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 57 HIS : no HD1:sc= -0.05 X(o=-0.1,f=-0.075) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -0.054 K(o=-0.1,f=-2.8) USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 115 SER OG : rot -50:sc= 1.34 USER MOD Set 3.1: A 97 LYS NZ :NH3+ -117:sc= 2.14 (180deg=-0.356) USER MOD Set 3.2: A 100 THR OG1 : rot -166:sc= 0.752 USER MOD Set 4.1: A 70 GLN : amide:sc= 0.131 K(o=1.3,f=-2.3) USER MOD Set 4.2: A 91 SER OG : rot 54:sc= 1.19 USER MOD Set 5.1: A 38 THR OG1 : rot 21:sc= -0.0857 USER MOD Set 5.2: A 47 GLN : amide:sc= 2.27 K(o=3.6,f=-1.6!) USER MOD Set 5.3: A 58 MET CE :methyl -163:sc= -0.781 (180deg=-1.48) USER MOD Set 5.4: A 98 THR OG1 : rot -105:sc= 1.23 USER MOD Set 5.5: A 127 SER OG : rot 153:sc= 0.924 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.6!) USER MOD Single : A 40 SER OG : rot -100:sc= -0.119 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 42 SER OG : rot -109:sc= 1.27 USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -0.661 (180deg=-4.2!) USER MOD Single : A 45 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.9!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -1.18! (180deg=-3.02!) USER MOD Single : A 61 SER OG : rot -82:sc= 0.0498 USER MOD Single : A 62 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.43) USER MOD Single : A 63 SER OG : rot 95:sc= 1.59 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0618 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.229 F(o=-1.2,f=-0.23) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -114:sc= -0.968 (180deg=-4.43!) USER MOD Single : A 82 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.66) USER MOD Single : A 85 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.52) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.6) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0483 USER MOD Single : A 104 SER OG : rot 39:sc= -1.98! USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 116 ASN : amide:sc= -0.502 K(o=-0.5,f=-3.7!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.360 -1.466 11.714 1.00 0.00 N ATOM 24 CA LEU A 26 -7.114 -0.876 11.254 1.00 0.00 C ATOM 25 C LEU A 26 -7.381 0.054 10.081 1.00 0.00 C ATOM 26 O LEU A 26 -7.674 -0.396 8.976 1.00 0.00 O ATOM 27 CB LEU A 26 -6.113 -1.958 10.834 1.00 0.00 C ATOM 28 CG LEU A 26 -5.594 -2.856 11.959 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.667 -3.920 11.399 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.870 -2.033 13.016 1.00 0.00 C ATOM 0 HA LEU A 26 -6.684 -0.309 12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.583 -2.588 10.079 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.260 -1.473 10.359 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.448 -3.344 12.428 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.305 -4.551 12.211 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.209 -4.531 10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.820 -3.442 10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.510 -2.692 13.806 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.025 -1.517 12.560 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.557 -1.300 13.440 1.00 0.00 H new ATOM 42 N SER A 27 -7.318 1.346 10.334 1.00 0.00 N ATOM 43 CA SER A 27 -7.470 2.342 9.287 1.00 0.00 C ATOM 44 C SER A 27 -6.212 3.196 9.214 1.00 0.00 C ATOM 45 O SER A 27 -5.430 3.231 10.165 1.00 0.00 O ATOM 46 CB SER A 27 -8.687 3.226 9.574 1.00 0.00 C ATOM 47 OG SER A 27 -9.870 2.453 9.674 1.00 0.00 O ATOM 0 H SER A 27 -7.161 1.735 11.264 1.00 0.00 H new ATOM 0 HA SER A 27 -7.621 1.839 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.529 3.776 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.798 3.965 8.780 1.00 0.00 H new ATOM 0 HG SER A 27 -10.631 3.042 9.859 1.00 0.00 H new ATOM 53 N TRP A 28 -6.015 3.892 8.097 1.00 0.00 N ATOM 54 CA TRP A 28 -4.885 4.809 7.968 1.00 0.00 C ATOM 55 C TRP A 28 -5.151 6.108 8.731 1.00 0.00 C ATOM 56 O TRP A 28 -4.559 7.148 8.451 1.00 0.00 O ATOM 57 CB TRP A 28 -4.555 5.092 6.491 1.00 0.00 C ATOM 58 CG TRP A 28 -5.729 5.497 5.637 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.851 6.173 6.026 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.874 5.263 4.230 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.689 6.356 4.953 1.00 0.00 N ATOM 62 CE2 TRP A 28 -7.109 5.811 3.838 1.00 0.00 C ATOM 63 CE3 TRP A 28 -5.078 4.639 3.264 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -7.566 5.755 2.523 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -5.532 4.586 1.959 1.00 0.00 C ATOM 66 CH2 TRP A 28 -6.765 5.141 1.600 1.00 0.00 C ATOM 0 H TRP A 28 -6.617 3.840 7.275 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.013 4.327 8.411 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.805 5.882 6.448 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.103 4.199 6.059 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.050 6.514 7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.596 6.822 4.982 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.126 4.206 3.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.518 6.181 2.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.925 4.108 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.091 5.083 0.572 1.00 0.00 H new ATOM 77 N TYR A 29 -6.063 6.024 9.692 1.00 0.00 N ATOM 78 CA TYR A 29 -6.364 7.127 10.586 1.00 0.00 C ATOM 79 C TYR A 29 -5.884 6.806 11.996 1.00 0.00 C ATOM 80 O TYR A 29 -5.850 7.677 12.864 1.00 0.00 O ATOM 81 CB TYR A 29 -7.868 7.417 10.603 1.00 0.00 C ATOM 82 CG TYR A 29 -8.285 8.544 9.687 1.00 0.00 C ATOM 83 CD1 TYR A 29 -8.137 8.442 8.310 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.824 9.716 10.204 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.514 9.475 7.474 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.204 10.751 9.375 1.00 0.00 C ATOM 87 CZ TYR A 29 -9.048 10.627 8.012 1.00 0.00 C ATOM 88 OH TYR A 29 -9.427 11.662 7.184 1.00 0.00 O ATOM 0 H TYR A 29 -6.614 5.185 9.871 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.843 8.013 10.223 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.406 6.513 10.318 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.170 7.660 11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.720 7.540 7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.947 9.818 11.272 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.391 9.381 6.405 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.622 11.655 9.793 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.784 12.398 7.723 1.00 0.00 H new ATOM 98 N ASP A 30 -5.514 5.549 12.217 1.00 0.00 N ATOM 99 CA ASP A 30 -5.050 5.105 13.526 1.00 0.00 C ATOM 100 C ASP A 30 -3.608 5.533 13.747 1.00 0.00 C ATOM 101 O ASP A 30 -2.767 5.395 12.858 1.00 0.00 O ATOM 102 CB ASP A 30 -5.168 3.582 13.663 1.00 0.00 C ATOM 103 CG ASP A 30 -6.606 3.108 13.704 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.251 3.038 12.636 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.101 2.799 14.809 1.00 0.00 O ATOM 0 H ASP A 30 -5.527 4.819 11.505 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.682 5.570 14.283 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.656 3.105 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.658 3.263 14.572 1.00 0.00 H new ATOM 110 N PRO A 31 -3.301 6.042 14.948 1.00 0.00 N ATOM 111 CA PRO A 31 -1.970 6.554 15.279 1.00 0.00 C ATOM 112 C PRO A 31 -0.963 5.432 15.502 1.00 0.00 C ATOM 113 O PRO A 31 0.220 5.676 15.737 1.00 0.00 O ATOM 114 CB PRO A 31 -2.209 7.329 16.573 1.00 0.00 C ATOM 115 CG PRO A 31 -3.360 6.638 17.212 1.00 0.00 C ATOM 116 CD PRO A 31 -4.232 6.153 16.086 1.00 0.00 C ATOM 0 HA PRO A 31 -1.547 7.159 14.477 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.328 7.311 17.215 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.436 8.376 16.373 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.021 5.806 17.829 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.908 7.317 17.865 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.694 5.194 16.321 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.041 6.853 15.875 1.00 0.00 H new ATOM 124 N ASP A 32 -1.453 4.203 15.444 1.00 0.00 N ATOM 125 CA ASP A 32 -0.608 3.027 15.601 1.00 0.00 C ATOM 126 C ASP A 32 -0.415 2.314 14.274 1.00 0.00 C ATOM 127 O ASP A 32 0.202 1.250 14.218 1.00 0.00 O ATOM 128 CB ASP A 32 -1.205 2.061 16.625 1.00 0.00 C ATOM 129 CG ASP A 32 -1.013 2.532 18.048 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.802 3.377 18.513 1.00 0.00 O ATOM 131 OD2 ASP A 32 -0.060 2.059 18.707 1.00 0.00 O ATOM 0 H ASP A 32 -2.439 3.993 15.288 1.00 0.00 H new ATOM 0 HA ASP A 32 0.364 3.366 15.960 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.270 1.940 16.427 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.745 1.080 16.505 1.00 0.00 H new ATOM 136 N PHE A 33 -0.934 2.904 13.207 1.00 0.00 N ATOM 137 CA PHE A 33 -0.824 2.307 11.889 1.00 0.00 C ATOM 138 C PHE A 33 0.570 2.543 11.320 1.00 0.00 