423 -14.406 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.487 -13.284 7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.584 -13.023 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.671 -14.134 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.557 -14.355 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.202 -14.841 5.731 1.00 0.00 H new ATOM 1041 N MET A 62 20.941 -9.816 8.094 1.00 0.00 N ATOM 1042 CA MET A 62 19.761 -9.516 8.946 1.00 0.00 C ATOM 1043 C MET A 62 18.558 -10.377 8.449 1.00 0.00 C ATOM 1044 O MET A 62 17.891 -10.028 7.468 1.00 0.00 O ATOM 1045 CB MET A 62 19.464 -7.988 8.911 1.00 0.00 C ATOM 1046 CG MET A 62 20.486 -7.098 9.648 1.00 0.00 C ATOM 1047 SD MET A 62 19.983 -5.361 9.629 1.00 0.00 S ATOM 1048 CE MET A 62 18.862 -5.296 11.042 1.00 0.00 C ATOM 0 H MET A 62 20.930 -9.333 7.196 1.00 0.00 H new ATOM 0 HA MET A 62 19.952 -9.775 9.987 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.414 -7.669 7.870 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.479 -7.817 9.345 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.590 -7.437 10.679 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.465 -7.200 9.179 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.956 -4.329 11.537 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.836 -5.430 10.699 1.00 0.00 H new ATOM 0 HE3 MET A 62 19.116 -6.089 11.745 1.00 0.00 H new ATOM 1058 N ASP A 63 18.283 -11.501 9.133 1.00 0.00 N ATOM 1059 CA ASP A 63 17.152 -12.411 8.820 1.00 0.00 C ATOM 1060 C ASP A 63 15.949 -12.192 9.796 1.00 0.00 C ATOM 1061 O ASP A 63 16.069 -12.437 11.001 1.00 0.00 O ATOM 1062 CB ASP A 63 17.713 -13.860 8.801 1.00 0.00 C ATOM 1063 CG ASP A 63 18.312 -14.433 10.094 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.369 -14.046 10.581 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.541 -15.414 10.638 1.00 0.00 O ATOM 0 H ASP A 63 18.841 -11.812 9.928 1.00 0.00 H new ATOM 0 HA ASP A 63 16.730 -12.196 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.907 -14.523 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.482 -13.907 8.030 1.00 0.00 H new ATOM 1071 N PHE A 64 14.801 -11.692 9.297 1.00 0.00 N ATOM 1072 CA PHE A 64 13.707 -11.169 10.176 1.00 0.00 C ATOM 1073 C PHE A 64 12.310 -11.159 9.480 1.00 0.00 C ATOM 1074 O PHE A 64 12.199 -11.068 8.254 1.00 0.00 O ATOM 1075 CB PHE A 64 14.071 -9.748 10.723 1.00 0.00 C ATOM 1076 CG PHE A 64 14.249 -8.620 9.684 1.00 0.00 C ATOM 1077 CD1 PHE A 64 15.476 -8.461 9.038 1.00 0.00 C ATOM 1078 CD2 PHE A 64 13.172 -7.811 9.313 1.00 0.00 C ATOM 1079 CE1 PHE A 64 15.624 -7.527 8.018 1.00 0.00 C ATOM 1080 CE2 PHE A 64 13.322 -6.874 8.294 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.548 -6.725 7.653 1.00 0.00 C ATOM 0 H PHE A 64 14.597 -11.634 8.299 1.00 0.00 H new ATOM 0 HA PHE A 64 13.624 -11.861 11.014 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.292 -9.444 11.422 1.00 0.00 H new ATOM 0 HB3 PHE A 64 14.996 -9.832 11.294 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.318 -9.069 9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.222 -7.913 9.817 1.00 0.00 H new ATOM 0 HE1 PHE A 64 16.572 -7.425 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.483 -6.260 8.000 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.664 -5.987 6.873 1.00 0.00 H new ATOM 1091 N GLN A 65 11.228 -11.145 10.279 1.00 0.00 N ATOM 1092 CA GLN A 65 9.892 -10.715 9.787 1.00 0.00 C ATOM 1093 C GLN A 65 9.640 -9.206 10.110 1.00 0.00 C ATOM 1094 O GLN A 65 9.779 -8.762 11.254 1.00 0.00 O ATOM 1095 CB GLN A 65 8.809 -11.653 10.375 1.00 0.00 C ATOM 1096 CG GLN A 65 7.422 -11.499 9.700 1.00 0.00 C ATOM 1097 CD GLN A 65 6.334 -12.432 10.229 1.00 0.00 C ATOM 1098 OE1 GLN A 65 5.525 -12.072 11.076 1.00 0.00 O ATOM 1099 NE2 GLN A 65 6.257 -13.645 9.735 1.00 0.00 N ATOM 0 H GLN A 65 11.244 -11.422 11.260 1.00 0.00 H new ATOM 0 HA GLN A 65 9.847 -10.798 8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.141 -12.686 10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.709 -11.454 11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.087 -10.469 9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.536 -11.670 8.629 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.927 -13.952 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.527 -14.281 10.056 1.00 0.00 H new ATOM 1108 N VAL A 66 9.209 -8.434 9.097 1.00 0.00 N ATOM 1109 CA VAL A 66 8.728 -7.030 9.260 1.00 0.00 C ATOM 1110 C VAL A 66 7.410 -7.022 10.117 1.00 0.00 C ATOM 1111 O VAL A 66 6.411 -7.649 9.745 1.00 0.00 O ATOM 1112 CB VAL A 66 8.522 -6.354 7.856 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.227 -4.847 7.997 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.698 -6.458 6.855 1.00 0.00 C ATOM 0 H VAL A 66 9.180 -8.759 8.131 1.00 0.00 H new ATOM 0 HA VAL A 66 9.479 -6.444 9.790 1.00 0.00 H new ATOM 0 HB VAL A 66 7.687 -6.927 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.090 -4.409 7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.320 -4.707 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.063 -4.358 8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.431 -5.953 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.583 -5.987 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.909 -7.507 6.650 1.00 0.00 H new ATOM 1124 N GLY A 67 7.452 -6.378 11.293 1.00 0.00 N ATOM 1125 CA GLY A 67 6.480 -6.645 12.391 1.00 0.00 C ATOM 1126 C GLY A 67 7.080 -7.250 13.687 1.00 0.00 C ATOM 1127 O GLY A 67 6.732 -6.798 14.779 1.00 0.00 O ATOM 0 H GLY A 67 8.146 -5.665 11.519 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.981 -5.710 12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.714 -7.323 12.016 1.00 0.00 H new ATOM 1131 N LYS A 68 7.936 -8.282 13.581 1.00 0.00 N ATOM 1132 CA LYS A 68 8.566 -8.946 14.758 1.00 0.00 C ATOM 1133 C LYS A 68 9.836 -8.202 15.297 1.00 0.00 C ATOM 1134 O LYS A 68 10.552 -7.506 14.566 1.00 0.00 O ATOM 1135 CB LYS A 68 8.920 -10.418 14.390 1.00 0.00 C ATOM 1136 CG LYS A 68 7.719 -11.382 14.241 1.00 0.00 C ATOM 1137 CD LYS A 68 8.162 -12.852 14.093 1.00 0.00 C ATOM 1138 CE LYS A 68 6.971 -13.807 13.937 1.00 0.00 C ATOM 1139 NZ LYS A 68 7.454 -15.191 13.760 1.00 0.00 N ATOM 0 H LYS A 68 8.215 -8.684 12.686 1.00 0.00 H new ATOM 0 HA LYS A 68 7.836 -8.917 15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.477 -10.415 13.453 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.587 -10.814 15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.070 -11.287 15.111 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.130 -11.093 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.816 -12.946 13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.746 -13.143 14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.328 -13.747 14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.367 -13.511 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.641 -15.832 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.049 -15.245 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.012 -15.473 14.591 1.00 0.00 H new ATOM 1152 N GLU A 69 10.123 -8.404 16.597 1.00 0.00 N ATOM 1153 CA GLU A 69 11.343 -7.869 17.257 1.00 0.00 C ATOM 1154 C GLU A 69 12.475 -8.950 17.381 1.00 0.00 C ATOM 1155 O GLU A 69 12.267 -10.058 17.882 1.00 0.00 O ATOM 1156 CB GLU A 69 10.907 -7.255 18.615 1.00 0.00 C ATOM 1157 CG GLU A 69 12.031 -6.507 19.379 1.00 0.00 C ATOM 1158 CD GLU A 69 11.553 -5.614 20.520 1.00 0.00 C ATOM 1159 OE1 GLU A 69 11.670 -4.392 20.515 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.004 -6.334 21.540 1.00 0.00 O ATOM 0 H GLU A 69 9.522 -8.940 17.223 1.00 0.00 H new ATOM 0 HA GLU A 69 11.798 -7.088 16.648 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.084 -6.563 18.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.522 -8.052 19.