USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 38 THR OG1 : rot 160:sc= -0.0125 USER MOD Set 1.2: A 47 GLN : amide:sc= 1.13 K(o=3.4,f=-0.043) USER MOD Set 1.3: A 98 THR OG1 : rot 180:sc= 0.672 USER MOD Set 1.4: A 127 SER OG : rot 70:sc= 1.58 USER MOD Set 2.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 126 HIS : no HD1:sc= 0 X(o=0,f=0.029) USER MOD Set 3.1: A 57 HIS : no HE2:sc= 0.157 X(o=0.16,f=-0.19) USER MOD Set 3.2: A 119 HIS : no HE2:sc= 0 K(o=0.16,f=-2) USER MOD Set 4.1: A 108 TYR OH : rot 132:sc= 1.06 USER MOD Set 4.2: A 118 SER OG : rot -12:sc= 0.8 USER MOD Set 5.1: A 58 MET CE :methyl 134:sc= -0.858 (180deg=-1.36) USER MOD Set 5.2: A 104 SER OG : rot 79:sc= 0.959 USER MOD Set 6.1: A 40 SER OG : rot -70:sc= 0.298 USER MOD Set 6.2: A 41 ASN :FLIP amide:sc= 0.2 F(o=-0.075,f=0.5) USER MOD Single : A 27 SER OG : rot -3:sc= 0.479 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 42 SER OG : rot 156:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0885 (180deg=-0.445) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 130:sc= 0.0114 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 63 SER OG : rot 90:sc= 1.56 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.0201 (180deg=-0.153) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 1.14 K(o=1.1,f=-0.58) USER MOD Single : A 78 SER OG : rot -86:sc= 0.157 USER MOD Single : A 79 LYS NZ :NH3+ -150:sc= 1.98 (180deg=0.535) USER MOD Single : A 82 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.2) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.043) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0663) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.38 K(o=-0.38,f=-2.4) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc=-0.00586 USER MOD Single : A 116 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.7!) USER MOD Single : A 120 SER OG : rot 180:sc= -0.075 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.0629 F(o=-1.5!,f=-0.063) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.614 -1.692 12.331 1.00 0.00 N ATOM 24 CA LEU A 26 -6.624 -1.867 11.285 1.00 0.00 C ATOM 25 C LEU A 26 -6.972 -0.992 10.089 1.00 0.00 C ATOM 26 O LEU A 26 -7.706 -1.408 9.196 1.00 0.00 O ATOM 27 CB LEU A 26 -6.537 -3.333 10.851 1.00 0.00 C ATOM 28 CG LEU A 26 -6.062 -4.319 11.922 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.169 -5.743 11.406 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.631 -4.016 12.340 1.00 0.00 C ATOM 0 HA LEU A 26 -5.653 -1.569 11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.521 -3.649 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.862 -3.400 9.998 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.703 -4.211 12.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.829 -6.435 12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.207 -5.962 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.549 -5.855 10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.316 -4.729 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.974 -4.096 11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.576 -3.005 12.745 1.00 0.00 H new ATOM 42 N SER A 27 -6.495 0.238 10.108 1.00 0.00 N ATOM 43 CA SER A 27 -6.656 1.157 8.991 1.00 0.00 C ATOM 44 C SER A 27 -5.527 2.173 9.027 1.00 0.00 C ATOM 45 O SER A 27 -5.024 2.502 10.100 1.00 0.00 O ATOM 46 CB SER A 27 -8.010 1.870 9.069 1.00 0.00 C ATOM 47 OG SER A 27 -9.083 0.941 9.063 1.00 0.00 O ATOM 0 H SER A 27 -5.984 0.631 10.898 1.00 0.00 H new ATOM 0 HA SER A 27 -6.623 0.599 8.055 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.054 2.474 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.113 2.553 8.226 1.00 0.00 H new ATOM 0 HG SER A 27 -8.729 0.033 8.962 1.00 0.00 H new ATOM 53 N TRP A 28 -5.125 2.675 7.862 1.00 0.00 N ATOM 54 CA TRP A 28 -3.985 3.581 7.788 1.00 0.00 C ATOM 55 C TRP A 28 -4.308 4.950 8.386 1.00 0.00 C ATOM 56 O TRP A 28 -3.457 5.837 8.419 1.00 0.00 O ATOM 57 CB TRP A 28 -3.475 3.726 6.343 1.00 0.00 C ATOM 58 CG TRP A 28 -4.467 4.267 5.341 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.533 5.095 5.575 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.450 4.038 3.923 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.182 5.378 4.398 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.535 4.745 3.370 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.622 3.301 3.068 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.815 4.735 2.006 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.901 3.294 1.713 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.988 4.009 1.193 1.00 0.00 C ATOM 0 H TRP A 28 -5.567 2.472 6.966 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.189 3.138 8.386 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.603 4.380 6.351 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.137 2.749 5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.822 5.471 6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.011 5.964 4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.781 2.748 3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.655 5.281 1.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.270 2.727 1.044 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.177 3.987 0.130 1.00 0.00 H new ATOM 77 N TYR A 29 -5.532 5.102 8.874 1.00 0.00 N ATOM 78 CA TYR A 29 -5.985 6.357 9.452 1.00 0.00 C ATOM 79 C TYR A 29 -5.717 6.368 10.957 1.00 0.00 C ATOM 80 O TYR A 29 -5.688 7.425 11.590 1.00 0.00 O ATOM 81 CB TYR A 29 -7.480 6.539 9.167 1.00 0.00 C ATOM 82 CG TYR A 29 -8.007 7.932 9.436 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.759 8.973 8.549 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.763 8.206 10.571 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.247 10.246 8.784 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.253 9.476 10.812 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.993 10.491 9.917 1.00 0.00 C ATOM 88 OH TYR A 29 -9.484 11.757 10.156 1.00 0.00 O ATOM 0 H TYR A 29 -6.234 4.362 8.880 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.437 7.184 9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.671 6.288 8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.041 5.829 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.175 8.785 7.660 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.970 7.414 11.275 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.045 11.043 8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.838 9.672 11.699 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.989 11.759 10.996 1.00 0.00 H new ATOM 98 N ASP A 30 -5.494 5.183 11.517 1.00 0.00 N ATOM 99 CA ASP A 30 -5.272 5.037 12.950 1.00 0.00 C ATOM 100 C ASP A 30 -3.843 5.405 13.316 1.00 0.00 C ATOM 101 O ASP A 30 -2.906 5.176 12.544 1.00 0.00 O ATOM 102 CB ASP A 30 -5.569 3.603 13.392 1.00 0.00 C ATOM 103 CG ASP A 30 -7.013 3.220 13.160 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.364 2.887 12.011 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.811 3.265 14.119 1.00 0.00 O ATOM 0 H ASP A 30 -5.462 4.306 10.996 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.949 5.716 13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.921 2.916 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.332 3.495 14.450 1.00 0.00 H new ATOM 110 N PRO A 31 -3.661 5.984 14.512 1.00 0.00 N ATOM 111 CA PRO A 31 -2.369 6.503 14.966 1.00 0.00 C ATOM 112 C PRO A 31 -1.358 5.411 15.294 1.00 0.00 C ATOM 113 O PRO A 31 -0.163 5.681 15.409 1.00 0.00 O ATOM 114 CB PRO A 31 -2.727 7.293 16.227 1.00 0.00 C ATOM 115 CG PRO A 31 -3.975 6.660 16.733 1.00 0.00 C ATOM 116 CD PRO A 31 -4.722 6.184 15.518 1.00 0.00 C ATOM 0 HA PRO A 31 -1.886 7.095 14.188 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.929 7.239 16.967 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.882 8.348 16.002 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.748 5.829 17.401 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.571 7.373 17.302 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.264 5.260 15.718 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.456 6.918 15.186 1.00 0.00 H new ATOM 124 N ASP A 32 -1.826 4.180 15.442 1.00 0.00 N ATOM 125 CA ASP A 32 -0.938 3.069 15.775 1.00 0.00 C ATOM 126 C ASP A 32 -0.793 2.105 14.610 1.00 0.00 C ATOM 127 O ASP A 32 -0.425 0.944 14.794 1.00 0.00 O ATOM 128 CB ASP A 32 -1.432 2.317 17.009 1.00 0.00 C ATOM 129 CG ASP A 32 -1.253 3.109 18.283 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.102 3.232 18.758 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.257 3.618 18.817 1.00 0.00 O ATOM 0 H ASP A 32 -2.808 3.923 15.338 1.00 0.00 H new ATOM 0 HA ASP A 32 0.040 3.498 15.994 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.487 2.073 16.883 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.894 1.373 17.094 1.00 0.00 H new ATOM 136 N PHE A 33 -1.095 2.578 13.413 1.00 0.00 N ATOM 137 CA PHE A 33 -0.904 1.775 12.221 1.00 0.00 C ATOM 138 C PHE A 33 0.401 2.179 11.546 1.00 0.00 C ATOM 139 O PHE A 33 0.602 3.353 11.234 1.00 0.00 O ATOM 140 CB PHE A 33 -2.075 1.962 11.256 1.00 0.00 C ATOM 141 CG PHE A 33 -2.159 0.899 10.196 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.833 -0.288 10.442 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.564 1.082 8.959 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.916 -1.268 9.474 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.644 0.105 7.985 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.319 -1.072 8.244 1.00 0.00 C ATOM 0 H PHE A 33 -1.472 3.510 13.243 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.858 0.723 12.503 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.005 1.970 11.824 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.986 2.936 10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.299 -0.447 11.403 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.031 1.999 8.753 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.447 -2.186 9.678 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.179 0.261 7.023 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.380 -1.838 7.485 1.00 0.00 H new ATOM 156 N GLN A 34 1.282 1.214 11.332 1.00 0.00 N ATOM 157 CA GLN A 34 2.588 1.496 10.753 1.00 0.00 C ATOM 158 C GLN A 34 2.668 1.016 9.311 1.00 0.00 C ATOM 159 O GLN A 34 2.134 -0.040 8.965 1.00 0.00 O ATOM 160 CB GLN A 34 3.693 0.844 11.588 1.00 0.00 C ATOM 161 CG GLN A 34 3.962 1.554 12.901 1.00 0.00 C ATOM 162 CD GLN A 34 4.330 3.013 12.707 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.464 3.886 12.691 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.616 3.291 12.558 1.00 0.00 N ATOM 0 H GLN A 34 1.118 0.231 11.550 1.00 0.00 H new ATOM 0 HA GLN A 34 2.730 2.577 10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.419 -0.191 11.794 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.612 0.820 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.078 1.487 13.535 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.770 1.045 13.427 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.306 2.540 12.577 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.917 4.256 12.424 1.00 0.00 H new ATOM 173 N ALA A 35 3.338 1.800 8.478 1.00 0.00 N ATOM 174 CA ALA A 35 3.524 1.458 7.077 1.00 0.00 C ATOM 175 C ALA A 35 4.838 2.036 6.565 1.00 0.00 C ATOM 176 O ALA A 35 5.339 3.023 7.107 1.00 0.00 O ATOM 177 CB ALA A 35 2.354 1.969 6.247 1.00 0.00 C ATOM 0 H ALA A 35 3.765 2.685 8.753 1.00 0.00 H new ATOM 0 HA ALA A 35 3.563 0.373 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.508 1.705 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.429 1.515 6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.286 3.053 6.342 1.00 0.00 H new ATOM 183 N ARG A 36 5.399 1.411 5.540 1.00 0.00 N ATOM 184 CA ARG A 36 6.655 1.866 4.965 1.00 0.00 C ATOM 185 C ARG A 36 6.663 1.651 3.456 1.00 0.00 C ATOM 186 O ARG A 36 5.787 0.979 2.909 1.00 0.00 O ATOM 187 CB ARG A 36 7.846 1.124 5.585 1.00 0.00 C ATOM 188 CG ARG A 36 7.896 -0.359 5.245 1.00 0.00 C ATOM 189 CD ARG A 36 9.314 -0.905 5.340 1.00 0.00 C ATOM 190 NE ARG A 36 9.882 -0.746 6.677 1.00 0.00 N ATOM 191 CZ ARG A 36 10.942 0.010 6.944 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.560 0.660 5.966 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.400 0.108 8.180 1.00 0.00 N ATOM 0 H ARG A 36 5.003 0.586 5.089 1.00 0.00 H new ATOM 0 HA ARG A 36 6.748 2.930 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.770 1.595 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.807 1.237 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.246 -0.911 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.511 -0.516 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.313 -1.961 5.072 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.947 -0.393 4.616 1.00 0.00 H new ATOM 0 HE ARG A 36 9.440 -1.244 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.222 0.580 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.373 