C ATOM 139 O PHE A 33 0.903 3.653 10.897 1.00 0.00 O ATOM 140 CB PHE A 33 -1.893 2.877 10.949 1.00 0.00 C ATOM 141 CG PHE A 33 -1.885 2.262 9.576 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.267 0.941 9.389 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.498 3.006 8.472 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.260 0.376 8.128 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.491 2.446 7.210 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.873 1.130 7.037 1.00 0.00 C ATOM 0 H PHE A 33 -1.434 3.793 13.230 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.986 1.233 11.978 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.875 2.728 11.398 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.745 3.953 10.856 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.573 0.348 10.238 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.199 4.036 8.601 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.557 -0.654 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.187 3.037 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.869 0.691 6.050 1.00 0.00 H new ATOM 156 N GLN A 34 1.389 1.503 11.348 1.00 0.00 N ATOM 157 CA GLN A 34 2.723 1.571 10.777 1.00 0.00 C ATOM 158 C GLN A 34 2.705 1.117 9.330 1.00 0.00 C ATOM 159 O GLN A 34 2.175 0.054 9.006 1.00 0.00 O ATOM 160 CB GLN A 34 3.716 0.716 11.569 1.00 0.00 C ATOM 161 CG GLN A 34 4.223 1.370 12.843 1.00 0.00 C ATOM 162 CD GLN A 34 5.067 2.611 12.587 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.859 3.342 11.616 1.00 0.00 O ATOM 164 NE2 GLN A 34 6.039 2.850 13.456 1.00 0.00 N ATOM 0 H GLN A 34 1.152 0.601 11.761 1.00 0.00 H new ATOM 0 HA GLN A 34 3.047 2.611 10.827 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.240 -0.231 11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.568 0.482 10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.372 1.640 13.468 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.814 0.646 13.405 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.181 2.223 14.248 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.645 3.661 13.333 1.00 0.00 H new ATOM 173 N ALA A 35 3.282 1.929 8.467 1.00 0.00 N ATOM 174 CA ALA A 35 3.374 1.608 7.059 1.00 0.00 C ATOM 175 C ALA A 35 4.650 2.194 6.491 1.00 0.00 C ATOM 176 O ALA A 35 5.124 3.226 6.965 1.00 0.00 O ATOM 177 CB ALA A 35 2.160 2.137 6.309 1.00 0.00 C ATOM 0 H ALA A 35 3.698 2.825 8.721 1.00 0.00 H new ATOM 0 HA ALA A 35 3.395 0.525 6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.247 1.886 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.256 1.685 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.106 3.220 6.421 1.00 0.00 H new ATOM 183 N ARG A 36 5.210 1.535 5.495 1.00 0.00 N ATOM 184 CA ARG A 36 6.435 1.999 4.882 1.00 0.00 C ATOM 185 C ARG A 36 6.414 1.713 3.399 1.00 0.00 C ATOM 186 O ARG A 36 5.651 0.876 2.923 1.00 0.00 O ATOM 187 CB ARG A 36 7.663 1.328 5.514 1.00 0.00 C ATOM 188 CG ARG A 36 7.810 -0.150 5.168 1.00 0.00 C ATOM 189 CD ARG A 36 9.141 -0.709 5.650 1.00 0.00 C ATOM 190 NE ARG A 36 9.237 -2.150 5.439 1.00 0.00 N ATOM 191 CZ ARG A 36 10.289 -2.887 5.775 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.378 -2.319 6.275 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.266 -4.192 5.574 1.00 0.00 N ATOM 0 H ARG A 36 4.834 0.676 5.094 1.00 0.00 H new ATOM 0 HA ARG A 36 6.504 3.074 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.560 1.857 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.604 1.433 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.993 -0.713 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.729 -0.281 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.955 -0.211 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.264 -0.489 6.710 1.00 0.00 H new ATOM 0 HE ARG A 36 8.444 -2.622 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.412 -1.308 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.181 -2.893 6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.442 -4.630 5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.072 -4.762 5.831 1.00 0.00 H new ATOM 206 N LEU A 37 7.239 2.429 2.678 1.00 0.00 N ATOM 207 CA LEU A 37 7.452 2.156 1.283 1.00 0.00 C ATOM 208 C LEU A 37 8.715 1.328 1.161 1.00 0.00 C ATOM 209 O LEU A 37 9.778 1.740 1.626 1.00 0.00 O ATOM 210 CB LEU A 37 7.553 3.471 0.516 1.00 0.00 C ATOM 211 CG LEU A 37 6.335 4.378 0.694 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.572 5.735 0.066 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.101 3.733 0.093 1.00 0.00 C ATOM 0 H LEU A 37 7.779 3.214 3.041 1.00 0.00 H new ATOM 0 HA LEU A 37 6.620 1.597 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.445 4.006 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.683 3.255 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 37 6.174 4.519 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.690 6.360 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.432 6.209 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.764 5.614 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.243 4.392 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.262 3.561 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.909 2.782 0.589 1.00 0.00 H new ATOM 225 N THR A 38 8.570 0.139 0.593 1.00 0.00 N ATOM 226 CA THR A 38 9.654 -0.834 0.527 1.00 0.00 C ATOM 227 C THR A 38 10.911 -0.229 -0.081 1.00 0.00 C ATOM 228 O THR A 38 10.826 0.712 -0.874 1.00 0.00 O ATOM 229 CB THR A 38 9.244 -2.055 -0.310 1.00 0.00 C ATOM 230 OG1 THR A 38 8.896 -1.621 -1.629 1.00 0.00 O ATOM 231 CG2 THR A 38 8.070 -2.787 0.326 1.00 0.00 C ATOM 0 H THR A 38 7.700 -0.179 0.166 1.00 0.00 H new ATOM 0 HA THR A 38 9.864 -1.142 1.551 1.00 0.00 H new ATOM 0 HB THR A 38 10.084 -2.749 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.295 -0.743 -1.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.801 -3.647 -0.288 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.350 -3.127 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.217 -2.112 0.399 1.00 0.00 H new ATOM 239 N ARG A 39 12.060 -0.804 0.282 1.00 0.00 N ATOM 240 CA ARG A 39 13.369 -0.318 -0.157 1.00 0.00 C ATOM 241 C ARG A 39 13.335 0.049 -1.639 1.00 0.00 C ATOM 242 O ARG A 39 13.492 1.216 -1.988 1.00 0.00 O ATOM 243 CB ARG A 39 14.435 -1.390 0.094 1.00 0.00 C ATOM 244 CG ARG A 39 14.328 -2.058 1.459 1.00 0.00 C ATOM 245 CD ARG A 39 14.532 -1.073 2.601 1.00 0.00 C ATOM 246 NE ARG A 39 15.912 -0.598 2.685 1.00 0.00 N ATOM 247 CZ ARG A 39 16.412 0.048 3.736 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.641 0.322 4.780 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.678 0.432 3.746 1.00 0.00 N ATOM 0 H ARG A 39 12.108 -1.622 0.890 1.00 0.00 H new ATOM 0 HA ARG A 39 13.619 0.576 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.358 -2.153 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.422 -0.937 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.348 -2.526 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.070 -2.853 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.865 -0.222 2.467 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.256 -1.549 3.542 1.00 0.00 H new ATOM 0 HE ARG A 39 16.528 -0.772 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.661 0.037 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.028 0.817 5.584 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.277 0.233 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.055 0.927 4.555 1.00 0.00 H new ATOM 262 N SER A 40 13.107 -0.960 -2.486 1.00 0.00 N ATOM 263 CA SER A 40 12.905 -0.771 -3.926 1.00 0.00 C ATOM 264 C SER A 40 14.002 0.095 -4.557 1.00 0.00 C ATOM 265 O SER A 40 15.047 -0.409 -4.972 1.00 0.00 O ATOM 266 CB SER A 40 11.521 -0.154 -4.185 1.00 0.00 C ATOM 267 OG SER A 40 11.198 -0.161 -5.565 1.00 0.00 O ATOM 0 H SER A 40 13.057 -1.935 -2.191 1.00 0.00 H new ATOM 0 HA SER A 40 12.960 -1.752 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.765 -0.709 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.502 0.870 -3.811 1.00 0.00 H new ATOM 0 HG SER A 40 11.364 0.727 -5.944 1.00 0.00 H new ATOM 273 N ASN A 41 13.760 1.395 -4.615 1.00 0.00 N ATOM 274 CA ASN A 41 14.719 2.338 -5.161 1.00 0.00 C ATOM 275 C ASN A 41 14.931 3.474 -4.171 1.00 0.00 C ATOM 276 O ASN A 41 16.055 3.920 -3.939 1.00 0.00 O ATOM 277 CB ASN A 41 14.223 2.884 -6.501 1.00 0.00 C ATOM 278 CG ASN A 41 15.233 3.797 -7.161 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.214 5.011 -6.965 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.130 3.216 -7.937 1.00 0.00 N ATOM 0 H ASN A 41 12.895 1.824 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 41 15.668 1.829 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.999 2.052 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.292 3.429 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.843 3.778 -8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.109 2.205 -8.072 1.00 0.00 H new ATOM 287 N SER A 42 13.830 3.928 -3.594 1.00 0.00 N ATOM 288 