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.728 -7.243 19.781 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.588 -5.896 18.669 1.00 0.00 H new ATOM 1168 N PHE A 70 13.694 -8.574 16.968 1.00 0.00 N ATOM 1169 CA PHE A 70 14.943 -9.346 17.218 1.00 0.00 C ATOM 1170 C PHE A 70 15.388 -9.372 18.723 1.00 0.00 C ATOM 1171 O PHE A 70 15.194 -8.408 19.464 1.00 0.00 O ATOM 1172 CB PHE A 70 16.105 -8.613 16.478 1.00 0.00 C ATOM 1173 CG PHE A 70 16.236 -8.627 14.949 1.00 0.00 C ATOM 1174 CD1 PHE A 70 15.571 -7.671 14.176 1.00 0.00 C ATOM 1175 CD2 PHE A 70 17.243 -9.400 14.360 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.948 -7.443 12.858 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.615 -9.179 13.037 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.979 -8.188 12.295 1.00 0.00 C ATOM 0 H PHE A 70 13.854 -7.714 16.443 1.00 0.00 H new ATOM 0 HA PHE A 70 14.744 -10.365 16.886 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.058 -7.567 16.779 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.035 -9.018 16.876 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.758 -7.105 14.606 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.734 -10.172 14.935 1.00 0.00 H new ATOM 0 HE1 PHE A 70 15.442 -6.690 12.273 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.395 -9.775 12.587 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.287 -7.997 11.278 1.00 0.00 H new ATOM 1188 N GLU A 71 16.186 -10.383 19.092 1.00 0.00 N ATOM 1189 CA GLU A 71 17.415 -10.152 19.902 1.00 0.00 C ATOM 1190 C GLU A 71 18.661 -10.305 18.971 1.00 0.00 C ATOM 1191 O GLU A 71 18.999 -11.425 18.569 1.00 0.00 O ATOM 1192 CB GLU A 71 17.500 -11.145 21.092 1.00 0.00 C ATOM 1193 CG GLU A 71 16.469 -10.892 22.212 1.00 0.00 C ATOM 1194 CD GLU A 71 16.724 -11.708 23.475 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.129 -12.744 23.754 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.692 -11.157 24.260 1.00 0.00 O ATOM 0 H GLU A 71 16.016 -11.360 18.852 1.00 0.00 H new ATOM 0 HA GLU A 71 17.384 -9.147 20.322 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.365 -12.158 20.714 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.501 -11.095 21.519 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.475 -9.832 22.467 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.473 -11.123 21.836 1.00 0.00 H new ATOM 1204 N GLU A 72 19.370 -9.207 18.636 1.00 0.00 N ATOM 1205 CA GLU A 72 20.663 -9.301 17.889 1.00 0.00 C ATOM 1206 C GLU A 72 21.829 -9.672 18.865 1.00 0.00 C ATOM 1207 O GLU A 72 22.508 -8.793 19.406 1.00 0.00 O ATOM 1208 CB GLU A 72 20.997 -7.990 17.132 1.00 0.00 C ATOM 1209 CG GLU A 72 20.081 -7.567 15.959 1.00 0.00 C ATOM 1210 CD GLU A 72 20.650 -6.329 15.271 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.568 -6.366 14.454 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.122 -5.168 15.754 1.00 0.00 O ATOM 0 H GLU A 72 19.083 -8.255 18.862 1.00 0.00 H new ATOM 0 HA GLU A 72 20.550 -10.089 17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.002 -7.178 17.859 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.012 -8.078 16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.994 -8.384 15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.077 -7.359 16.328 1.00 0.00 H new ATOM 1363 N CYS A 82 20.532 -6.559 21.010 1.00 0.00 N ATOM 1364 CA CYS A 82 19.668 -5.411 20.626 1.00 0.00 C ATOM 1365 C CYS A 82 18.191 -5.865 20.409 1.00 0.00 C ATOM 1366 O CYS A 82 17.911 -6.759 19.598 1.00 0.00 O ATOM 1367 CB CYS A 82 20.230 -4.714 19.368 1.00 0.00 C ATOM 1368 SG CYS A 82 21.988 -4.261 19.566 1.00 0.00 S ATOM 0 HA CYS A 82 19.670 -4.691 21.445 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.120 -5.374 18.508 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.646 -3.818 19.158 1.00 0.00 H new ATOM 0 HG CYS A 82 22.412 -3.682 18.482 1.00 0.00 H new ATOM 1374 N MET A 83 17.250 -5.210 21.110 1.00 0.00 N ATOM 1375 CA MET A 83 15.787 -5.362 20.869 1.00 0.00 C ATOM 1376 C MET A 83 15.343 -4.601 19.573 1.00 0.00 C ATOM 1377 O MET A 83 14.742 -3.523 19.613 1.00 0.00 O ATOM 1378 CB MET A 83 15.045 -4.877 22.147 1.00 0.00 C ATOM 1379 CG MET A 83 15.000 -5.853 23.342 1.00 0.00 C ATOM 1380 SD MET A 83 13.441 -6.767 23.343 1.00 0.00 S ATOM 1381 CE MET A 83 13.937 -8.353 22.654 1.00 0.00 C ATOM 0 H MET A 83 17.472 -4.558 21.862 1.00 0.00 H new ATOM 0 HA MET A 83 15.530 -6.406 20.688 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.515 -3.952 22.482 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.020 -4.631 21.871 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.838 -6.548 23.285 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.107 -5.301 24.276 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.110 -8.777 22.085 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.795 -8.212 21.997 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.207 -9.032 23.462 1.00 0.00 H new ATOM 1391 N THR A 84 15.677 -5.164 18.401 1.00 0.00 N ATOM 1392 CA THR A 84 15.559 -4.434 17.103 1.00 0.00 C ATOM 1393 C THR A 84 14.175 -4.731 16.454 1.00 0.00 C ATOM 1394 O THR A 84 13.767 -5.883 16.341 1.00 0.00 O ATOM 1395 CB THR A 84 16.788 -4.724 16.189 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.974 -4.269 16.832 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.750 -4.040 14.813 1.00 0.00 C ATOM 0 H THR A 84 16.030 -6.117 18.313 1.00 0.00 H new ATOM 0 HA THR A 84 15.586 -3.357 17.270 1.00 0.00 H new ATOM 0 HB THR A 84 16.765 -5.802 16.027 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.753 -4.707 16.430 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.647 -4.302 14.251 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.868 -4.373 14.265 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.708 -2.959 14.945 1.00 0.00 H new ATOM 1405 N THR A 85 13.451 -3.689 16.037 1.00 0.00 N ATOM 1406 CA THR A 85 12.094 -3.823 15.421 1.00 0.00 C ATOM 1407 C THR A 85 12.114 -3.156 14.011 1.00 0.00 C ATOM 1408 O THR A 85 12.606 -2.031 13.856 1.00 0.00 O ATOM 1409 CB THR A 85 11.031 -3.180 16.360 1.00 0.00 C ATOM 1410 OG1 THR A 85 11.036 -3.816 17.634 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.579 -3.289 15.857 1.00 0.00 C ATOM 0 H THR A 85 13.773 -2.724 16.109 1.00 0.00 H new ATOM 0 HA THR A 85 11.826 -4.872 15.296 1.00 0.00 H new ATOM 0 HB THR A 85 11.320 -2.130 16.399 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.363 -3.398 18.211 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.909 -2.815 16.574 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.490 -2.790 14.892 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.309 -4.340 15.749 1.00 0.00 H new ATOM 1419 N VAL A 86 11.554 -3.838 12.995 1.00 0.00 N ATOM 1420 CA VAL A 86 11.472 -3.306 11.600 1.00 0.00 C ATOM 1421 C VAL A 86 9.962 -3.233 11.181 1.00 0.00 C ATOM 1422 O VAL A 86 9.176 -4.136 11.487 1.00 0.00 O ATOM 1423 CB VAL A 86 12.358 -4.130 10.598 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.463 -3.426 9.226 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.814 -4.392 11.055 1.00 0.00 C ATOM 0 H VAL A 86 11.146 -4.766 13.104 1.00 0.00 H new ATOM 0 HA VAL A 86 11.887 -2.299 11.566 1.00 0.00 H new ATOM 0 HB VAL A 86 11.835 -5.085 10.545 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.083 -4.023 8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.467 -3.316 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.913 -2.442 9.356 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.337 -4.968 10.291 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.325 -3.441 11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.807 -4.952 11.990 1.00 0.00 H new ATOM 1435 N SER A 87 9.524 -2.153 10.501 1.00 0.00 N ATOM 1436 CA SER A 87 8.094 -1.953 10.110 1.00 0.00 C ATOM 1437 C