1.240 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.939 -0.398 8.936 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.214 0.690 8.378 1.00 0.00 H new ATOM 206 N LEU A 37 7.655 2.231 2.803 1.00 0.00 N ATOM 207 CA LEU A 37 7.881 2.023 1.380 1.00 0.00 C ATOM 208 C LEU A 37 9.234 1.361 1.179 1.00 0.00 C ATOM 209 O LEU A 37 10.216 1.738 1.822 1.00 0.00 O ATOM 210 CB LEU A 37 7.831 3.354 0.629 1.00 0.00 C ATOM 211 CG LEU A 37 6.458 4.024 0.581 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.575 5.437 0.043 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.498 3.222 -0.279 1.00 0.00 C ATOM 0 H LEU A 37 8.327 2.860 3.243 1.00 0.00 H new ATOM 0 HA LEU A 37 7.097 1.378 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.537 4.042 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.173 3.189 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 37 6.066 4.064 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.588 5.899 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.231 6.020 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.991 5.410 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.527 3.717 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.890 3.151 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.386 2.221 0.137 1.00 0.00 H new ATOM 225 N THR A 38 9.273 0.371 0.302 1.00 0.00 N ATOM 226 CA THR A 38 10.490 -0.387 0.045 1.00 0.00 C ATOM 227 C THR A 38 11.599 0.496 -0.529 1.00 0.00 C ATOM 228 O THR A 38 11.333 1.548 -1.120 1.00 0.00 O ATOM 229 CB THR A 38 10.218 -1.556 -0.922 1.00 0.00 C ATOM 230 OG1 THR A 38 9.565 -1.079 -2.109 1.00 0.00 O ATOM 231 CG2 THR A 38 9.357 -2.621 -0.259 1.00 0.00 C ATOM 0 H THR A 38 8.469 0.071 -0.249 1.00 0.00 H new ATOM 0 HA THR A 38 10.823 -0.781 1.005 1.00 0.00 H new ATOM 0 HB THR A 38 11.177 -2.000 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.682 -1.731 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.179 -3.435 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.870 -3.008 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.404 -2.185 0.039 1.00 0.00 H new ATOM 239 N ARG A 39 12.841 0.054 -0.334 1.00 0.00 N ATOM 240 CA ARG A 39 14.028 0.769 -0.807 1.00 0.00 C ATOM 241 C ARG A 39 14.125 0.766 -2.336 1.00 0.00 C ATOM 242 O ARG A 39 15.052 0.196 -2.915 1.00 0.00 O ATOM 243 CB ARG A 39 15.290 0.143 -0.202 1.00 0.00 C ATOM 244 CG ARG A 39 15.396 -1.360 -0.429 1.00 0.00 C ATOM 245 CD ARG A 39 16.678 -1.930 0.151 1.00 0.00 C ATOM 246 NE ARG A 39 16.766 -1.728 1.596 1.00 0.00 N ATOM 247 CZ ARG A 39 16.726 -2.715 2.484 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.539 -3.967 2.081 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.865 -2.453 3.773 1.00 0.00 N ATOM 0 H ARG A 39 13.054 -0.814 0.158 1.00 0.00 H new ATOM 0 HA ARG A 39 13.941 1.806 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.167 0.629 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.306 0.342 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.539 -1.857 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.356 -1.570 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.732 -2.996 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 39 17.534 -1.460 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 39 16.864 -0.774 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.426 -4.172 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.509 -4.724 2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.003 -1.492 4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.834 -3.212 4.454 1.00 0.00 H new ATOM 262 N SER A 40 13.165 1.406 -2.979 1.00 0.00 N ATOM 263 CA SER A 40 13.153 1.519 -4.426 1.00 0.00 C ATOM 264 C SER A 40 14.117 2.614 -4.875 1.00 0.00 C ATOM 265 O SER A 40 15.087 2.348 -5.590 1.00 0.00 O ATOM 266 CB SER A 40 11.732 1.815 -4.915 1.00 0.00 C ATOM 267 OG SER A 40 11.658 1.794 -6.329 1.00 0.00 O ATOM 0 H SER A 40 12.377 1.859 -2.517 1.00 0.00 H new ATOM 0 HA SER A 40 13.480 0.574 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.043 1.079 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.415 2.791 -4.547 1.00 0.00 H new ATOM 0 HG SER A 40 12.126 2.575 -6.693 1.00 0.00 H new ATOM 273 N ASN A 41 13.856 3.840 -4.433 1.00 0.00 N ATOM 274 CA ASN A 41 14.711 4.980 -4.760 1.00 0.00 C ATOM 275 C ASN A 41 14.775 5.931 -3.575 1.00 0.00 C ATOM 276 O ASN A 41 15.771 5.988 -2.857 1.00 0.00 O ATOM 277 CB ASN A 41 14.190 5.735 -5.992 1.00 0.00 C ATOM 278 CG ASN A 41 14.212 4.903 -7.263 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.114 4.222 -7.546 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 15.203 4.883 -7.989 1.00 0.00 N flip ATOM 0 H ASN A 41 13.056 4.072 -3.845 1.00 0.00 H new ATOM 0 HA ASN A 41 15.707 4.599 -4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.169 6.066 -5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.793 6.630 -6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.031 5.422 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.197 4.327 -8.844 1.00 0.00 H new ATOM 287 N SER A 42 13.688 6.656 -3.368 1.00 0.00 N ATOM 288 CA SER A 42 13.568 7.572 -2.251 1.00 0.00 C ATOM 289 C SER A 42 12.644 6.963 -1.207 1.00 0.00 C ATOM 290 O SER A 42 11.903 6.025 -1.497 1.00 0.00 O ATOM 291 CB SER A 42 13.015 8.917 -2.735 1.00 0.00 C ATOM 292 OG SER A 42 12.872 9.836 -1.666 1.00 0.00 O ATOM 0 H SER A 42 12.866 6.625 -3.971 1.00 0.00 H new ATOM 0 HA SER A 42 14.549 7.743 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.682 9.335 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.049 8.763 -3.215 1.00 0.00 H new ATOM 0 HG SER A 42 12.894 10.751 -2.016 1.00 0.00 H new ATOM 298 N LYS A 43 12.685 7.503 0.004 1.00 0.00 N ATOM 299 CA LYS A 43 11.868 6.987 1.097 1.00 0.00 C ATOM 300 C LYS A 43 10.405 7.363 0.892 1.00 0.00 C ATOM 301 O LYS A 43 9.523 6.871 1.591 1.00 0.00 O ATOM 302 CB LYS A 43 12.350 7.520 2.455 1.00 0.00 C ATOM 303 CG LYS A 43 12.142 9.018 2.648 1.00 0.00 C ATOM 304 CD LYS A 43 13.287 9.838 2.071 1.00 0.00 C ATOM 305 CE LYS A 43 14.570 9.622 2.861 1.00 0.00 C ATOM 306 NZ LYS A 43 14.407 9.994 4.292 1.00 0.00 N ATOM 0 H LYS A 43 13.274 8.297 0.255 1.00 0.00 H new ATOM 0 HA LYS A 43 11.967 5.901 1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.827 6.987 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.411 7.295 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.208 9.317 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.042 9.235 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.447 9.561 1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.023 10.895 2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.869 8.576 2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.372 10.214 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.343 10.145 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.849 10.869 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.915 9.229 4.796 1.00 0.00 H new ATOM 319 N CYS A 44 10.161 8.240 -0.073 1.00 0.00 N ATOM 320 CA CYS A 44 8.817 8.715 -0.349 1.00 0.00 C ATOM 321 C CYS A 44 8.227 8.038 -1.584 1.00 0.00 C ATOM 322 O CYS A 44 7.188 8.459 -2.085 1.00 0.00 O ATOM 323 CB CYS A 44 8.833 10.232 -0.545 1.00 0.00 C ATOM 324 SG CYS A 44 9.491 11.155 0.883 1.00 0.00 S ATOM 0 H CYS A 44 10.880 8.636 -0.678 1.00 0.00 H new ATOM 0 HA CYS A 44 8.188 8.462 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.431 10.468 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.818 10.573 -0.749 1.00 0.00 H new ATOM 329 N GLN A 45 8.876 6.986 -2.078 1.00 0.00 N ATOM 330 CA GLN A 45 8.377 6.292 -3.259 1.00 0.00 C ATOM 331 C GLN A 45 8.811 4.829 -3.270 1.00 0.00 C ATOM 332 O GLN A 45 9.982 4.512 -3.054 1.00 0.00 O ATOM 333 CB GLN A 45 8.850 6.996 -4.536 1.00 0.00 C ATOM 334 CG GLN A 45 10.358 7.023 -4.695 1.00 0.00 C ATOM 335 CD GLN A 45 10.805 7.698 -5.974 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.057 8.902 -6.001 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.893 6.927 -7.047 1.00 0.00 N ATOM 0 H GLN A 45 9.735 6.601 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 45 7.288 6.319 -3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.411 6.496 -5.400 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.475 8.020 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.799 7.542 -3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.738 6.002 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.675 5.933 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.179 7.327 -7.941 1.00 0.00 H new ATOM 346 N GLY A 46 7.861 3.941 -3.517 1.00 0.00 N ATOM 347 CA GLY A 46 8.172 2.528 -3.593 1.00 0.00 C ATOM 348 C GLY A 46 6.961 1.658 -3.337 1.00 0.00 C ATOM 349 O GLY A 46 5.826 2.091 -3.548 1.00 0.00 O ATOM 0 H GLY A 46 6.879 4.173 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.578 2.300 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.948 2.290 -2.866 1.00 0.00 H new ATOM 353 N GLN A 47 7.203 0.436 -2.881 1.00 0.00 N ATOM 354 CA GLN A 47 6.131 -0.510 -2.600 1.00 0.00 C ATOM 355 C GLN A 47 5.646 -0.349 -1.165 1.00 0.00 C ATOM 356 O GLN A 47 6.451 -0.250 -0.241 1.00 0.00 O ATOM 357 CB GLN A 47 6.615 -1.941 -2.834 1.00 0.00 C ATOM 358 CG GLN A 47 6.905 -2.255 -4.294 1.00 0.00 C ATOM 359 CD GLN A 47 7.661 -3.556 -4.476 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.477 -3.937 -3.636 1.00 0.00 O ATOM 361 NE2 GLN A 47 7.384 -4.254 -5.564 1.00 0.00 N ATOM 0 H GLN A 47 8.139 0.075 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 47 5.300 -0.305 -3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.519 -2.110 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.861 -2.636 -2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.965 -2.306 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.484 -1.440 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.701 -3.903 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.853 -5.144 -5.732 1.00 0.00 H new ATOM 370 N LEU A 48 4.333 -0.312 -0.993 1.00 0.00 N ATOM 371 CA LEU A 48 3.739 -0.104 0.321 1.00 0.00 C ATOM 372 C LEU A 48 3.707 -1.392 1.137 1.00 0.00 C ATOM 373 O LEU A 48 3.051 -2.366 0.757 1.00 0.00 O ATOM 374 CB LEU A 48 2.316 0.444 0.181 1.00 0.00 C ATOM 375 CG LEU A 48 1.615 0.791 1.497 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.313 1.951 2.190 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.151 1.120 1.250 1.00 0.00 C ATOM 0 H LEU A 48 3.657 -0.423 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 48 4.362 0.619 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.349 1.339 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.712 -0.292 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 48 1.668 -0.079 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.798 2.181 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.347 1.679 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.295 2.826 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.332 1.364 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.079 1.973 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.345 0.259 0.801 1.00 0.00 H new ATOM 389 N GLU A 49 4.421 -1.388 2.253 1.00 0.00 N ATOM 390 CA GLU A 49 4.351 -2.473 3.219 1.00 0.00 C ATOM 391 C GLU A 49 3.675 -1.975 4.487 1.00 0.00 C ATOM 392 O GLU A 49 3.966 -0.877 4.964 1.00 0.00 O ATOM 393 CB GLU A 49 5.742 -3.013 3.554 1.00 0.00 C ATOM 394 CG GLU A 49 6.474 -3.615 2.368 1.00 0.00 C ATOM 395 CD GLU A 49 7.877 -4.062 2.724 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.722 -3.193 3.024 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.136 -5.283 2.715 1.00 0.00 O ATOM 0 H GLU A 49 5.061 -0.638 2.513 1.00 0.00 H new ATOM 0 HA GLU A 49 3.772 -3.286 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.345 -2.204 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.649 -3.770 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.909 -4.467 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.522 -2.881 1.563 1.00 0.00 H new ATOM 404 N VAL A 50 2.768 -2.770 5.023 1.00 0.00 N ATOM 405 CA VAL A 50 2.023 -2.372 6.206 1.00 0.00 C ATOM 406 C VAL A 50 2.257 -3.342 7.353 1.00 0.00 C ATOM 407 O VAL A 50 2.554 -4.520 7.136 1.00 0.00 O ATOM 408 CB VAL A 50 0.508 -2.273 5.926 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.216 -1.187 4.901 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.044 -3.610 5.458 1.00 0.00 C ATOM 0 H VAL A 50 2.529 -3.693 4.660 1.00 0.00 H new ATOM 0 HA VAL A 50 2.390 -1.385 6.486 1.00 0.00 H new ATOM 0 HB VAL A 50 0.011 -2.005 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.858 -1.136 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.566 -0.226 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.730 -1.419 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.113 -3.516 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.463 -3.912 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.122 -4.362 6.229 1.00 0.00 H new ATOM 420 N TYR A 51 2.138 -2.829 8.570 1.00 0.00 N ATOM 421 CA TYR A 51 2.302 -3.636 9.768 1.00 0.00 C ATOM 