CA SER A 42 13.850 4.934 -2.554 1.00 0.00 C ATOM 289 C SER A 42 12.607 4.745 -1.691 1.00 0.00 C ATOM 290 O SER A 42 11.529 4.453 -2.212 1.00 0.00 O ATOM 291 CB SER A 42 13.885 6.337 -3.163 1.00 0.00 C ATOM 292 OG SER A 42 14.184 7.315 -2.181 1.00 0.00 O ATOM 0 H SER A 42 12.894 3.605 -3.838 1.00 0.00 H new ATOM 0 HA SER A 42 14.745 4.825 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.632 6.374 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.922 6.561 -3.622 1.00 0.00 H new ATOM 0 HG SER A 42 13.383 7.849 -1.997 1.00 0.00 H new ATOM 298 N LYS A 43 12.745 4.915 -0.384 1.00 0.00 N ATOM 299 CA LYS A 43 11.678 4.546 0.543 1.00 0.00 C ATOM 300 C LYS A 43 10.640 5.650 0.705 1.00 0.00 C ATOM 301 O LYS A 43 9.813 5.600 1.614 1.00 0.00 O ATOM 302 CB LYS A 43 12.255 4.155 1.905 1.00 0.00 C ATOM 303 CG LYS A 43 13.184 2.951 1.844 1.00 0.00 C ATOM 304 CD LYS A 43 13.522 2.431 3.230 1.00 0.00 C ATOM 305 CE LYS A 43 14.263 3.463 4.065 1.00 0.00 C ATOM 306 NZ LYS A 43 14.620 2.927 5.406 1.00 0.00 N ATOM 0 H LYS A 43 13.578 5.303 0.059 1.00 0.00 H new ATOM 0 HA LYS A 43 11.169 3.685 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.799 5.004 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.435 3.938 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.714 2.158 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.102 3.226 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.604 2.143 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.132 1.532 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.169 3.772 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.643 4.352 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.397 3.636 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.076 2.060 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.637 2.710 5.434 1.00 0.00 H new ATOM 319 N CYS A 44 10.682 6.644 -0.164 1.00 0.00 N ATOM 320 CA CYS A 44 9.634 7.648 -0.205 1.00 0.00 C ATOM 321 C CYS A 44 8.850 7.503 -1.509 1.00 0.00 C ATOM 322 O CYS A 44 7.926 8.266 -1.799 1.00 0.00 O ATOM 323 CB CYS A 44 10.225 9.052 -0.060 1.00 0.00 C ATOM 324 SG CYS A 44 8.988 10.371 0.191 1.00 0.00 S ATOM 0 H CYS A 44 11.427 6.777 -0.848 1.00 0.00 H new ATOM 0 HA CYS A 44 8.952 7.498 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.918 9.056 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.807 9.282 -0.953 1.00 0.00 H new ATOM 329 N GLN A 45 9.222 6.486 -2.285 1.00 0.00 N ATOM 330 CA GLN A 45 8.524 6.150 -3.516 1.00 0.00 C ATOM 331 C GLN A 45 8.739 4.676 -3.854 1.00 0.00 C ATOM 332 O GLN A 45 9.656 4.313 -4.597 1.00 0.00 O ATOM 333 CB GLN A 45 8.982 7.042 -4.677 1.00 0.00 C ATOM 334 CG GLN A 45 10.491 7.108 -4.863 1.00 0.00 C ATOM 335 CD GLN A 45 10.881 7.295 -6.315 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.166 6.857 -7.216 1.00 0.00 O ATOM 337 NE2 GLN A 45 12.015 7.932 -6.564 1.00 0.00 N ATOM 0 H GLN A 45 10.013 5.877 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 45 7.459 6.327 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.530 6.677 -5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.604 8.051 -4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.893 7.931 -4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.943 6.192 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.583 8.282 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.320 8.073 -7.527 1.00 0.00 H new ATOM 346 N GLY A 46 7.886 3.828 -3.307 1.00 0.00 N ATOM 347 CA GLY A 46 8.061 2.401 -3.471 1.00 0.00 C ATOM 348 C GLY A 46 6.771 1.637 -3.275 1.00 0.00 C ATOM 349 O GLY A 46 5.681 2.203 -3.394 1.00 0.00 O ATOM 0 H GLY A 46 7.075 4.101 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.453 2.198 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.804 2.044 -2.757 1.00 0.00 H new ATOM 353 N GLN A 47 6.896 0.355 -2.969 1.00 0.00 N ATOM 354 CA GLN A 47 5.739 -0.504 -2.771 1.00 0.00 C ATOM 355 C GLN A 47 5.176 -0.283 -1.373 1.00 0.00 C ATOM 356 O GLN A 47 5.933 -0.215 -0.403 1.00 0.00 O ATOM 357 CB GLN A 47 6.144 -1.968 -2.955 1.00 0.00 C ATOM 358 CG GLN A 47 7.033 -2.198 -4.168 1.00 0.00 C ATOM 359 CD GLN A 47 7.601 -3.601 -4.223 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.040 -4.489 -4.861 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.705 -3.822 -3.528 1.00 0.00 N ATOM 0 H GLN A 47 7.793 -0.116 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 47 4.972 -0.258 -3.506 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.666 -2.309 -2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.245 -2.577 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.459 -2.008 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.853 -1.480 -4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.143 -3.060 -3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.118 -4.754 -3.510 1.00 0.00 H new ATOM 370 N LEU A 48 3.861 -0.150 -1.270 1.00 0.00 N ATOM 371 CA LEU A 48 3.221 0.099 0.012 1.00 0.00 C ATOM 372 C LEU A 48 3.246 -1.153 0.875 1.00 0.00 C ATOM 373 O LEU A 48 2.528 -2.120 0.615 1.00 0.00 O ATOM 374 CB LEU A 48 1.778 0.574 -0.184 1.00 0.00 C ATOM 375 CG LEU A 48 1.016 0.901 1.104 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.661 2.069 1.834 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.437 1.208 0.794 1.00 0.00 C ATOM 0 H LEU A 48 3.218 -0.211 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 48 3.779 0.886 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.788 1.462 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.230 -0.197 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 48 1.058 0.028 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.102 2.282 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.689 1.815 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.655 2.949 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.966 1.438 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.493 2.064 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.898 0.342 0.318 1.00 0.00 H new ATOM 389 N GLU A 49 4.083 -1.130 1.894 1.00 0.00 N ATOM 390 CA GLU A 49 4.189 -2.240 2.816 1.00 0.00 C ATOM 391 C GLU A 49 3.660 -1.815 4.173 1.00 0.00 C ATOM 392 O GLU A 49 4.148 -0.855 4.769 1.00 0.00 O ATOM 393 CB GLU A 49 5.639 -2.718 2.923 1.00 0.00 C ATOM 394 CG GLU A 49 5.790 -4.055 3.626 1.00 0.00 C ATOM 395 CD GLU A 49 7.155 -4.676 3.422 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.155 -4.090 3.881 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.237 -5.753 2.794 1.00 0.00 O ATOM 0 H GLU A 49 4.703 -0.348 2.104 1.00 0.00 H new ATOM 0 HA GLU A 49 3.593 -3.074 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.062 -2.794 1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.221 -1.968 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.613 -3.921 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.026 -4.741 3.260 1.00 0.00 H new ATOM 404 N VAL A 50 2.652 -2.519 4.648 1.00 0.00 N ATOM 405 CA VAL A 50 2.003 -2.165 5.898 1.00 0.00 C ATOM 406 C VAL A 50 2.394 -3.136 6.998 1.00 0.00 C ATOM 407 O VAL A 50 2.673 -4.310 6.735 1.00 0.00 O ATOM 408 CB VAL A 50 0.461 -2.129 5.759 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.038 -1.075 4.744 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.089 -3.495 5.369 1.00 0.00 C ATOM 0 H VAL A 50 2.263 -3.342 4.187 1.00 0.00 H new ATOM 0 HA VAL A 50 2.342 -1.163 6.161 1.00 0.00 H new ATOM 0 HB VAL A 50 0.045 -1.863 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.049 -1.065 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.386 -0.095 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.474 -1.309 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.174 -3.438 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.339 -3.800 4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.174 -4.225 6.134 1.00 0.00 H new ATOM 420 N TYR A 51 2.436 -2.642 8.223 1.00 0.00 N ATOM 421 CA TYR A 51 2.783 -3.472 9.358 1.00 0.00 C ATOM 422 C TYR A 51 1.527 -3.955 10.056 1.00 0.00 C ATOM 423 O TYR A 51 0.869 -3.201 10.773 1.00 0.00 O ATOM 424 CB TYR A 51 3.669 -2.710 10.350 1.00 0.00 C ATOM 425 CG TYR A 51 4.153 -3.563 11.504 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.219 -4.439 11.345 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.536 -3.503 12.750 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.658 -5.227 12.391 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.969 -4.290 13.800 1.00 0.00 C ATOM 430 CZ TYR A 51 5.029 -5.148 13.614 1.00 0.00 C ATOM 431 OH TYR A 51 5.462 -5.935 14.658 1.00 0.00 O ATOM 0 H TYR A 51 2.234 -1.670 8.455 1.00 0.00 H new ATOM 0 HA TYR A 51 3.343 -4.331 8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.532 -2.307 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.112 -1.860 10.745 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.713 -4.505 10.387 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.705 -2.830 12.899 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.490 -5.901 12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.479 -4.232 14.761 1.00 0.00 H new ATOM 0 HH TYR A 51 4.913 -5.758 15.451 1.00 0.00 H new ATOM 441 N LEU A 52 1.192 -5.211 9.826 1.00 0.00 N ATOM 442 CA LEU A 52 0.091 -5.837 10.528 1.00 0.00 C ATOM 443 C LEU A 52 0.638 -6.480 11.796 1.00 0.00 C ATOM 444 O LEU A 52 1.842 -6.403 12.051 1.00 0.00 O ATOM 445 CB LEU A 52 -0.595 -6.887 9.642 1.00 0.00 C ATOM 446 CG LEU A 52 -1.071 -6.391 8.272 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.587 -7.555 7.439 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.152 -5.331 8.427 1.00 0.00 C ATOM 0 H LEU A 52 1.668 -5.817 9.158 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.658 -5.087 10.783 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.098 -7.714 9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.454 -7.286 10.182 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.222 -5.941 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.922 -7.188 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.788 -8.282 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.422 -8.030 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.475 -4.994 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.002 -5.754 8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.754 -4.485 8.988 1.00 0.00 H new ATOM 460 N LYS A 53 -0.212 -7.120 12.583 1.00 0.00 N ATOM 461 CA LYS A 53 0.251 -7.802 13.785 1.00 0.00 C ATOM 462 C LYS A 53 1.263 -8.879 13.404 1.00 0.00 C ATOM 463 O LYS A 53 2.215 -9.156 14.136 1.00 0.00 O ATOM 464 CB LYS A 53 -0.930 -8.435 14.530 1.00 0.00 C ATOM 465 CG LYS A 53 -0.538 -9.109 15.836 1.00 0.00 C ATOM 466 CD LYS A 53 -1.688 -9.894 16.450 1.00 0.00 C ATOM 467 CE LYS A 53 -1.850 -11.275 15.818 1.00 0.00 C ATOM 468 NZ LYS A 53 -2.310 -11.218 14.401 1.00 0.00 N ATOM 0 H LYS A 53 -1.216 -7.183 12.416 1.00 0.00 H new ATOM 0 HA LYS A 53 0.726 -7.074 14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.672 -7.664 14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.406 -9.170 13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.302 -9.780 15.658 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.198 -8.353 16.544 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.518 -10.005 17.521 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.614 -9.331 16.330 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.898 -11.803 15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.564 -11.854 16.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.812 -12.097 14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.951 -10.409 14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.488 -11.108 13.773 1.00 0.00 H new ATOM 481 N ASP A 54 1.059 -9.445 12.222 1.00 0.00 N ATOM 482 CA ASP A 54 1.855 -10.567 11.744 1.00 0.00 C ATOM 483 C ASP A 54 3.100 -10.117 10.975 1.00 0.00 C ATOM 484 O ASP A 54 3.798 -10.945 10.386 1.00 0.00 O ATOM 485 CB ASP A 54 0.997 -11.475 10.860 1.00 0.00 C ATOM 486 CG ASP A 54 -0.167 -12.080 11.621 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.206 -11.397 11.772 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.042 -13.231 12.080 1.00 0.00 O ATOM 0 H ASP A 54 0.338 -9.140 11.568 1.00 0.00 H new ATOM 0 HA ASP A 54 2.198 -11.116 12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.617 -10.902 10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.617 -12.274 10.452 1.00 0.00 H new ATOM 493 N GLY A 55 3.377 -8.818 10.968 1.00 0.00 N ATOM 494 CA GLY A 55 4.601 -8.333 10.351 1.00 0.00 C ATOM 495 C GLY A 55 4.355 -7.437 9.152 1.00 0.00 C ATOM 496 O GLY A 55 3.217 -7.047 8.882 1.00 0.00 O ATOM 0 H GLY A 55 2.782 -8.096 11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.181 -7.784 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.206 -9.185 10.041 1.00 0.00 H new ATOM 500 N TRP A 56 5.428 -7.119 8.434 1.00 0.00 N ATOM 501 CA TRP A 56 5.354 -6.253 7.262 1.00 0.00 C ATOM 502 C TRP A 56 4.884 -7.042 6.049 1.00 0.00 C ATOM 503 O TRP A 56 5.416 -8.113 5.758 1.00 0.00 O ATOM 504 CB TRP A 56 6.722 -5.626 6.959 1.00 0.00 C ATOM 505 CG TRP A 56 7.163 -4.609 7.968 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.063 -4.790 8.980 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.727 -3.248 8.057 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.208 -3.624 9.693 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.399 -2.666 9.147 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.831 -2.466 7.324 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.204 -1.340 9.519 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.640 -1.152 7.695 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.321 -0.599 8.783 1.00 0.00 C ATOM 0 H TRP A 56 6.368 -7.452 8.647 1.00 0.00 H new ATOM 0 HA TRP A 56 4.639 -5.459 7.478 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.469 -6.418 6.906 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.685 -5.156 5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.584 -5.713 9.189 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.820 -3.494 10.499 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.298 -2.883 6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.731 -0.911 10.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.951 -0.538 7.134 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.147 0.433 9.048 1.00 0.00 H new ATOM 524 N HIS A 57 3.881 -6.523 5.357 1.00 0.00 N ATOM 525 CA HIS A 57 3.376 -7.163 4.147 1.00 0.00 C ATOM 526 C HIS A 57 3.050 -6.118 3.088 1.00 0.00 C ATOM 527 O HIS A 57 2.538 -5.043 3.409 1.00 0.00 O ATOM 528 CB HIS A 57 2.130 -7.997 4.452 1.00 0.00 C ATOM 529 CG HIS A 57 2.396 -9.194 5.311 1.00 0.00 C ATOM 530 ND1 HIS A 57 3.272 -10.197 4.958 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.899 -9.542 6.522 1.00 0.00 C ATOM 532 CE1 HIS A 57 3.303 -11.109 5.909 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.478 -10.737 6.872 1.00 0.00 N ATOM 0 H HIS A 57 3.399 -5.661 5.611 1.00 0.00 H new ATOM 0 HA HIS A 57 4.154 -7.824 3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.393 -7.364 4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.687 -8.328 3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.181 -8.984 7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.901 -12.008 5.902 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.300 -11.253 7.734 1.00 0.00 H new ATOM 541 N MET A 58 3.339 -6.436 1.832 1.00 0.00 N ATOM 542 CA MET A 58 3.125 -5.490 0.742 1.00 0.00 C ATOM 543 C MET A 58 1.694 -5.589 0.237 1.00 0.00 C ATOM 544 O MET A 58 1.168 -6.687 0.066 1.00 0.00 O ATOM 545 CB MET A 58 4.093 -5.751 -0.418 1.00 0.00 C ATOM 546 CG MET A 58 5.562 -5.688 -0.033 1.00 0.00 C ATOM 547 SD MET A 58 6.657 -5.764 -1.464 1.00 0.00 S ATOM 548 CE MET A 58 6.058 -7.242 -2.280 1.00 0.00 C ATOM 0 H MET A 58 3.720 -7.337 1.543 1.00 0.00 H new ATOM 0 HA MET A 58 3.310 -4.488 1.129 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.881 -6.734 -0.838 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.904 -5.021 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.751 -4.765 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.793 -6.513 0.641 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.804 -7.591 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.876 -8.019 -1.538 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.130 -7.017 -2.805 1.00 0.00 H new ATOM 558 N VAL A 59 1.071 -4.446 -0.004 1.00 0.00 N ATOM 559 CA VAL A 59 -0.306 -4.413 -0.475 1.00 0.00 C ATOM 560 C VAL A 59 -0.361 -4.612 -1.987 1.00 0.00 C ATOM 561 O VAL A 59 0.314 -3.911 -2.738 1.00 0.00 O ATOM 562 CB VAL A 59 -1.007 -3.081 -0.106 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.437 -3.054 -0.630 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.993 -2.864 1.402 1.00 0.00 C ATOM 0 H VAL A 59 1.497 -3.527 0.119 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.834 -5.228 0.020 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.453 -2.270 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.907 -2.109 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.429 -3.156 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.000 -3.878 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.490 -1.923 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.516 -3.685 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.038 -2.829 1.755 1.00 0.00 H new ATOM 574 N CYS A 60 -1.144 -5.586 -2.426 1.00 0.00 N ATOM 575 CA CYS A 60 -1.347 -5.820 -3.849 1.00 0.00 C ATOM 576 C CYS A 60 -2.347 -4.807 -4.391 1.00 0.00 C ATOM 577 O CYS A 60 -3.299 -4.431 -3.703 1.00 0.00 O ATOM 578 CB CYS A 60 -1.852 -7.247 -4.092 1.00 0.00 C ATOM 579 SG CYS A 60 -2.230 -7.621 -5.839 1.00 0.00 S ATOM 0 H CYS A 60 -1.650 -6.228 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.396 -5.702 -4.369 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.101 -7.952 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.750 -7.409 -3.495 1.00 0.00 H new ATOM 584 N SER A 61 -2.114 -4.364 -5.625 1.00 0.00 N ATOM 585 CA SER A 61 -2.933 -3.338 -6.258 1.00 0.00 C ATOM 