SER A 87 7.930 -1.179 8.756 1.00 0.00 C ATOM 1438 O SER A 87 8.761 -0.343 8.382 1.00 0.00 O ATOM 1439 CB SER A 87 7.347 -1.275 11.284 1.00 0.00 C ATOM 1440 OG SER A 87 7.245 -2.176 12.387 1.00 0.00 O ATOM 0 H SER A 87 10.138 -1.395 10.205 1.00 0.00 H new ATOM 0 HA SER A 87 7.644 -2.927 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.877 -0.373 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.352 -0.967 10.963 1.00 0.00 H new ATOM 0 HG SER A 87 6.773 -1.737 13.125 1.00 0.00 H new ATOM 1446 N TRP A 88 6.831 -1.449 8.016 1.00 0.00 N ATOM 1447 CA TRP A 88 6.514 -0.736 6.739 1.00 0.00 C ATOM 1448 C TRP A 88 5.822 0.646 7.000 1.00 0.00 C ATOM 1449 O TRP A 88 4.813 0.728 7.707 1.00 0.00 O ATOM 1450 CB TRP A 88 5.618 -1.616 5.814 1.00 0.00 C ATOM 1451 CG TRP A 88 6.268 -2.867 5.199 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.886 -4.211 5.423 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.314 -2.932 4.295 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.703 -5.114 4.709 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.589 -4.297 4.032 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.032 -1.915 3.619 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.612 -4.653 3.124 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.024 -2.287 2.716 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.316 -3.634 2.476 1.00 0.00 C ATOM 0 H TRP A 88 6.142 -2.155 8.275 1.00 0.00 H new ATOM 0 HA TRP A 88 7.462 -0.549 6.236 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.747 -1.934 6.388 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.252 -0.989 5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.069 -4.510 6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.652 -6.133 4.696 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.814 -0.873 3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.845 -5.690 2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.578 -1.522 2.192 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.099 -3.891 1.778 1.00 0.00 H new ATOM 1470 N ASP A 89 6.372 1.729 6.427 1.00 0.00 N ATOM 1471 CA ASP A 89 6.002 3.131 6.792 1.00 0.00 C ATOM 1472 C ASP A 89 5.128 3.952 5.782 1.00 0.00 C ATOM 1473 O ASP A 89 4.525 4.935 6.219 1.00 0.00 O ATOM 1474 CB ASP A 89 7.363 3.796 7.146 1.00 0.00 C ATOM 1475 CG ASP A 89 7.450 5.273 7.546 1.00 0.00 C ATOM 1476 OD1 ASP A 89 8.391 5.987 7.208 1.00 0.00 O ATOM 1477 OD2 ASP A 89 6.421 5.683 8.347 1.00 0.00 O ATOM 0 H ASP A 89 7.084 1.672 5.699 1.00 0.00 H new ATOM 0 HA ASP A 89 5.294 3.114 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.794 3.220 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.016 3.662 6.283 1.00 0.00 H new ATOM 1483 N GLY A 90 5.072 3.624 4.481 1.00 0.00 N ATOM 1484 CA GLY A 90 4.379 4.481 3.474 1.00 0.00 C ATOM 1485 C GLY A 90 4.839 4.206 2.034 1.00 0.00 C ATOM 1486 O GLY A 90 4.112 3.596 1.255 1.00 0.00 O ATOM 0 H GLY A 90 5.492 2.780 4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.304 4.317 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.558 5.529 3.713 1.00 0.00 H new ATOM 1490 N ASP A 91 6.073 4.600 1.702 1.00 0.00 N ATOM 1491 CA ASP A 91 6.898 3.858 0.692 1.00 0.00 C ATOM 1492 C ASP A 91 8.318 3.452 1.248 1.00 0.00 C ATOM 1493 O ASP A 91 9.294 3.400 0.492 1.00 0.00 O ATOM 1494 CB ASP A 91 6.978 4.697 -0.618 1.00 0.00 C ATOM 1495 CG ASP A 91 5.672 4.827 -1.401 1.00 0.00 C ATOM 1496 OD1 ASP A 91 5.040 5.873 -1.508 1.00 0.00 O ATOM 1497 OD2 ASP A 91 5.291 3.650 -1.971 1.00 0.00 O ATOM 0 H ASP A 91 6.535 5.417 2.102 1.00 0.00 H new ATOM 0 HA ASP A 91 6.408 2.911 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.331 5.697 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.728 4.249 -1.270 1.00 0.00 H new ATOM 1503 N LYS A 92 8.454 3.169 2.563 1.00 0.00 N ATOM 1504 CA LYS A 92 9.773 3.085 3.250 1.00 0.00 C ATOM 1505 C LYS A 92 9.775 1.921 4.291 1.00 0.00 C ATOM 1506 O LYS A 92 8.771 1.633 4.953 1.00 0.00 O ATOM 1507 CB LYS A 92 10.095 4.444 3.948 1.00 0.00 C ATOM 1508 CG LYS A 92 10.261 5.678 3.026 1.00 0.00 C ATOM 1509 CD LYS A 92 10.552 6.978 3.802 1.00 0.00 C ATOM 1510 CE LYS A 92 10.630 8.235 2.918 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.899 8.301 2.160 1.00 0.00 N ATOM 0 H LYS A 92 7.661 2.993 3.179 1.00 0.00 H new ATOM 0 HA LYS A 92 10.544 2.879 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.299 4.657 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.013 4.322 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.073 5.492 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.353 5.809 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.774 7.122 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.494 6.865 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.791 8.242 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.534 9.124 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.911 9.162 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.699 8.321 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.980 7.466 1.545 1.00 0.00 H new ATOM 1524 N LEU A 93 10.936 1.281 4.476 1.00 0.00 N ATOM 1525 CA LEU A 93 11.154 0.270 5.540 1.00 0.00 C ATOM 1526 C LEU A 93 11.906 0.935 6.736 1.00 0.00 C ATOM 1527 O LEU A 93 13.096 1.255 6.634 1.00 0.00 O ATOM 1528 CB LEU A 93 11.937 -0.888 4.867 1.00 0.00 C ATOM 1529 CG LEU A 93 12.202 -2.140 5.734 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.911 -2.921 6.026 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.208 -3.054 5.019 1.00 0.00 C ATOM 0 H LEU A 93 11.758 1.444 3.895 1.00 0.00 H new ATOM 0 HA LEU A 93 10.231 -0.127 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.388 -1.199 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.897 -0.499 4.529 1.00 0.00 H new ATOM 0 HG LEU A 93 12.609 -1.805 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.144 -3.793 6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.210 -2.279 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.462 -3.246 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.395 -3.937 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.801 -3.359 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.143 -2.515 4.864 1.00 0.00 H new ATOM 1543 N GLN A 94 11.200 1.154 7.857 1.00 0.00 N ATOM 1544 CA GLN A 94 11.778 1.789 9.074 1.00 0.00 C ATOM 1545 C GLN A 94 12.308 0.724 10.077 1.00 0.00 C ATOM 1546 O GLN A 94 11.583 -0.207 10.435 1.00 0.00 O ATOM 1547 CB GLN A 94 10.679 2.642 9.769 1.00 0.00 C ATOM 1548 CG GLN A 94 10.354 3.996 9.112 1.00 0.00 C ATOM 1549 CD GLN A 94 11.437 5.064 9.276 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.400 4.960 10.028 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.305 6.128 8.545 1.00 0.00 N ATOM 0 H GLN A 94 10.217 0.901 7.955 1.00 0.00 H new ATOM 0 HA GLN A 94 12.617 2.414 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.763 2.053 9.811 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.987 2.826 10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.180 3.835 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.423 4.375 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.506 6.220 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.000 6.872 8.598 1.00 0.00 H new ATOM 1560 N CYS A 95 13.542 0.899 10.570 1.00 0.00 N ATOM 1561 CA CYS A 95 14.133 0.045 11.628 1.00 0.00 C ATOM 1562 C CYS A 95 14.576 0.895 12.848 1.00 0.00 C ATOM 1563 O CYS A 95 15.278 1.901 12.702 1.00 0.00 O ATOM 1564 CB CYS A 95 15.337 -0.699 11.026 1.00 0.00 C ATOM 1565 SG CYS A 95 16.233 -1.683 12.283 1.00 0.00 S ATOM 0 H CYS A 95 14.167 1.639 10.249 1.00 0.00 H new ATOM 0 HA CYS A 95 13.388 -0.667 11.983 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.994 -1.357 10.227 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.020 0.021 10.575 1.00 0.00 H new ATOM 