422 C TYR A 51 0.948 -4.153 10.245 1.00 0.00 C ATOM 423 O TYR A 51 0.133 -3.397 10.775 1.00 0.00 O ATOM 424 CB TYR A 51 2.979 -2.814 10.873 1.00 0.00 C ATOM 425 CG TYR A 51 3.252 -3.599 12.140 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.334 -4.470 12.226 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.426 -3.472 13.252 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.581 -5.190 13.379 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.668 -4.186 14.407 1.00 0.00 C ATOM 430 CZ TYR A 51 3.745 -5.043 14.466 1.00 0.00 C ATOM 431 OH TYR A 51 3.981 -5.763 15.614 1.00 0.00 O ATOM 0 H TYR A 51 1.926 -1.848 8.753 1.00 0.00 H new ATOM 0 HA TYR A 51 2.937 -4.490 9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.920 -2.417 10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.348 -1.959 11.115 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.992 -4.585 11.377 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.580 -2.802 13.210 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.424 -5.864 13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.016 -4.074 15.261 1.00 0.00 H new ATOM 0 HH TYR A 51 3.301 -5.542 16.284 1.00 0.00 H new ATOM 441 N LEU A 52 0.721 -5.440 10.041 1.00 0.00 N ATOM 442 CA LEU A 52 -0.524 -6.081 10.440 1.00 0.00 C ATOM 443 C LEU A 52 -0.348 -6.815 11.767 1.00 0.00 C ATOM 444 O LEU A 52 0.669 -6.650 12.447 1.00 0.00 O ATOM 445 CB LEU A 52 -0.979 -7.073 9.362 1.00 0.00 C ATOM 446 CG LEU A 52 -1.144 -6.498 7.957 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.364 -7.623 6.960 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.303 -5.514 7.907 1.00 0.00 C ATOM 0 H LEU A 52 1.390 -6.069 9.596 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.282 -5.307 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.257 -7.889 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.931 -7.505 9.671 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.233 -5.961 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.481 -7.205 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.506 -8.295 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.263 -8.177 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.401 -5.118 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.225 -6.023 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.115 -4.695 8.601 1.00 0.00 H new ATOM 460 N LYS A 53 -1.336 -7.629 12.132 1.00 0.00 N ATOM 461 CA LYS A 53 -1.267 -8.425 13.354 1.00 0.00 C ATOM 462 C LYS A 53 -0.125 -9.430 13.269 1.00 0.00 C ATOM 463 O LYS A 53 0.559 -9.700 14.260 1.00 0.00 O ATOM 464 CB LYS A 53 -2.595 -9.151 13.598 1.00 0.00 C ATOM 465 CG LYS A 53 -3.772 -8.216 13.838 1.00 0.00 C ATOM 466 CD LYS A 53 -5.070 -8.987 14.010 1.00 0.00 C ATOM 467 CE LYS A 53 -6.236 -8.055 14.304 1.00 0.00 C ATOM 468 NZ LYS A 53 -7.531 -8.784 14.352 1.00 0.00 N ATOM 0 H LYS A 53 -2.195 -7.754 11.597 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.080 -7.753 14.192 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.815 -9.784 12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.485 -9.810 14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.584 -7.614 14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.866 -7.525 13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.278 -9.558 13.105 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.963 -9.705 14.823 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.067 -7.552 15.256 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.284 -7.281 13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.300 -8.113 14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.705 -9.243 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.495 -9.506 15.100 1.00 0.00 H new ATOM 481 N ASP A 54 0.083 -9.968 12.075 1.00 0.00 N ATOM 482 CA ASP A 54 1.166 -10.915 11.829 1.00 0.00 C ATOM 483 C ASP A 54 2.506 -10.197 11.691 1.00 0.00 C ATOM 484 O ASP A 54 3.488 -10.563 12.340 1.00 0.00 O ATOM 485 CB ASP A 54 0.883 -11.767 10.582 1.00 0.00 C ATOM 486 CG ASP A 54 0.206 -10.996 9.459 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.735 -9.948 9.039 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.873 -11.435 9.009 1.00 0.00 O ATOM 0 H ASP A 54 -0.488 -9.764 11.255 1.00 0.00 H new ATOM 0 HA ASP A 54 1.223 -11.579 12.691 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.822 -12.180 10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.253 -12.611 10.864 1.00 0.00 H new ATOM 493 N GLY A 55 2.557 -9.185 10.840 1.00 0.00 N ATOM 494 CA GLY A 55 3.771 -8.413 10.686 1.00 0.00 C ATOM 495 C GLY A 55 3.742 -7.527 9.462 1.00 0.00 C ATOM 496 O GLY A 55 2.685 -7.048 9.061 1.00 0.00 O ATOM 0 H GLY A 55 1.779 -8.884 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.921 -7.797 11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.623 -9.090 10.620 1.00 0.00 H new ATOM 500 N TRP A 56 4.901 -7.318 8.858 1.00 0.00 N ATOM 501 CA TRP A 56 5.015 -6.440 7.705 1.00 0.00 C ATOM 502 C TRP A 56 4.724 -7.195 6.417 1.00 0.00 C ATOM 503 O TRP A 56 5.378 -8.193 6.108 1.00 0.00 O ATOM 504 CB TRP A 56 6.410 -5.815 7.650 1.00 0.00 C ATOM 505 CG TRP A 56 6.650 -4.810 8.735 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.237 -5.032 9.947 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.300 -3.424 8.707 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.280 -3.864 10.669 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.709 -2.862 9.929 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.685 -2.602 7.761 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.520 -1.516 10.230 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.497 -1.269 8.062 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.915 -0.736 9.286 1.00 0.00 C ATOM 0 H TRP A 56 5.780 -7.747 9.149 1.00 0.00 H new ATOM 0 HA TRP A 56 4.277 -5.645 7.808 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.158 -6.605 7.723 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.548 -5.334 6.681 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.612 -5.985 10.288 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.673 -3.760 11.604 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.362 -3.002 6.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.840 -1.104 11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.018 -0.625 7.339 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.756 0.313 9.489 1.00 0.00 H new ATOM 524 N HIS A 57 3.732 -6.723 5.679 1.00 0.00 N ATOM 525 CA HIS A 57 3.353 -7.342 4.414 1.00 0.00 C ATOM 526 C HIS A 57 3.108 -6.284 3.353 1.00 0.00 C ATOM 527 O HIS A 57 2.581 -5.210 3.646 1.00 0.00 O ATOM 528 CB HIS A 57 2.104 -8.220 4.577 1.00 0.00 C ATOM 529 CG HIS A 57 2.388 -9.576 5.149 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.598 -10.689 4.364 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.502 -9.993 6.432 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.832 -11.734 5.136 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.781 -11.339 6.396 1.00 0.00 N ATOM 0 H HIS A 57 3.171 -5.910 5.934 1.00 0.00 H new ATOM 0 HA HIS A 57 4.180 -7.977 4.096 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.392 -7.706 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.626 -8.339 3.605 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.576 -10.703 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.394 -9.383 7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.031 -12.740 4.796 1.00 0.00 H new ATOM 541 N MET A 58 3.495 -6.593 2.124 1.00 0.00 N ATOM 542 CA MET A 58 3.339 -5.663 1.015 1.00 0.00 C ATOM 543 C MET A 58 1.909 -5.696 0.493 1.00 0.00 C ATOM 544 O MET A 58 1.340 -6.768 0.279 1.00 0.00 O ATOM 545 CB MET A 58 4.323 -5.998 -0.107 1.00 0.00 C ATOM 546 CG MET A 58 4.257 -5.035 -1.280 1.00 0.00 C ATOM 547 SD MET A 58 5.488 -5.393 -2.547 1.00 0.00 S ATOM 548 CE MET A 58 5.066 -7.078 -2.975 1.00 0.00 C ATOM 0 H MET A 58 3.921 -7.484 1.869 1.00 0.00 H new ATOM 0 HA MET A 58 3.555 -4.657 1.375 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.336 -5.997 0.297 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.123 -7.008 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.262 -5.078 -1.724 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.401 -4.017 -0.917 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.047 -7.184 -4.060 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.809 -7.757 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.084 -7.321 -2.570 1.00 0.00 H new ATOM 558 N VAL A 59 1.334 -4.521 0.288 1.00 0.00 N ATOM 559 CA VAL A 59 -0.045 -4.417 -0.157 1.00 0.00 C ATOM 560 C VAL A 59 -0.130 -4.521 -1.673 1.00 0.00 C ATOM 561 O VAL A 59 0.632 -3.873 -2.394 1.00 0.00 O ATOM 562 CB VAL A 59 -0.691 -3.088 0.300 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.144 -3.003 -0.146 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.595 -2.935 1.808 1.00 0.00 C ATOM 0 H VAL A 59 1.803 -3.625 0.423 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.592 -5.244 0.296 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.141 -2.272 -0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.573 -2.059 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.195 -3.059 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.706 -3.830 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.055 -1.994 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.114 -3.763 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.453 -2.938 2.108 1.00 0.00 H new ATOM 574 N CYS A 60 -1.042 -5.353 -2.146 1.00 0.00 N ATOM 575 CA CYS A 60 -1.288 -5.485 -3.570 1.00 0.00 C ATOM 576 C CYS A 60 -2.294 -4.422 -3.996 1.00 0.00 C ATOM 577 O CYS A 60 -3.313 -4.226 -3.328 1.00 0.00 O ATOM 578 CB CYS A 60 -1.823 -6.887 -3.881 1.00 0.00 C ATOM 579 SG CYS A 60 -1.644 -7.398 -5.621 1.00 0.00 S ATOM 0 H CYS A 60 -1.627 -5.950 -1.561 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.359 -5.345 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.304 -7.608 -3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.878 -6.927 -3.611 1.00 0.00 H new ATOM 584 N SER A 61 -2.018 -3.740 -5.102 1.00 0.00 N ATOM 585 CA SER A 61 -2.864 -2.642 -5.558 1.00 0.00 C ATOM 586 C SER A 61 -4.128 -3.153 -6.257 1.00 0.00 C ATOM 587 O SER A 61 -4.769 -2.431 -7.013 1.00 0.00 O ATOM 588 CB SER A 61 -2.066 -1.708 -6.476 1.00 0.00 C ATOM 589 OG SER A 61 -1.310 -2.436 -7.428 1.00 0.00 O ATOM 0 H SER A 61 -1.214 -3.928 -5.701 1.00 0.00 H new ATOM 0 HA SER A 61 -3.188 -2.080 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.749 -1.033 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.399 -1.090 -5.876 1.00 0.00 H new ATOM 0 HG SER A 61 -1.475 -2.073 -8.323 1.00 0.00 H new ATOM 595 N GLN A 62 -4.481 -4.400 -5.979 1.00 0.00 N ATOM 596 CA GLN A 62 -5.714 -4.991 -6.479 1.00 0.00 C ATOM 597 C GLN A 62 -6.670 -5.200 -5.304 1.00 0.00 C ATOM 598 O GLN A 62 -7.450 -6.151 -5.259 1.00 0.00 O ATOM 599 CB GLN A 62 -5.400 -6.318 -7.185 1.00 0.00 C ATOM 600 CG GLN A 62 -6.581 -6.932 -7.927 1.00 0.00 C ATOM 601 CD GLN A 62 -7.116 -6.046 -9.040 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.246 -5.255 -9.651 1.00 0.00 O flip ATOM 603 NE2 GLN A 62 -8.306 -6.081 -9.354 1.00 0.00 N flip ATOM 0 H GLN A 62 -3.922 -5.029 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.188 -4.329 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.587 -6.155 -7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.040 -7.033 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.278 -7.891 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.382 -7.135 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.946 -6.703 -8.860 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.652 -5.488 -10.108 1.00 0.00 H new ATOM 612 N SER A 63 -6.588 -4.293 -4.346 1.00 0.00 N ATOM 613 CA SER A 63 -7.362 -4.399 -3.127 1.00 0.00 C ATOM 614 C SER A 63 -8.475 -3.355 -3.090 1.00 0.00 C ATOM 615 O SER A 63 -8.385 -2.320 -3.758 1.00 0.00 O ATOM 616 CB SER A 63 -6.444 -4.221 -1.914 1.00 0.00 C ATOM 617 OG SER A 63 -5.451 -5.235 -1.871 1.00 0.00 O ATOM 0 H SER A 63 -5.988 -3.470 -4.392 1.00 0.00 H new ATOM 0 HA SER A 63 -7.820 -5.388 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.967 -3.242 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.036 -4.248 -0.999 1.00 0.00 H new ATOM 0 HG SER A 63 -4.662 -4.942 -2.373 1.00 0.00 H new ATOM 623 N TRP A 64 -9.505 -3.646 -2.297 1.00 0.00 N ATOM 624 CA TRP A 64 -10.633 -2.741 -2.068 1.00 0.00 C ATOM 625 C TRP A 64 -11.376 -2.422 -3.365 1.00 0.00 C ATOM 626 O TRP A 64 -12.311 -3.125 -3.748 1.00 0.00 O ATOM 627 CB TRP A 64 -10.160 -1.444 -1.396 1.00 0.00 C ATOM 628 CG TRP A 64 -9.320 -1.670 -0.177 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.735 -2.153 1.027 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.917 -1.413 -0.043 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.679 -2.210 1.903 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.552 -1.762 1.270 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.936 -0.920 -0.905 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.247 -1.639 1.737 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.640 -0.798 -0.441 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.306 -1.155 0.869 1.00 0.00 C ATOM 0 H TRP A 64 -9.582 -4.527 -1.789 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.328 -3.252 -1.402 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.589 -0.859 -2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.031 -0.849 -1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.748 -2.448 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.727 -2.534 2.869 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.186 -0.639 -1.