USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=32 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 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 115 SER OG : rot -56:sc= 0.751 USER MOD Set 2.1: A 68 SER OG : rot -7:sc= 1.98 USER MOD Set 2.2: A 126 HIS : no HE2:sc= -0.0149 K(o=2,f=-4.7!) USER MOD Set 3.1: A 58 MET CE :methyl 150:sc= -0.206 (180deg=-1.2) USER MOD Set 3.2: A 98 THR OG1 : rot 80:sc= 0.863 USER MOD Set 3.3: A 104 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 127 SER OG : rot -50:sc= 1.78 USER MOD Set 4.1: A 38 THR OG1 : rot 152:sc= 0.395 USER MOD Set 4.2: A 40 SER OG : rot -67:sc= 0.665 USER MOD Set 4.3: A 41 ASN : amide:sc= 0.304 K(o=0.67,f=-0.64) USER MOD Set 4.4: A 47 GLN : amide:sc= -0.695 K(o=0.67,f=-0.38) USER MOD Single : A 27 SER OG : rot 29:sc= 1.16 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 161:sc= 0.723 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= 1.14 (180deg=0.718) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.0138 (180deg=-0.15) USER MOD Single : A 57 HIS : no HE2:sc= -1.33! C(o=-1.3!,f=-4.9!) USER MOD Single : A 61 SER OG : rot 72:sc= 0.152 USER MOD Single : A 62 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.33) USER MOD Single : A 63 SER OG : rot 84:sc= 0.929 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 69 LYS NZ :NH3+ 139:sc= 0.968 (180deg=-0.214) USER MOD Single : A 70 GLN : amide:sc= -0.797 K(o=-0.8,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.251 K(o=-0.25,f=-0.75) USER MOD Single : A 78 SER OG : rot -98:sc= 1.29 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.57) USER MOD Single : A 91 SER OG : rot 180:sc= -0.363 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 54:sc= 1.19 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.7!) USER MOD Single : A 116 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -2.4! K(o=-2.4!,f=-0.97) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.184 K(o=-0.18,f=-9.2!) USER MOD Single : A 124 MET CE :methyl 170:sc= 0 (180deg=-0.132) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -6.901 -1.370 11.676 1.00 0.00 N ATOM 24 CA LEU A 26 -5.719 -1.211 10.847 1.00 0.00 C ATOM 25 C LEU A 26 -6.005 -0.292 9.665 1.00 0.00 C ATOM 26 O LEU A 26 -5.971 -0.713 8.516 1.00 0.00 O ATOM 27 CB LEU A 26 -5.227 -2.571 10.338 1.00 0.00 C ATOM 28 CG LEU A 26 -4.828 -3.576 11.421 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.474 -4.912 10.789 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.658 -3.053 12.237 1.00 0.00 C ATOM 0 HA LEU A 26 -4.940 -0.760 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.012 -3.016 9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.369 -2.406 9.686 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.676 -3.715 12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.192 -5.620 11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.336 -5.297 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.640 -4.779 10.100 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.392 -3.784 13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.803 -2.885 11.582 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.938 -2.114 12.715 1.00 0.00 H new ATOM 42 N SER A 27 -6.300 0.961 9.945 1.00 0.00 N ATOM 43 CA SER A 27 -6.472 1.942 8.888 1.00 0.00 C ATOM 44 C SER A 27 -5.392 3.005 9.007 1.00 0.00 C ATOM 45 O SER A 27 -4.871 3.242 10.097 1.00 0.00 O ATOM 46 CB SER A 27 -7.878 2.556 8.935 1.00 0.00 C ATOM 47 OG SER A 27 -8.300 2.822 10.264 1.00 0.00 O ATOM 0 H SER A 27 -6.426 1.325 10.890 1.00 0.00 H new ATOM 0 HA SER A 27 -6.371 1.452 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.888 3.482 8.360 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.586 1.877 8.459 1.00 0.00 H new ATOM 0 HG SER A 27 -7.517 2.998 10.827 1.00 0.00 H new ATOM 53 N TRP A 28 -5.052 3.643 7.889 1.00 0.00 N ATOM 54 CA TRP A 28 -3.932 4.582 7.857 1.00 0.00 C ATOM 55 C TRP A 28 -4.263 5.917 8.534 1.00 0.00 C ATOM 56 O TRP A 28 -3.782 6.973 8.121 1.00 0.00 O ATOM 57 CB TRP A 28 -3.433 4.799 6.418 1.00 0.00 C ATOM 58 CG TRP A 28 -4.500 5.121 5.405 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.638 5.848 5.596 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.498 4.739 4.022 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.354 5.924 4.426 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.671 5.258 3.444 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.620 4.006 3.220 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.987 5.066 2.102 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.934 3.817 1.887 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.108 4.347 1.340 1.00 0.00 C ATOM 0 H TRP A 28 -5.533 3.528 6.997 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.126 4.129 8.435 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.704 5.610 6.423 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.908 3.900 6.094 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.934 6.299 6.532 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.249 6.399 4.308 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.712 3.594 3.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.894 5.470 1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.263 3.251 1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.324 4.185 0.294 1.00 0.00 H new ATOM 77 N TYR A 29 -5.082 5.852 9.572 1.00 0.00 N ATOM 78 CA TYR A 29 -5.370 7.000 10.413 1.00 0.00 C ATOM 79 C TYR A 29 -5.051 6.665 11.871 1.00 0.00 C ATOM 80 O TYR A 29 -4.938 7.557 12.715 1.00 0.00 O ATOM 81 CB TYR A 29 -6.839 7.414 10.285 1.00 0.00 C ATOM 82 CG TYR A 29 -7.266 7.753 8.874 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.818 8.910 8.246 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.119 6.915 8.168 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.208 9.219 6.957 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.513 7.218 6.879 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.054 8.370 6.278 1.00 0.00 C ATOM 88 OH TYR A 29 -8.445 8.674 4.994 1.00 0.00 O ATOM 0 H TYR A 29 -5.566 5.000 9.854 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.748 7.833 10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.467 6.605 10.658 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.019 8.278 10.925 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.154 9.578 8.775 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.481 6.011 8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.851 10.122 6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.178 6.555 6.345 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.041 7.972 4.658 1.00 0.00 H new ATOM 98 N ASP A 30 -4.888 5.370 12.152 1.00 0.00 N ATOM 99 CA ASP A 30 -4.673 4.893 13.516 1.00 0.00 C ATOM 100 C ASP A 30 -3.210 5.027 13.911 1.00 0.00 C ATOM 101 O ASP A 30 -2.313 4.789 13.100 1.00 0.00 O ATOM 102 CB ASP A 30 -5.086 3.421 13.658 1.00 0.00 C ATOM 103 CG ASP A 30 -6.518 3.158 13.241 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.441 3.663 13.915 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.729 2.452 12.235 1.00 0.00 O ATOM 0 H ASP A 30 -4.901 4.632 11.448 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.289 5.507 14.173 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.420 2.804 13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.954 3.112 14.695 1.00 0.00 H new ATOM 110 N PRO A 31 -2.948 5.401 15.174 1.00 0.00 N ATOM 111 CA PRO A 31 -1.589 5.506 15.713 1.00 0.00 C ATOM 112 C PRO A 31 -0.944 4.135 15.919 1.00 0.00 C ATOM 113 O PRO A 31 0.206 4.033 16.346 1.00 0.00 O ATOM 114 CB PRO A 31 -1.777 6.206 17.067 1.00 0.00 C ATOM 115 CG PRO A 31 -3.186 6.693 17.076 1.00 0.00 C ATOM 116 CD PRO A 31 -3.952 5.770 16.176 1.00 0.00 C ATOM 0 HA PRO A 31 -0.930 6.044 15.032 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.595 5.518 17.892 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.076 7.033 17.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.596 6.681 18.086 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.245 7.722 16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.329 4.899 16.713 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.813 6.264 15.725 1.00 0.00 H new ATOM 124 N ASP A 32 -1.709 3.088 15.641 1.00 0.00 N ATOM 125 CA ASP A 32 -1.216 1.716 15.741 1.00 0.00 C ATOM 126 C ASP A 32 -0.823 1.182 14.373 1.00 0.00 C ATOM 127 O ASP A 32 -0.197 0.123 14.261 1.00 0.00 O ATOM 128 CB ASP A 32 -2.281 0.800 16.354 1.00 0.00 C ATOM 129 CG ASP A 32 -2.534 1.098 17.813 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.208 2.104 18.110 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.063 0.320 18.674 1.00 0.00 O ATOM 0 H ASP A 32 -2.681 3.161 15.342 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.338 1.727 16.386 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.212 0.909 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.966 -0.238 16.248 1.00 0.00 H new ATOM 136 N PHE A 33 -1.183 1.919 13.333 1.00 0.00 N ATOM 137 CA PHE A 33 -0.932 1.481 11.973 1.00 0.00 C ATOM 138 C PHE A 33 0.490 1.824 11.555 1.00 0.00 C ATOM 139 O PHE A 33 0.818 2.985 11.306 1.00 0.00 O ATOM 140 CB PHE A 33 -1.935 2.123 11.015 1.00 0.00 C ATOM 141 CG PHE A 33 -1.861 1.580 9.615 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.394 0.335 9.314 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.268 2.315 8.599 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.338 -0.166 8.029 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.207 1.817 7.312 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.744 0.577 7.027 1.00 0.00 C ATOM 0 H PHE A 33 -1.650 2.823 13.407 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.052 0.398 11.932 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.943 1.972 11.402 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.762 3.199 10.988 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.858 -0.249 10.095 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.850 3.287 8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.757 -1.136 7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.740 2.397 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.700 0.188 6.020 1.00 0.00 H new ATOM 156 N GLN A 34 1.328 0.805 11.488 1.00 0.00 N ATOM 157 CA GLN A 34 2.711 0.974 11.075 1.00 0.00 C ATOM 158 C GLN A 34 2.863 0.609 9.604 1.00 0.00 C ATOM 159 O GLN A 34 2.398 -0.442 9.168 1.00 0.00 O ATOM 160 CB GLN A 34 3.632 0.112 11.943 1.00 0.00 C ATOM 161 CG GLN A 34 3.703 0.567 13.391 1.00 0.00 C ATOM 162 CD GLN A 34 4.579 -0.328 14.249 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.788 -0.127 14.333 1.00 0.00 O ATOM 164 NE2 GLN A 34 3.975 -1.307 14.909 1.00 0.00 N ATOM 0 H GLN A 34 1.073 -0.156 11.716 1.00 0.00 H new ATOM 0 HA GLN A 34 2.996 2.018 11.205 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.285 -0.921 11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.635 0.124 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.087 1.586 13.428 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.697 0.591 13.809 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.968 -1.442 14.813 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.517 -1.925 15.513 1.00 0.00 H new ATOM 173 N ALA A 35 3.500 1.483 8.841 1.00 0.00 N ATOM 174 CA ALA A 35 3.659 1.265 7.411 1.00 0.00 C ATOM 175 C ALA A 35 4.971 1.848 6.915 1.00 0.00 C ATOM 176 O ALA A 35 5.518 2.770 7.523 1.00 0.00 O ATOM 177 CB ALA A 35 2.490 1.875 6.653 1.00 0.00 C ATOM 0 H ALA A 35 3.915 2.348 9.187 1.00 0.00 H new ATOM 0 HA ALA A 35 3.675 0.190 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.621 1.705 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.561 1.411 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.450 2.947 6.848 1.00 0.00 H new ATOM 183 N ARG A 36 5.470 1.310 5.812 1.00 0.00 N ATOM 184 CA ARG A 36 6.704 1.783 5.220 1.00 0.00 C ATOM 185 C ARG A 36 6.640 1.650 3.707 1.00 0.00 C ATOM 186 O ARG A 36 5.818 0.905 3.169 1.00 0.00 O ATOM 187 CB ARG A 36 7.904 0.974 5.728 1.00 0.00 C ATOM 188 CG ARG A 36 7.940 -0.446 5.176 1.00 0.00 C ATOM 189 CD ARG A 36 9.313 -1.091 5.302 1.00 0.00 C ATOM 190 NE ARG A 36 9.644 -1.471 6.671 1.00 0.00 N ATOM 191 CZ ARG A 36 10.069 -2.687 7.002 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.143 -3.634 6.073 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.415 -2.974 8.247 1.00 0.00 N ATOM 0 H ARG A 36 5.032 0.539 5.308 1.00 0.00 H new ATOM 0 HA ARG A 36 6.828 2.828 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.825 1.488 5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.874 0.934 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.207 -1.055 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.645 -0.431 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.352 -1.976 4.666 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.068 -0.398 4.931 1.00 0.00 H new ATOM 0 HE ARG A 36 9.545 -0.773 7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.875 -3.427 5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.468 -4.568 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.358 -2.257 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.739 -3.912 8.483 1.00 0.00 H new ATOM 206 N LEU A 37 7.504 2.378 3.036 1.00 0.00 N ATOM 207 CA LEU A 37 7.722 2.188 1.619 1.00 0.00 C ATOM 208 C LEU A 37 9.078 1.534 1.422 1.00 0.00 C ATOM 209 O LEU A 37 10.063 1.944 2.043 1.00 0.00 O ATOM 210 CB LEU A 37 7.663 3.526 0.881 1.00 0.00 C ATOM 211 CG LEU A 37 6.295 4.212 0.891 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.411 5.634 0.379 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.306 3.432 0.040 1.00 0.00 C ATOM 0 H LEU A 37 8.073 3.115 3.454 1.00 0.00 H new ATOM 0 HA LEU A 37 6.940 1.548 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.394 4.201 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.965 3.366 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 37 5.932 4.238 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.429 6.107 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.093 6.196 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.794 5.623 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.338 3.932 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.670 3.381 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.200 2.423 0.438 1.00 0.00 H new ATOM 225 N THR A 38 9.123 0.497 0.599 1.00 0.00 N ATOM 226 CA THR A 38 10.373 -0.191 0.317 1.00 0.00 C ATOM 227 C THR A 38 11.319 0.749 -0.417 1.00 0.00 C ATOM 228 O THR A 38 10.862 1.722 -1.016 1.00 0.00 O ATOM 229 CB THR A 38 10.138 -1.458 -0.526 1.00 0.00 C ATOM 230 OG1 THR A 38 9.470 -1.119 -1.747 1.00 0.00 O ATOM 231 CG2 THR A 38 9.305 -2.470 0.250 1.00 0.00 C ATOM 0 H THR A 38 8.310 0.114 0.116 1.00 0.00 H new ATOM 0 HA THR A 38 10.816 -0.495 1.265 1.00 0.00 H new ATOM 0 HB THR A 38 11.106 -1.903 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.709 -1.768 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.149 -3.359 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.828 -2.747 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.340 -2.030 0.503 1.00 0.00 H new ATOM 239 N ARG A 39 12.623 0.462 -0.372 1.00 0.00 N ATOM 240 CA ARG A 39 13.618 1.359 -0.961 1.00 0.00 C ATOM 241 C ARG A 39 13.246 1.676 -2.402 1.00 0.00 C ATOM 242 O ARG A 39 12.841 2.795 -2.698 1.00 0.00 O ATOM 243 CB ARG A 39 15.036 0.769 -0.906 1.00 0.00 C ATOM 244 CG ARG A 39 15.561 0.505 0.501 1.00 0.00 C ATOM 245 CD ARG A 39 15.051 -0.814 1.057 1.00 0.00 C ATOM 246 NE ARG A 39 15.550 -1.947 0.282 1.00 0.00 N ATOM 247 CZ ARG A 39 14.766 -2.829 -0.330 1.00 0.00 C ATOM 248 NH1 ARG A 39 13.448 -2.712 -0.240 1.00 0.00 N ATOM 249 NH2 ARG A 39 15.299 -3.819 -1.035 1.00 0.00 N ATOM 0 H ARG A 39 13.010 -0.376 0.062 1.00 0.00 H new ATOM 0 HA ARG A 39 13.620 2.275 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.048 -0.167 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.719 1.451 -1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.651 0.496 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.258 1.318 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.362 -0.917 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.961 -0.817 1.049 1.00 0.00 H new ATOM 0 HE ARG A 39 16.560 -2.069 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.039 -1.947 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.843 -3.387 -0.708 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.313 -3.905 -1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.695 -4.494 -1.503 1.00 0.00 H new ATOM 262 N SER A 40 13.377 0.678 -3.280 1.00 0.00 N ATOM 263 CA SER A 40 12.947 0.784 -4.677 1.00 0.00 C ATOM 264 C SER A 40 13.657 1.935 -5.397 1.00 0.00 C ATOM 265 O SER A 40 14.649 1.725 -6.099 1.00 0.00 O ATOM 266 CB SER A 40 11.425 0.971 -4.744 1.00 0.00 C ATOM 267 OG SER A 40 10.930 0.826 -6.066 1.00 0.00 O ATOM 0 H SER A 40 13.784 -0.226 -3.042 1.00 0.00 H new ATOM 0 HA SER A 40 13.218 -0.141 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.941 0.242 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.164 1.959 -4.365 1.00 0.00 H new ATOM 0 HG SER A 40 11.263 1.561 -6.622 1.00 0.00 H new ATOM 273 N ASN A 41 13.152 3.144 -5.203 1.00 0.00 N ATOM 274 CA ASN A 41 13.696 4.325 -5.844 1.00 0.00 C ATOM 275 C ASN A 41 13.991 5.405 -4.814 1.00 0.00 C ATOM 276 O ASN A 41 15.007 6.092 -4.901 1.00 0.00 O ATOM 277 CB ASN A 41 12.722 4.849 -6.898 1.00 0.00 C ATOM 278 CG ASN A 41 12.596 3.910 -8.082 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.796 2.973 -8.065 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.386 4.150 -9.117 1.00 0.00 N ATOM 0 H ASN A 41 12.354 3.331 -4.596 1.00 0.00 H new ATOM 0 HA ASN A 41 14.631 4.053 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.741 4.992 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.058 5.826 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.346 3.548 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.035 4.936 -9.092 1.00 0.00 H new ATOM 287 N SER A 42 13.111 5.542 -3.830 1.00 0.00 N ATOM 288 CA SER A 42 13.289 6.532 -2.782 1.00 0.00 C ATOM 289 C SER A 42 12.451 6.166 -1.558 1.00 0.00 C ATOM 290 O SER A 42 11.553 5.330 -1.648 1.00 0.00 O ATOM 291 CB SER A 42 12.903 7.916 -3.304 1.00 0.00 C ATOM 292 OG SER A 42 13.223 8.928 -2.369 1.00 0.00 O ATOM 0 H SER A 42 12.266 4.978 -3.738 1.00 0.00 H new ATOM 0 HA SER A 42 14.338 6.550 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.421 8.110 -4.243 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.834 7.941 -3.518 1.00 0.00 H new ATOM 0 HG SER A 42 13.255 9.795 -2.824 1.00 0.00 H new ATOM 298 N LYS A 43 12.737 6.799 -0.422 1.00 0.00 N ATOM 299 CA LYS A 43 12.045 6.482 0.829 1.00 0.00 C ATOM 300 C LYS A 43 10.547 6.775 0.729 1.00 0.00 C ATOM 301 O LYS A 43 9.733 6.093 1.346 1.00 0.00 O ATOM 302 CB LYS A 43 12.659 7.241 2.021 1.00 0.00 C ATOM 303 CG LYS A 43 12.442 8.752 2.014 1.00 0.00 C ATOM 304 CD LYS A 43 13.301 9.456 0.972 1.00 0.00 C ATOM 305 CE LYS A 43 13.114 10.965 1.020 1.00 0.00 C ATOM 306 NZ LYS A 43 11.698 11.354 0.796 1.00 0.00 N ATOM 0 H LYS A 43 13.441 7.533 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 43 12.173 5.414 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.242 6.835 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.731 7.045 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.391 8.965 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.670 9.154 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.350 9.213 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.044 9.088 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.445 11.341 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.743 11.433 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.647 12.371 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.312 10.813 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.143 11.151 1.652 1.00 0.00 H new ATOM 319 N CYS A 44 10.187 7.780 -0.060 1.00 0.00 N ATOM 320 CA CYS A 44 8.786 8.110 -0.277 1.00 0.00 C ATOM 321 C CYS A 44 8.385 7.779 -1.707 1.00 0.00 C ATOM 322 O CYS A 44 7.543 8.451 -2.304 1.00 0.00 O ATOM 323 CB CYS A 44 8.520 9.589 0.023 1.00 0.00 C ATOM 324 SG CYS A 44 8.636 10.025 1.791 1.00 0.00 S ATOM 0 H CYS A 44 10.845 8.379 -0.559 1.00 0.00 H new ATOM 0 HA CYS A 44 8.183 7.512 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.232 10.196 -0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.525 9.849 -0.339 1.00 0.00 H new ATOM 329 N GLN A 45 8.989 6.727 -2.244 1.00 0.00 N ATOM 330 CA GLN A 45 8.741 6.307 -3.613 1.00 0.00 C ATOM 331 C GLN A 45 9.075 4.825 -3.765 1.00 0.00 C ATOM 332 O GLN A 45 10.158 4.460 -4.236 1.00 0.00 O ATOM 333 CB GLN A 45 9.579 7.164 -4.574 1.00 0.00 C ATOM 334 CG GLN A 45 9.390 6.849 -6.051 1.00 0.00 C ATOM 335 CD GLN A 45 10.329 7.653 -6.936 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.446 7.985 -6.538 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.887 7.976 -8.139 1.00 0.00 N ATOM 0 H GLN A 45 9.661 6.145 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 45 7.688 6.447 -3.857 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.334 8.213 -4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.632 7.039 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.559 5.785 -6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.359 7.057 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.956 7.684 -8.436 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.477 8.517 -8.771 1.00 0.00 H new ATOM 346 N GLY A 46 8.146 3.977 -3.352 1.00 0.00 N ATOM 347 CA GLY A 46 8.383 2.547 -3.387 1.00 0.00 C ATOM 348 C GLY A 46 7.122 1.742 -3.167 1.00 0.00 C ATOM 349 O GLY A 46 6.012 2.256 -3.331 1.00 0.00 O ATOM 0 H GLY A 46 7.232 4.252 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.818 2.278 -4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.115 2.285 -2.623 1.00 0.00 H new ATOM 353 N GLN A 47 7.297 0.479 -2.799 1.00 0.00 N ATOM 354 CA GLN A 47 6.176 -0.418 -2.577 1.00 0.00 C ATOM 355 C GLN A 47 5.631 -0.224 -1.168 1.00 0.00 C ATOM 356 O GLN A 47 6.399 -0.047 -0.220 1.00 0.00 O ATOM 357 CB GLN A 47 6.595 -1.884 -2.762 1.00 0.00 C ATOM 358 CG GLN A 47 6.994 -2.278 -4.183 1.00 0.00 C ATOM 359 CD GLN A 47 8.332 -1.708 -4.627 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.383 -2.285 -4.349 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.304 -0.603 -5.357 1.00 0.00 N ATOM 0 H GLN A 47 8.211 0.053 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 47 5.404 -0.182 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.433 -2.091 -2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.771 -2.522 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.033 -3.365 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.220 -1.943 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.413 -0.153 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.173 -0.202 -5.709 1.00 0.00 H new ATOM 370 N LEU A 48 4.316 -0.254 -1.030 1.00 0.00 N ATOM 371 CA LEU A 48 3.688 -0.079 0.269 1.00 0.00 C ATOM 372 C LEU A 48 3.688 -1.389 1.045 1.00 0.00 C ATOM 373 O LEU A 48 3.030 -2.361 0.662 1.00 0.00 O ATOM 374 CB LEU A 48 2.255 0.448 0.117 1.00 0.00 C ATOM 375 CG LEU A 48 1.539 0.788 1.431 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.247 1.927 2.153 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.085 1.147 1.168 1.00 0.00 C ATOM 0 H LEU A 48 3.663 -0.398 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 48 4.267 0.657 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.278 1.342 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.666 -0.298 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 48 1.568 -0.093 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.722 2.151 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.273 1.634 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.254 2.812 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.407 1.385 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.038 2.011 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.419 0.302 0.699 1.00 0.00 H new ATOM 389 N GLU A 49 4.445 -1.406 2.126 1.00 0.00 N ATOM 390 CA GLU A 49 4.504 -2.556 3.001 1.00 0.00 C ATOM 391 C GLU A 49 3.956 -2.149 4.359 1.00 0.00 C ATOM 392 O GLU A 49 4.383 -1.144 4.931 1.00 0.00 O ATOM 393 CB GLU A 49 5.949 -3.058 3.119 1.00 0.00 C ATOM 394 CG GLU A 49 6.068 -4.499 3.587 1.00 0.00 C ATOM 395 CD GLU A 49 7.509 -4.927 3.780 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.122 -5.423 2.810 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.037 -4.774 4.898 1.00 0.00 O ATOM 0 H GLU A 49 5.033 -0.626 2.419 1.00 0.00 H new ATOM 0 HA GLU A 49 3.905 -3.372 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.437 -2.961 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.490 -2.416 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.527 -4.619 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.591 -5.155 2.859 1.00 0.00 H new ATOM 404 N VAL A 50 2.994 -2.904 4.861 1.00 0.00 N ATOM 405 CA VAL A 50 2.279 -2.506 6.066 1.00 0.00 C ATOM 406 C VAL A 50 2.397 -3.550 7.170 1.00 0.00 C ATOM 407 O VAL A 50 2.531 -4.744 6.905 1.00 0.00 O ATOM 408 CB VAL A 50 0.785 -2.228 5.772 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.632 -1.054 4.814 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.104 -3.463 5.203 1.00 0.00 C ATOM 0 H VAL A 50 2.690 -3.790 4.458 1.00 0.00 H new ATOM 0 HA VAL A 50 2.748 -1.585 6.412 1.00 0.00 H new ATOM 0 HB VAL A 50 0.302 -1.972 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.426 -0.877 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.074 -0.162 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.138 -1.282 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.945 -3.242 5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.595 -3.754 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.173 -4.280 5.921 1.00 0.00 H new ATOM 420 N TYR A 51 2.356 -3.078 8.407 1.00 