0 HG CYS A 95 17.100 -2.453 11.695 1.00 0.00 H new ATOM 1571 N VAL A 96 14.214 0.440 14.057 1.00 0.00 N ATOM 1572 CA VAL A 96 14.747 0.995 15.335 1.00 0.00 C ATOM 1573 C VAL A 96 15.580 -0.110 16.074 1.00 0.00 C ATOM 1574 O VAL A 96 15.105 -1.231 16.284 1.00 0.00 O ATOM 1575 CB VAL A 96 13.591 1.645 16.170 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.475 0.682 16.638 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.117 2.433 17.390 1.00 0.00 C ATOM 0 H VAL A 96 13.547 -0.320 14.189 1.00 0.00 H new ATOM 0 HA VAL A 96 15.444 1.813 15.153 1.00 0.00 H new ATOM 0 HB VAL A 96 13.132 2.323 15.450 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.729 1.238 17.206 1.00 0.00 H new ATOM 0 HG12 VAL A 96 12.002 0.223 15.769 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.906 -0.095 17.269 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.277 2.863 17.935 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.669 1.761 18.047 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.777 3.232 17.050 1.00 0.00 H new ATOM 1587 N GLN A 97 16.829 0.210 16.451 1.00 0.00 N ATOM 1588 CA GLN A 97 17.780 -0.745 17.092 1.00 0.00 C ATOM 1589 C GLN A 97 17.903 -0.415 18.615 1.00 0.00 C ATOM 1590 O GLN A 97 18.722 0.416 19.020 1.00 0.00 O ATOM 1591 CB GLN A 97 19.145 -0.630 16.346 1.00 0.00 C ATOM 1592 CG GLN A 97 19.191 -1.166 14.887 1.00 0.00 C ATOM 1593 CD GLN A 97 20.348 -0.624 14.038 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.193 0.304 13.254 1.00 0.00 O ATOM 1595 NE2 GLN A 97 21.536 -1.169 14.131 1.00 0.00 N ATOM 0 H GLN A 97 17.221 1.143 16.323 1.00 0.00 H new ATOM 0 HA GLN A 97 17.428 -1.774 17.018 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.438 0.420 16.332 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.897 -1.163 16.928 1.00 0.00 H new ATOM 0 HG2 GLN A 97 19.259 -2.253 14.916 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.251 -0.919 14.394 1.00 0.00 H new ATOM 0 HE21 GLN A 97 21.693 -1.943 14.776 1.00 0.00 H new ATOM 0 HE22 GLN A 97 22.304 -0.819 13.558 1.00 0.00 H new ATOM 1604 N LYS A 98 17.074 -1.038 19.472 1.00 0.00 N ATOM 1605 CA LYS A 98 16.939 -0.614 20.898 1.00 0.00 C ATOM 1606 C LYS A 98 17.947 -1.363 21.831 1.00 0.00 C ATOM 1607 O LYS A 98 17.972 -2.597 21.867 1.00 0.00 O ATOM 1608 CB LYS A 98 15.484 -0.845 21.394 1.00 0.00 C ATOM 1609 CG LYS A 98 14.337 -0.168 20.606 1.00 0.00 C ATOM 1610 CD LYS A 98 12.952 -0.532 21.186 1.00 0.00 C ATOM 1611 CE LYS A 98 11.747 0.011 20.398 1.00 0.00 C ATOM 1612 NZ LYS A 98 11.625 1.481 20.495 1.00 0.00 N ATOM 0 H LYS A 98 16.487 -1.832 19.215 1.00 0.00 H new ATOM 0 HA LYS A 98 17.174 0.449 20.944 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.298 -1.919 21.399 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.425 -0.506 22.428 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.468 0.914 20.630 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.385 -0.472 19.560 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.872 -1.618 21.238 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.895 -0.159 22.209 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.843 -0.274 19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.834 -0.452 20.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.799 1.798 19.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.506 1.754 21.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.484 1.927 20.114 1.00 0.00 H new ATOM 1625 N GLY A 99 18.748 -0.631 22.623 1.00 0.00 N ATOM 1626 CA GLY A 99 19.608 -1.264 23.660 1.00 0.00 C ATOM 1627 C GLY A 99 20.696 -0.338 24.224 1.00 0.00 C ATOM 1628 O GLY A 99 20.443 0.411 25.168 1.00 0.00 O ATOM 0 H GLY A 99 18.824 0.385 22.574 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.977 -1.607 24.480 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.083 -2.147 23.233 1.00 0.00 H new ATOM 1632 N GLU A 100 21.912 -0.417 23.665 1.00 0.00 N ATOM 1633 CA GLU A 100 23.095 0.316 24.202 1.00 0.00 C ATOM 1634 C GLU A 100 23.129 1.856 23.913 1.00 0.00 C ATOM 1635 O GLU A 100 23.421 2.629 24.829 1.00 0.00 O ATOM 1636 CB GLU A 100 24.359 -0.437 23.696 1.00 0.00 C ATOM 1637 CG GLU A 100 25.696 -0.018 24.356 1.00 0.00 C ATOM 1638 CD GLU A 100 26.898 -0.779 23.801 1.00 0.00 C ATOM 1639 OE1 GLU A 100 27.310 -1.837 24.264 1.00 0.00 O ATOM 1640 OE2 GLU A 100 27.459 -0.158 22.725 1.00 0.00 O ATOM 0 H GLU A 100 22.115 -0.980 22.839 1.00 0.00 H new ATOM 0 HA GLU A 100 23.044 0.307 25.291 1.00 0.00 H new ATOM 0 HB2 GLU A 100 24.213 -1.505 23.858 1.00 0.00 H new ATOM 0 HB3 GLU A 100 24.443 -0.287 22.620 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.849 1.051 24.207 1.00 0.00 H new ATOM 0 HG3 GLU A 100 25.632 -0.184 25.431 1.00 0.00 H new ATOM 1648 N LYS A 101 22.896 2.294 22.660 1.00 0.00 N ATOM 1649 CA LYS A 101 23.144 3.700 22.229 1.00 0.00 C ATOM 1650 C LYS A 101 21.851 4.470 21.804 1.00 0.00 C ATOM 1651 O LYS A 101 20.872 3.901 21.310 1.00 0.00 O ATOM 1652 CB LYS A 101 24.212 3.667 21.100 1.00 0.00 C ATOM 1653 CG LYS A 101 25.646 3.438 21.629 1.00 0.00 C ATOM 1654 CD LYS A 101 26.704 3.485 20.516 1.00 0.00 C ATOM 1655 CE LYS A 101 28.140 3.632 21.046 1.00 0.00 C ATOM 1656 NZ LYS A 101 28.737 2.330 21.403 1.00 0.00 N ATOM 0 H LYS A 101 22.534 1.695 21.918 1.00 0.00 H new ATOM 0 HA LYS A 101 23.513 4.268 23.083 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.961 2.876 20.394 1.00 0.00 H new ATOM 0 HB3 LYS A 101 24.180 4.607 20.550 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.878 4.196 22.377 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.694 2.471 22.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 26.635 2.574 19.921 1.00 0.00 H new ATOM 0 HD3 LYS A 101 26.483 4.319 19.850 1.00 0.00 H new ATOM 0 HE2 LYS A 101 28.757 4.118 20.290 1.00 0.00 H new ATOM 0 HE3 LYS A 101 28.138 4.281 21.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 29.577 2.484 21.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 28.042 1.762 21.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 29.013 1.826 20.537 1.00 0.00 H new ATOM 1669 N GLU A 102 21.883 5.806 21.984 1.00 0.00 N ATOM 1670 CA GLU A 102 20.751 6.714 21.641 1.00 0.00 C ATOM 1671 C GLU A 102 20.592 6.985 20.107 1.00 0.00 C ATOM 1672 O GLU A 102 21.557 6.883 19.344 1.00 0.00 O ATOM 1673 CB GLU A 102 20.909 8.007 22.497 1.00 0.00 C ATOM 1674 CG GLU A 102 22.116 8.938 22.183 1.00 0.00 C ATOM 1675 CD GLU A 102 22.239 10.134 23.124 1.00 0.00 C ATOM 1676 OE1 GLU A 102 21.780 11.243 22.869 1.00 0.00 O ATOM 1677 OE2 GLU A 102 22.918 9.823 24.268 1.00 0.00 O ATOM 0 H GLU A 102 22.691 6.294 22.371 1.00 0.00 H new ATOM 0 HA GLU A 102 19.809 6.225 21.890 1.00 0.00 H new ATOM 0 HB2 GLU A 102 19.996 8.593 22.391 1.00 0.00 H new ATOM 0 HB3 GLU A 102 20.977 7.710 23.544 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.035 8.354 22.233 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.024 9.302 21.160 1.00 0.00 H new ATOM 1685 N GLY A 103 19.367 7.304 19.644 1.00 0.00 N ATOM 1686 CA GLY A 103 19.086 7.562 18.193 1.00 0.00 C ATOM 1687 C GLY A 103 19.472 6.499 17.127 1.00 0.00 C ATOM 1688 O GLY A 103 19.900 6.858 16.030 1.00 0.00 O ATOM 0 H GLY A 103 18.547 7.392 20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.016 7.744 18.097 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.592 8.489 17.924 1.00 0.00 H new ATOM 1692 N ARG A 104 19.334 5.212 17.469 1.00 0.00 N ATOM 1693 CA ARG A 104 19.944 4.087 16.718 1.00 0.00 C ATOM 1694 C ARG A 104 18.896 3.395 15.788 1.00 0.00 C ATOM 1695 O ARG A 104 17.909 2.822 16.264 1.00 0.00 O ATOM 1696 CB ARG A 104 20.524 3.151 17.818 1.00 0.00 C ATOM 1697 CG ARG A 104 21.669 2.209 17.385 1.00 0.00 C ATOM 1698 CD ARG A 104 21.988 1.190 18.498 1.00 0.00 C ATOM 1699 NE ARG A 104 23.326 0.586 18.293 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.899 -0.288 19.116 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.294 -0.843 20.143 1.00 0.00 N ATOM 1702 NH2 ARG A 104 25.136 -0.628 18.874 1.00 0.00 N ATOM 0 H ARG A 104 18.793 4.911 18.280 1.00 0.00 H new ATOM 0 HA ARG A 104 20.730 4.404 16.033 1.00 0.00 H new ATOM 0 HB2 ARG A 104 20.884 3.771 18.639 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.711 2.541 18.212 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.388 1.683 16.473 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.560 2.793 17.154 1.00 0.00 H new ATOM 0 HD2 ARG A 104 21.952 1.683 19.469 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.229 0.408 18.509 1.00 0.00 H new ATOM 0 HE ARG A 104 23.846 0.861 17.459 1.00 0.00 H new ATOM 0 HH11 ARG A 104 22.323 -0.610 20.350 1.00 0.00 H new ATOM 0 HH12 ARG A 104 23.796 -1.507 20.733 1.00 0.00 H new ATOM 0 HH21 ARG A 104 25.629 -0.226 18.076 1.00 0.00 H new ATOM 0 HH22 ARG A 104 25.610 -1.296 19.483 1.00 0.00 H new ATOM 1716 N GLY A 105 19.101 3.451 14.464 1.00 0.00 N ATOM 1717 CA GLY A 105 18.150 2.855 13.489 1.00 0.00 C ATOM 1718 C GLY A 105 18.520 3.048 12.003 1.00 0.00 C ATOM 1719 O GLY A 105 19.605 3.523 11.656 1.00 0.00 O ATOM 0 H GLY A 105 19.911 3.899 14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.071 1.787 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.163 3.286 13.659 1.00 0.00 H new ATOM 1723 N TRP A 106 17.591 2.695 11.101 1.00 0.00 N ATOM 1724 CA TRP A 106 17.763 2.927 9.634 1.00 0.00 C ATOM 1725 C TRP A 106 16.418 3.059 8.850 1.00 0.00 C ATOM 1726 O TRP A 106 15.391 2.492 9.224 1.00 0.00 O ATOM 1727 CB TRP A 106 18.778 1.940 8.974 1.00 0.00 C ATOM 1728 CG TRP A 106 18.560 0.422 9.067 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.295 -0.440 9.909 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.679 -0.396 8.379 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.893 -1.782 9.767 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.879 -1.730 8.825 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.638 -0.097 7.466 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 17.025 -2.765 8.375 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.796 -1.127 7.054 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.989 -2.444 7.494 1.00 0.00 C ATOM 0 H TRP A 106 16.709 2.247 11.349 1.00 0.00 H new ATOM 0 HA TRP A 106 18.221 3.913 9.554 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.832 2.193 7.915 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.758 2.151 9.402 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.073 -0.110 10.582 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.263 -2.603 10.247 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.500 0.909 7.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.171 -3.783 8.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.979 -0.907 6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.326 -3.223 7.147 1.00 0.00 H new ATOM 1747 N THR A 107 16.437 3.808 7.733 1.00 0.00 N ATOM 1748 CA THR A 107 15.282 3.924 6.792 1.00 0.00 C ATOM 1749 C THR A 107 15.724 3.445 5.369 1.00 0.00 C ATOM 1750 O THR A 107 16.646 4.020 4.780 1.00 0.00 O ATOM 1751 CB THR A 107 14.778 5.398 6.776 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.407 5.829 8.080 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.527 5.614 5.916 1.00 0.00 C ATOM 0 H THR A 107 17.249 4.355 7.447 1.00 0.00 H new ATOM 0 HA THR A 107 14.457 3.290 7.118 1.00 0.00 H new ATOM 0 HB THR A 107 15.619 5.959 6.367 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.096 6.757 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.236 6.664 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.742 5.334 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.713 4.998 6.297 1.00 0.00 H new ATOM 1761 N GLN A 108 15.056 2.417 4.810 1.00 0.00 N ATOM 1762 CA GLN A 108 15.418 1.830 3.484 1.00 0.00 C ATOM 1763 C GLN A 108 14.239 1.917 2.461 1.00 0.00 C ATOM 1764 O GLN A 108 13.117 1.491 2.747 1.00 0.00 O ATOM 1765 CB GLN A 108 15.875 0.368 3.728 1.00 0.00 C ATOM 1766 CG GLN A 108 16.630 -0.291 2.548 1.00 0.00 C ATOM 1767 CD GLN A 108 17.076 -1.735 2.806 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.221 -2.017 3.138 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.203 -2.702 2.649 1.00 0.00 N ATOM 0 H GLN A 108 14.255 1.966 5.252 1.00 0.00 H new ATOM 0 HA GLN A 108 16.229 2.401 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.519 0.347 4.607 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.998 -0.236 3.960 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.988 -0.274 1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.508 0.311 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.245 -2.485 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.482 -3.671 2.803 1.00 0.00 H new ATOM 1778 N TRP A 109 14.494 2.434 1.248 1.00 0.00 N ATOM 1779 CA TRP A 109 13.465 2.541 0.166 1.00 0.00 C ATOM 1780 C TRP A 109 14.053 2.272 -1.261 1.00 0.00 C ATOM 1781 O TRP A 109 15.268 2.136 -1.434 1.00 0.00 O ATOM 1782 CB TRP A 109 12.693 3.886 0.319 1.00 0.00 C ATOM 1783 CG TRP A 109 13.417 5.174 -0.099 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.349 5.766 -1.377 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.268 5.976 0.639 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.136 6.929 -1.457 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.689 7.044 -0.194 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.758 5.865 1.966 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.598 8.008 0.293 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.653 6.831 2.427 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.064 7.888 1.603 1.00 0.00 C ATOM 0 H TRP A 109 15.410 2.792 0.977 1.00 0.00 H new ATOM 0 HA TRP A 109 12.733 1.741 0.282 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.774 3.814 -0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.402 3.989 1.364 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.763 5.374 -2.195 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.268 7.544 -2.260 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.445 5.052 2.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 15.926 8.822 -0.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.035 6.763 3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.754 8.623 1.989 1.00 0.00 H new ATOM 1802 N ILE A 110 13.189 2.193 -2.295 1.00 0.00 N ATOM 1803 CA ILE A 110 13.637 2.029 -3.716 1.00 0.00 C ATOM 1804 C ILE A 110 13.141 3.240 -4.577 1.00 0.00 C ATOM 1805 O ILE A 110 11.959 3.595 -4.583 1.00 0.00 O ATOM 1806 CB ILE A 110 13.260 0.611 -4.286 1.00 0.00 C ATOM 1807 CG1 ILE A 110 14.116 -0.497 -3.609 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.426 0.474 -5.827 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.601 -1.928 -3.775 1.00 0.00 C ATOM 0 H ILE A 110 12.176 2.239 -2.184 1.00 0.00 H new ATOM 0 HA ILE A 110 14.726 2.052 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 110 12.201 0.492 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.128 -0.446 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 110 14.185 -0.277 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.145 -0.533 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.784 1.199 -6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.465 0.660 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 110 14.273 -2.618 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.603 -2.008 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.560 -2.179 -4.835 1.00 0.00 H new ATOM 1821 N GLU A 111 14.069 3.809 -5.363 1.00 0.00 N ATOM 1822 CA GLU A 111 13.752 4.748 -6.474 1.00 0.00 C ATOM 1823 C GLU A 111 14.055 4.037 -7.837 1.00 0.00 C ATOM 1824 O GLU A 111 15.174 4.097 -8.358 1.00 0.00 O ATOM 1825 