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.986 -1.915 2.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.873 -0.421 -1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.285 -1.047 1.203 1.00 0.00 H new ATOM 647 N GLY A 65 -10.942 -1.371 -4.039 1.00 0.00 N ATOM 648 CA GLY A 65 -11.557 -0.980 -5.290 1.00 0.00 C ATOM 649 C GLY A 65 -10.555 -0.361 -6.240 1.00 0.00 C ATOM 650 O GLY A 65 -10.874 0.572 -6.974 1.00 0.00 O ATOM 0 H GLY A 65 -10.169 -0.777 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.012 -1.852 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.359 -0.269 -5.094 1.00 0.00 H new ATOM 654 N ARG A 66 -9.333 -0.877 -6.223 1.00 0.00 N ATOM 655 CA ARG A 66 -8.276 -0.358 -7.076 1.00 0.00 C ATOM 656 C ARG A 66 -8.024 -1.289 -8.251 1.00 0.00 C ATOM 657 O ARG A 66 -7.729 -2.472 -8.079 1.00 0.00 O ATOM 658 CB ARG A 66 -6.985 -0.151 -6.277 1.00 0.00 C ATOM 659 CG ARG A 66 -6.994 1.100 -5.409 1.00 0.00 C ATOM 660 CD ARG A 66 -6.783 2.365 -6.235 1.00 0.00 C ATOM 661 NE ARG A 66 -6.890 3.574 -5.420 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.352 4.744 -5.758 1.00 0.00 C ATOM 663 NH1 ARG A 66 -5.633 4.854 -6.866 1.00 0.00 N ATOM 664 NH2 ARG A 66 -6.532 5.809 -4.993 1.00 0.00 N ATOM 0 H ARG A 66 -9.051 -1.655 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.602 0.607 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.818 -1.021 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.145 -0.096 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.944 1.167 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.211 1.024 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.801 2.331 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.520 2.402 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.406 3.518 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.490 4.040 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.223 5.753 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.085 5.736 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.117 6.703 -5.257 1.00 0.00 H new ATOM 677 N SER A 67 -8.181 -0.746 -9.443 1.00 0.00 N ATOM 678 CA SER A 67 -7.884 -1.467 -10.666 1.00 0.00 C ATOM 679 C SER A 67 -6.425 -1.249 -11.049 1.00 0.00 C ATOM 680 O SER A 67 -5.711 -0.488 -10.395 1.00 0.00 O ATOM 681 CB SER A 67 -8.803 -0.980 -11.784 1.00 0.00 C ATOM 682 OG SER A 67 -10.159 -1.022 -11.376 1.00 0.00 O ATOM 0 H SER A 67 -8.517 0.206 -9.591 1.00 0.00 H new ATOM 0 HA SER A 67 -8.051 -2.533 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.534 0.039 -12.064 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.666 -1.600 -12.670 1.00 0.00 H new ATOM 0 HG SER A 67 -10.730 -0.704 -12.106 1.00 0.00 H new ATOM 688 N SER A 68 -5.987 -1.908 -12.113 1.00 0.00 N ATOM 689 CA SER A 68 -4.614 -1.786 -12.578 1.00 0.00 C ATOM 690 C SER A 68 -4.416 -0.470 -13.335 1.00 0.00 C ATOM 691 O SER A 68 -4.097 -0.461 -14.524 1.00 0.00 O ATOM 692 CB SER A 68 -4.274 -2.979 -13.469 1.00 0.00 C ATOM 693 OG SER A 68 -4.700 -4.191 -12.862 1.00 0.00 O ATOM 0 H SER A 68 -6.566 -2.535 -12.672 1.00 0.00 H new ATOM 0 HA SER A 68 -3.943 -1.780 -11.719 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.755 -2.863 -14.440 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.199 -3.013 -13.647 1.00 0.00 H new ATOM 0 HG SER A 68 -4.476 -4.946 -13.446 1.00 0.00 H new ATOM 699 N LYS A 69 -4.624 0.634 -12.627 1.00 0.00 N ATOM 700 CA LYS A 69 -4.509 1.971 -13.189 1.00 0.00 C ATOM 701 C LYS A 69 -4.428 2.981 -12.046 1.00 0.00 C ATOM 702 O LYS A 69 -4.880 2.696 -10.939 1.00 0.00 O ATOM 703 CB LYS A 69 -5.725 2.267 -14.075 1.00 0.00 C ATOM 704 CG LYS A 69 -5.648 3.589 -14.825 1.00 0.00 C ATOM 705 CD LYS A 69 -4.484 3.613 -15.803 1.00 0.00 C ATOM 706 CE LYS A 69 -4.428 4.925 -16.571 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.205 6.092 -15.674 1.00 0.00 N ATOM 0 H LYS A 69 -4.879 0.624 -11.639 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.609 2.042 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.838 1.459 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.621 2.267 -13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.580 3.756 -15.364 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.541 4.406 -14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.549 3.467 -15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.579 2.784 -16.504 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.627 4.878 -17.309 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.360 5.063 -17.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.972 6.929 -16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.068 6.277 -15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.419 5.886 -15.025 1.00 0.00 H new ATOM 720 N GLN A 70 -3.833 4.137 -12.300 1.00 0.00 N ATOM 721 CA GLN A 70 -3.763 5.186 -11.293 1.00 0.00 C ATOM 722 C GLN A 70 -5.065 5.983 -11.273 1.00 0.00 C ATOM 723 O GLN A 70 -5.363 6.723 -12.211 1.00 0.00 O ATOM 724 CB GLN A 70 -2.578 6.120 -11.554 1.00 0.00 C ATOM 725 CG GLN A 70 -2.523 7.303 -10.598 1.00 0.00 C ATOM 726 CD GLN A 70 -1.366 8.240 -10.879 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.305 7.820 -11.337 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.573 9.519 -10.620 1.00 0.00 N ATOM 0 H GLN A 70 -3.394 4.372 -13.190 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.618 4.715 -10.321 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.651 5.552 -11.472 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.635 6.491 -12.577 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.458 7.860 -10.664 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.443 6.933 -9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.469 9.824 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.837 10.201 -10.800 1.00 0.00 H new ATOM 737 N TRP A 71 -5.836 5.823 -10.205 1.00 0.00 N ATOM 738 CA TRP A 71 -7.115 6.510 -10.074 1.00 0.00 C ATOM 739 C TRP A 71 -6.900 7.968 -9.694 1.00 0.00 C ATOM 740 O TRP A 71 -5.841 8.338 -9.180 1.00 0.00 O ATOM 741 CB TRP A 71 -7.998 5.807 -9.039 1.00 0.00 C ATOM 742 CG TRP A 71 -8.548 4.494 -9.515 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.845 3.435 -10.020 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.922 4.097 -9.521 1.00 0.00 C ATOM 745 NE1 TRP A 71 -8.700 2.414 -10.351 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.980 2.793 -10.049 1.00 0.00 C ATOM 747 CE3 TRP A 71 -11.110 4.718 -9.133 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.179 2.103 -10.197 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.301 4.030 -9.280 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.326 2.735 -9.807 1.00 0.00 C ATOM 0 H TRP A 71 -5.598 5.223 -9.416 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.624 6.478 -11.037 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.418 5.641 -8.131 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.826 6.464 -8.773 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.772 3.406 -10.141 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -8.426 1.519 -10.756 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.100 5.718 -8.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.202 1.104 -10.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -13.227 4.501 -8.983 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.272 2.224 -9.908 1.00 0.00 H new ATOM 761 N GLU A 72 -7.908 8.796 -9.938 1.00 0.00 N ATOM 762 CA GLU A 72 -7.780 10.232 -9.742 1.00 0.00 C ATOM 763 C GLU A 72 -8.096 10.628 -8.299 1.00 0.00 C ATOM 764 O GLU A 72 -8.954 11.476 -8.045 1.00 0.00 O ATOM 765 CB GLU A 72 -8.689 10.985 -10.719 1.00 0.00 C ATOM 766 CG GLU A 72 -8.379 12.470 -10.811 1.00 0.00 C ATOM 767 CD GLU A 72 -6.954 12.738 -11.240 1.00 0.00 C ATOM 768 OE1 GLU A 72 -6.030 12.541 -10.420 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.747 13.150 -12.395 1.00 0.00 O ATOM 0 H GLU A 72 -8.824 8.496 -10.272 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.745 10.508 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.593 10.540 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.727 10.857 -10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.063 12.937 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.557 12.936 -9.842 1.00 0.00 H new ATOM 776 N ASP A 73 -7.411 9.982 -7.362 1.00 0.00 N ATOM 777 CA ASP A 73 -7.466 10.364 -5.952 1.00 0.00 C ATOM 778 C ASP A 73 -6.490 9.521 -5.139 1.00 0.00 C ATOM 779 O ASP A 73 -6.878 8.546 -4.494 1.00 0.00 O ATOM 780 CB ASP A 73 -8.878 10.217 -5.376 1.00 0.00 C ATOM 781 CG ASP A 73 -9.007 10.894 -4.024 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.806 12.125 -3.956 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.297 10.199 -3.028 1.00 0.00 O ATOM 0 H ASP A 73 -6.805 9.184 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.184 11.415 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.600 10.648 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.123 9.159 -5.278 1.00 0.00 H new ATOM 788 N PRO A 74 -5.195 9.862 -5.184 1.00 0.00 N ATOM 789 CA PRO A 74 -4.173 9.167 -4.419 1.00 0.00 C ATOM 790 C PRO A 74 -3.950 9.802 -3.049 1.00 0.00 C ATOM 791 O PRO A 74 -3.196 9.285 -2.226 1.00 0.00 O ATOM 792 CB PRO A 74 -2.941 9.330 -5.301 1.00 0.00 C ATOM 793 CG PRO A 74 -3.126 10.640 -5.992 1.00 0.00 C ATOM 794 CD PRO A 74 -4.610 10.941 -6.000 1.00 0.00 C ATOM 0 HA PRO A 74 -4.433 8.131 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.027 9.324 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.860 8.514 -6.019 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.577 11.427 -5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.738 10.596 -7.010 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.821 11.922 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.013 10.939 -7.013 1.00 0.00 H new ATOM 802 N SER A 75 -4.644 10.911 -2.808 1.00 0.00 N ATOM 803 CA SER A 75 -4.468 11.705 -1.599 1.00 0.00 C ATOM 804 C SER A 75 -4.881 10.946 -0.339 1.00 0.00 C ATOM 805 O SER A 75 -4.569 11.366 0.773 1.00 0.00 O ATOM 806 CB SER A 75 -5.268 13.000 -1.726 1.00 0.00 C ATOM 807 OG SER A 75 -4.912 13.692 -2.912 1.00 0.00 O ATOM 0 H SER A 75 -5.345 11.284 -3.448 1.00 0.00 H new ATOM 0 HA SER A 75 -3.406 11.930 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.335 12.776 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.084 13.634 -0.859 1.00 0.00 H new ATOM 0 HG SER A 75 -5.435 14.518 -2.978 1.00 0.00 H new ATOM 813 N GLN A 76 -5.558 9.819 -0.516 1.00 0.00 N ATOM 814 CA GLN A 76 -6.007 9.008 0.610 1.00 0.00 C ATOM 815 C GLN A 76 -4.826 8.465 1.414 1.00 0.00 C ATOM 816 O GLN A 76 -4.977 8.094 2.575 1.00 0.00 O ATOM 817 CB GLN A 76 -6.870 7.849 0.113 1.00 0.00 C ATOM 818 CG GLN A 76 -8.129 8.303 -0.605 1.00 0.00 C ATOM 819 CD GLN A 76 -9.059 9.102 0.287 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.127 8.881 1.501 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.766 10.050 -0.303 1.00 0.00 N ATOM 0 H GLN A 76 -5.809 9.444 -1.431 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.599 9.648 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.280 7.228 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.149 7.223 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.851 8.909 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.659 7.430 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.680 10.199 -1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.398 10.632 0.247 1.00 0.00 H new ATOM 830 N ALA A 77 -3.651 8.437 0.799 1.00 0.00 N ATOM 831 CA ALA A 77 -2.465 7.903 1.455 1.00 0.00 C ATOM 832 C ALA A 77 -1.594 9.021 2.018 1.00 0.00 C ATOM 833 O ALA A 77 -0.413 8.816 2.300 1.00 0.00 O ATOM 834 CB ALA A 77 -1.668 7.045 0.485 1.00 0.00 C ATOM 0 H ALA A 77 -3.494 8.777 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.791 7.282 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.784 6.652 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.287 6.217 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.361 7.650 -0.368 1.00 0.00 H new ATOM 840 N SER A 78 -2.189 10.195 2.194 1.00 0.00 N ATOM 841 CA SER A 78 -1.474 11.354 2.719 1.00 0.00 C ATOM 842 C SER A 78 -0.824 11.046 4.068 1.00 0.00 C ATOM 843 O SER A 78 0.349 11.350 4.288 1.00 0.00 O ATOM 844 CB SER A 78 -2.435 12.536 2.851 1.00 0.00 C ATOM 845 OG SER A 