0.00 N ATOM 421 CA TYR A 51 2.446 -3.945 9.573 1.00 0.00 C ATOM 422 C TYR A 51 1.047 -4.319 10.049 1.00 0.00 C ATOM 423 O TYR A 51 0.374 -3.534 10.720 1.00 0.00 O ATOM 424 CB TYR A 51 3.224 -3.242 10.693 1.00 0.00 C ATOM 425 CG TYR A 51 3.558 -4.128 11.875 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.735 -4.865 11.903 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.700 -4.222 12.964 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.048 -5.671 12.981 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.005 -5.026 14.044 1.00 0.00 C ATOM 430 CZ TYR A 51 4.179 -5.747 14.048 1.00 0.00 C ATOM 431 OH TYR A 51 4.487 -6.546 15.126 1.00 0.00 O ATOM 0 H TYR A 51 2.260 -2.087 8.631 1.00 0.00 H new ATOM 0 HA TYR A 51 2.979 -4.856 9.301 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.151 -2.843 10.280 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.640 -2.392 11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.417 -4.807 11.068 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.780 -3.657 12.966 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.967 -6.238 12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.326 -5.089 14.882 1.00 0.00 H new ATOM 0 HH TYR A 51 3.771 -6.486 15.792 1.00 0.00 H new ATOM 441 N LEU A 52 0.619 -5.513 9.685 1.00 0.00 N ATOM 442 CA LEU A 52 -0.705 -6.000 10.039 1.00 0.00 C ATOM 443 C LEU A 52 -0.639 -6.883 11.282 1.00 0.00 C ATOM 444 O LEU A 52 0.357 -6.869 12.009 1.00 0.00 O ATOM 445 CB LEU A 52 -1.308 -6.781 8.865 1.00 0.00 C ATOM 446 CG LEU A 52 -1.387 -6.014 7.547 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.884 -6.924 6.442 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.295 -4.801 7.676 1.00 0.00 C ATOM 0 H LEU A 52 1.174 -6.171 9.138 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.342 -5.144 10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.717 -7.683 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.312 -7.103 9.141 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.386 -5.664 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.936 -6.366 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.198 -7.763 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.875 -7.298 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.334 -4.273 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.298 -5.125 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.905 -4.134 8.445 1.00 0.00 H new ATOM 460 N LYS A 53 -1.701 -7.649 11.513 1.00 0.00 N ATOM 461 CA LYS A 53 -1.799 -8.523 12.677 1.00 0.00 C ATOM 462 C LYS A 53 -0.610 -9.479 12.760 1.00 0.00 C ATOM 463 O LYS A 53 -0.068 -9.715 13.838 1.00 0.00 O ATOM 464 CB LYS A 53 -3.110 -9.319 12.619 1.00 0.00 C ATOM 465 CG LYS A 53 -3.382 -10.151 13.861 1.00 0.00 C ATOM 466 CD LYS A 53 -3.637 -9.277 15.077 1.00 0.00 C ATOM 467 CE LYS A 53 -3.933 -10.115 16.310 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.768 -10.944 16.713 1.00 0.00 N ATOM 0 H LYS A 53 -2.516 -7.681 10.900 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.789 -7.899 13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.938 -8.626 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.085 -9.978 11.751 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.245 -10.793 13.687 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.532 -10.805 14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.767 -8.647 15.263 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.476 -8.610 14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.214 -9.460 17.135 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.787 -10.762 16.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.949 -11.367 17.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.620 -11.699 16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.918 -10.347 16.763 1.00 0.00 H new ATOM 481 N ASP A 54 -0.202 -10.016 11.619 1.00 0.00 N ATOM 482 CA ASP A 54 0.912 -10.959 11.573 1.00 0.00 C ATOM 483 C ASP A 54 2.253 -10.225 11.554 1.00 0.00 C ATOM 484 O ASP A 54 3.274 -10.766 11.983 1.00 0.00 O ATOM 485 CB ASP A 54 0.806 -11.857 10.336 1.00 0.00 C ATOM 486 CG ASP A 54 0.938 -11.076 9.044 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.093 -10.598 8.526 1.00 0.00 O ATOM 488 OD2 ASP A 54 2.074 -10.931 8.545 1.00 0.00 O ATOM 0 H ASP A 54 -0.624 -9.817 10.712 1.00 0.00 H new ATOM 0 HA ASP A 54 0.861 -11.574 12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.583 -12.621 10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.152 -12.376 10.348 1.00 0.00 H new ATOM 493 N GLY A 55 2.248 -8.996 11.057 1.00 0.00 N ATOM 494 CA GLY A 55 3.479 -8.253 10.912 1.00 0.00 C ATOM 495 C GLY A 55 3.575 -7.585 9.559 1.00 0.00 C ATOM 496 O GLY A 55 2.554 -7.257 8.956 1.00 0.00 O ATOM 0 H GLY A 55 1.410 -8.501 10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.542 -7.498 11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.327 -8.924 11.047 1.00 0.00 H new ATOM 500 N TRP A 56 4.793 -7.396 9.078 1.00 0.00 N ATOM 501 CA TRP A 56 5.018 -6.717 7.810 1.00 0.00 C ATOM 502 C TRP A 56 4.583 -7.582 6.635 1.00 0.00 C ATOM 503 O TRP A 56 5.099 -8.681 6.425 1.00 0.00 O ATOM 504 CB TRP A 56 6.490 -6.324 7.657 1.00 0.00 C ATOM 505 CG TRP A 56 6.915 -5.235 8.597 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.674 -5.365 9.725 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.592 -3.846 8.490 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.841 -4.138 10.323 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.187 -3.191 9.583 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.859 -3.092 7.572 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.065 -1.819 9.784 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.741 -1.732 7.773 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.341 -1.107 8.869 1.00 0.00 C ATOM 0 H TRP A 56 5.644 -7.704 9.548 1.00 0.00 H new ATOM 0 HA TRP A 56 4.411 -5.811 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.113 -7.203 7.825 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.667 -5.999 6.632 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.083 -6.294 10.093 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.367 -3.962 11.179 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.393 -3.564 6.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.526 -1.335 10.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.174 -1.140 7.070 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.231 -0.040 8.996 1.00 0.00 H new ATOM 524 N HIS A 57 3.617 -7.076 5.888 1.00 0.00 N ATOM 525 CA HIS A 57 3.130 -7.738 4.688 1.00 0.00 C ATOM 526 C HIS A 57 2.927 -6.706 3.587 1.00 0.00 C ATOM 527 O HIS A 57 2.648 -5.538 3.865 1.00 0.00 O ATOM 528 CB HIS A 57 1.815 -8.478 4.968 1.00 0.00 C ATOM 529 CG HIS A 57 1.927 -9.969 4.852 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.953 -10.817 5.937 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.009 -10.763 3.760 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.048 -12.065 5.520 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.085 -12.062 4.201 1.00 0.00 N ATOM 0 H HIS A 57 3.147 -6.195 6.095 1.00 0.00 H new ATOM 0 HA HIS A 57 3.869 -8.472 4.367 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.472 -8.225 5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.054 -8.124 4.273 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.906 -10.525 6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.014 -10.436 2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.089 -12.941 6.151 1.00 0.00 H new ATOM 541 N MET A 58 3.080 -7.131 2.343 1.00 0.00 N ATOM 542 CA MET A 58 2.938 -6.234 1.206 1.00 0.00 C ATOM 543 C MET A 58 1.494 -6.212 0.732 1.00 0.00 C ATOM 544 O MET A 58 0.774 -7.195 0.890 1.00 0.00 O ATOM 545 CB MET A 58 3.843 -6.675 0.054 1.00 0.00 C ATOM 546 CG MET A 58 5.330 -6.608 0.363 1.00 0.00 C ATOM 547 SD MET A 58 6.345 -7.232 -0.991 1.00 0.00 S ATOM 548 CE MET A 58 5.782 -6.199 -2.344 1.00 0.00 C ATOM 0 H MET A 58 3.303 -8.095 2.094 1.00 0.00 H new ATOM 0 HA MET A 58 3.231 -5.234 1.525 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.587 -7.698 -0.222 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.636 -6.050 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.608 -5.576 0.575 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.537 -7.185 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.595 -6.057 -3.056 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.942 -6.681 -2.844 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.466 -5.231 -1.956 1.00 0.00 H new ATOM 558 N VAL A 59 1.075 -5.099 0.148 1.00 0.00 N ATOM 559 CA VAL A 59 -0.272 -4.994 -0.392 1.00 0.00 C ATOM 560 C VAL A 59 -0.235 -5.093 -1.916 1.00 0.00 C ATOM 561 O VAL A 59 0.609 -4.475 -2.568 1.00 0.00 O ATOM 562 CB VAL A 59 -0.961 -3.671 0.025 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.401 -3.625 -0.472 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.916 -3.494 1.535 1.00 0.00 C ATOM 0 H VAL A 59 1.645 -4.260 0.036 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.853 -5.819 0.019 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.414 -2.849 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.862 -2.686 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.413 -3.697 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.960 -4.459 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.405 -2.559 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.432 -4.326 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.122 -3.471 1.868 1.00 0.00 H new ATOM 574 N CYS A 60 -1.133 -5.890 -2.470 1.00 0.00 N ATOM 575 CA CYS A 60 -1.219 -6.072 -3.910 1.00 0.00 C ATOM 576 C CYS A 60 -2.223 -5.081 -4.497 1.00 0.00 C ATOM 577 O CYS A 60 -3.240 -4.774 -3.864 1.00 0.00 O ATOM 578 CB CYS A 60 -1.639 -7.514 -4.221 1.00 0.00 C ATOM 579 SG CYS A 60 -1.451 -8.004 -5.967 1.00 0.00 S ATOM 0 H CYS A 60 -1.819 -6.426 -1.939 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.244 -5.886 -4.361 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.049 -8.191 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.682 -7.644 -3.932 1.00 0.00 H new ATOM 584 N SER A 61 -1.931 -4.569 -5.692 1.00 0.00 N ATOM 585 CA SER A 61 -2.788 -3.586 -6.356 1.00 0.00 C ATOM 586 C SER A 61 -4.070 -4.230 -6.899 1.00 0.00 C ATOM 587 O SER A 61 -4.307 -4.250 -8.108 1.00 0.00 O ATOM 588 CB SER A 61 -2.025 -2.910 -7.498 1.00 0.00 C ATOM 589 OG SER A 61 -0.749 -2.468 -7.069 1.00 0.00 O ATOM 0 H SER A 61 -1.099 -4.822 -6.225 1.00 0.00 H new ATOM 0 HA SER A 61 -3.073 -2.840 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.911 -3.609 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.600 -2.063 -7.872 1.00 0.00 H new ATOM 0 HG SER A 61 -0.161 -3.241 -6.941 1.00 0.00 H new ATOM 595 N GLN A 62 -4.868 -4.773 -5.994 1.00 0.00 N ATOM 596 CA GLN A 62 -6.175 -5.329 -6.323 1.00 0.00 C ATOM 597 C GLN A 62 -6.984 -5.460 -5.033 1.00 0.00 C ATOM 598 O GLN A 62 -7.519 -6.520 -4.710 1.00 0.00 O ATOM 599 CB GLN A 62 -6.021 -6.690 -7.025 1.00 0.00 C ATOM 600 CG GLN A 62 -7.328 -7.280 -7.545 1.00 0.00 C ATOM 601 CD GLN A 62 -8.053 -6.354 -8.503 1.00 0.00 C ATOM 602 OE1 GLN A 62 -8.872 -5.537 -8.089 1.00 0.00 O ATOM 603 NE2 GLN A 62 -7.766 -6.480 -9.790 1.00 0.00 N ATOM 0 H GLN A 62 -4.628 -4.842 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.700 -4.668 -7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.329 -6.579 -7.860 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.569 -7.396 -6.328 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.120 -8.224 -8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.980 -7.505 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.080 -7.171 -10.094 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.231 -5.886 -10.477 1.00 0.00 H new ATOM 612 N SER A 63 -7.060 -4.368 -4.288 1.00 0.00 N ATOM 613 CA SER A 63 -7.665 -4.393 -2.971 1.00 0.00 C ATOM 614 C SER A 63 -8.862 -3.449 -2.898 1.00 0.00 C ATOM 615 O SER A 63 -8.936 -2.470 -3.642 1.00 0.00 O ATOM 616 CB SER A 63 -6.620 -4.008 -1.918 1.00 0.00 C ATOM 617 OG SER A 63 -5.565 -4.958 -1.873 1.00 0.00 O ATOM 0 H SER A 63 -6.709 -3.454 -4.576 1.00 0.00 H new ATOM 0 HA SER A 63 -8.024 -5.403 -2.773 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.216 -3.022 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.094 -3.940 -0.939 1.00 0.00 H new ATOM 0 HG SER A 63 -4.904 -4.745 -2.564 1.00 0.00 H new ATOM 623 N TRP A 64 -9.784 -3.765 -1.988 1.00 0.00 N ATOM 624 CA TRP A 64 -10.996 -2.977 -1.760 1.00 0.00 C ATOM 625 C TRP A 64 -11.859 -2.918 -3.016 1.00 0.00 C ATOM 626 O TRP A 64 -12.723 -3.768 -3.229 1.00 0.00 O ATOM 627 CB TRP A 64 -10.649 -1.562 -1.273 1.00 0.00 C ATOM 628 CG TRP A 64 -9.691 -1.551 -0.118 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.940 -1.954 1.163 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.329 -1.114 -0.143 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.814 -1.797 1.933 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.813 -1.282 1.156 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.493 -0.598 -1.138 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.502 -0.950 1.484 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.192 -0.271 -0.810 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.708 -0.448 0.490 1.00 0.00 C ATOM 0 H TRP A 64 -9.710 -4.583 -1.383 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.572 -3.474 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.218 -0.996 -2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.566 -1.051 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.884 -2.340 1.518 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.737 -2.027 2.924 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.858 -0.458 -2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.125 -1.084 2.