CB GLU A 111 14.570 6.056 -6.276 1.00 0.00 C ATOM 1826 CG GLU A 111 14.004 7.028 -5.213 1.00 0.00 C ATOM 1827 CD GLU A 111 14.884 8.258 -4.993 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.119 9.097 -5.857 1.00 0.00 O ATOM 1829 OE2 GLU A 111 15.384 8.323 -3.728 1.00 0.00 O ATOM 0 H GLU A 111 15.068 3.636 -5.253 1.00 0.00 H new ATOM 0 HA GLU A 111 12.697 5.023 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.590 5.790 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.627 6.579 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.009 7.351 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.890 6.497 -4.268 1.00 0.00 H new ATOM 1837 N GLY A 112 13.051 3.336 -8.401 1.00 0.00 N ATOM 1838 CA GLY A 112 13.190 2.618 -9.702 1.00 0.00 C ATOM 1839 C GLY A 112 14.125 1.386 -9.693 1.00 0.00 C ATOM 1840 O GLY A 112 13.785 0.346 -9.127 1.00 0.00 O ATOM 0 H GLY A 112 12.126 3.247 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.200 2.297 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.556 3.323 -10.448 1.00 0.00 H new ATOM 1844 N ASP A 113 15.310 1.525 -10.305 1.00 0.00 N ATOM 1845 CA ASP A 113 16.424 0.535 -10.157 1.00 0.00 C ATOM 1846 C ASP A 113 17.415 0.740 -8.951 1.00 0.00 C ATOM 1847 O ASP A 113 18.356 -0.049 -8.819 1.00 0.00 O ATOM 1848 CB ASP A 113 17.171 0.430 -11.520 1.00 0.00 C ATOM 1849 CG ASP A 113 17.996 1.637 -11.995 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.800 2.796 -11.640 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.988 1.272 -12.854 1.00 0.00 O ATOM 0 H ASP A 113 15.537 2.312 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 113 15.948 -0.408 -9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.840 -0.429 -11.467 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.430 0.211 -12.289 1.00 0.00 H new ATOM 1857 N GLU A 114 17.240 1.770 -8.098 1.00 0.00 N ATOM 1858 CA GLU A 114 18.200 2.119 -7.020 1.00 0.00 C ATOM 1859 C GLU A 114 17.599 1.886 -5.601 1.00 0.00 C ATOM 1860 O GLU A 114 16.494 2.338 -5.299 1.00 0.00 O ATOM 1861 CB GLU A 114 18.657 3.593 -7.186 1.00 0.00 C ATOM 1862 CG GLU A 114 19.572 3.859 -8.408 1.00 0.00 C ATOM 1863 CD GLU A 114 20.023 5.308 -8.553 1.00 0.00 C ATOM 1864 OE1 GLU A 114 19.669 6.043 -9.469 1.00 0.00 O ATOM 1865 OE2 GLU A 114 20.868 5.679 -7.549 1.00 0.00 O ATOM 0 H GLU A 114 16.429 2.387 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 114 19.062 1.458 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.773 4.225 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.184 3.899 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.454 3.223 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.043 3.563 -9.314 1.00 0.00 H new ATOM 1873 N LEU A 115 18.366 1.223 -4.722 1.00 0.00 N ATOM 1874 CA LEU A 115 18.034 1.081 -3.277 1.00 0.00 C ATOM 1875 C LEU A 115 18.738 2.213 -2.462 1.00 0.00 C ATOM 1876 O LEU A 115 19.961 2.385 -2.519 1.00 0.00 O ATOM 1877 CB LEU A 115 18.455 -0.354 -2.857 1.00 0.00 C ATOM 1878 CG LEU A 115 18.300 -0.765 -1.369 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.855 -1.193 -1.076 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.251 -1.924 -1.026 1.00 0.00 C ATOM 0 H LEU A 115 19.239 0.765 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 115 16.969 1.198 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.878 -1.058 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.502 -0.486 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 115 18.551 0.100 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.765 -1.478 -0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.180 -0.363 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.592 -2.042 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 115 19.128 -2.198 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.019 -2.783 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.281 -1.613 -1.201 1.00 0.00 H new ATOM 1892 N HIS A 116 17.948 2.977 -1.700 1.00 0.00 N ATOM 1893 CA HIS A 116 18.435 4.148 -0.925 1.00 0.00 C ATOM 1894 C HIS A 116 18.278 3.852 0.599 1.00 0.00 C ATOM 1895 O HIS A 116 17.173 3.596 1.091 1.00 0.00 O ATOM 1896 CB HIS A 116 17.630 5.404 -1.355 1.00 0.00 C ATOM 1897 CG HIS A 116 18.030 6.046 -2.688 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.816 5.475 -3.938 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.636 7.307 -2.821 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.347 6.462 -4.727 1.00 0.00 C ATOM 1901 NE2 HIS A 116 18.854 7.598 -4.156 1.00 0.00 N ATOM 0 H HIS A 116 16.947 2.809 -1.596 1.00 0.00 H new ATOM 0 HA HIS A 116 19.490 4.336 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.576 5.132 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.725 6.156 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 116 18.895 7.957 -1.998 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.365 6.343 -5.800 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.272 8.421 -4.589 1.00 0.00 H new ATOM 1909 N LEU A 117 19.400 3.888 1.335 1.00 0.00 N ATOM 1910 CA LEU A 117 19.451 3.543 2.782 1.00 0.00 C ATOM 1911 C LEU A 117 20.027 4.741 3.601 1.00 0.00 C ATOM 1912 O LEU A 117 21.175 5.152 3.398 1.00 0.00 O ATOM 1913 CB LEU A 117 20.307 2.249 2.913 1.00 0.00 C ATOM 1914 CG LEU A 117 20.544 1.709 4.349 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.281 1.110 4.986 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.659 0.653 4.346 1.00 0.00 C ATOM 0 H LEU A 117 20.306 4.157 0.951 1.00 0.00 H new ATOM 0 HA LEU A 117 18.458 3.354 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.827 1.463 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.279 2.437 2.456 1.00 0.00 H new ATOM 0 HG LEU A 117 20.837 2.568 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.514 0.751 5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.506 1.874 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.925 0.279 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.813 0.284 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.374 -0.176 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.583 1.100 3.978 1.00 0.00 H new ATOM 1928 N GLU A 118 19.257 5.255 4.575 1.00 0.00 N ATOM 1929 CA GLU A 118 19.769 6.234 5.576 1.00 0.00 C ATOM 1930 C GLU A 118 19.946 5.537 6.960 1.00 0.00 C ATOM 1931 O GLU A 118 18.956 5.136 7.578 1.00 0.00 O ATOM 1932 CB GLU A 118 18.827 7.463 5.675 1.00 0.00 C ATOM 1933 CG GLU A 118 18.819 8.369 4.420 1.00 0.00 C ATOM 1934 CD GLU A 118 18.124 9.710 4.628 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.013 9.978 4.184 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.893 10.571 5.358 1.00 0.00 O ATOM 0 H GLU A 118 18.274 5.014 4.699 1.00 0.00 H new ATOM 0 HA GLU A 118 20.744 6.597 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.812 7.113 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.121 8.061 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.848 8.549 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.327 7.839 3.605 1.00 0.00 H new ATOM 1944 N MET A 119 21.193 5.399 7.446 1.00 0.00 N ATOM 1945 CA MET A 119 21.494 4.725 8.745 1.00 0.00 C ATOM 1946 C MET A 119 21.874 5.765 9.844 1.00 0.00 C ATOM 1947 O MET A 119 22.751 6.608 9.646 1.00 0.00 O ATOM 1948 CB MET A 119 22.607 3.658 8.591 1.00 0.00 C ATOM 1949 CG MET A 119 22.359 2.531 7.569 1.00 0.00 C ATOM 1950 SD MET A 119 23.536 1.185 7.799 1.00 0.00 S ATOM 1951 CE MET A 119 25.012 1.938 7.101 1.00 0.00 C ATOM 0 H MET A 119 22.022 5.745 6.962 1.00 0.00 H new ATOM 0 HA MET A 119 20.585 4.212 9.061 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.530 4.168 8.315 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.775 3.200 9.566 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.342 2.153 7.678 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.446 2.927 6.557 