78 -3.617 12.150 3.535 1.00 0.00 O ATOM 0 H SER A 78 -3.171 10.371 1.980 1.00 0.00 H new ATOM 0 HA SER A 78 -0.678 11.610 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.947 13.349 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.690 12.916 1.862 1.00 0.00 H new ATOM 0 HG SER A 78 -4.260 11.780 2.894 1.00 0.00 H new ATOM 851 N LYS A 79 -1.588 10.422 4.958 1.00 0.00 N ATOM 852 CA LYS A 79 -1.100 10.082 6.290 1.00 0.00 C ATOM 853 C LYS A 79 0.044 9.069 6.220 1.00 0.00 C ATOM 854 O LYS A 79 0.946 9.080 7.060 1.00 0.00 O ATOM 855 CB LYS A 79 -2.244 9.545 7.154 1.00 0.00 C ATOM 856 CG LYS A 79 -1.818 9.147 8.555 1.00 0.00 C ATOM 857 CD LYS A 79 -3.014 8.782 9.416 1.00 0.00 C ATOM 858 CE LYS A 79 -2.585 8.130 10.721 1.00 0.00 C ATOM 859 NZ LYS A 79 -1.863 6.850 10.487 1.00 0.00 N ATOM 0 H LYS A 79 -2.552 10.140 4.780 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.711 10.991 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.022 10.305 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.686 8.680 6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.134 8.300 8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.272 9.969 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.596 9.678 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.665 8.103 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.942 8.814 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.462 7.945 11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.026 6.208 11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.213 6.409 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.844 7.038 10.396 1.00 0.00 H new ATOM 872 N VAL A 80 0.014 8.204 5.212 1.00 0.00 N ATOM 873 CA VAL A 80 1.086 7.235 5.015 1.00 0.00 C ATOM 874 C VAL A 80 2.381 7.964 4.683 1.00 0.00 C ATOM 875 O VAL A 80 3.425 7.717 5.293 1.00 0.00 O ATOM 876 CB VAL A 80 0.762 6.225 3.890 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.962 5.332 3.609 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.451 5.382 4.257 1.00 0.00 C ATOM 0 H VAL A 80 -0.736 8.154 4.523 1.00 0.00 H new ATOM 0 HA VAL A 80 1.194 6.674 5.943 1.00 0.00 H new ATOM 0 HB VAL A 80 0.530 6.787 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.714 4.628 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.808 5.946 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.225 4.781 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.662 4.678 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.247 4.832 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.314 6.031 4.406 1.00 0.00 H new ATOM 888 N CYS A 81 2.300 8.885 3.734 1.00 0.00 N ATOM 889 CA CYS A 81 3.449 9.690 3.358 1.00 0.00 C ATOM 890 C CYS A 81 3.906 10.537 4.544 1.00 0.00 C ATOM 891 O CYS A 81 5.099 10.720 4.764 1.00 0.00 O ATOM 892 CB CYS A 81 3.105 10.592 2.169 1.00 0.00 C ATOM 893 SG CYS A 81 2.331 9.719 0.768 1.00 0.00 S ATOM 0 H CYS A 81 1.449 9.092 3.211 1.00 0.00 H new ATOM 0 HA CYS A 81 4.260 9.023 3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.432 11.380 2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.016 11.078 1.821 1.00 0.00 H new ATOM 898 N GLN A 82 2.944 11.034 5.316 1.00 0.00 N ATOM 899 CA GLN A 82 3.240 11.849 6.489 1.00 0.00 C ATOM 900 C GLN A 82 4.009 11.040 7.532 1.00 0.00 C ATOM 901 O GLN A 82 4.945 11.543 8.155 1.00 0.00 O ATOM 902 CB GLN A 82 1.948 12.395 7.094 1.00 0.00 C ATOM 903 CG GLN A 82 2.173 13.380 8.228 1.00 0.00 C ATOM 904 CD GLN A 82 2.950 14.605 7.786 1.00 0.00 C ATOM 905 OE1 GLN A 82 4.181 14.630 7.841 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.238 15.627 7.348 1.00 0.00 N ATOM 0 H GLN A 82 1.949 10.885 5.149 1.00 0.00 H new ATOM 0 HA GLN A 82 3.864 12.685 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.368 12.883 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.349 11.562 7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.209 13.691 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.712 12.883 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.220 15.564 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.706 16.479 7.039 1.00 0.00 H new ATOM 915 N ARG A 83 3.613 9.784 7.715 1.00 0.00 N ATOM 916 CA ARG A 83 4.312 8.880 8.624 1.00 0.00 C ATOM 917 C ARG A 83 5.760 8.683 8.190 1.00 0.00 C ATOM 918 O ARG A 83 6.656 8.536 9.021 1.00 0.00 O ATOM 919 CB ARG A 83 3.600 7.527 8.693 1.00 0.00 C ATOM 920 CG ARG A 83 2.798 7.311 9.969 1.00 0.00 C ATOM 921 CD ARG A 83 3.693 6.962 11.155 1.00 0.00 C ATOM 922 NE ARG A 83 4.594 8.052 11.531 1.00 0.00 N ATOM 923 CZ ARG A 83 5.734 7.874 12.195 1.00 0.00 C ATOM 924 NH1 ARG A 83 6.127 6.654 12.539 1.00 0.00 N ATOM 925 NH2 ARG A 83 6.485 8.913 12.514 1.00 0.00 N ATOM 0 H ARG A 83 2.809 9.368 7.245 1.00 0.00 H new ATOM 0 HA ARG A 83 4.305 9.333 9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.932 7.436 7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.342 6.733 8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.230 8.213 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.076 6.510 9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.069 6.702 12.010 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.283 6.078 10.911 1.00 0.00 H new ATOM 0 HE ARG A 83 4.334 9.003 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.555 5.846 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.002 6.524 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.192 9.854 12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.358 8.774 13.023 1.00 0.00 H new ATOM 938 N LEU A 84 5.986 8.698 6.885 1.00 0.00 N ATOM 939 CA LEU A 84 7.325 8.533 6.333 1.00 0.00 C ATOM 940 C LEU A 84 8.042 9.876 6.229 1.00 0.00 C ATOM 941 O LEU A 84 9.144 9.966 5.681 1.00 0.00 O ATOM 942 CB LEU A 84 7.237 7.864 4.966 1.00 0.00 C ATOM 943 CG LEU A 84 6.588 6.479 4.980 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.374 5.977 3.568 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.441 5.498 5.772 1.00 0.00 C ATOM 0 H LEU A 84 5.256 8.823 6.184 1.00 0.00 H new ATOM 0 HA LEU A 84 7.904 7.899 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.671 8.510 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.242 7.777 4.553 1.00 0.00 H new ATOM 0 HG LEU A 84 5.616 6.560 5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.911 4.990 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.722 6.667 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.334 5.912 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.964 4.518 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.427 5.422 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.543 5.851 6.798 1.00 0.00 H new ATOM 957 N ASN A 85 7.402 10.910 6.776 1.00 0.00 N ATOM 958 CA ASN A 85 7.942 12.270 6.794 1.00 0.00 C ATOM 959 C ASN A 85 8.075 12.817 5.374 1.00 0.00 C ATOM 960 O ASN A 85 9.081 13.423 5.007 1.00 0.00 O ATOM 961 CB ASN A 85 9.287 12.315 7.523 1.00 0.00 C ATOM 962 CG ASN A 85 9.617 13.698 8.047 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.242 14.507 7.368 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.198 13.975 9.272 1.00 0.00 N ATOM 0 H ASN A 85 6.488 10.827 7.222 1.00 0.00 H new ATOM 0 HA ASN A 85 7.243 12.904 7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.270 11.610 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.075 11.989 6.844 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.392 14.888 9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.681 13.275 9.805 1.00 0.00 H new ATOM 971 N CYS A 86 7.048 12.589 4.579 1.00 0.00 N ATOM 972 CA CYS A 86 7.006 13.082 3.214 1.00 0.00 C ATOM 973 C CYS A 86 5.842 14.057 3.049 1.00 0.00 C ATOM 974 O CYS A 86 5.156 14.380 4.023 1.00 0.00 O ATOM 975 CB CYS A 86 6.877 11.905 2.239 1.00 0.00 C ATOM 976 SG CYS A 86 8.215 10.675 2.386 1.00 0.00 S ATOM 0 H CYS A 86 6.222 12.059 4.858 1.00 0.00 H new ATOM 0 HA CYS A 86 7.932 13.613 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.921 11.409 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.861 12.290 1.219 1.00 0.00 H new ATOM 981 N GLY A 87 5.632 14.538 1.834 1.00 0.00 N ATOM 982 CA GLY A 87 4.543 15.455 1.568 1.00 0.00 C ATOM 983 C GLY A 87 3.324 14.750 1.015 1.00 0.00 C ATOM 984 O GLY A 87 3.093 13.575 1.306 1.00 0.00 O ATOM 0 H GLY A 87 6.202 14.307 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.274 15.974 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.874 16.214 0.859 1.00 0.00 H new ATOM 988 N ASP A 88 2.551 15.466 0.211 1.00 0.00 N ATOM 989 CA ASP A 88 1.337 14.916 -0.393 1.00 0.00 C ATOM 990 C ASP A 88 1.659 13.786 -1.369 1.00 0.00 C ATOM 991 O ASP A 88 2.722 13.769 -1.996 1.00 0.00 O ATOM 992 CB ASP A 88 0.546 16.009 -1.123 1.00 0.00 C ATOM 993 CG ASP A 88 -0.281 16.867 -0.186 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.254 17.855 0.360 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.479 16.567 -0.006 1.00 0.00 O ATOM 0 H ASP A 88 2.741 16.436 -0.042 1.00 0.00 H new ATOM 0 HA ASP A 88 0.731 14.513 0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.239 16.645 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.112 15.545 -1.858 1.00 0.00 H new ATOM 1000 N PRO A 89 0.739 12.818 -1.492 1.00 0.00 N ATOM 1001 CA PRO A 89 0.895 11.684 -2.395 1.00 0.00 C ATOM 1002 C PRO A 89 0.544 12.031 -3.841 1.00 0.00 C ATOM 1003 O PRO A 89 -0.562 12.483 -4.140 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.080 10.652 -1.832 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.137 11.440 -1.140 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.525 12.759 -0.742 1.00 0.00 C ATOM 0 HA PRO A 89 1.927 11.336 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.505 10.039 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.421 9.975 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.992 11.596 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.502 10.906 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.178 13.593 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.352 12.808 0.333 1.00 0.00 H new ATOM 1014 N LEU A 90 1.499 11.806 -4.730 1.00 0.00 N ATOM 1015 CA LEU A 90 1.342 12.122 -6.143 1.00 0.00 C ATOM 1016 C LEU A 90 0.689 10.967 -6.890 1.00 0.00 C ATOM 1017 O LEU A 90 -0.241 11.160 -7.673 1.00 0.00 O ATOM 1018 CB LEU A 90 2.712 12.414 -6.768 1.00 0.00 C ATOM 1019 CG LEU A 90 3.474 13.602 -6.177 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.860 13.709 -6.797 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.700 14.892 -6.388 1.00 0.00 C ATOM 0 H LEU A 90 2.404 11.400 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 90 0.702 13.001 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.333 11.523 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.574 12.590 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 90 3.585 13.438 -5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.387 14.559 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.420 12.795 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.767 13.849 -7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.258 15.725 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.557 15.060 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.729 14.818 -5.899 1.00 0.00 H new ATOM 1033 N SER A 91 1.186 9.765 -6.644 1.00 0.00 N ATOM 1034 CA SER A 91 0.723 8.592 -7.365 1.00 0.00 C ATOM 1035 C SER A 91 0.455 7.434 -6.410 1.00 0.00 C ATOM 1036 O SER A 91 1.172 7.250 -5.426 1.00 0.00 O ATOM 1037 CB SER A 91 1.761 8.176 -8.408 1.00 0.00 C ATOM 1038 OG SER A 91 2.120 9.273 -9.232 1.00 0.00 O ATOM 0 H SER A 91 1.910 9.577 -5.950 1.00 0.00 H new ATOM 0 HA SER A 91 -0.211 8.847 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.648 7.786 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.361 7.370 -9.023 1.00 0.00 H new ATOM 0 HG SER A 91 2.786 8.984 -9.890 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.584 6.669 -6.712 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.961 5.511 -5.911 1.00 0.00 C ATOM 1046 C LEU A 92 -1.617 4.481 -6.826 1.00 0.00 C ATOM 1047 O LEU A 92 -2.795 4.611 -7.170 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.934 5.939 -4.794 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.093 4.976 -3.603 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.923 5.627 -2.505 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -2.751 3.670 -4.026 1.00 0.00 C ATOM 0 H LEU A 92 -1.189 6.832 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.078 5.074 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.605 6.904 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.917 6.092 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.095 4.753 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.027 4.935 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.427 6.536 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.910 5.877 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.847 3.014 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.739 3.877 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.138 3.183 -4.784 