586 C SER A 61 -4.391 -3.771 -6.395 1.00 0.00 C ATOM 587 O SER A 61 -5.274 -2.936 -6.542 1.00 0.00 O ATOM 588 CB SER A 61 -2.361 -3.014 -7.638 1.00 0.00 C ATOM 589 OG SER A 61 -2.277 -4.186 -8.438 1.00 0.00 O ATOM 0 H SER A 61 -1.353 -4.707 -6.211 1.00 0.00 H new ATOM 0 HA SER A 61 -2.912 -2.453 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.991 -2.275 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.371 -2.570 -7.531 1.00 0.00 H new ATOM 0 HG SER A 61 -1.461 -4.679 -8.211 1.00 0.00 H new ATOM 595 N GLN A 62 -4.629 -5.078 -6.334 1.00 0.00 N ATOM 596 CA GLN A 62 -5.963 -5.632 -6.529 1.00 0.00 C ATOM 597 C GLN A 62 -6.690 -5.749 -5.186 1.00 0.00 C ATOM 598 O GLN A 62 -7.346 -6.749 -4.901 1.00 0.00 O ATOM 599 CB GLN A 62 -5.852 -7.008 -7.202 1.00 0.00 C ATOM 600 CG GLN A 62 -7.139 -7.506 -7.847 1.00 0.00 C ATOM 601 CD GLN A 62 -7.580 -6.645 -9.014 1.00 0.00 C ATOM 602 OE1 GLN A 62 -8.365 -5.711 -8.857 1.00 0.00 O ATOM 603 NE2 GLN A 62 -7.063 -6.946 -10.197 1.00 0.00 N ATOM 0 H GLN A 62 -3.909 -5.777 -6.150 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.539 -4.967 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.073 -6.963 -7.964 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.529 -7.736 -6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.996 -8.530 -8.191 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.931 -7.529 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.415 -7.729 -10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.313 -6.395 -11.018 1.00 0.00 H new ATOM 612 N SER A 63 -6.561 -4.723 -4.356 1.00 0.00 N ATOM 613 CA SER A 63 -7.203 -4.717 -3.051 1.00 0.00 C ATOM 614 C SER A 63 -8.458 -3.855 -3.077 1.00 0.00 C ATOM 615 O SER A 63 -8.553 -2.913 -3.864 1.00 0.00 O ATOM 616 CB SER A 63 -6.234 -4.201 -1.980 1.00 0.00 C ATOM 617 OG SER A 63 -5.158 -5.106 -1.788 1.00 0.00 O ATOM 0 H SER A 63 -6.018 -3.885 -4.564 1.00 0.00 H new ATOM 0 HA SER A 63 -7.487 -5.740 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.846 -3.226 -2.275 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.767 -4.060 -1.040 1.00 0.00 H new ATOM 0 HG SER A 63 -4.398 -4.833 -2.344 1.00 0.00 H new ATOM 623 N TRP A 64 -9.410 -4.184 -2.207 1.00 0.00 N ATOM 624 CA TRP A 64 -10.668 -3.454 -2.107 1.00 0.00 C ATOM 625 C TRP A 64 -11.350 -3.399 -3.471 1.00 0.00 C ATOM 626 O TRP A 64 -11.380 -4.394 -4.198 1.00 0.00 O ATOM 627 CB TRP A 64 -10.425 -2.034 -1.569 1.00 0.00 C ATOM 628 CG TRP A 64 -9.586 -1.999 -0.326 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.934 -2.437 0.921 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.253 -1.486 -0.212 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.896 -2.231 1.798 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.854 -1.650 1.127 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.357 -0.907 -1.117 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.599 -1.255 1.583 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.112 -0.516 -0.660 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.745 -0.693 0.678 1.00 0.00 C ATOM 0 H TRP A 64 -9.330 -4.963 -1.553 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.322 -3.977 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.939 -1.440 -2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.386 -1.563 -1.362 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.885 -2.880 1.179 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.901 -2.472 2.789 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.632 -0.768 -2.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.311 -1.388 2.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.411 -0.066 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.764 -0.378 1.003 1.00 0.00 H new ATOM 647 N GLY A 65 -11.890 -2.243 -3.813 1.00 0.00 N ATOM 648 CA GLY A 65 -12.453 -2.046 -5.134 1.00 0.00 C ATOM 649 C GLY A 65 -11.479 -1.347 -6.064 1.00 0.00 C ATOM 650 O GLY A 65 -11.883 -0.678 -7.013 1.00 0.00 O ATOM 0 H GLY A 65 -11.950 -1.432 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.731 -3.011 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.367 -1.457 -5.055 1.00 0.00 H new ATOM 654 N ARG A 66 -10.192 -1.507 -5.793 1.00 0.00 N ATOM 655 CA ARG A 66 -9.160 -0.843 -6.572 1.00 0.00 C ATOM 656 C ARG A 66 -8.687 -1.748 -7.700 1.00 0.00 C ATOM 657 O ARG A 66 -8.060 -2.776 -7.462 1.00 0.00 O ATOM 658 CB ARG A 66 -7.973 -0.463 -5.683 1.00 0.00 C ATOM 659 CG ARG A 66 -8.334 0.466 -4.534 1.00 0.00 C ATOM 660 CD ARG A 66 -8.525 1.903 -5.000 1.00 0.00 C ATOM 661 NE ARG A 66 -7.263 2.515 -5.422 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.919 3.772 -5.143 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.730 4.540 -4.433 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.758 4.263 -5.557 1.00 0.00 N ATOM 0 H ARG A 66 -9.838 -2.093 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.586 0.066 -6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.531 -1.373 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.210 0.015 -6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.249 0.115 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.548 0.431 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.233 1.924 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.961 2.491 -4.192 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.610 1.946 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.620 4.170 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.465 5.502 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.119 3.677 -6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.505 5.226 -5.338 1.00 0.00 H new ATOM 677 N SER A 67 -9.020 -1.371 -8.923 1.00 0.00 N ATOM 678 CA SER A 67 -8.551 -2.082 -10.101 1.00 0.00 C ATOM 679 C SER A 67 -7.058 -1.835 -10.300 1.00 0.00 C ATOM 680 O SER A 67 -6.491 -0.917 -9.703 1.00 0.00 O ATOM 681 CB SER A 67 -9.333 -1.615 -11.328 1.00 0.00 C ATOM 682 OG SER A 67 -10.730 -1.720 -11.105 1.00 0.00 O ATOM 0 H SER A 67 -9.618 -0.570 -9.127 1.00 0.00 H new ATOM 0 HA SER A 67 -8.712 -3.151 -9.964 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.074 -0.582 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.052 -2.215 -12.194 1.00 0.00 H new ATOM 0 HG SER A 67 -11.212 -1.415 -11.902 1.00 0.00 H new ATOM 688 N SER A 68 -6.431 -2.650 -11.142 1.00 0.00 N ATOM 689 CA SER A 68 -4.997 -2.562 -11.387 1.00 0.00 C ATOM 690 C SER A 68 -4.643 -1.355 -12.263 1.00 0.00 C ATOM 691 O SER A 68 -4.159 -1.498 -13.388 1.00 0.00 O ATOM 692 CB SER A 68 -4.512 -3.864 -12.023 1.00 0.00 C ATOM 693 OG SER A 68 -5.452 -4.350 -12.971 1.00 0.00 O ATOM 0 H SER A 68 -6.900 -3.386 -11.671 1.00 0.00 H new ATOM 0 HA SER A 68 -4.490 -2.417 -10.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.551 -3.699 -12.510 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.351 -4.613 -11.248 1.00 0.00 H new ATOM 0 HG SER A 68 -5.118 -5.183 -13.365 1.00 0.00 H new ATOM 699 N LYS A 69 -4.891 -0.174 -11.724 1.00 0.00 N ATOM 700 CA LYS A 69 -4.594 1.079 -12.397 1.00 0.00 C ATOM 701 C LYS A 69 -4.481 2.178 -11.345 1.00 0.00 C ATOM 702 O LYS A 69 -4.870 1.977 -10.194 1.00 0.00 O ATOM 703 CB LYS A 69 -5.707 1.418 -13.402 1.00 0.00 C ATOM 704 CG LYS A 69 -5.404 2.627 -14.280 1.00 0.00 C ATOM 705 CD LYS A 69 -6.613 3.059 -15.099 1.00 0.00 C ATOM 706 CE LYS A 69 -7.017 2.010 -16.122 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.125 2.497 -16.990 1.00 0.00 N ATOM 0 H LYS A 69 -5.307 -0.057 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.656 0.993 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.881 0.552 -14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.632 1.602 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.076 3.456 -13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.579 2.389 -14.951 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.452 3.254 -14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.388 3.995 -15.610 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.157 1.751 -16.739 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.328 1.100 -15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.378 1.759 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.953 2.721 -16.