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.780 1.176 6.966 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.771 2.385 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.381 2.710 7.776 1.00 0.00 H new ATOM 1961 N ARG A 120 21.208 5.698 11.004 1.00 0.00 N ATOM 1962 CA ARG A 120 21.272 6.744 12.066 1.00 0.00 C ATOM 1963 C ARG A 120 21.838 6.143 13.389 1.00 0.00 C ATOM 1964 O ARG A 120 21.396 5.072 13.823 1.00 0.00 O ATOM 1965 CB ARG A 120 19.827 7.265 12.321 1.00 0.00 C ATOM 1966 CG ARG A 120 19.104 7.939 11.118 1.00 0.00 C ATOM 1967 CD ARG A 120 17.575 8.070 11.269 1.00 0.00 C ATOM 1968 NE ARG A 120 16.922 6.733 11.235 1.00 0.00 N ATOM 1969 CZ ARG A 120 15.614 6.518 11.130 1.00 0.00 C ATOM 1970 NH1 ARG A 120 14.713 7.462 10.973 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.198 5.285 11.179 1.00 0.00 N ATOM 0 H ARG A 120 20.601 4.915 11.246 1.00 0.00 H new ATOM 0 HA ARG A 120 21.927 7.553 11.743 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.218 6.426 12.658 1.00 0.00 H new ATOM 0 HB3 ARG A 120 19.864 7.982 13.141 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.526 8.933 10.970 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.317 7.365 10.217 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.340 8.570 12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.178 8.693 10.468 1.00 0.00 H new ATOM 0 HE ARG A 120 17.527 5.915 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.001 8.439 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.725 7.217 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.868 4.525 11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.202 5.079 11.102 1.00 0.00 H new ATOM 1985 N ALA A 121 22.785 6.829 14.055 1.00 0.00 N ATOM 1986 CA ALA A 121 23.231 6.445 15.424 1.00 0.00 C ATOM 1987 C ALA A 121 23.854 7.646 16.182 1.00 0.00 C ATOM 1988 O ALA A 121 24.729 8.350 15.670 1.00 0.00 O ATOM 1989 CB ALA A 121 24.202 5.255 15.403 1.00 0.00 C ATOM 0 H ALA A 121 23.259 7.649 13.677 1.00 0.00 H new ATOM 0 HA ALA A 121 22.337 6.132 15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.500 5.011 16.423 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.711 4.393 14.952 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.085 5.516 14.820 1.00 0.00 H new ATOM 1995 N GLU A 122 23.378 7.882 17.417 1.00 0.00 N ATOM 1996 CA GLU A 122 23.809 9.016 18.294 1.00 0.00 C ATOM 1997 C GLU A 122 23.738 10.449 17.647 1.00 0.00 C ATOM 1998 O GLU A 122 24.673 11.248 17.742 1.00 0.00 O ATOM 1999 CB GLU A 122 25.143 8.695 19.036 1.00 0.00 C ATOM 2000 CG GLU A 122 25.204 7.331 19.778 1.00 0.00 C ATOM 2001 CD GLU A 122 26.177 7.284 20.951 1.00 0.00 C ATOM 2002 OE1 GLU A 122 25.852 7.608 22.092 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.420 6.834 20.599 1.00 0.00 O ATOM 0 H GLU A 122 22.672 7.289 17.853 1.00 0.00 H new ATOM 0 HA GLU A 122 23.040 9.094 19.062 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.955 8.727 18.310 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.332 9.488 19.760 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.206 7.086 20.142 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.481 6.556 19.063 1.00 0.00 H new ATOM 2011 N GLY A 123 22.623 10.744 16.951 1.00 0.00 N ATOM 2012 CA GLY A 123 22.515 11.935 16.062 1.00 0.00 C ATOM 2013 C GLY A 123 23.336 12.020 14.747 1.00 0.00 C ATOM 2014 O GLY A 123 23.370 13.100 14.154 1.00 0.00 O ATOM 0 H GLY A 123 21.777 10.176 16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.464 12.039 15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.778 12.807 16.661 1.00 0.00 H new ATOM 2018 N VAL A 124 23.955 10.927 14.269 1.00 0.00 N ATOM 2019 CA VAL A 124 24.803 10.935 13.040 1.00 0.00 C ATOM 2020 C VAL A 124 24.103 10.065 11.949 1.00 0.00 C ATOM 2021 O VAL A 124 23.851 8.874 12.158 1.00 0.00 O ATOM 2022 CB VAL A 124 26.246 10.422 13.361 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.140 10.303 12.111 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.009 11.307 14.377 1.00 0.00 C ATOM 0 H VAL A 124 23.889 10.011 14.713 1.00 0.00 H new ATOM 0 HA VAL A 124 24.911 11.952 12.664 1.00 0.00 H new ATOM 0 HB VAL A 124 26.066 9.437 13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.127 9.942 12.402 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.691 9.602 11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.236 11.280 11.638 1.00 0.00 H new ATOM 0 HG21 VAL A 124 28.001 10.890 14.550 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.105 12.317 13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.459 11.338 15.318 1.00 0.00 H new ATOM 2034 N THR A 125 23.870 10.658 10.769 1.00 0.00 N ATOM 2035 CA THR A 125 23.229 9.962 9.616 1.00 0.00 C ATOM 2036 C THR A 125 24.299 9.611 8.527 1.00 0.00 C ATOM 2037 O THR A 125 24.919 10.497 7.927 1.00 0.00 O ATOM 2038 CB THR A 125 22.050 10.821 9.060 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.100 11.086 10.090 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.242 10.147 7.938 1.00 0.00 C ATOM 0 H THR A 125 24.115 11.629 10.576 1.00 0.00 H new ATOM 0 HA THR A 125 22.802 9.016 9.948 1.00 0.00 H new ATOM 0 HB THR A 125 22.536 11.716 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.367 11.627 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.444 10.815 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.899 9.930 7.096 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.809 9.218 8.309 1.00 0.00 H new ATOM 2048 N CYS A 126 24.464 8.311 8.239 1.00 0.00 N ATOM 2049 CA CYS A 126 25.111 7.819 6.995 1.00 0.00 C ATOM 2050 C CYS A 126 24.079 7.642 5.838 1.00 0.00 C ATOM 2051 O CYS A 126 22.985 7.111 6.046 1.00 0.00 O ATOM 2052 CB CYS A 126 25.779 6.479 7.362 1.00 0.00 C ATOM 2053 SG CYS A 126 26.349 5.576 5.883 1.00 0.00 S ATOM 0 H CYS A 126 24.154 7.562 8.859 1.00 0.00 H new ATOM 0 HA CYS A 126 25.843 8.538 6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.626 6.664 8.023 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.072 5.860 7.915 1.00 0.00 H new ATOM 0 HG CYS A 126 27.092 4.573 6.246 1.00 0.00 H new ATOM 2059 N LYS A 127 24.445 8.045 4.610 1.00 0.00 N ATOM 2060 CA LYS A 127 23.579 7.876 3.407 1.00 0.00 C ATOM 2061 C LYS A 127 24.266 6.894 2.404 1.00 0.00 C ATOM 2062 O LYS A 127 25.300 7.216 1.809 1.00 0.00 O ATOM 2063 CB LYS A 127 23.263 9.255 2.763 1.00 0.00 C ATOM 2064 CG LYS A 127 22.536 10.278 3.674 1.00 0.00 C ATOM 2065 CD LYS A 127 22.110 11.578 2.962 1.00 0.00 C ATOM 2066 CE LYS A 127 20.864 11.430 2.073 1.00 0.00 C ATOM 2067 NZ LYS A 127 20.540 12.730 1.453 1.00 0.00 N ATOM 0 H LYS A 127 25.339 8.494 4.413 1.00 0.00 H new ATOM 0 HA LYS A 127 22.623 7.441 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.199 9.700 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.651 9.088 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.651 9.804 4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.191 10.533 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 127 21.918 12.344 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 127 22.939 11.932 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.043 10.682 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.020 11.079 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 19.697 12.628 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.352 13.432 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.342 13.047 0.872 1.00 0.00 H new ATOM 2080 N GLN A 128 23.695 5.691 2.223 1.00 0.00 N ATOM 2081 CA GLN A 128 24.197 4.679 1.251 1.00 0.00 C ATOM 2082 C GLN A 128 23.239 4.550 0.027 1.00 0.00 C ATOM 2083 O GLN A 128 22.023 4.387 0.183 1.00 0.00 O ATOM 2084 CB GLN A 128 24.368 3.311 1.967 1.00 0.00 C ATOM 2085 CG GLN A 128 25.644 3.189 2.836 1.00 0.00 C ATOM 2086 CD GLN A 128 25.882 1.819 3.484 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.142 