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.537 0.128 -1.570 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.685 -0.183 0.714 1.00 0.00 H new ATOM 647 N GLY A 65 -11.612 -1.920 -3.841 1.00 0.00 N ATOM 648 CA GLY A 65 -12.301 -1.802 -5.106 1.00 0.00 C ATOM 649 C GLY A 65 -11.434 -1.131 -6.147 1.00 0.00 C ATOM 650 O GLY A 65 -11.938 -0.500 -7.078 1.00 0.00 O ATOM 0 H GLY A 65 -10.937 -1.178 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.593 -2.792 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.218 -1.229 -4.970 1.00 0.00 H new ATOM 654 N ARG A 66 -10.122 -1.271 -5.991 1.00 0.00 N ATOM 655 CA ARG A 66 -9.171 -0.608 -6.867 1.00 0.00 C ATOM 656 C ARG A 66 -8.289 -1.644 -7.545 1.00 0.00 C ATOM 657 O ARG A 66 -7.714 -2.515 -6.885 1.00 0.00 O ATOM 658 CB ARG A 66 -8.295 0.371 -6.077 1.00 0.00 C ATOM 659 CG ARG A 66 -9.069 1.325 -5.176 1.00 0.00 C ATOM 660 CD ARG A 66 -10.050 2.189 -5.959 1.00 0.00 C ATOM 661 NE ARG A 66 -10.753 3.139 -5.095 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.876 2.856 -4.437 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.421 1.656 -4.543 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.464 3.768 -3.680 1.00 0.00 N ATOM 0 H ARG A 66 -9.694 -1.841 -5.261 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.728 -0.049 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.595 -0.199 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.701 0.956 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.612 0.752 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.368 1.967 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.514 2.734 -6.736 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.776 1.549 -6.461 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.359 4.074 -4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.981 0.946 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.281 1.440 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.058 4.700 -3.595 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.324 3.539 -3.181 1.00 0.00 H new ATOM 677 N SER A 67 -8.194 -1.552 -8.859 1.00 0.00 N ATOM 678 CA SER A 67 -7.376 -2.460 -9.638 1.00 0.00 C ATOM 679 C SER A 67 -5.930 -1.968 -9.687 1.00 0.00 C ATOM 680 O SER A 67 -5.557 -1.038 -8.969 1.00 0.00 O ATOM 681 CB SER A 67 -7.955 -2.573 -11.049 1.00 0.00 C ATOM 682 OG SER A 67 -8.168 -1.288 -11.614 1.00 0.00 O ATOM 0 H SER A 67 -8.681 -0.848 -9.414 1.00 0.00 H new ATOM 0 HA SER A 67 -7.380 -3.444 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.275 -3.144 -11.681 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.897 -3.121 -11.017 1.00 0.00 H new ATOM 0 HG SER A 67 -8.537 -1.385 -12.517 1.00 0.00 H new ATOM 688 N SER A 68 -5.117 -2.585 -10.536 1.00 0.00 N ATOM 689 CA SER A 68 -3.723 -2.192 -10.685 1.00 0.00 C ATOM 690 C SER A 68 -3.600 -0.938 -11.553 1.00 0.00 C ATOM 691 O SER A 68 -2.834 -0.901 -12.515 1.00 0.00 O ATOM 692 CB SER A 68 -2.924 -3.339 -11.298 1.00 0.00 C ATOM 693 OG SER A 68 -3.004 -4.507 -10.493 1.00 0.00 O ATOM 0 H SER A 68 -5.401 -3.362 -11.133 1.00 0.00 H new ATOM 0 HA SER A 68 -3.320 -1.962 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.302 -3.556 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.881 -3.041 -11.409 1.00 0.00 H new ATOM 0 HG SER A 68 -3.460 -4.294 -9.652 1.00 0.00 H new ATOM 699 N LYS A 69 -4.365 0.080 -11.196 1.00 0.00 N ATOM 700 CA LYS A 69 -4.355 1.351 -11.900 1.00 0.00 C ATOM 701 C LYS A 69 -4.030 2.463 -10.915 1.00 0.00 C ATOM 702 O LYS A 69 -4.081 2.257 -9.703 1.00 0.00 O ATOM 703 CB LYS A 69 -5.724 1.617 -12.545 1.00 0.00 C ATOM 704 CG LYS A 69 -6.089 0.675 -13.690 1.00 0.00 C ATOM 705 CD LYS A 69 -5.545 1.155 -15.033 1.00 0.00 C ATOM 706 CE LYS A 69 -4.053 0.903 -15.179 1.00 0.00 C ATOM 707 NZ LYS A 69 -3.737 -0.550 -15.206 1.00 0.00 N ATOM 0 H LYS A 69 -5.012 0.048 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.600 1.318 -12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.492 1.544 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.741 2.641 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.698 -0.320 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.174 0.585 -13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.076 0.649 -15.839 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.743 2.221 -15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.694 1.370 -16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.522 1.375 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.007 -0.733 -15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.387 -0.847 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.596 -1.088 -15.441 1.00 0.00 H new ATOM 720 N GLN A 70 -3.688 3.629 -11.429 1.00 0.00 N ATOM 721 CA GLN A 70 -3.443 4.788 -10.587 1.00 0.00 C ATOM 722 C GLN A 70 -4.726 5.597 -10.482 1.00 0.00 C ATOM 723 O GLN A 70 -4.980 6.478 -11.305 1.00 0.00 O ATOM 724 CB GLN A 70 -2.309 5.642 -11.164 1.00 0.00 C ATOM 725 CG GLN A 70 -0.980 4.904 -11.264 1.00 0.00 C ATOM 726 CD GLN A 70 0.102 5.729 -11.933 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.992 5.191 -12.592 1.00 0.00 O ATOM 728 NE2 GLN A 70 0.034 7.043 -11.771 1.00 0.00 N ATOM 0 H GLN A 70 -3.573 3.801 -12.428 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.138 4.461 -9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.597 5.991 -12.156 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.178 6.526 -10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.650 4.623 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.124 3.980 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.720 7.450 -11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.735 7.647 -12.200 1.00 0.00 H new ATOM 737 N TRP A 71 -5.538 5.277 -9.483 1.00 0.00 N ATOM 738 CA TRP A 71 -6.882 5.838 -9.378 1.00 0.00 C ATOM 739 C TRP A 71 -6.861 7.311 -8.975 1.00 0.00 C ATOM 740 O TRP A 71 -5.828 7.855 -8.585 1.00 0.00 O ATOM 741 CB TRP A 71 -7.737 5.021 -8.398 1.00 0.00 C ATOM 742 CG TRP A 71 -7.169 4.912 -7.016 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.370 5.775 -5.980 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.321 3.874 -6.515 1.00 0.00 C ATOM 745 NE1 TRP A 71 -6.696 5.342 -4.867 1.00 0.00 N ATOM 746 CE2 TRP A 71 -6.043 4.174 -5.169 1.00 0.00 C ATOM 747 CE3 TRP A 71 -5.768 2.719 -7.074 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -5.237 3.361 -4.377 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -4.970 1.914 -6.288 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.712 2.237 -4.953 1.00 0.00 C ATOM 0 H TRP A 71 -5.291 4.632 -8.733 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.333 5.780 -10.369 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.727 5.474 -8.335 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.870 4.017 -8.802 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.973 6.670 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.682 5.812 -3.962 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -5.962 2.461 -8.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.034 3.609 -3.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -4.537 1.019 -6.711 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.085 1.585 -4.363 1.00 0.00 H new ATOM 761 N GLU A 72 -8.030 7.936 -9.057 1.00 0.00 N ATOM 762 CA GLU A 72 -8.163 9.379 -8.901 1.00 0.00 C ATOM 763 C GLU A 72 -8.477 9.763 -7.458 1.00 0.00 C ATOM 764 O GLU A 72 -9.198 10.730 -7.208 1.00 0.00 O ATOM 765 CB GLU A 72 -9.275 9.880 -9.822 1.00 0.00 C ATOM 766 CG GLU A 72 -8.986 9.672 -11.299 1.00 0.00 C ATOM 767 CD GLU A 72 -10.249 9.530 -12.121 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.994 10.522 -12.265 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.504 8.419 -12.629 1.00 0.00 O ATOM 0 H GLU A 72 -8.912 7.456 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.213 9.842 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.203 9.369 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.435 10.942 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.404 10.514 -11.674 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.372 8.780 -11.424 1.00 0.00 H new ATOM 776 N ASP A 73 -7.947 9.001 -6.518 1.00 0.00 N ATOM 777 CA ASP A 73 -8.132 9.300 -5.103 1.00 0.00 C ATOM 778 C ASP A 73 -6.915 8.833 -4.301 1.00 0.00 C ATOM 779 O ASP A 73 -7.019 7.961 -3.435 1.00 0.00 O ATOM 780 CB ASP A 73 -9.408 8.626 -4.587 1.00 0.00 C ATOM 781 CG ASP A 73 -9.789 9.069 -3.187 1.00 0.00 C ATOM 782 OD1 ASP A 73 -9.322 10.138 -2.743 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.589 8.364 -2.533 1.00 0.00 O ATOM 0 H ASP A 73 -7.385 8.171 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.234 10.378 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.230 8.847 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.270 7.545 -4.595 1.00 0.00 H new ATOM 788 N PRO A 74 -5.726 9.390 -4.595 1.00 0.00 N ATOM 789 CA PRO A 74 -4.492 9.003 -3.924 1.00 0.00 C ATOM 790 C PRO A 74 -4.261 9.795 -2.642 1.00 0.00 C ATOM 791 O PRO A 74 -3.465 9.404 -1.788 1.00 0.00 O ATOM 792 CB PRO A 74 -3.431 9.343 -4.966 1.00 0.00 C ATOM 793 CG PRO A 74 -3.976 10.527 -5.690 1.00 0.00 C ATOM 794 CD PRO A 74 -5.484 10.434 -5.613 1.00 0.00 C ATOM 0 HA PRO A 74 -4.492 7.959 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.474 9.572 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.261 8.507 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.623 11.453 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.642 10.532 -6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.928 11.386 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.917 10.161 -6.575 1.00 0.00 H new ATOM 802 N SER A 75 -4.989 10.898 -2.513 1.00 0.00 N ATOM 803 CA SER A 75 -4.834 11.819 -1.397 1.00 0.00 C ATOM 804 C SER A 75 -5.162 11.150 -0.063 1.00 0.00 C ATOM 805 O SER A 75 -4.781 11.644 0.996 1.00 0.00 O ATOM 806 CB SER A 75 -5.727 13.039 -1.615 1.00 0.00 C ATOM 807 OG SER A 75 -5.532 13.574 -2.918 1.00 0.00 O ATOM 0 H SER A 75 -5.706 11.178 -3.183 1.00 0.00 H new ATOM 0 HA SER A 75 -3.791 12.132 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.772 12.760 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.503 13.799 -0.866 1.00 0.00 H new ATOM 0 HG SER A 75 -6.113 14.354 -3.042 1.00 0.00 H new ATOM 813 N GLN A 76 -5.852 10.015 -0.121 1.00 0.00 N ATOM 814 CA GLN A 76 -6.181 9.250 1.078 1.00 0.00 C ATOM 815 C GLN A 76 -4.913 8.839 1.825 1.00 0.00 C ATOM 816 O GLN A 76 -4.903 8.743 3.050 1.00 0.00 O ATOM 817 CB GLN A 76 -6.974 7.995 0.711 1.00 0.00 C ATOM 818 CG GLN A 76 -8.266 8.268 -0.033 1.00 0.00 C ATOM 819 CD GLN A 76 -9.205 9.183 0.725 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.201 9.228 1.955 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.023 9.913 -0.010 1.00 0.00 N ATOM 0 H GLN A 76 -6.195 9.603 -0.989 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.786 9.887 1.723 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.345 7.349 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.203 7.445 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.034 8.715 -1.