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.857 3.478 -7.237 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.392 2.481 -8.145 1.00 0.00 C ATOM 1065 C GLY A 93 -0.456 1.307 -8.355 1.00 0.00 C ATOM 1066 O GLY A 93 0.360 0.999 -7.487 1.00 0.00 O ATOM 0 H GLY A 93 0.115 3.335 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.342 2.116 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.601 2.949 -9.107 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.552 0.634 -9.509 1.00 0.00 N ATOM 1071 CA PRO A 94 0.269 -0.538 -9.816 1.00 0.00 C ATOM 1072 C PRO A 94 1.691 -0.169 -10.248 1.00 0.00 C ATOM 1073 O PRO A 94 1.995 -0.098 -11.442 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.491 -1.196 -10.969 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.172 -0.069 -11.665 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.484 0.959 -10.608 1.00 0.00 C ATOM 0 HA PRO A 94 0.405 -1.182 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.187 -1.724 -11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.211 -1.928 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.531 0.353 -12.440 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.083 -0.410 -12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.327 1.972 -10.978 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.522 0.895 -10.283 1.00 0.00 H new ATOM 1084 N PHE A 95 2.559 0.055 -9.274 1.00 0.00 N ATOM 1085 CA PHE A 95 3.946 0.399 -9.548 1.00 0.00 C ATOM 1086 C PHE A 95 4.866 -0.726 -9.095 1.00 0.00 C ATOM 1087 O PHE A 95 4.674 -1.290 -8.013 1.00 0.00 O ATOM 1088 CB PHE A 95 4.324 1.714 -8.858 1.00 0.00 C ATOM 1089 CG PHE A 95 3.686 2.930 -9.478 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.313 3.604 -10.513 1.00 0.00 C ATOM 1091 CD2 PHE A 95 2.461 3.400 -9.025 1.00 0.00 C ATOM 1092 CE1 PHE A 95 3.734 4.722 -11.082 1.00 0.00 C ATOM 1093 CE2 PHE A 95 1.877 4.516 -9.591 1.00 0.00 C ATOM 1094 CZ PHE A 95 2.515 5.178 -10.622 1.00 0.00 C ATOM 0 H PHE A 95 2.326 0.004 -8.282 1.00 0.00 H new ATOM 0 HA PHE A 95 4.063 0.534 -10.623 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.036 1.659 -7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.408 1.830 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.266 3.251 -10.880 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.958 2.886 -8.219 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.235 5.239 -11.887 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.923 4.871 -9.228 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.061 6.051 -11.067 1.00 0.00 H new ATOM 1104 N LEU A 96 5.852 -1.050 -9.937 1.00 0.00 N ATOM 1105 CA LEU A 96 6.785 -2.156 -9.696 1.00 0.00 C ATOM 1106 C LEU A 96 6.065 -3.506 -9.764 1.00 0.00 C ATOM 1107 O LEU A 96 4.832 -3.572 -9.793 1.00 0.00 O ATOM 1108 CB LEU A 96 7.506 -1.996 -8.349 1.00 0.00 C ATOM 1109 CG LEU A 96 8.329 -0.708 -8.189 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.969 -0.647 -6.808 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.395 -0.601 -9.274 1.00 0.00 C ATOM 0 H LEU A 96 6.027 -0.550 -10.809 1.00 0.00 H new ATOM 0 HA LEU A 96 7.537 -2.128 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.763 -2.033 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.168 -2.850 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 96 7.650 0.138 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.547 0.272 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.191 -0.665 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.628 -1.505 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.963 0.319 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.068 -1.456 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.917 -0.590 -10.254 1.00 0.00 H new ATOM 1123 N LYS A 97 6.839 -4.584 -9.816 1.00 0.00 N ATOM 1124 CA LYS A 97 6.277 -5.926 -9.928 1.00 0.00 C ATOM 1125 C LYS A 97 7.083 -6.916 -9.099 1.00 0.00 C ATOM 1126 O LYS A 97 8.303 -6.998 -9.235 1.00 0.00 O ATOM 1127 CB LYS A 97 6.262 -6.389 -11.393 1.00 0.00 C ATOM 1128 CG LYS A 97 5.428 -5.515 -12.323 1.00 0.00 C ATOM 1129 CD LYS A 97 5.409 -6.067 -13.741 1.00 0.00 C ATOM 1130 CE LYS A 97 4.573 -5.198 -14.669 1.00 0.00 C ATOM 1131 NZ LYS A 97 5.184 -3.859 -14.887 1.00 0.00 N ATOM 0 H LYS A 97 7.858 -4.555 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 97 5.254 -5.890 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.287 -6.416 -11.763 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.881 -7.409 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.408 -5.449 -11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.832 -4.503 -12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.429 -6.130 -14.121 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.009 -7.081 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.455 -5.702 -15.628 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.575 -5.076 -14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.656 -3.353 -15.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.149 -3.313 -14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.174 -3.973 -15.185 1.00 0.00 H new ATOM 1144 N THR A 98 6.399 -7.652 -8.236 1.00 0.00 N ATOM 1145 CA THR A 98 7.040 -8.705 -7.462 1.00 0.00 C ATOM 1146 C THR A 98 6.292 -10.026 -7.641 1.00 0.00 C ATOM 1147 O THR A 98 6.901 -11.086 -7.788 1.00 0.00 O ATOM 1148 CB THR A 98 7.113 -8.346 -5.961 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.727 -7.060 -5.786 1.00 0.00 O ATOM 1150 CG2 THR A 98 7.906 -9.387 -5.184 1.00 0.00 C ATOM 0 H THR A 98 5.402 -7.540 -8.054 1.00 0.00 H new ATOM 0 HA THR A 98 8.059 -8.811 -7.835 1.00 0.00 H new ATOM 0 HB THR A 98 6.093 -8.323 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.766 -6.843 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.940 -9.107 -4.131 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.426 -10.360 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.921 -9.440 -5.578 1.00 0.00 H new ATOM 1158 N TYR A 99 4.956 -9.933 -7.637 1.00 0.00 N ATOM 1159 CA TYR A 99 4.063 -11.069 -7.921 1.00 0.00 C ATOM 1160 C TYR A 99 4.202 -12.218 -6.926 1.00 0.00 C ATOM 1161 O TYR A 99 3.715 -13.315 -7.186 1.00 0.00 O ATOM 1162 CB TYR A 99 4.285 -11.594 -9.343 1.00 0.00 C ATOM 1163 CG TYR A 99 3.700 -10.707 -10.418 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.389 -10.879 -10.847 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.452 -9.696 -11.003 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.846 -10.069 -11.824 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.914 -8.882 -11.981 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.612 -9.073 -12.389 1.00 0.00 C ATOM 1169 OH TYR A 99 2.072 -8.261 -13.359 1.00 0.00 O ATOM 0 H TYR A 99 4.460 -9.065 -7.436 1.00 0.00 H new ATOM 0 HA TYR A 99 3.050 -10.679 -7.821 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.355 -11.703 -9.517 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.846 -12.588 -9.426 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.785 -11.660 -10.408 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.474 -9.544 -10.688 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.825 -10.215 -12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.512 -8.099 -12.424 1.00 0.00 H new ATOM 0 HH TYR A 99 2.744 -7.610 -13.652 1.00 0.00 H new ATOM 1179 N THR A 100 4.847 -11.973 -5.795 1.00 0.00 N ATOM 1180 CA THR A 100 5.006 -13.001 -4.780 1.00 0.00 C ATOM 1181 C THR A 100 3.812 -13.013 -3.825 1.00 0.00 C ATOM 1182 O THR A 100 3.652 -12.108 -3.003 1.00 0.00 O ATOM 1183 CB THR A 100 6.306 -12.788 -3.979 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.398 -12.590 -4.883 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.598 -13.983 -3.083 1.00 0.00 C ATOM 0 H THR A 100 5.267 -11.074 -5.558 1.00 0.00 H new ATOM 0 HA THR A 100 5.060 -13.962 -5.291 1.00 0.00 H new ATOM 0 HB THR A 100 6.181 -11.908 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.224 -12.453 -4.373 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.520 -13.806 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.775 -14.122 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.708 -14.878 -3.695 1.00 0.00 H new ATOM 1193 N PRO A 101 2.963 -14.049 -3.913 1.00 0.00 N ATOM 1194 CA PRO A 101 1.739 -14.148 -3.110 1.00 0.00 C ATOM 1195 C PRO A 101 2.022 -14.527 -1.659 1.00 0.00 C ATOM 1196 O PRO A 101 1.126 -14.528 -0.816 1.00 0.00 O ATOM 1197 CB PRO A 101 0.954 -15.253 -3.815 1.00 0.00 C ATOM 1198 CG PRO A 101 1.997 -16.126 -4.419 1.00 0.00 C ATOM 1199 CD PRO A 101 3.129 -15.214 -4.807 1.00 0.00 C ATOM 0 HA PRO A 101 1.208 -13.198 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.331 -15.807 -3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.290 -14.844 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.331 -16.882 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.607 -16.655 -5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.097 -15.694 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.069 -14.925 -5.856 1.00 0.00 H new ATOM 1207 N GLN A 102 3.279 -14.839 -1.378 1.00 0.00 N ATOM 1208 CA GLN A 102 3.696 -15.194 -0.028 1.00 0.00 C ATOM 1209 C GLN A 102 3.989 -13.934 0.778 1.00 0.00 C ATOM 1210 O GLN A 102 3.957 -13.942 2.008 1.00 0.00 O ATOM 1211 CB GLN A 102 4.936 -16.093 -0.067 1.00 0.00 C ATOM 1212 CG GLN A 102 4.697 -17.444 -0.727 1.00 0.00 C ATOM 1213 CD GLN A 102 5.941 -18.309 -0.754 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.203 -19.066 0.180 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.709 -18.216 -1.828 1.00 0.00 N ATOM 0 H GLN A 102 4.030 -14.854 -2.068 1.00 0.00 H new ATOM 0 HA GLN A 102 2.885 -15.742 0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.732 -15.574 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.288 -16.254 0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.905 -17.970 -0.193 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.345 -17.289 -1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.457 -17.576 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.553 -18.784 -1.902 1.00 0.00 H new ATOM 1224 N SER A 103 4.267 -12.851 0.070 1.00 0.00 N ATOM 1225 CA SER A 103 4.605 -11.590 0.705 1.00 0.00 C ATOM 1226 C SER A 103 3.476 -10.578 0.539 1.00 0.00 C ATOM 1227 O SER A 103 3.185 -9.798 1.452 1.00 0.00 O ATOM 1228 CB SER A 103 5.898 -11.042 0.100 1.00 0.00 C ATOM 1229 OG SER A 103 6.894 -12.050 0.042 1.00 0.00 O ATOM 0 H SER A 103 4.265 -12.822 -0.950 1.00 0.00 H new ATOM 0 HA SER A 103 4.749 -11.764 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.702 -10.660 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.257 -10.204 0.697 1.00 0.00 H new ATOM 0 HG SER A 103 7.712 -11.679 -0.350 1.00 0.00 H new ATOM 1235 N SER A 104 2.830 -10.613 -0.621 1.00 0.00 N ATOM 1236 CA SER A 104 1.797 -9.646 -0.957 1.00 0.00 C ATOM 1237 C SER A 104 0.445 -10.065 -0.384 1.00 0.00 C ATOM 1238 O SER A 104 0.173 -11.255 -0.212 1.00 0.00 O ATOM 1239 CB SER A 104 1.698 -9.508 -2.477 1.00 0.00 C ATOM 1240 OG SER A 104 2.987 -9.427 -3.064 1.00 0.00 O ATOM 0 H SER A 104 3.007 -11.307 -1.348 1.00 0.00 H new ATOM 0 HA SER A 104 2.068 -8.686 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.160 -10.361 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.123 -8.617 -2.728 1.00 0.00 H new ATOM 0 HG SER A 104 3.379 -10.324 -3.118 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.389 -9.082 -0.085 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.728 -9.342 0.424 1.00 0.00 C ATOM 1248 C ILE A 105 -2.771 -8.555 -0.359 1.00 0.00 C ATOM 1249 O ILE A 105 -2.505 -7.449 -0.839 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.866 -8.980 1.923 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.457 -7.519 2.153 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.043 -9.928 2.788 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.699 -7.018 3.559 1.00 0.00 C ATOM 0 H ILE A 105 -0.162 -8.093 -0.186 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.896 -10.412 0.304 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.910 -9.092 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.398 -7.409 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.006 -6.886 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.156 -9.654 3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.392 -10.950 2.641 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.008 -9.859 2.506 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.382 -5.978 3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.761 -7.092 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.129 -7.623 4.264 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.952 -9.132 -0.485 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.088 -8.449 -1.077 1.00 0.00 C ATOM 1267 C ILE A 106 -6.127 -8.209 0.008 1.00 0.00 C ATOM 1268 O ILE A 106 -6.518 -9.132 0.718 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.707 -9.253 -2.250 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.823 -9.127 -3.493 