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.819 3.352 -17.497 1.00 0.00 H new ATOM 720 N GLN A 70 -3.924 3.317 -11.721 1.00 0.00 N ATOM 721 CA GLN A 70 -3.864 4.458 -10.822 1.00 0.00 C ATOM 722 C GLN A 70 -5.219 5.163 -10.782 1.00 0.00 C ATOM 723 O GLN A 70 -5.878 5.316 -11.810 1.00 0.00 O ATOM 724 CB GLN A 70 -2.767 5.437 -11.253 1.00 0.00 C ATOM 725 CG GLN A 70 -2.625 6.637 -10.325 1.00 0.00 C ATOM 726 CD GLN A 70 -1.526 7.590 -10.753 1.00 0.00 C ATOM 727 OE1 GLN A 70 -0.901 8.246 -9.920 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.282 7.677 -12.049 1.00 0.00 N ATOM 0 H GLN A 70 -3.508 3.476 -12.639 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.621 4.097 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.815 4.907 -11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.982 5.791 -12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.572 7.176 -10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.420 6.285 -9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.822 7.117 -12.708 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.554 8.305 -12.390 1.00 0.00 H new ATOM 737 N TRP A 71 -5.630 5.584 -9.595 1.00 0.00 N ATOM 738 CA TRP A 71 -6.922 6.232 -9.421 1.00 0.00 C ATOM 739 C TRP A 71 -6.732 7.710 -9.099 1.00 0.00 C ATOM 740 O TRP A 71 -5.696 8.106 -8.562 1.00 0.00 O ATOM 741 CB TRP A 71 -7.729 5.532 -8.323 1.00 0.00 C ATOM 742 CG TRP A 71 -8.111 4.125 -8.680 1.00 0.00 C ATOM 743 CD1 TRP A 71 -7.313 3.019 -8.625 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.386 3.676 -9.153 1.00 0.00 C ATOM 745 NE1 TRP A 71 -8.010 1.911 -9.035 1.00 0.00 N ATOM 746 CE2 TRP A 71 -9.286 2.288 -9.364 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.602 4.313 -9.417 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -10.357 1.528 -9.826 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.664 3.555 -9.876 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.535 2.177 -10.077 1.00 0.00 C ATOM 0 H TRP A 71 -5.087 5.488 -8.737 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.482 6.154 -10.353 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.146 5.521 -7.402 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.632 6.108 -8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.282 3.017 -8.305 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.639 0.962 -9.087 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.710 5.377 -9.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.261 0.463 -9.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.609 4.035 -10.083 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.383 1.614 -10.438 1.00 0.00 H new ATOM 761 N GLU A 72 -7.747 8.514 -9.404 1.00 0.00 N ATOM 762 CA GLU A 72 -7.625 9.971 -9.353 1.00 0.00 C ATOM 763 C GLU A 72 -7.831 10.537 -7.949 1.00 0.00 C ATOM 764 O GLU A 72 -8.465 11.582 -7.780 1.00 0.00 O ATOM 765 CB GLU A 72 -8.621 10.618 -10.315 1.00 0.00 C ATOM 766 CG GLU A 72 -8.344 10.312 -11.780 1.00 0.00 C ATOM 767 CD GLU A 72 -6.911 10.607 -12.173 1.00 0.00 C ATOM 768 OE1 GLU A 72 -6.482 11.775 -12.049 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.213 9.677 -12.616 1.00 0.00 O ATOM 0 H GLU A 72 -8.668 8.181 -9.690 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.604 10.208 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.626 10.278 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.604 11.698 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.562 9.262 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.017 10.900 -12.404 1.00 0.00 H new ATOM 776 N ASP A 73 -7.290 9.856 -6.951 1.00 0.00 N ATOM 777 CA ASP A 73 -7.304 10.356 -5.579 1.00 0.00 C ATOM 778 C ASP A 73 -6.271 9.612 -4.736 1.00 0.00 C ATOM 779 O ASP A 73 -6.615 8.750 -3.929 1.00 0.00 O ATOM 780 CB ASP A 73 -8.692 10.220 -4.943 1.00 0.00 C ATOM 781 CG ASP A 73 -8.814 10.984 -3.632 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.784 11.457 -3.104 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.950 11.124 -3.130 1.00 0.00 O ATOM 0 H ASP A 73 -6.833 8.951 -7.063 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.051 11.416 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.445 10.584 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.904 9.166 -4.766 1.00 0.00 H new ATOM 788 N PRO A 74 -4.979 9.916 -4.934 1.00 0.00 N ATOM 789 CA PRO A 74 -3.901 9.329 -4.149 1.00 0.00 C ATOM 790 C PRO A 74 -3.691 10.072 -2.836 1.00 0.00 C ATOM 791 O PRO A 74 -2.980 9.605 -1.948 1.00 0.00 O ATOM 792 CB PRO A 74 -2.668 9.477 -5.055 1.00 0.00 C ATOM 793 CG PRO A 74 -3.142 10.177 -6.293 1.00 0.00 C ATOM 794 CD PRO A 74 -4.448 10.830 -5.944 1.00 0.00 C ATOM 0 HA PRO A 74 -4.110 8.296 -3.870 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.886 10.051 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.243 8.503 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.414 10.919 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.269 9.470 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.309 11.837 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.108 10.913 -6.808 1.00 0.00 H new ATOM 802 N SER A 75 -4.348 11.218 -2.709 1.00 0.00 N ATOM 803 CA SER A 75 -4.176 12.088 -1.558 1.00 0.00 C ATOM 804 C SER A 75 -4.827 11.503 -0.303 1.00 0.00 C ATOM 805 O SER A 75 -4.681 12.047 0.791 1.00 0.00 O ATOM 806 CB SER A 75 -4.746 13.470 -1.871 1.00 0.00 C ATOM 807 OG SER A 75 -4.120 14.021 -3.023 1.00 0.00 O ATOM 0 H SER A 75 -5.012 11.568 -3.400 1.00 0.00 H new ATOM 0 HA SER A 75 -3.109 12.177 -1.352 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.821 13.397 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.597 14.132 -1.018 1.00 0.00 H new ATOM 0 HG SER A 75 -4.499 14.905 -3.210 1.00 0.00 H new ATOM 813 N GLN A 76 -5.532 10.387 -0.461 1.00 0.00 N ATOM 814 CA GLN A 76 -6.123 9.687 0.674 1.00 0.00 C ATOM 815 C GLN A 76 -5.052 8.985 1.504 1.00 0.00 C ATOM 816 O GLN A 76 -5.302 8.567 2.631 1.00 0.00 O ATOM 817 CB GLN A 76 -7.166 8.675 0.196 1.00 0.00 C ATOM 818 CG GLN A 76 -8.468 9.324 -0.241 1.00 0.00 C ATOM 819 CD GLN A 76 -9.174 10.044 0.895 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.034 9.530 2.110 1.00 0.00 O flip ATOM 821 NE2 GLN A 76 -9.849 11.052 0.679 1.00 0.00 N flip ATOM 0 H GLN A 76 -5.708 9.948 -1.365 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.614 10.428 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.755 8.103 -0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.371 7.967 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.265 10.032 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.130 8.561 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.932 11.416 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.325 11.522 1.449 1.00 0.00 H new ATOM 830 N ALA A 77 -3.856 8.870 0.947 1.00 0.00 N ATOM 831 CA ALA A 77 -2.746 8.236 1.648 1.00 0.00 C ATOM 832 C ALA A 77 -1.826 9.283 2.268 1.00 0.00 C ATOM 833 O ALA A 77 -0.640 9.037 2.489 1.00 0.00 O ATOM 834 CB ALA A 77 -1.971 7.334 0.699 1.00 0.00 C ATOM 0 H ALA A 77 -3.628 9.207 0.012 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.152 7.625 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.145 6.867 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.634 6.562 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.579 7.927 -0.127 1.00 0.00 H new ATOM 840 N SER A 78 -2.398 10.443 2.565 1.00 0.00 N ATOM 841 CA SER A 78 -1.653 11.571 3.104 1.00 0.00 C ATOM 842 C SER A 78 -0.915 11.204 4.391 1.00 0.00 C ATOM 843 O SER A 78 0.299 11.395 4.495 1.00 0.00 O ATOM 844 CB SER A 78 -2.616 12.731 3.358 1.00 0.00 C ATOM 845 OG SER A 78 -3.774 12.279 4.045 1.00 0.00 O ATOM 0 H SER A 78 -3.393 10.627 2.438 1.00 0.00 H new ATOM 0 HA SER A 78 -0.899 11.865 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.117 13.503 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.903 13.186 2.410 1.00 0.00 H new ATOM 0 HG SER A 78 -4.378 13.035 4.200 1.00 0.00 H new ATOM 851 N LYS A 79 -1.647 10.661 5.360 1.00 0.00 N ATOM 852 CA LYS A 79 -1.074 10.332 6.661 1.00 0.00 C ATOM 853 C LYS A 79 0.015 9.266 6.536 1.00 0.00 C ATOM 854 O LYS A 79 0.950 9.238 7.332 1.00 0.00 O ATOM 855 CB LYS A 79 -2.172 9.875 7.635 1.00 0.00 C ATOM 856 CG LYS A 79 -1.677 9.643 9.059 1.00 0.00 C ATOM 857 CD LYS A 79 -2.811 9.272 10.006 1.00 0.00 C ATOM 858 CE LYS A 79 -3.826 10.398 10.143 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.926 10.053 11.086 1.00 0.00 N ATOM 0 H LYS A 79 -2.638 10.440 5.268 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.611 11.234 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.963 10.625 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.616 8.953 7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.931 8.848 9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.182 10.544 9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.311 8.375 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.401 9.031 10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.321 11.299 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.247 10.626 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.823 9.985 10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.720 9.141 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.005 10.792 11.813 1.00 0.00 H new ATOM 872 N VAL A 80 -0.088 8.415 5.518 1.00 0.00 N ATOM 873 CA VAL A 80 0.919 7.386 5.287 1.00 0.00 C ATOM 874 C VAL A 80 2.266 8.029 4.970 1.00 0.00 C ATOM 875 O VAL A 80 3.281 7.700 5.587 1.00 0.00 O ATOM 876 CB VAL A 80 0.520 6.429 4.139 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.649 5.453 3.832 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.755 5.673 4.490 1.00 0.00 C ATOM 0 H VAL A 80 -0.854 8.418 4.844 1.00 0.00 H new ATOM 0 HA VAL A 80 0.995 6.798 6.202 1.00 0.00 H new ATOM 0 HB VAL A 80 0.333 7.028 3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.346 