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.771 7.323 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.993 9.845 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.685 10.545 0.439 1.00 0.00 H new ATOM 830 N ALA A 77 -3.839 8.629 1.076 1.00 0.00 N ATOM 831 CA ALA A 77 -2.602 8.115 1.644 1.00 0.00 C ATOM 832 C ALA A 77 -1.653 9.238 2.043 1.00 0.00 C ATOM 833 O ALA A 77 -0.489 8.993 2.361 1.00 0.00 O ATOM 834 CB ALA A 77 -1.920 7.182 0.655 1.00 0.00 C ATOM 0 H ALA A 77 -3.800 8.807 0.072 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.859 7.562 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.995 6.803 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.582 6.347 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.693 7.726 -0.262 1.00 0.00 H new ATOM 840 N SER A 78 -2.154 10.467 2.044 1.00 0.00 N ATOM 841 CA SER A 78 -1.342 11.621 2.411 1.00 0.00 C ATOM 842 C SER A 78 -0.831 11.495 3.844 1.00 0.00 C ATOM 843 O SER A 78 0.251 11.981 4.173 1.00 0.00 O ATOM 844 CB SER A 78 -2.150 12.909 2.244 1.00 0.00 C ATOM 845 OG SER A 78 -3.389 12.824 2.929 1.00 0.00 O ATOM 0 H SER A 78 -3.118 10.690 1.795 1.00 0.00 H new ATOM 0 HA SER A 78 -0.479 11.658 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.577 13.754 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.328 13.096 1.185 1.00 0.00 H new ATOM 0 HG SER A 78 -4.097 12.580 2.296 1.00 0.00 H new ATOM 851 N LYS A 79 -1.603 10.818 4.687 1.00 0.00 N ATOM 852 CA LYS A 79 -1.224 10.627 6.079 1.00 0.00 C ATOM 853 C LYS A 79 -0.042 9.667 6.194 1.00 0.00 C ATOM 854 O LYS A 79 0.738 9.740 7.143 1.00 0.00 O ATOM 855 CB LYS A 79 -2.416 10.127 6.900 1.00 0.00 C ATOM 856 CG LYS A 79 -3.627 11.046 6.828 1.00 0.00 C ATOM 857 CD LYS A 79 -3.246 12.494 7.109 1.00 0.00 C ATOM 858 CE LYS A 79 -4.432 13.432 6.952 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.022 14.861 7.043 1.00 0.00 N ATOM 0 H LYS A 79 -2.494 10.393 4.429 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.914 11.591 6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.700 9.135 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.111 10.020 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.082 10.973 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.376 10.719 7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.850 12.575 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.450 12.798 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.913 13.252 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.171 13.216 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.858 15.470 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.586 15.039 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.336 15.074 6.291 1.00 0.00 H new ATOM 872 N VAL A 80 0.104 8.784 5.211 1.00 0.00 N ATOM 873 CA VAL A 80 1.266 7.909 5.146 1.00 0.00 C ATOM 874 C VAL A 80 2.491 8.736 4.783 1.00 0.00 C ATOM 875 O VAL A 80 3.536 8.634 5.422 1.00 0.00 O ATOM 876 CB VAL A 80 1.082 6.764 4.120 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.351 5.925 4.004 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.100 5.884 4.502 1.00 0.00 C ATOM 0 H VAL A 80 -0.566 8.657 4.452 1.00 0.00 H new ATOM 0 HA VAL A 80 1.394 7.446 6.125 1.00 0.00 H new ATOM 0 HB VAL A 80 0.880 7.215 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.195 5.128 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.177 6.557 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.589 5.490 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.212 5.086 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.073 5.450 5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.009 6.485 4.525 1.00 0.00 H new ATOM 888 N CYS A 81 2.334 9.582 3.768 1.00 0.00 N ATOM 889 CA CYS A 81 3.388 10.505 3.364 1.00 0.00 C ATOM 890 C CYS A 81 3.777 11.406 4.534 1.00 0.00 C ATOM 891 O CYS A 81 4.955 11.679 4.750 1.00 0.00 O ATOM 892 CB CYS A 81 2.932 11.355 2.176 1.00 0.00 C ATOM 893 SG CYS A 81 2.446 10.386 0.710 1.00 0.00 S ATOM 0 H CYS A 81 1.483 9.646 3.209 1.00 0.00 H new ATOM 0 HA CYS A 81 4.258 9.923 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.088 11.971 2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.738 12.034 1.898 1.00 0.00 H new ATOM 898 N GLN A 82 2.778 11.841 5.294 1.00 0.00 N ATOM 899 CA GLN A 82 3.000 12.658 6.484 1.00 0.00 C ATOM 900 C GLN A 82 3.871 11.917 7.501 1.00 0.00 C ATOM 901 O GLN A 82 4.799 12.492 8.066 1.00 0.00 O ATOM 902 CB GLN A 82 1.656 13.047 7.111 1.00 0.00 C ATOM 903 CG GLN A 82 1.768 13.768 8.447 1.00 0.00 C ATOM 904 CD GLN A 82 0.420 14.217 8.973 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.276 13.468 9.662 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.049 15.449 8.670 1.00 0.00 N ATOM 0 H GLN A 82 1.796 11.639 5.105 1.00 0.00 H new ATOM 0 HA GLN A 82 3.527 13.565 6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.115 13.685 6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.059 12.146 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.238 13.107 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.419 14.635 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.654 16.037 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.842 15.811 9.009 1.00 0.00 H new ATOM 915 N ARG A 83 3.586 10.636 7.712 1.00 0.00 N ATOM 916 CA ARG A 83 4.362 9.821 8.645 1.00 0.00 C ATOM 917 C ARG A 83 5.791 9.611 8.153 1.00 0.00 C ATOM 918 O ARG A 83 6.689 9.307 8.938 1.00 0.00 O ATOM 919 CB ARG A 83 3.679 8.472 8.883 1.00 0.00 C ATOM 920 CG ARG A 83 2.645 8.501 9.999 1.00 0.00 C ATOM 921 CD ARG A 83 3.309 8.640 11.364 1.00 0.00 C ATOM 922 NE ARG A 83 2.340 8.759 12.452 1.00 0.00 N ATOM 923 CZ ARG A 83 2.681 8.800 13.735 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.961 8.721 14.080 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.759 8.926 14.675 1.00 0.00 N ATOM 0 H ARG A 83 2.824 10.139 7.251 1.00 0.00 H new ATOM 0 HA ARG A 83 4.410 10.362 9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.196 8.151 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.438 7.727 9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.958 9.332 9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.052 7.587 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.946 7.774 11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.956 9.517 11.361 1.00 0.00 H new ATOM 0 HE ARG A 83 1.350 8.813 12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.678 8.629 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.227 8.752 15.064 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.774 8.993 14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.033 8.956 15.657 1.00 0.00 H new ATOM 938 N LEU A 84 6.003 9.768 6.855 1.00 0.00 N ATOM 939 CA LEU A 84 7.342 9.670 6.289 1.00 0.00 C ATOM 940 C LEU A 84 7.928 11.057 6.032 1.00 0.00 C ATOM 941 O LEU A 84 9.015 11.188 5.469 1.00 0.00 O ATOM 942 CB LEU A 84 7.340 8.844 4.997 1.00 0.00 C ATOM 943 CG LEU A 84 7.356 7.320 5.187 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.061 6.821 5.809 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.608 6.622 3.861 1.00 0.00 C ATOM 0 H LEU A 84 5.268 9.963 6.175 1.00 0.00 H new ATOM 0 HA LEU A 84 7.971 9.159 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.457 9.111 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.209 9.128 4.403 1.00 0.00 H new ATOM 0 HG LEU A 84 8.169 7.081 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.108 5.739 5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.922 7.288 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.223 7.078 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.616 5.543 4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.818 6.883 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.571 6.939 3.460 1.00 0.00 H new ATOM 957 N ASN A 85 7.193 12.082 6.467 1.00 0.00 N ATOM 958 CA ASN A 85 7.601 13.482 6.328 1.00 0.00 C ATOM 959 C ASN A 85 7.805 13.857 4.857 1.00 0.00 C ATOM 960 O ASN A 85 8.824 14.426 4.470 1.00 0.00 O ATOM 961 CB ASN A 85 8.856 13.773 7.164 1.00 0.00 C ATOM 962 CG ASN A 85 9.169 15.259 7.262 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.998 15.784 6.519 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.497 15.950 8.167 1.00 0.00 N ATOM 0 H ASN A 85 6.291 11.964 6.929 1.00 0.00 H new ATOM 0 HA ASN A 85 6.795 14.107 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.721 13.368 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.708 13.255 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.658 16.952 8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.817 15.481 8.766 1.00 0.00 H new ATOM 971 N CYS A 86 6.823 13.524 4.037 1.00 0.00 N ATOM 972 CA CYS A 86 6.843 13.889 2.631 1.00 0.00 C ATOM 973 C CYS A 86 5.545 14.589 2.248 1.00 0.00 C ATOM 974 O CYS A 86 4.581 14.583 3.021 1.00 0.00 O ATOM 975 CB CYS A 86 7.083 12.655 1.755 1.00 0.00 C ATOM 976 SG CYS A 86 8.804 12.048 1.797 1.00 0.00 S ATOM 0 H CYS A 86 5.997 12.998 4.323 1.00 0.00 H new ATOM 0 HA CYS A 86 7.667 14.583 2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.417 11.855 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.816 12.894 0.725 1.00 0.00 H new ATOM 981 N GLY A 87 5.521 15.192 1.068 1.00 0.00 N ATOM 982 CA GLY A 87 4.378 15.977 0.658 1.00 0.00 C ATOM 983 C GLY A 87 3.206 15.132 0.201 1.00 0.00 C ATOM 984 O GLY A 87 3.127 13.941 0.506 1.00 0.00 O ATOM 0 H GLY A 87 6.278 15.150 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.061 16.607 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.675 16.643 -0.152 1.00 0.00 H new ATOM 988 N ASP A 88 2.302 15.762 -0.541 1.00 0.00 N ATOM 989 CA ASP A 88 1.089 15.108 -1.029 1.00 0.00 C ATOM 990 C ASP A 88 1.420 13.919 -1.923 1.00 0.00 C ATOM 991 O ASP A 88 2.485 13.867 -2.545 1.00 0.00 O ATOM 992 CB ASP A 88 0.218 16.100 -1.811 1.00 0.00 C ATOM 993 CG ASP A 88 -0.445 17.143 -0.931 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.226 18.128 -0.552 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.649 17.000 -0.633 1.00 0.00 O ATOM 0 H ASP A 88 2.387 16.739 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 88 0.541 14.749 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.833 16.603 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.552 15.549 -2.351 1.00 0.00 H new ATOM 1000 N PRO A 89 0.511 12.937 -1.982 1.00 0.00 N ATOM 1001 CA PRO A 89 0.659 11.770 -2.848 1.00 0.00 C ATOM 1002 C PRO A 89 0.636 12.150 -4.325 1.00 0.00 C ATOM 1003 O PRO A 89 -0.373 12.643 -4.838 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.556 10.895 -2.512 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.093 11.428 -1.230 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.728 12.881 -1.196 1.00 0.00 C ATOM 0 HA PRO A 89 1.613 11.268 -2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.306 10.946 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.269 9.848 -2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.174 11.297 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.665 10.899 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.510 13.502 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.574 13.233 -0.176 1.00 0.00 H new ATOM 1014 N LEU A 90 1.750 11.912 -4.997 1.00 0.00 N ATOM 1015 CA LEU A 90 1.874 12.190 -6.418 1.00 0.00 C ATOM 1016 C LEU A 90 1.115 11.121 -7.193 1.00 0.00 C ATOM 1017 O LEU A 90 0.305 11.426 -8.069 1.00 0.00 O ATOM 1018 CB LEU A 90 3.360 12.204 -6.821 1.00 0.00 C ATOM 1019 CG LEU A 90 3.724 13.002 -8.084 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.237 13.097 -8.235 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.116 12.377 -9.331 1.00 0.00 C ATOM 0 H LEU A 90 2.592 11.522 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 90 1.452 13.168 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.935 12.606 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.684 11.173 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 90 3.312 14.005 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.478 13.665 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.659 13.599 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.658 12.095 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.393 12.966 -10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.488 11.359 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.030 12.357 -9.236 1.00 0.00 H new ATOM 1033 N SER A 91 1.358 9.870 -6.838 1.00 0.00 N ATOM 1034 CA SER A 91 0.722 8.752 -7.508 1.00 0.00 C ATOM 1035 C SER A 91 0.507 7.597 -6.536 1.00 0.00 C ATOM 1036 O SER A 91 1.285 7.407 -5.595 1.00 0.00 O ATOM 1037 CB SER A 91 1.572 8.297 -8.699 1.00 0.00 C ATOM 1038 OG SER A 91 2.914 8.063 -8.309 1.00 0.00 O ATOM 0 H SER A 91 1.994 9.604 -6.086 1.00 0.00 H new ATOM 0 HA SER A 91 -0.252 9.076 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.150 7.387 -9.124 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.544 9.056 -9.480 1.00 0.00 H new ATOM 0 HG SER A 91 3.435 7.772 -9.087 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.558 6.844 -6.761 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.881 5.690 -5.936 1.00 0.00 C ATOM 1046 C LEU A 92 -1.445 4.594 -6.836 1.00 0.00 C ATOM 1047 O LEU A 92 -2.499 4.773 -7.447 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.916 6.079 -4.866 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.785 5.389 -3.496 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.911 5.830 -2.570 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.779 3.873 -3.628 1.00 0.00 C ATOM 0 H LEU A 92 -1.221 7.014 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 92 0.016 5.331 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.858 7.156 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.910 5.867 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.829 5.690 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.804 5.333 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.865 6.910 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.871 5.563 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.685 3.422 