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.129 -8.789 -2.552 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.351 -9.868 -4.705 1.00 0.00 C ATOM 0 H ILE A 106 -4.151 -10.085 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.746 -7.501 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.759 -10.301 -1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.716 -8.072 -3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.827 -9.501 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.534 -9.372 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.753 -8.929 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.117 -7.734 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.668 -9.729 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.432 -10.930 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.334 -9.478 -4.970 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.550 -6.971 0.158 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.459 -6.626 1.235 1.00 0.00 C ATOM 1286 C CYS A 107 -8.823 -6.231 0.684 1.00 0.00 C ATOM 1287 O CYS A 107 -8.928 -5.693 -0.421 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.869 -5.500 2.083 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.504 -5.464 3.788 1.00 0.00 S ATOM 0 H CYS A 107 -6.283 -6.193 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.594 -7.502 1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.785 -5.607 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.084 -4.545 1.604 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.866 -6.517 1.451 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.230 -6.251 1.020 1.00 0.00 C ATOM 1296 C TYR A 108 -11.813 -5.082 1.805 1.00 0.00 C ATOM 1297 O TYR A 108 -11.279 -4.701 2.849 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.114 -7.484 1.236 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.497 -8.790 0.780 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.463 -9.139 -0.564 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.953 -9.676 1.700 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.904 -10.336 -0.975 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.394 -10.872 1.298 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.372 -11.198 -0.039 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.821 -12.396 -0.438 1.00 0.00 O ATOM 0 H TYR A 108 -9.792 -6.935 2.379 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.206 -6.005 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.354 -7.561 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.055 -7.337 0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.879 -8.466 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.968 -9.425 2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.884 -10.594 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.976 -11.549 2.029 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.945 -12.510 -0.014 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.906 -4.519 1.311 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.589 -3.472 2.045 1.00 0.00 C ATOM 1317 C GLY A 109 -13.302 -2.084 1.515 1.00 0.00 C ATOM 1318 O GLY A 109 -13.074 -1.897 0.319 1.00 0.00 O ATOM 0 H GLY A 109 -13.332 -4.767 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.663 -3.653 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.294 -3.521 3.093 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.315 -1.113 2.417 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.135 0.288 2.062 1.00 0.00 C ATOM 1324 C GLN A 110 -11.657 0.628 1.923 1.00 0.00 C ATOM 1325 O GLN A 110 -10.825 0.136 2.686 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.773 1.196 3.122 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.297 1.130 3.182 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.829 -0.176 3.745 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.196 -0.809 4.596 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.997 -0.586 3.275 1.00 0.00 N ATOM 0 H GLN A 110 -13.451 -1.274 3.415 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.625 0.455 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.372 0.928 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.475 2.226 2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.664 1.955 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.698 1.273 2.179 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.487 -0.032 2.572 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.407 -1.455 3.616 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.347 1.480 0.948 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.977 1.896 0.679 1.00 0.00 C ATOM 1341 C LEU A 111 -9.361 2.545 1.915 1.00 0.00 C ATOM 1342 O LEU A 111 -9.696 3.675 2.272 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.953 2.870 -0.507 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.587 3.476 -0.858 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.602 2.400 -1.285 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.740 4.516 -1.957 1.00 0.00 C ATOM 0 H LEU A 111 -12.038 1.899 0.325 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.385 1.016 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.333 2.349 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.645 3.685 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.192 3.959 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.644 2.859 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.467 1.687 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.988 1.881 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.764 4.938 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.161 4.046 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.405 5.310 -1.617 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.473 1.808 2.567 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.842 2.293 3.776 1.00 0.00 C ATOM 1360 C GLY A 112 -8.025 1.340 4.938 1.00 0.00 C ATOM 1361 O GLY A 112 -7.304 1.418 5.935 1.00 0.00 O ATOM 0 H GLY A 112 -8.177 0.876 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.778 2.441 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.259 3.266 4.037 1.00 0.00 H new ATOM 1365 N SER A 113 -8.988 0.437 4.809 1.00 0.00 N ATOM 1366 CA SER A 113 -9.274 -0.530 5.853 1.00 0.00 C ATOM 1367 C SER A 113 -8.468 -1.808 5.640 1.00 0.00 C ATOM 1368 O SER A 113 -8.560 -2.448 4.594 1.00 0.00 O ATOM 1369 CB SER A 113 -10.772 -0.845 5.888 1.00 0.00 C ATOM 1370 OG SER A 113 -11.085 -1.767 6.920 1.00 0.00 O ATOM 0 H SER A 113 -9.585 0.356 3.986 1.00 0.00 H new ATOM 0 HA SER A 113 -8.984 -0.098 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.335 0.076 6.038 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.081 -1.255 4.926 1.00 0.00 H new ATOM 0 HG SER A 113 -12.048 -1.946 6.917 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.690 -2.174 6.642 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.853 -3.363 6.584 1.00 0.00 C ATOM 1378 C PHE A 114 -7.327 -4.390 7.605 1.00 0.00 C ATOM 1379 O PHE A 114 -6.551 -5.218 8.083 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.389 -3.002 6.860 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.737 -2.188 5.777 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.817 -0.806 5.784 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.036 -2.809 4.756 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.212 -0.058 4.794 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.428 -2.066 3.764 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.517 -0.689 3.781 1.00 0.00 C ATOM 0 H PHE A 114 -7.619 -1.658 7.519 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.930 -3.789 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.334 -2.448 7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.820 -3.921 6.999 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.359 -0.307 6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.964 -3.886 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.282 1.020 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.883 -2.562 2.975 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.044 -0.106 3.004 1.00 0.00 H new ATOM 1396 N SER A 115 -8.608 -4.328 7.936 1.00 0.00 N ATOM 1397 CA SER A 115 -9.170 -5.199 8.958 1.00 0.00 C ATOM 1398 C SER A 115 -9.563 -6.556 8.378 1.00 0.00 C ATOM 1399 O SER A 115 -9.818 -7.506 9.120 1.00 0.00 O ATOM 1400 CB SER A 115 -10.381 -4.531 9.614 1.00 0.00 C ATOM 1401 OG SER A 115 -10.023 -3.287 10.195 1.00 0.00 O ATOM 0 H SER A 115 -9.277 -3.685 7.513 1.00 0.00 H new ATOM 0 HA SER A 115 -8.403 -5.368 9.714 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.163 -4.377 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.793 -5.189 10.379 1.00 0.00 H new ATOM 0 HG SER A 115 -10.813 -2.879 10.606 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.621 -6.646 7.057 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.971 -7.893 6.393 1.00 0.00 C ATOM 1409 C ASN A 116 -9.106 -8.089 5.151 1.00 0.00 C ATOM 1410 O ASN A 116 -9.557 -7.884 4.022 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.456 -7.893 6.015 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.993 -9.284 5.729 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.947 -9.765 4.602 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.519 -9.937 6.754 1.00 0.00 N ATOM 0 H ASN A 116 -9.430 -5.870 6.424 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.787 -8.720 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.032 -7.446 6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.602 -7.265 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.903 -10.872 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -12.540 -9.505 7.678 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.853 -8.457 5.366 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.927 -8.689 4.266 1.00 0.00 C ATOM 1423 C CYS A 117 -6.559 -10.169 4.204 1.00 0.00 C ATOM 1424 O CYS A 117 -6.574 -10.857 5.226 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.657 -7.845 4.437 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.939 -6.104 4.918 1.00 0.00 S ATOM 0 H CYS A 117 -7.452 -8.602 6.293 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.414 -8.396 3.336 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.026 -8.316 5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.100 -7.861 3.500 1.00 0.00 H new ATOM 1431 N SER A 118 -6.237 -10.660 3.019 1.00 0.00 N ATOM 1432 CA SER A 118 -5.887 -12.060 2.842 1.00 0.00 C ATOM 1433 C SER A 118 -4.664 -12.199 1.940 1.00 0.00 C ATOM 1434 O SER A 118 -4.255 -11.245 1.276 1.00 0.00 O ATOM 1435 CB SER A 118 -7.072 -12.804 2.228 1.00 0.00 C ATOM 1436 OG SER A 118 -7.457 -12.206 1.004 1.00 0.00 O ATOM 0 H SER A 118 -6.211 -10.108 2.162 1.00 0.00 H new ATOM 0 HA SER A 118 -5.647 -12.490 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.806 -13.848 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.912 -12.797 2.922 1.00 0.00 H new ATOM 0 HG SER A 118 -7.012 -11.338 0.910 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.070 -13.382 1.936 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.974 -13.681 1.026 1.00 0.00 C ATOM 1444 C HIS A 119 -3.527 -14.060 -0.339 1.00 0.00 C ATOM 1445 O HIS A 119 -4.521 -14.778 -0.435 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.099 -14.807 1.578 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.206 -14.370 2.697 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.594 -14.381 4.020 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.062 -13.895 2.683 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.608 -13.929 4.771 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.409 -13.627 3.985 1.00 0.00 N ATOM 0 H HIS A 119 -4.328 -14.152 2.553 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.353 -12.791 0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.739 -15.616 1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.487 -15.211 0.771 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.503 -14.691 4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.684 -13.753 1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.629 -13.824 5.846 1.00 0.00 H new ATOM 1459 N SER A 120 -2.885 -13.565 -1.384 1.00 0.00 N ATOM 1460 CA SER A 120 -3.356 -13.771 -2.743 1.00 0.00 C ATOM 1461 C SER A 120 -3.251 -15.241 -3.162 1.00 0.00 C ATOM 1462 O SER A 120 -2.167 -15.732 -3.469 1.00 0.00 O ATOM 1463 CB SER A 120 -2.542 -12.895 -3.694 1.00 0.00 C ATOM 1464 OG SER A 120 -2.455 -11.566 -3.204 1.00 0.00 O ATOM 0 H SER A 120 -2.030 -13.014 -1.316 1.00 0.00 H new ATOM 0 HA SER A 120 -4.409 -13.493 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.541 -13.310 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.005 -12.894 -4.681 1.00 0.00 H new ATOM 0 HG SER A 120 -1.929 -11.022 -3.826 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.382 -15.942 -3.169 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.431 -17.319 -3.654 1.00 0.00 C ATOM 1472 C ARG A 121 -4.679 -17.342 -5.162 1.00 0.00 C ATOM 1473 O ARG A 121 -5.345 -18.234 -5.690 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.523 -18.110 -2.923 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.041 -18.848 -1.677 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.340 -17.924 -0.692 1.00 0.00 C ATOM 1477 NE ARG A 121 -3.908 -18.630 0.515 1.00 0.00 N ATOM 1478 CZ ARG A 121 -2.666 -19.065 0.713 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -1.765 -18.964 -0.252 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -2.322 -19.622 1.861 1.00 0.00 N ATOM 0 H ARG A 121 -5.278 -15.579 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.469 -17.790 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.322 -17.425 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.955 -18.833 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.892 -19.321 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.359 -19.646 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.475 -17.470 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.013 -17.112 -0.415 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.599 -18.798 1.247 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.022 -18.552 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.814 -19.298 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.011 -19.722 2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.367 -19.952 2.002 1.00 0.00 H new ATOM 1493 N ASN A 122 -4.136 -16.346 -5.845 1.00 0.00 N ATOM 1494 CA ASN A 122 -4.289 -16.207 -7.285 1.00 0.00 C ATOM 1495 C ASN A 122 -2.999 -15.658 -7.879 1.00 0.00 C ATOM 1496 O ASN A 122 -2.291 -14.889 -7.230 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.475 -15.288 -7.614 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.345 -13.908 -6.993 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.806 -12.965 -7.747 1.00 0.00 O flip ATOM 1500 ND2 ASN A 122 -5.742 -13.692 -5.849 1.00 0.00 N flip ATOM 0 H ASN A 122 -3.576 -15.610 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.493 -17.185 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.560 -15.187 -8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.396 -15.753 -7.263 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.152 -14.448 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.661 -12.757 -5.449 1.00 0.00 H new ATOM 1507 N ASP A 123 -2.699 -16.040 -9.111 1.00 0.00 N ATOM 1508 CA ASP A 123 -1.419 -15.699 -9.719 1.00 0.00 C ATOM 1509 C ASP A 123 -1.530 -14.421 -10.549 1.00 0.00 C ATOM 1510 O ASP A 123 -1.388 -14.425 -11.774 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.899 -16.864 -10.568 1.00 0.00 C ATOM 1512 CG ASP A 123 0.473 -16.598 -11.156 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.437 -16.430 -10.383 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.592 -16.553 -12.398 1.00 0.00 O ATOM 0 H ASP A 123 -3.321 -16.584 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.701 -15.514 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.858 -17.764 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.603 -17.061 -11.376 1.00 0.00 H new ATOM 1519 N MET A 124 -1.832 -13.331 -9.861 1.00 0.00 N ATOM 1520 CA MET A 124 -1.801 -11.999 -10.448 1.00 0.00 C ATOM 1521 C MET A 124 -1.807 -10.967 -9.329 1.00 0.00 C ATOM 1522 O MET A 124 -2.688 -10.977 -8.469 1.00 0.00 O ATOM 1523 CB MET A 124 -2.979 -11.757 -11.409 1.00 0.00 C ATOM 1524 CG MET A 124 -4.340 -11.675 -10.738 1.00 0.00 C ATOM 1525 SD MET A 124 -5.640 -11.154 -11.871 1.00 0.00 S ATOM 1526 CE MET A 124 -7.023 -11.017 -10.743 1.00 0.00 C ATOM 0 H MET A 124 -2.106 -13.344 -8.879 1.00 0.00 H new ATOM 0 HA MET A 124 -0.890 -11.907 -11.040 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.801 -10.830 -11.954 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.000 -12.560 -12.146 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.595 -12.649 -10.322 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.288 -10.975 -9.904 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.910 -10.702 -11.292 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.210 -11.984 -10.277 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.792 -10.281 -9.972 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.811 -10.099 -9.315 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.697 -9.110 -8.260 1.00 0.00 C ATOM 1538 C CYS A 125 0.293 -8.024 -8.637 1.00 0.00 C ATOM 1539 O CYS A 125 1.410 -8.302 -9.072 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.268 -9.772 -6.947 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.003 -8.596 -5.579 1.00 0.00 S ATOM 0 H CYS A 125 -0.074 -10.059 -10.019 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.677 -8.653 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.029 -10.494 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.653 -10.330 -7.117 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.135 -6.787 -8.484 1.00 0.00 N ATOM 1547 CA HIS A 126 0.732 -5.643 -8.689 1.00 0.00 C ATOM 1548 C HIS A 126 0.979 -4.979 -7.349 1.00 0.00 C ATOM 1549 O HIS A 126 0.042 -4.767 -6.581 1.00 0.00 O ATOM 1550 CB HIS A 126 0.097 -4.643 -9.660 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.023 -5.144 -11.068 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.839 -4.773 -12.078 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.924 -5.980 -11.635 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.474 -5.356 -13.205 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.594 -6.095 -12.963 1.00 0.00 N ATOM 0 H HIS A 126 -1.089 -6.546 -8.215 1.00 0.00 H new ATOM 0 HA HIS A 126 1.674 -5.978 -9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.895 -4.379 -9.294 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.690 -3.728 -9.661 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.749 -6.466 -11.136 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.965 -5.247 -14.161 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.093 -6.659 -13.651 1.00 0.00 H new ATOM 1563 N SER A 127 2.225 -4.672 -7.051 1.00 0.00 N ATOM 1564 CA SER A 127 2.550 -4.036 -5.791 1.00 0.00 C ATOM 1565 C SER A 127 1.993 -2.619 -5.759 1.00 0.00 C ATOM 1566 O SER A 127 1.999 -1.917 -6.775 1.00 0.00 O ATOM 1567 CB SER A 127 4.065 -4.033 -5.587 1.00 0.00 C ATOM 1568 OG SER A 127 4.743 -3.745 -6.799 1.00 0.00 O ATOM 0 H SER A 127 3.024 -4.851 -7.659 1.00 0.00 H new ATOM 0 HA SER A 127 2.093 -4.598 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.332 -3.293 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.386 -5.004 -5.209 1.00 0.00 H new ATOM 0 HG SER A 127 4.594 -2.808 -7.043 1.00 0.00 H new ATOM 1574 N LEU A 128 1.470 -2.220 -4.609 1.00 0.00 N ATOM 1575 CA LEU A 128 0.950 -0.876 -4.451 1.00 0.00 C ATOM 1576 C LEU A 128 2.110 0.110 -4.435 1.00 0.00 C ATOM 1577 O LEU A 128 2.841 0.214 -3.447 1.00 0.00 O ATOM 1578 CB LEU A 128 0.110 -0.764 -3.170 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.793 0.474 -3.072 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.926 0.219 -2.091 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.002 1.700 -2.644 1.00 0.00 C ATOM 0 H LEU A 128 1.396 -2.806 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 128 0.295 -0.640 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.514 -1.654 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.784 -0.768 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.211 0.667 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.560 1.104 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.519 -0.629 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -1.513 -0.000 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.663 2.562 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.452 1.519 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.787 1.898 -3.374 1.00 0.00 H new ATOM 1593 N GLY A 129 2.285 0.801 -5.547 1.00 0.00 N ATOM 1594 CA GLY A 129 3.352 1.762 -5.663 1.00 0.00 C ATOM 1595 C GLY A 129 2.892 3.137 -5.253 1.00 0.00 C ATOM 1596 O GLY A 129 2.033 3.734 -5.907 1.00 0.00 O ATOM 0 H GLY A 129 1.700 0.711 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.191 1.455 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.712 1.787 -6.691 1.00 0.00 H new ATOM 1600 N LEU A 130 3.438 3.629 -4.160 1.00 0.00 N ATOM 1601 CA LEU A 130 3.079 4.938 -3.661 1.00 0.00 C ATOM 1602 C LEU A 130 4.205 5.923 -3.946 1.00 0.00 C ATOM 1603 O LEU A 130 5.377 5.626 -3.707 1.00 0.00 O ATOM 1604 CB LEU A 130 2.788 4.866 -2.159 1.00 0.00 C ATOM 1605 CG LEU A 130 2.266 6.157 -1.523 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.936 6.566 -2.139 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.120 5.983 -0.022 1.00 0.00 C ATOM 0 H LEU A 130 4.135 3.139 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 130 2.178 5.283 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.057 4.076 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.703 4.572 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 130 2.989 6.949 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.586 7.486 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.066 6.730 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.203 5.776 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.748 6.909 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.417 5.176 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.090 5.740 0.412 1.00 0.00 H new ATOM 1619 N THR A 131 3.852 7.072 -4.493 1.00 0.00 N ATOM 1620 CA THR A 131 4.821 8.115 -4.780 1.00 0.00 C ATOM 1621 C THR A 131 4.404 9.416 -4.101 1.00 0.00 C ATOM 1622 O THR A 131 3.459 10.070 -4.528 1.00 0.00 O ATOM 1623 CB THR A 131 4.957 8.340 -6.300 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.229 7.091 -6.949 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.073 9.329 -6.610 1.00 0.00 C ATOM 0 H THR A 131 2.893 7.308 -4.749 1.00 0.00 H new ATOM 0 HA THR A 131 5.788 7.797 -4.391 1.00 0.00 H new ATOM 0 HB THR A 131 4.019 8.754 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.313 7.236 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.146 9.469 -7.689 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.854 10.285 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.018 8.942 -6.229 1.00 0.00 H new ATOM 1633 N CYS A 132 5.100 9.767 -3.036 1.00 0.00 N ATOM 1634 CA CYS A 132 4.792 10.968 -2.272 1.00 0.00 C ATOM 1635 C CYS A 132 5.829 12.049 -2.555 1.00 0.00 C ATOM 1636 O CYS A 132 6.957 11.746 -2.946 1.00 0.00 O ATOM 1637 CB CYS A 132 4.780 10.641 -0.776 1.00 0.00 C ATOM 1638 SG CYS A 132 3.899 9.101 -0.361 1.00 0.00 S ATOM 0 H CYS A 132 5.891 9.233 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 132 3.809 11.334 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.808 10.566 -0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.318 11.468 -0.237 1.00 0.00 H new ATOM 1643 N LEU A 133 5.440 13.308 -2.378 1.00 0.00 N ATOM 1644 CA LEU A 133 6.380 14.411 -2.499 1.00 0.00 C ATOM 1645 C LEU A 133 7.435 14.307 -1.410 1.00 0.00 C ATOM 1646 O LEU A 133 7.132 13.925 -0.281 1.00 0.00 O ATOM 1647 CB LEU A 133 5.653 15.757 -2.405 1.00 0.00 C ATOM 1648 CG LEU A 133 4.899 16.187 -3.663 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.035 17.400 -3.371 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.876 16.501 -4.785 1.00 0.00 C ATOM 0 H LEU A 133 4.485 13.586 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 133 6.863 14.353 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.946 15.711 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.383 16.528 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 133 4.256 15.365 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.504 17.695 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.314 17.154 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.665 18.224 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.324 16.806 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.539 17.309 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.467 15.614 -5.012 1.00 0.00 H new ATOM 1662 N GLU A 134 8.666 14.629 -1.754 1.00 0.00 N ATOM 1663 CA GLU A 134 9.765 14.558 -0.808 1.00 0.00 C ATOM 1664 C GLU A 134 9.824 15.840 0.015 1.00 0.00 C ATOM 1665 O GLU A 134 10.272 16.874 -0.520 1.00 0.00 O ATOM 1666 CB GLU A 134 11.083 14.322 -1.553 1.00 0.00 C ATOM 1667 CG GLU A 134 11.093 13.032 -2.361 1.00 0.00 C ATOM 1668 CD GLU A 134 12.316 12.897 -3.243 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.316 13.467 -4.357 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.276 12.210 -2.839 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.394 15.817 1.185 1.00 0.00 O ATOM 0 H GLU A 134 8.933 14.944 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 134 9.604 13.721 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.271 15.163 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.901 14.298 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.047 12.182 -1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.198 12.991 -2.982 1.00 0.00 H new