4.790 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.539 6.008 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.871 4.862 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.019 5.005 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.594 5.089 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.565 6.383 4.655 1.00 0.00 H new ATOM 888 N CYS A 81 2.263 8.966 4.028 1.00 0.00 N ATOM 889 CA CYS A 81 3.478 9.683 3.666 1.00 0.00 C ATOM 890 C CYS A 81 3.999 10.481 4.857 1.00 0.00 C ATOM 891 O CYS A 81 5.207 10.612 5.044 1.00 0.00 O ATOM 892 CB CYS A 81 3.230 10.612 2.470 1.00 0.00 C ATOM 893 SG CYS A 81 2.540 9.776 1.006 1.00 0.00 S ATOM 0 H CYS A 81 1.434 9.246 3.503 1.00 0.00 H new ATOM 0 HA CYS A 81 4.232 8.950 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.549 11.406 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.170 11.088 2.193 1.00 0.00 H new ATOM 898 N GLN A 82 3.083 10.989 5.680 1.00 0.00 N ATOM 899 CA GLN A 82 3.461 11.749 6.868 1.00 0.00 C ATOM 900 C GLN A 82 4.182 10.858 7.878 1.00 0.00 C ATOM 901 O GLN A 82 5.140 11.287 8.519 1.00 0.00 O ATOM 902 CB GLN A 82 2.234 12.386 7.526 1.00 0.00 C ATOM 903 CG GLN A 82 1.468 13.339 6.618 1.00 0.00 C ATOM 904 CD GLN A 82 2.319 14.481 6.096 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.262 14.928 6.754 1.00 0.00 O ATOM 906 NE2 GLN A 82 1.991 14.962 4.910 1.00 0.00 N ATOM 0 H GLN A 82 2.077 10.888 5.546 1.00 0.00 H new ATOM 0 HA GLN A 82 4.138 12.541 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.560 11.595 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.552 12.927 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.064 12.780 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.619 13.748 7.165 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.204 14.564 4.398 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.525 15.731 4.506 1.00 0.00 H new ATOM 915 N ARG A 83 3.732 9.610 8.003 1.00 0.00 N ATOM 916 CA ARG A 83 4.346 8.656 8.927 1.00 0.00 C ATOM 917 C ARG A 83 5.774 8.331 8.496 1.00 0.00 C ATOM 918 O ARG A 83 6.598 7.907 9.305 1.00 0.00 O ATOM 919 CB ARG A 83 3.522 7.361 9.015 1.00 0.00 C ATOM 920 CG ARG A 83 2.132 7.540 9.613 1.00 0.00 C ATOM 921 CD ARG A 83 2.179 7.787 11.115 1.00 0.00 C ATOM 922 NE ARG A 83 2.494 6.576 11.876 1.00 0.00 N ATOM 923 CZ ARG A 83 3.043 6.590 13.090 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.434 7.746 13.617 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.221 5.462 13.762 1.00 0.00 N ATOM 0 H ARG A 83 2.944 9.235 7.476 1.00 0.00 H new ATOM 0 HA ARG A 83 4.369 9.120 9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.423 6.939 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.071 6.635 9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.633 8.377 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.534 6.651 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.926 8.551 11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.217 8.179 11.445 1.00 0.00 H new ATOM 0 HE ARG A 83 2.281 5.672 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.313 8.612 13.093 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.855 7.767 14.546 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.937 4.573 13.351 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.642 5.483 14.691 1.00 0.00 H new ATOM 938 N LEU A 84 6.056 8.526 7.216 1.00 0.00 N ATOM 939 CA LEU A 84 7.388 8.286 6.679 1.00 0.00 C ATOM 940 C LEU A 84 8.156 9.589 6.483 1.00 0.00 C ATOM 941 O LEU A 84 9.217 9.605 5.859 1.00 0.00 O ATOM 942 CB LEU A 84 7.286 7.538 5.353 1.00 0.00 C ATOM 943 CG LEU A 84 6.762 6.107 5.467 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.477 5.534 4.090 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.769 5.234 6.204 1.00 0.00 C ATOM 0 H LEU A 84 5.377 8.851 6.527 1.00 0.00 H new ATOM 0 HA LEU A 84 7.936 7.679 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.632 8.098 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.272 7.514 4.888 1.00 0.00 H new ATOM 0 HG LEU A 84 5.831 6.123 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.105 4.514 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.727 6.147 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.394 5.529 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.383 4.217 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.712 5.225 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.933 5.634 7.205 1.00 0.00 H new ATOM 957 N ASN A 85 7.601 10.674 7.021 1.00 0.00 N ATOM 958 CA ASN A 85 8.211 12.004 6.941 1.00 0.00 C ATOM 959 C ASN A 85 8.410 12.426 5.482 1.00 0.00 C ATOM 960 O ASN A 85 9.462 12.930 5.091 1.00 0.00 O ATOM 961 CB ASN A 85 9.536 12.046 7.720 1.00 0.00 C ATOM 962 CG ASN A 85 10.057 13.461 7.921 1.00 0.00 C ATOM 963 OD1 ASN A 85 10.894 13.944 7.159 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.552 14.139 8.941 1.00 0.00 N ATOM 0 H ASN A 85 6.715 10.658 7.526 1.00 0.00 H new ATOM 0 HA ASN A 85 7.531 12.719 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.396 11.574 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.285 11.460 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.855 15.097 9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.860 13.703 9.550 1.00 0.00 H new ATOM 971 N CYS A 86 7.389 12.188 4.676 1.00 0.00 N ATOM 972 CA CYS A 86 7.378 12.636 3.293 1.00 0.00 C ATOM 973 C CYS A 86 6.275 13.664 3.096 1.00 0.00 C ATOM 974 O CYS A 86 5.445 13.858 3.986 1.00 0.00 O ATOM 975 CB CYS A 86 7.172 11.458 2.337 1.00 0.00 C ATOM 976 SG CYS A 86 8.608 10.348 2.186 1.00 0.00 S ATOM 0 H CYS A 86 6.550 11.682 4.959 1.00 0.00 H new ATOM 0 HA CYS A 86 8.343 13.091 3.070 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.314 10.877 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.924 11.847 1.349 1.00 0.00 H new ATOM 981 N GLY A 87 6.270 14.320 1.949 1.00 0.00 N ATOM 982 CA GLY A 87 5.261 15.319 1.676 1.00 0.00 C ATOM 983 C GLY A 87 3.931 14.713 1.262 1.00 0.00 C ATOM 984 O GLY A 87 3.503 13.694 1.809 1.00 0.00 O ATOM 0 H GLY A 87 6.948 14.179 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.115 15.933 2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.616 15.981 0.886 1.00 0.00 H new ATOM 988 N ASP A 88 3.284 15.340 0.292 1.00 0.00 N ATOM 989 CA ASP A 88 1.969 14.905 -0.171 1.00 0.00 C ATOM 990 C ASP A 88 2.079 13.647 -1.023 1.00 0.00 C ATOM 991 O ASP A 88 3.096 13.419 -1.683 1.00 0.00 O ATOM 992 CB ASP A 88 1.303 16.009 -0.993 1.00 0.00 C ATOM 993 CG ASP A 88 1.419 17.370 -0.343 1.00 0.00 C ATOM 994 OD1 ASP A 88 0.563 17.710 0.500 1.00 0.00 O ATOM 995 OD2 ASP A 88 2.368 18.107 -0.675 1.00 0.00 O ATOM 0 H ASP A 88 3.649 16.158 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 88 1.363 14.686 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.757 16.044 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.250 15.767 -1.134 1.00 0.00 H new ATOM 1000 N PRO A 89 1.028 12.812 -1.015 1.00 0.00 N ATOM 1001 CA PRO A 89 0.974 11.599 -1.824 1.00 0.00 C ATOM 1002 C PRO A 89 0.597 11.895 -3.276 1.00 0.00 C ATOM 1003 O PRO A 89 -0.507 12.360 -3.568 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.103 10.766 -1.133 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.006 11.751 -0.475 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.191 12.989 -0.203 1.00 0.00 C ATOM 0 HA PRO A 89 1.938 11.094 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.647 10.154 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.335 10.086 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.856 11.983 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.409 11.344 0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.731 13.891 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.047 13.083 0.856 1.00 0.00 H new ATOM 1014 N LEU A 90 1.524 11.614 -4.178 1.00 0.00 N ATOM 1015 CA LEU A 90 1.378 11.963 -5.584 1.00 0.00 C ATOM 1016 C LEU A 90 0.713 10.846 -6.385 1.00 0.00 C ATOM 1017 O LEU A 90 -0.193 11.099 -7.180 1.00 0.00 O ATOM 1018 CB LEU A 90 2.752 12.262 -6.187 1.00 0.00 C ATOM 1019 CG LEU A 90 3.529 13.412 -5.538 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.913 13.532 -6.161 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.770 14.728 -5.671 1.00 0.00 C ATOM 0 H LEU A 90 2.399 11.138 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 90 0.739 12.844 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.359 11.359 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.622 12.488 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 90 3.640 13.191 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.454 14.353 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.462 12.602 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.816 13.727 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.343 15.528 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.622 14.958 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.801 14.640 -5.180 1.00 0.00 H new ATOM 1033 N SER A 91 1.158 9.615 -6.178 