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.710 3.544 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.938 3.565 -4.249 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.737 3.481 -6.944 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.188 2.408 -7.809 1.00 0.00 C ATOM 1065 C GLY A 93 -0.165 1.299 -7.922 1.00 0.00 C ATOM 1066 O GLY A 93 0.352 0.838 -6.911 1.00 0.00 O ATOM 0 H GLY A 93 0.138 3.300 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.122 2.001 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.400 2.807 -8.801 1.00 0.00 H new ATOM 1070 N PRO A 94 0.147 0.839 -9.138 1.00 0.00 N ATOM 1071 CA PRO A 94 1.159 -0.190 -9.354 1.00 0.00 C ATOM 1072 C PRO A 94 2.565 0.393 -9.533 1.00 0.00 C ATOM 1073 O PRO A 94 2.860 1.042 -10.540 1.00 0.00 O ATOM 1074 CB PRO A 94 0.678 -0.854 -10.642 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.009 0.234 -11.409 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.479 1.262 -10.403 1.00 0.00 C ATOM 0 HA PRO A 94 1.254 -0.869 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.513 -1.268 -11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.004 -1.678 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.672 0.685 -12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.852 -0.166 -11.973 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.167 2.268 -10.685 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.566 1.275 -10.325 1.00 0.00 H new ATOM 1084 N PHE A 95 3.432 0.159 -8.559 1.00 0.00 N ATOM 1085 CA PHE A 95 4.800 0.655 -8.625 1.00 0.00 C ATOM 1086 C PHE A 95 5.773 -0.512 -8.589 1.00 0.00 C ATOM 1087 O PHE A 95 5.988 -1.109 -7.530 1.00 0.00 O ATOM 1088 CB PHE A 95 5.090 1.604 -7.461 1.00 0.00 C ATOM 1089 CG PHE A 95 6.294 2.478 -7.677 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.194 3.642 -8.424 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.524 2.138 -7.135 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.297 4.448 -8.627 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.630 2.942 -7.336 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.516 4.098 -8.082 1.00 0.00 C ATOM 0 H PHE A 95 3.214 -0.370 -7.715 1.00 0.00 H new ATOM 0 HA PHE A 95 4.923 1.204 -9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.218 2.237 -7.294 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.236 1.018 -6.554 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.243 3.922 -8.852 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.619 1.235 -6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.206 5.351 -9.212 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.583 2.666 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.379 4.728 -8.239 1.00 0.00 H new ATOM 1104 N LEU A 96 6.346 -0.832 -9.753 1.00 0.00 N ATOM 1105 CA LEU A 96 7.268 -1.958 -9.898 1.00 0.00 C ATOM 1106 C LEU A 96 6.513 -3.285 -9.742 1.00 0.00 C ATOM 1107 O LEU A 96 5.358 -3.310 -9.314 1.00 0.00 O ATOM 1108 CB LEU A 96 8.414 -1.855 -8.879 1.00 0.00 C ATOM 1109 CG LEU A 96 9.589 -2.810 -9.108 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.276 -2.511 -10.435 1.00 0.00 C ATOM 1111 CD2 LEU A 96 10.585 -2.719 -7.962 1.00 0.00 C ATOM 0 H LEU A 96 6.183 -0.318 -10.619 1.00 0.00 H new ATOM 0 HA LEU A 96 7.704 -1.926 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.793 -0.833 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.009 -2.037 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 96 9.198 -3.827 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.108 -3.201 -10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.562 -2.630 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.651 -1.487 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.412 -3.405 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.967 -1.701 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.090 -2.986 -7.028 1.00 0.00 H new ATOM 1123 N LYS A 97 7.146 -4.386 -10.116 1.00 0.00 N ATOM 1124 CA LYS A 97 6.498 -5.680 -10.016 1.00 0.00 C ATOM 1125 C LYS A 97 7.315 -6.632 -9.157 1.00 0.00 C ATOM 1126 O LYS A 97 8.282 -7.232 -9.623 1.00 0.00 O ATOM 1127 CB LYS A 97 6.273 -6.301 -11.399 1.00 0.00 C ATOM 1128 CG LYS A 97 5.380 -5.480 -12.316 1.00 0.00 C ATOM 1129 CD LYS A 97 5.057 -6.243 -13.587 1.00 0.00 C ATOM 1130 CE LYS A 97 4.241 -5.406 -14.558 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.844 -6.183 -15.763 1.00 0.00 N ATOM 0 H LYS A 97 8.096 -4.409 -10.487 1.00 0.00 H new ATOM 0 HA LYS A 97 5.528 -5.519 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.240 -6.441 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.833 -7.290 -11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.456 -5.224 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.875 -4.542 -12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.984 -6.557 -14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.506 -7.149 -13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.348 -5.034 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.821 -4.535 -14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.289 -5.576 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.696 -6.516 -16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.269 -7.000 -15.475 1.00 0.00 H new ATOM 1144 N THR A 98 6.942 -6.744 -7.895 1.00 0.00 N ATOM 1145 CA THR A 98 7.518 -7.755 -7.029 1.00 0.00 C ATOM 1146 C THR A 98 6.844 -9.090 -7.324 1.00 0.00 C ATOM 1147 O THR A 98 7.475 -10.147 -7.262 1.00 0.00 O ATOM 1148 CB THR A 98 7.339 -7.379 -5.545 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.717 -6.009 -5.354 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.183 -8.268 -4.645 1.00 0.00 C ATOM 0 H THR A 98 6.244 -6.149 -7.448 1.00 0.00 H new ATOM 0 HA THR A 98 8.588 -7.828 -7.222 1.00 0.00 H new ATOM 0 HB THR A 98 6.292 -7.521 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.981 -5.425 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.035 -7.978 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.885 -9.308 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.235 -8.156 -4.907 1.00 0.00 H new ATOM 1158 N TYR A 99 5.559 -9.008 -7.676 1.00 0.00 N ATOM 1159 CA TYR A 99 4.794 -10.146 -8.190 1.00 0.00 C ATOM 1160 C TYR A 99 4.978 -11.390 -7.322 1.00 0.00 C ATOM 1161 O TYR A 99 5.332 -12.462 -7.816 1.00 0.00 O ATOM 1162 CB TYR A 99 5.219 -10.435 -9.632 1.00 0.00 C ATOM 1163 CG TYR A 99 4.101 -10.940 -10.523 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.713 -12.274 -10.510 1.00 0.00 C ATOM 1165 CD2 TYR A 99 3.440 -10.073 -11.385 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.696 -12.729 -11.329 1.00 0.00 C ATOM 1167 CE2 TYR A 99 2.424 -10.521 -12.206 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.056 -11.847 -12.176 1.00 0.00 C ATOM 1169 OH TYR A 99 1.046 -12.294 -12.999 1.00 0.00 O ATOM 0 H TYR A 99 5.017 -8.146 -7.612 1.00 0.00 H new ATOM 0 HA TYR A 99 3.736 -9.886 -8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.631 -9.524 -10.067 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.021 -11.173 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.214 -12.967 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.726 -9.032 -11.413 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.404 -13.769 -11.306 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.920 -9.834 -12.869 1.00 0.00 H new ATOM 0 HH TYR A 99 0.364 -12.749 -12.462 1.00 0.00 H new ATOM 1179 N THR A 100 4.756 -11.239 -6.029 1.00 0.00 N ATOM 1180 CA THR A 100 4.865 -12.352 -5.111 1.00 0.00 C ATOM 1181 C THR A 100 3.484 -12.722 -4.574 1.00 0.00 C ATOM 1182 O THR A 100 2.988 -12.103 -3.628 1.00 0.00 O ATOM 1183 CB THR A 100 5.807 -12.019 -3.942 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.014 -11.433 -4.448 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.149 -13.271 -3.150 1.00 0.00 C ATOM 0 H THR A 100 4.499 -10.354 -5.593 1.00 0.00 H new ATOM 0 HA THR A 100 5.283 -13.199 -5.655 1.00 0.00 H new ATOM 0 HB THR A 100 5.301 -11.315 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.612 -11.220 -3.702 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.816 -13.011 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.235 -13.710 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.641 -13.991 -3.803 1.00 0.00 H new ATOM 1193 N PRO A 101 2.845 -13.739 -5.177 1.00 0.00 N ATOM 1194 CA PRO A 101 1.478 -14.149 -4.839 1.00 0.00 C ATOM 1195 C PRO A 101 1.393 -14.873 -3.497 1.00 0.00 C ATOM 1196 O PRO A 101 0.881 -15.991 -3.405 1.00 0.00 O ATOM 1197 CB PRO A 101 1.080 -15.092 -5.988 1.00 0.00 C ATOM 1198 CG PRO A 101 2.178 -14.993 -6.996 1.00 0.00 C ATOM 1199 CD PRO A 101 3.403 -14.582 -6.237 1.00 0.00 C ATOM 0 HA PRO A 101 0.819 -13.287 -4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.967 -16.116 -5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.124 -14.798 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.333 -15.948 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.934 -14.263 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.939 -15.441 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.106 -14.034 -6.865 1.00 0.00 H new ATOM 1207 N GLN A 102 1.900 -14.224 -2.462 1.00 0.00 N ATOM 1208 CA GLN A 102 1.858 -14.756 -1.112 1.00 0.00 C ATOM 1209 C GLN A 102 1.998 -13.619 -0.111 1.00 0.00 C ATOM 1210 O GLN A 102 1.111 -13.383 0.705 1.00 0.00 O ATOM 1211 CB GLN A 102 2.975 -15.780 -0.892 1.00 0.00 C ATOM 1212 CG GLN A 102 2.940 -16.408 0.490 1.00 0.00 C ATOM 1213 CD GLN A 102 4.162 -17.251 0.780 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.192 -18.447 0.496 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.176 -16.632 1.357 1.00 0.00 N ATOM 0 H GLN A 102 2.352 -13.313 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 102 0.901 -15.257 -0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.894 -16.565 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.940 -15.295 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.860 -15.621 1.240 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.047 -17.027 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.109 -15.638 1.575 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.026 -17.148 1.584 1.00 0.00 H new ATOM 1224 N SER A 103 3.115 -12.909 -0.196 1.00 0.00 N ATOM 1225 CA SER A 103 3.394 -11.812 0.711 1.00 0.00 C ATOM 1226 C SER A 103 2.736 -10.520 0.238 1.00 0.00 C ATOM 1227 O SER A 103 2.514 -9.606 1.032 1.00 0.00 O ATOM 1228 CB SER A 103 4.899 -11.633 0.844 1.00 0.00 C ATOM 1229 OG SER A 103 5.524 -11.732 -0.421 1.00 0.00 O ATOM 0 H SER A 103 3.844 -13.077 -0.889 1.00 0.00 H new ATOM 0 HA SER A 103 2.973 -12.052 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.118 -10.662 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.303 -12.390 1.516 1.00 0.00 H new ATOM 0 HG SER A 103 6.491 -11.613 -0.318 1.00 0.00 H new ATOM 1235 N SER A 104 2.449 -10.437 -1.054 1.00 0.00 N ATOM 1236 CA SER A 104 1.657 -9.338 -1.585 1.00 0.00 C ATOM 1237 C SER A 104 0.179 -9.714 -1.494 1.00 0.00 C ATOM 1238 O SER A 104 -0.353 -10.407 -2.361 1.00 0.00 O ATOM 1239 CB SER A 104 2.064 -9.041 -3.032 1.00 0.00 C ATOM 1240 OG SER A 104 3.470 -8.873 -3.136 1.00 0.00 O ATOM 0 H SER A 104 2.752 -11.116 -1.752 1.00 0.00 H new ATOM 0 HA SER A 104 1.833 -8.434 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.742 -9.856 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.559 -8.140 -3.379 1.00 0.00 H new ATOM 0 HG SER A 104 3.709 -8.686 -4.068 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.470 -9.274 -0.427 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.821 -9.723 -0.113 1.00 0.00 C ATOM 1248 C ILE A 105 -2.874 -8.717 -0.568 1.00 0.00 C ATOM 1249 O ILE A 105 -2.560 -7.579 -0.914 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.987 -9.998 1.400 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.697 -8.739 2.218 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.077 -11.139 1.840 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.738 -8.968 3.713 1.00 0.00 C ATOM 0 H ILE A 105 -0.083 -8.605 0.239 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.973 -10.653 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.022 -10.290 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.714 -8.356 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.424 -7.970 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.208 -11.318 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.333 -12.043 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.039 -10.874 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.523 -8.033 4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.728 -9.322 4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.992 -9.714 3.987 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.124 -9.154 -0.567 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.231 -8.329 -1.029 1.00 0.00 C ATOM 1267 C ILE A 106 -6.151 -7.970 0.130 1.00 0.00 C ATOM 1268 O ILE A 106 -6.649 -8.848 0.838 1.00 0.00 O ATOM 1269 CB ILE A 106 -6.032 -9.047 -2.143 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.310 -8.907 -3.484 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.453 -8.511 -2.240 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.963 -9.681 -4.610 1.00 0.00 C ATOM 0 H ILE A 106 -4.399 -10.083 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.814 -7.411 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.097 -10.104 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.269 -7.852 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.281 -9.247 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.987 -9.037 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.966 -8.666 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.425 -7.445 -2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.396 -9.534 -5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.980 -10.742 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.983 -9.325 -4.752 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.369 -6.680 0.321 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.198 -6.200 1.418 1.00 0.00 C ATOM 1286 C CYS A 107 -8.634 -5.982 0.959 1.00 0.00 C ATOM 1287 O CYS A 107 -8.889 -5.700 -0.213 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.614 -4.908 1.998 1.00 0.00 C ATOM 1289 SG CYS A 107 -4.938 -5.111 2.682 1.00 0.00 S ATOM 0 H CYS A 107 -5.983 -5.943 -0.270 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.207 -6.960 2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.590 -4.147 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.276 -4.539 2.782 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.575 -6.131 1.883 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.986 -5.960 1.578 1.00 0.00 C ATOM 1296 C TYR A 108 -11.604 -4.922 2.498 1.00 0.00 C ATOM 1297 O TYR A 108 -11.054 -4.617 3.558 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.736 -7.290 1.710 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.302 -8.343 0.714 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.709 -8.274 -0.611 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.487 -9.403 1.095 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.320 -9.229 -1.528 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.092 -10.362 0.183 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.512 -10.271 -1.127 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.119 -11.219 -2.042 1.00 0.00 O ATOM 0 H TYR A 108 -9.382 -6.371 2.855 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.071 -5.615 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.593 -7.678 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.804 -7.107 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.341 -7.459 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.157 -9.478 2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.647 -9.160 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.458 -11.179 0.494 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.552 -11.885 -1.600 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.745 -4.383 2.095 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.409 -3.377 2.894 1.00 0.00 C ATOM 1317 C GLY A 109 -13.356 -2.010 2.246 1.00 0.00 C ATOM 1318 O GLY A 109 -13.209 -1.901 1.027 1.00 0.00 O ATOM 0 H GLY A 109 -13.223 -4.626 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.449 -3.665 3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.942 -3.330 3.878 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.479 -0.974 3.062 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.433 0.402 2.582 1.00 0.00 C ATOM 1324 C GLN A 110 -12.000 0.802 2.256 1.00 0.00 C ATOM 1325 O GLN A 110 -11.061 0.373 2.929 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.998 1.359 3.640 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.480 1.170 3.945 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.778 -0.106 4.712 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.949 -0.593 5.485 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.960 -0.661 4.499 1.00 0.00 N ATOM 0 H GLN A 110 -13.613 -1.060 4.069 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.040 0.466 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.432 1.233 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.838 2.384 3.305 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.837 2.024 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.038 1.162 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.618 -0.227 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.213 -1.523 4.982 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.848 1.627 1.220 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.538 2.111 0.792 1.00 0.00 C ATOM 1341 C LEU A 111 -9.794 2.771 1.952 1.00 0.00 C ATOM 1342 O LEU A 111 -10.168 3.851 2.409 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.696 3.109 -0.366 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.399 3.766 -0.866 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.487 2.744 -1.529 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.713 4.902 -1.830 1.00 0.00 C ATOM 0 H LEU A 111 -12.624 1.976 0.658 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.954 1.256 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.166 2.593 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.381 3.896 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.876 4.176 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.578 3.237 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.229 1.966 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.001 2.296 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.783 5.355 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.264 4.511 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.317 5.654 -1.322 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.749 2.107 2.429 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.969 2.641 3.528 1.00 0.00 C ATOM 1360 C GLY A 112 -8.030 1.763 4.759 1.00 0.00 C ATOM 1361 O GLY A 112 -7.279 1.968 5.714 1.00 0.00 O ATOM 0 H GLY A 112 -8.427 1.207 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.931 2.750 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.333 3.638 3.778 1.00 0.00 H new ATOM 1365 N SER A 113 -8.928 0.787 4.742 1.00 0.00 N ATOM 1366 CA SER A 113 -9.071 -0.134 5.857 1.00 0.00 C ATOM 1367 C SER A 113 -8.308 -1.430 5.571 1.00 0.00 C ATOM 1368 O SER A 113 -8.668 -2.196 4.678 1.00 0.00 O ATOM 1369 CB SER A 113 -10.555 -0.425 6.116 1.00 0.00 C ATOM 1370 OG SER A 113 -10.754 -1.057 7.374 1.00 0.00 O ATOM 0 H SER A 113 -9.568 0.614 3.967 1.00 0.00 H new ATOM 0 HA SER A 113 -8.649 0.324 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.120 0.507 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.945 -1.062 5.322 1.00 0.00 H new ATOM 0 HG SER A 113 -11.710 -1.226 7.507 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.242 -1.659 6.327 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.412 -2.851 6.166 1.00 0.00 C ATOM 1378 C PHE A 114 -6.736 -3.862 7.258 1.00 0.00 C ATOM 1379 O PHE A 114 -5.942 -4.754 7.553 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.921 -2.489 6.241 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.441 -1.562 5.155 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.585 -0.186 5.281 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.828 -2.064 4.018 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.131 0.666 4.294 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.371 -1.215 3.030 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.523 0.152 3.168 1.00 0.00 C ATOM 0 H PHE A 114 -6.928 -1.029 7.065 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.624 -3.284 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.722 -2.027 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.336 -3.408 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.058 0.222 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.706 -3.131 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.252 1.734 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.895 -1.619 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.166 0.817 2.395 1.00 0.00 H new ATOM 1396 N SER A 115 -7.911 -3.721 7.853 1.00 0.00 N ATOM 1397 CA SER A 115 -8.303 -4.560 8.979 1.00 0.00 C ATOM 1398 C SER A 115 -8.727 -5.957 8.522 1.00 0.00 C ATOM 1399 O SER A 115 -9.127 -6.791 9.341 1.00 0.00 O ATOM 1400 CB SER A 115 -9.436 -3.887 9.749 1.00 0.00 C ATOM 1401 OG SER A 115 -9.064 -2.580 10.155 1.00 0.00 O ATOM 0 H SER A 115 -8.611 -3.033 7.576 1.00 0.00 H new ATOM 0 HA SER A 115 -7.438 -4.679 9.632 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.328 -3.838 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.692 -4.485 10.624 1.00 0.00 H new ATOM 0 HG SER A 115 -8.242 -2.624 10.687 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.645 -6.209 7.220 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.976 -7.514 6.665 1.00 0.00 C ATOM 1409 C ASN A 116 -8.277 -7.712 5.326 1.00 0.00 C ATOM 1410 O ASN A 116 -8.791 -7.304 4.283 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.491 -7.664 6.484 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.885 -9.066 6.048 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.097 -9.947 6.882 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.990 -9.283 4.746 1.00 0.00 N ATOM 0 H ASN A 116 -8.350 -5.521 6.527 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.632 -8.275 7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.992 -7.423 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.839 -6.944 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.255 -10.206 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.806 -8.527 4.086 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.105 -8.322 5.356 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.361 -8.588 4.136 1.00 0.00 C ATOM 1423 C CYS A 117 -6.093 -10.082 4.005 1.00 0.00 C ATOM 1424 O CYS A 117 -5.679 -10.737 4.961 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.052 -7.794 4.125 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.258 -6.015 4.473 1.00 0.00 S ATOM 0 H CYS A 117 -6.648 -8.642 6.210 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.956 -8.268 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.374 -8.222 4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.577 -7.910 3.151 1.00 0.00 H new ATOM 1431 N SER A 118 -6.341 -10.620 2.824 1.00 0.00 N ATOM 1432 CA SER A 118 -6.272 -12.053 2.604 1.00 0.00 C ATOM 1433 C SER A 118 -5.218 -12.401 1.556 1.00 0.00 C ATOM 1434 O SER A 118 -4.705 -11.527 0.855 1.00 0.00 O ATOM 1435 CB SER A 118 -7.641 -12.565 2.157 1.00 0.00 C ATOM 1436 OG SER A 118 -8.655 -12.180 3.071 1.00 0.00 O ATOM 0 H SER A 118 -6.594 -10.080 1.996 1.00 0.00 H new ATOM 0 HA SER A 118 -5.986 -12.533 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.873 -12.174 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.616 -13.651 2.073 1.00 0.00 H new ATOM 0 HG SER A 118 -9.521 -12.519 2.761 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.904 -13.688 1.461 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.930 -14.185 0.498 1.00 0.00 C ATOM 1444 C HIS A 119 -4.407 -13.916 -0.927 1.00 0.00 C ATOM 1445 O HIS A 119 -5.514 -14.302 -1.302 1.00 0.00 O ATOM 1446 CB HIS A 119 -3.718 -15.686 0.717 1.00 0.00 C ATOM 1447 CG HIS A 119 -2.624 -16.289 -0.110 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.351 -16.497 0.374 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -2.622 -16.754 -1.382 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.615 -17.065 -0.559 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -1.362 -17.234 -1.636 1.00 0.00 N ATOM 0 H HIS A 119 -5.316 -14.414 2.047 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.983 -13.665 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.496 -15.858 1.770 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -4.650 -16.207 0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.456 -16.748 -2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.423 -17.345 -0.461 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -1.052 -17.653 -2.513 1.00 0.00 H new ATOM 1459 N SER A 120 -3.567 -13.248 -1.706 1.00 0.00 N ATOM 1460 CA SER A 120 -3.899 -12.911 -3.083 1.00 0.00 C ATOM 1461 C SER A 120 -4.028 -14.177 -3.924 1.00 0.00 C ATOM 1462 O SER A 120 -3.091 -14.974 -4.008 1.00 0.00 O ATOM 1463 CB SER A 120 -2.822 -11.990 -3.666 1.00 0.00 C ATOM 1464 OG SER A 120 -3.178 -11.526 -4.958 1.00 0.00 O ATOM 0 H SER A 120 -2.646 -12.928 -1.406 1.00 0.00 H new ATOM 0 HA SER A 120 -4.856 -12.390 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.671 -11.139 -3.002 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.874 -12.525 -3.719 1.00 0.00 H new ATOM 0 HG SER A 120 -2.472 -10.940 -5.301 1.00 0.00 H new ATOM 1470 N ARG A 121 -5.191 -14.375 -4.525 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.426 -15.552 -5.346 1.00 0.00 C ATOM 1472 C ARG