0.852 3.335 1.00 0.00 O ATOM 2088 NE2 GLN A 128 26.964 1.679 4.208 1.00 0.00 N ATOM 0 H GLN A 128 22.872 5.384 2.742 1.00 0.00 H new ATOM 0 HA GLN A 128 25.165 5.006 0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.497 3.136 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.380 2.522 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.507 3.432 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.597 3.940 3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.593 2.471 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.178 0.778 4.636 1.00 0.00 H new ATOM 2097 N VAL A 129 23.802 4.584 -1.196 1.00 0.00 N ATOM 2098 CA VAL A 129 23.018 4.388 -2.454 1.00 0.00 C ATOM 2099 C VAL A 129 23.539 3.093 -3.155 1.00 0.00 C ATOM 2100 O VAL A 129 24.742 2.903 -3.364 1.00 0.00 O ATOM 2101 CB VAL A 129 23.062 5.639 -3.399 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.203 5.453 -4.673 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.563 6.939 -2.732 1.00 0.00 C ATOM 0 H VAL A 129 24.797 4.745 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 129 21.964 4.269 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 129 24.120 5.728 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.270 6.349 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.569 4.595 -5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.164 5.284 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.623 7.760 -3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.529 6.810 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.185 7.165 -1.866 1.00 0.00 H new ATOM 2113 N PHE A 130 22.595 2.234 -3.548 1.00 0.00 N ATOM 2114 CA PHE A 130 22.857 0.954 -4.256 1.00 0.00 C ATOM 2115 C PHE A 130 22.090 0.911 -5.619 1.00 0.00 C ATOM 2116 O PHE A 130 21.027 1.519 -5.760 1.00 0.00 O ATOM 2117 CB PHE A 130 22.374 -0.191 -3.318 1.00 0.00 C ATOM 2118 CG PHE A 130 23.329 -0.648 -2.209 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.460 0.090 -1.027 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.015 -1.858 -2.342 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.265 -0.382 0.007 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.827 -2.322 -1.312 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.947 -1.589 -0.136 1.00 0.00 C ATOM 0 H PHE A 130 21.602 2.402 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 130 23.918 0.847 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.443 0.128 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.139 -1.057 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.936 1.028 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.914 -2.436 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.361 0.187 0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.364 -3.252 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.569 -1.956 0.667 1.00 0.00 H new ATOM 2133 N LYS A 131 22.586 0.144 -6.609 1.00 0.00 N ATOM 2134 CA LYS A 131 21.841 -0.149 -7.871 1.00 0.00 C ATOM 2135 C LYS A 131 21.651 -1.685 -8.096 1.00 0.00 C ATOM 2136 O LYS A 131 22.506 -2.505 -7.742 1.00 0.00 O ATOM 2137 CB LYS A 131 22.536 0.590 -9.045 1.00 0.00 C ATOM 2138 CG LYS A 131 21.775 0.486 -10.394 1.00 0.00 C ATOM 2139 CD LYS A 131 22.216 1.449 -11.514 1.00 0.00 C ATOM 2140 CE LYS A 131 21.568 2.842 -11.417 1.00 0.00 C ATOM 2141 NZ LYS A 131 21.665 3.549 -12.709 1.00 0.00 N ATOM 0 H LYS A 131 23.507 -0.292 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 131 20.823 0.233 -7.802 1.00 0.00 H new ATOM 0 HB2 LYS A 131 22.649 1.642 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.540 0.184 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.876 -0.534 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 131 20.715 0.652 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.300 1.558 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 131 21.968 1.008 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 131 20.522 2.743 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.060 3.425 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 21.223 4.487 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 22.666 3.660 -12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 21.175 2.999 -13.443 1.00 0.00 H new ATOM 2154 N LYS A 132 20.505 -2.070 -8.695 1.00 0.00 N ATOM 2155 CA LYS A 132 20.146 -3.497 -8.915 1.00 0.00 C ATOM 2156 C LYS A 132 20.931 -4.153 -10.095 1.00 0.00 C ATOM 2157 O LYS A 132 20.910 -3.652 -11.224 1.00 0.00 O ATOM 2158 CB LYS A 132 18.611 -3.576 -9.148 1.00 0.00 C ATOM 2159 CG LYS A 132 17.999 -4.941 -8.762 1.00 0.00 C ATOM 2160 CD LYS A 132 16.467 -4.967 -8.911 1.00 0.00 C ATOM 2161 CE LYS A 132 15.867 -6.224 -8.270 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.403 -6.254 -8.434 1.00 0.00 N ATOM 0 H LYS A 132 19.805 -1.412 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 132 20.430 -4.067 -8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.123 -2.791 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.400 -3.376 -10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.434 -5.720 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.264 -5.175 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.039 -4.079 -8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.201 -4.933 -9.968 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.305 -7.113 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.118 -6.251 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.006 -7.029 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.000 -5.349 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.169 -6.405 -9.436 1.00 0.00 H new ATOM 2175 N VAL A 133 21.593 -5.290 -9.827 1.00 0.00 N ATOM 2176 CA VAL A 133 22.297 -6.099 -10.877 1.00 0.00 C ATOM 2177 C VAL A 133 21.526 -7.404 -11.275 1.00 0.00 C ATOM 2178 O VAL A 133 21.426 -7.695 -12.470 1.00 0.00 O ATOM 2179 CB VAL A 133 23.817 -6.323 -10.561 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.606 -4.999 -10.472 1.00 0.00 C ATOM 2181 CG2 VAL A 133 24.137 -7.151 -9.298 1.00 0.00 C ATOM 0 H VAL A 133 21.665 -5.685 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 133 22.286 -5.489 -11.781 1.00 0.00 H new ATOM 0 HB VAL A 133 24.136 -6.914 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.652 -5.213 -10.251 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.536 -4.469 -11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.188 -4.379 -9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 133 25.218 -7.238 -9.184 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.719 -6.655 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.701 -8.145 -9.395 1.00 0.00 H new ATOM 2191 N HIS A 134 20.971 -8.176 -10.315 1.00 0.00 N ATOM 2192 CA HIS A 134 20.022 -9.280 -10.612 1.00 0.00 C ATOM 2193 C HIS A 134 18.607 -8.807 -10.202 1.00 0.00 C ATOM 2194 O HIS A 134 18.295 -8.770 -8.991 1.00 0.00 O ATOM 2195 CB HIS A 134 20.512 -10.563 -9.892 1.00 0.00 C ATOM 2196 CG HIS A 134 19.707 -11.828 -10.187 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.901 -12.631 -11.291 1.00 0.00 N ATOM 2198 CD2 HIS A 134 18.686 -12.362 -9.381 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.960 -13.599 -11.051 1.00 0.00 C ATOM 2200 NE2 HIS A 134 18.175 -13.530 -9.928 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.805 -8.463 -11.099 1.00 0.00 O ATOM 0 H HIS A 134 21.164 -8.056 -9.321 1.00 0.00 H new ATOM 0 HA HIS A 134 19.976 -9.532 -11.671 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.551 -10.741 -10.170 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.496 -10.385 -8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 134 18.344 -11.920 -8.457 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.837 -14.416 -11.746 1.00 0.00 H new ATOM 0 HE2 HIS A 134 17.437 -14.151 -9.595 1.00 0.00 H new