A 121 -5.733 -15.130 -6.780 1.00 0.00 C ATOM 1473 O ARG A 121 -6.486 -15.792 -7.496 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.580 -16.374 -4.771 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.463 -17.869 -5.032 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.201 -18.442 -4.403 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.123 -19.894 -4.546 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.159 -20.637 -4.010 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.169 -20.057 -3.346 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -4.163 -21.952 -4.156 1.00 0.00 N ATOM 0 H ARG A 121 -5.985 -13.738 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.529 -16.171 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.632 -16.206 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -7.517 -16.013 -5.196 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -7.337 -18.380 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.453 -18.053 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.327 -17.986 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.174 -18.181 -3.345 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.849 -20.364 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.147 -19.042 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.429 -20.626 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.910 -22.404 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.419 -22.513 -3.741 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.145 -14.016 -7.185 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.349 -13.479 -8.524 1.00 0.00 C ATOM 1495 C ASN A 122 -4.122 -13.777 -9.377 1.00 0.00 C ATOM 1496 O ASN A 122 -2.989 -13.717 -8.895 1.00 0.00 O ATOM 1497 CB ASN A 122 -5.614 -11.963 -8.449 1.00 0.00 C ATOM 1498 CG ASN A 122 -6.080 -11.345 -9.765 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.644 -11.724 -10.854 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.993 -10.390 -9.670 1.00 0.00 N ATOM 0 H ASN A 122 -4.518 -13.461 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.218 -13.951 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.368 -11.774 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.701 -11.461 -8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.356 -9.946 -10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -7.333 -10.099 -8.753 1.00 0.00 H new ATOM 1507 N ASP A 123 -4.371 -14.132 -10.637 1.00 0.00 N ATOM 1508 CA ASP A 123 -3.313 -14.457 -11.595 1.00 0.00 C ATOM 1509 C ASP A 123 -2.336 -13.302 -11.748 1.00 0.00 C ATOM 1510 O ASP A 123 -1.144 -13.513 -11.976 1.00 0.00 O ATOM 1511 CB ASP A 123 -3.903 -14.790 -12.968 1.00 0.00 C ATOM 1512 CG ASP A 123 -4.790 -16.016 -12.948 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -5.991 -15.879 -12.630 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -4.294 -17.116 -13.268 1.00 0.00 O ATOM 0 H ASP A 123 -5.312 -14.203 -11.023 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.783 -15.326 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.479 -13.937 -13.326 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.091 -14.947 -13.678 1.00 0.00 H new ATOM 1519 N MET A 124 -2.846 -12.086 -11.637 1.00 0.00 N ATOM 1520 CA MET A 124 -2.003 -10.905 -11.695 1.00 0.00 C ATOM 1521 C MET A 124 -1.884 -10.288 -10.309 1.00 0.00 C ATOM 1522 O MET A 124 -2.867 -10.187 -9.575 1.00 0.00 O ATOM 1523 CB MET A 124 -2.548 -9.861 -12.679 1.00 0.00 C ATOM 1524 CG MET A 124 -3.882 -9.255 -12.268 1.00 0.00 C ATOM 1525 SD MET A 124 -4.193 -7.658 -13.046 1.00 0.00 S ATOM 1526 CE MET A 124 -4.096 -8.098 -14.778 1.00 0.00 C ATOM 0 H MET A 124 -3.839 -11.892 -11.506 1.00 0.00 H new ATOM 0 HA MET A 124 -1.021 -11.217 -12.050 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.815 -9.061 -12.786 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.659 -10.325 -13.659 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.685 -9.944 -12.530 1.00 0.00 H new ATOM 0 HG3 MET A 124 -3.904 -9.137 -11.185 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.440 -7.261 -15.386 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.064 -8.334 -15.036 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.726 -8.967 -14.968 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.684 -9.887 -9.944 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.476 -9.222 -8.674 1.00 0.00 C ATOM 1538 C CYS A 125 0.628 -8.189 -8.814 1.00 0.00 C ATOM 1539 O CYS A 125 1.791 -8.526 -9.048 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.139 -10.233 -7.577 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.091 -9.515 -5.900 1.00 0.00 S ATOM 0 H CYS A 125 0.159 -10.009 -10.505 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.398 -8.718 -8.385 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.876 -11.036 -7.597 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.829 -10.684 -7.797 1.00 0.00 H new ATOM 1546 N HIS A 126 0.250 -6.930 -8.706 1.00 0.00 N ATOM 1547 CA HIS A 126 1.190 -5.838 -8.851 1.00 0.00 C ATOM 1548 C HIS A 126 1.463 -5.214 -7.495 1.00 0.00 C ATOM 1549 O HIS A 126 0.589 -5.196 -6.630 1.00 0.00 O ATOM 1550 CB HIS A 126 0.638 -4.792 -9.824 1.00 0.00 C ATOM 1551 CG HIS A 126 0.506 -5.300 -11.226 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.710 -5.533 -11.832 1.00 0.00 N ATOM 1553 CD2 HIS A 126 1.448 -5.630 -12.139 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.512 -5.985 -13.056 1.00 0.00 C ATOM 1555 NE2 HIS A 126 0.790 -6.054 -13.267 1.00 0.00 N ATOM 0 H HIS A 126 -0.709 -6.638 -8.517 1.00 0.00 H new ATOM 0 HA HIS A 126 2.126 -6.222 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.338 -4.458 -9.472 1.00 0.00 H new ATOM 0 HB3 HIS A 126 1.293 -3.921 -9.821 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -1.622 -5.380 -11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.518 -5.571 -12.006 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.283 -6.253 -13.764 1.00 0.00 H new ATOM 1563 N SER A 127 2.678 -4.731 -7.310 1.00 0.00 N ATOM 1564 CA SER A 127 3.073 -4.121 -6.054 1.00 0.00 C ATOM 1565 C SER A 127 2.405 -2.761 -5.890 1.00 0.00 C ATOM 1566 O SER A 127 2.593 -1.864 -6.718 1.00 0.00 O ATOM 1567 CB SER A 127 4.592 -3.964 -6.017 1.00 0.00 C ATOM 1568 OG SER A 127 5.239 -5.192 -6.321 1.00 0.00 O ATOM 0 H SER A 127 3.412 -4.750 -8.018 1.00 0.00 H new ATOM 0 HA SER A 127 2.755 -4.764 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.900 -3.200 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.902 -3.620 -5.030 1.00 0.00 H new ATOM 0 HG SER A 127 4.861 -5.907 -5.767 1.00 0.00 H new ATOM 1574 N LEU A 128 1.613 -2.612 -4.833 1.00 0.00 N ATOM 1575 CA LEU A 128 0.961 -1.343 -4.559 1.00 0.00 C ATOM 1576 C LEU A 128 2.010 -0.311 -4.169 1.00 0.00 C ATOM 1577 O LEU A 128 2.694 -0.458 -3.157 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.081 -1.485 -3.449 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.967 -0.253 -3.228 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.917 -0.055 -4.402 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.742 -0.378 -1.926 1.00 0.00 C ATOM 0 H LEU A 128 1.410 -3.350 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 128 0.443 -1.015 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.721 -2.337 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.433 -1.716 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.322 0.623 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.536 0.824 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.341 0.085 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.555 -0.933 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.365 0.506 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.374 -1.265 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.044 -0.464 -1.094 1.00 0.00 H new ATOM 1593 N GLY A 129 2.139 0.717 -4.983 1.00 0.00 N ATOM 1594 CA GLY A 129 3.164 1.704 -4.767 1.00 0.00 C ATOM 1595 C GLY A 129 2.605 3.065 -4.458 1.00 0.00 C ATOM 1596 O GLY A 129 1.516 3.424 -4.915 1.00 0.00 O ATOM 0 H GLY A 129 1.547 0.886 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.803 1.383 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.794 1.768 -5.654 1.00 0.00 H new ATOM 1600 N LEU A 130 3.360 3.822 -3.688 1.00 0.00 N ATOM 1601 CA LEU A 130 2.976 5.165 -3.316 1.00 0.00 C ATOM 1602 C LEU A 130 4.151 6.109 -3.534 1.00 0.00 C ATOM 1603 O LEU A 130 5.245 5.885 -3.013 1.00 0.00 O ATOM 1604 CB LEU A 130 2.533 5.192 -1.850 1.00 0.00 C ATOM 1605 CG LEU A 130 2.126 6.566 -1.308 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.907 7.102 -2.042 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.851 6.481 0.185 1.00 0.00 C ATOM 0 H LEU A 130 4.256 3.522 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 130 2.141 5.490 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.691 4.510 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.346 4.805 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 130 2.952 7.257 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.639 8.078 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.135 7.199 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.072 6.414 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.563 7.464 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.043 5.772 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.750 6.146 0.702 1.00 0.00 H new ATOM 1619 N THR A 131 3.934 7.135 -4.337 1.00 0.00 N ATOM 1620 CA THR A 131 4.940 8.158 -4.549 1.00 0.00 C ATOM 1621 C THR A 131 4.500 9.454 -3.886 1.00 0.00 C ATOM 1622 O THR A 131 3.516 10.067 -4.297 1.00 0.00 O ATOM 1623 CB THR A 131 5.189 8.408 -6.051 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.588 7.189 -6.689 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.257 9.473 -6.264 1.00 0.00 C ATOM 0 H THR A 131 3.067 7.281 -4.854 1.00 0.00 H new ATOM 0 HA THR A 131 5.872 7.808 -4.105 1.00 0.00 H new ATOM 0 HB THR A 131 4.259 8.765 -6.493 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.743 7.354 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.410 9.627 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.935 10.408 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.192 9.148 -5.807 1.00 0.00 H new ATOM 1633 N CYS A 132 5.210 9.850 -2.846 1.00 0.00 N ATOM 1634 CA CYS A 132 4.910 11.089 -2.148 1.00 0.00 C ATOM 1635 C CYS A 132 5.808 12.199 -2.681 1.00 0.00 C ATOM 1636 O CYS A 132 6.949 11.939 -3.062 1.00 0.00 O ATOM 1637 CB CYS A 132 5.127 10.912 -0.645 1.00 0.00 C ATOM 1638 SG CYS A 132 4.185 9.534 0.092 1.00 0.00 S ATOM 0 H CYS A 132 6.001 9.331 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 132 3.867 11.356 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.189 10.751 -0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.852 11.837 -0.138 1.00 0.00 H new ATOM 1643 N LEU A 133 5.294 13.425 -2.729 1.00 0.00 N ATOM 1644 CA LEU A 133 6.075 14.549 -3.230 1.00 0.00 C ATOM 1645 C LEU A 133 7.306 14.794 -2.370 1.00 0.00 C ATOM 1646 O LEU A 133 7.200 15.104 -1.181 1.00 0.00 O ATOM 1647 CB LEU A 133 5.228 15.821 -3.296 1.00 0.00 C ATOM 1648 CG LEU A 133 4.186 15.863 -4.416 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.396 17.159 -4.355 1.00 0.00 C ATOM 1650 CD2 LEU A 133 4.853 15.718 -5.776 1.00 0.00 C ATOM 0 H LEU A 133 4.348 13.663 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 133 6.401 14.291 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.715 15.945 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.895 16.675 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 133 3.500 15.027 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.659 17.174 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.887 17.230 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.074 18.004 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.095 15.750 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.561 16.534 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.382 14.766 -5.822 1.00 0.00 H new ATOM 1662 N GLU A 134 8.466 14.625 -2.981 1.00 0.00 N ATOM 1663 CA GLU A 134 9.735 14.901 -2.330 1.00 0.00 C ATOM 1664 C GLU A 134 10.631 15.719 -3.258 1.00 0.00 C ATOM 1665 O GLU A 134 11.371 15.121 -4.067 1.00 0.00 O ATOM 1666 CB GLU A 134 10.429 13.598 -1.912 1.00 0.00 C ATOM 1667 CG GLU A 134 10.355 12.491 -2.952 1.00 0.00 C ATOM 1668 CD GLU A 134 11.281 11.336 -2.640 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.018 10.593 -1.671 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.286 11.165 -3.363 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.561 16.964 -3.205 1.00 0.00 O ATOM 0 H GLU A 134 8.555 14.293 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 134 9.544 15.481 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.476 13.810 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 134 9.980 13.241 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.331 12.124 -3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.607 12.900 -3.931 1.00 0.00 H new