1.00 0.00 N ATOM 1034 CA SER A 91 0.707 8.507 -7.008 1.00 0.00 C ATOM 1035 C SER A 91 0.319 7.294 -6.164 1.00 0.00 C ATOM 1036 O SER A 91 0.972 6.983 -5.167 1.00 0.00 O ATOM 1037 CB SER A 91 1.804 8.126 -8.008 1.00 0.00 C ATOM 1038 OG SER A 91 1.352 7.132 -8.911 1.00 0.00 O ATOM 0 H SER A 91 1.825 9.359 -5.450 1.00 0.00 H new ATOM 0 HA SER A 91 -0.182 8.831 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.117 9.010 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.679 7.762 -7.470 1.00 0.00 H new ATOM 0 HG SER A 91 0.525 7.433 -9.341 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.749 6.625 -6.583 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.224 5.411 -5.930 1.00 0.00 C ATOM 1046 C LEU A 92 -1.672 4.395 -6.976 1.00 0.00 C ATOM 1047 O LEU A 92 -2.859 4.307 -7.305 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.392 5.715 -4.982 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.053 5.744 -3.487 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -3.265 6.185 -2.676 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.587 4.372 -3.014 1.00 0.00 C ATOM 0 H LEU A 92 -1.310 6.909 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.400 4.999 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.816 6.681 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.169 4.968 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.245 6.460 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.008 6.200 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.569 7.183 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.086 5.487 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.351 4.414 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.378 3.641 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.698 4.078 -3.571 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.722 3.642 -7.498 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.028 2.655 -8.519 1.00 0.00 C ATOM 1065 C GLY A 93 -0.010 1.534 -8.534 1.00 0.00 C ATOM 1066 O GLY A 93 0.972 1.604 -7.799 1.00 0.00 O ATOM 0 H GLY A 93 0.262 3.693 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.021 2.243 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.053 3.137 -9.496 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.210 0.485 -9.356 1.00 0.00 N ATOM 1071 CA PRO A 94 0.728 -0.644 -9.438 1.00 0.00 C ATOM 1072 C PRO A 94 2.162 -0.174 -9.690 1.00 0.00 C ATOM 1073 O PRO A 94 2.430 0.539 -10.657 1.00 0.00 O ATOM 1074 CB PRO A 94 0.207 -1.456 -10.627 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.237 -1.106 -10.730 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.351 0.324 -10.278 1.00 0.00 C ATOM 0 HA PRO A 94 0.771 -1.215 -8.510 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.741 -1.202 -11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.343 -2.525 -10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.594 -1.221 -11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.843 -1.762 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.290 1.017 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.301 0.513 -9.778 1.00 0.00 H new ATOM 1084 N PHE A 95 3.079 -0.558 -8.809 1.00 0.00 N ATOM 1085 CA PHE A 95 4.436 -0.037 -8.864 1.00 0.00 C ATOM 1086 C PHE A 95 5.381 -1.008 -9.567 1.00 0.00 C ATOM 1087 O PHE A 95 5.739 -0.798 -10.727 1.00 0.00 O ATOM 1088 CB PHE A 95 4.932 0.280 -7.448 1.00 0.00 C ATOM 1089 CG PHE A 95 6.179 1.118 -7.402 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.154 2.440 -7.821 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.371 0.593 -6.928 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.293 3.219 -7.767 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.511 1.370 -6.874 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.473 2.684 -7.294 1.00 0.00 C ATOM 0 H PHE A 95 2.908 -1.223 -8.055 1.00 0.00 H new ATOM 0 HA PHE A 95 4.425 0.883 -9.449 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.141 0.797 -6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.118 -0.657 -6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.234 2.865 -8.194 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.408 -0.435 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.260 4.247 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.434 0.949 -6.503 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.365 3.292 -7.252 1.00 0.00 H new ATOM 1104 N LEU A 96 5.770 -2.075 -8.878 1.00 0.00 N ATOM 1105 CA LEU A 96 6.740 -3.018 -9.432 1.00 0.00 C ATOM 1106 C LEU A 96 6.338 -4.463 -9.164 1.00 0.00 C ATOM 1107 O LEU A 96 5.406 -4.742 -8.405 1.00 0.00 O ATOM 1108 CB LEU A 96 8.141 -2.770 -8.851 1.00 0.00 C ATOM 1109 CG LEU A 96 8.829 -1.465 -9.273 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.187 -1.341 -8.597 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.988 -1.389 -10.788 1.00 0.00 C ATOM 0 H LEU A 96 5.434 -2.309 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 96 6.758 -2.854 -10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.068 -2.782 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.783 -3.603 -9.137 1.00 0.00 H new ATOM 0 HG LEU A 96 8.197 -0.635 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.663 -0.411 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.056 -1.340 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.815 -2.184 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.479 -0.453 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.593 -2.228 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.006 -1.432 -11.259 1.00 0.00 H new ATOM 1123 N LYS A 97 7.056 -5.368 -9.810 1.00 0.00 N ATOM 1124 CA LYS A 97 6.862 -6.797 -9.638 1.00 0.00 C ATOM 1125 C LYS A 97 8.099 -7.394 -8.974 1.00 0.00 C ATOM 1126 O LYS A 97 9.090 -7.694 -9.639 1.00 0.00 O ATOM 1127 CB LYS A 97 6.613 -7.458 -10.999 1.00 0.00 C ATOM 1128 CG LYS A 97 6.422 -8.964 -10.930 1.00 0.00 C ATOM 1129 CD LYS A 97 5.142 -9.332 -10.206 1.00 0.00 C ATOM 1130 CE LYS A 97 4.992 -10.836 -10.089 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.713 -11.212 -9.442 1.00 0.00 N ATOM 0 H LYS A 97 7.794 -5.129 -10.472 1.00 0.00 H new ATOM 0 HA LYS A 97 5.994 -6.976 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.728 -7.010 -11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.454 -7.239 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.401 -9.375 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.272 -9.416 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.142 -8.885 -9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.287 -8.919 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.043 -11.285 -11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.824 -11.241 -9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.908 -11.708 -8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.157 -10.355 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.174 -11.837 -10.075 1.00 0.00 H new ATOM 1144 N THR A 98 8.043 -7.553 -7.664 1.00 0.00 N ATOM 1145 CA THR A 98 9.200 -8.004 -6.905 1.00 0.00 C ATOM 1146 C THR A 98 9.032 -9.437 -6.406 1.00 0.00 C ATOM 1147 O THR A 98 9.472 -9.765 -5.303 1.00 0.00 O ATOM 1148 CB THR A 98 9.449 -7.072 -5.706 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.226 -6.880 -4.980 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.995 -5.726 -6.163 1.00 0.00 C ATOM 0 H THR A 98 7.210 -7.377 -7.102 1.00 0.00 H new ATOM 0 HA THR A 98 10.057 -7.977 -7.579 1.00 0.00 H new ATOM 0 HB THR A 98 10.191 -7.538 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.872 -5.986 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.162 -5.087 -5.295 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.937 -5.876 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.277 -5.250 -6.831 1.00 0.00 H new ATOM 1158 N TYR A 99 8.404 -10.280 -7.233 1.00 0.00 N ATOM 1159 CA TYR A 99 8.154 -11.687 -6.892 1.00 0.00 C ATOM 1160 C TYR A 99 7.206 -11.779 -5.693 1.00 0.00 C ATOM 1161 O TYR A 99 7.603 -11.574 -4.546 1.00 0.00 O ATOM 1162 CB TYR A 99 9.476 -12.404 -6.596 1.00 0.00 C ATOM 1163 CG TYR A 99 9.392 -13.911 -6.670 1.00 0.00 C ATOM 1164 CD1 TYR A 99 9.283 -14.549 -7.896 1.00 0.00 C ATOM 1165 CD2 TYR A 99 9.428 -14.696 -5.523 1.00 0.00 C ATOM 1166 CE1 TYR A 99 9.210 -15.921 -7.983 1.00 0.00 C ATOM 1167 CE2 TYR A 99 9.359 -16.076 -5.603 1.00 0.00 C ATOM 1168 CZ TYR A 99 9.248 -16.682 -6.836 1.00 0.00 C ATOM 1169 OH TYR A 99 9.182 -18.054 -6.926 1.00 0.00 O ATOM 0 H TYR A 99 8.056 -10.009 -8.153 1.00 0.00 H new ATOM 0 HA TYR A 99 7.681 -12.178 -7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.230 -12.058 -7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.817 -12.118 -5.601 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.255 -13.959 -8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.511 -14.222 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.123 -16.399 -8.948 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.392 -16.674 -4.705 1.00 0.00 H new ATOM 0 HH TYR A 99 9.222 -18.443 -6.027 1.00 0.00 H new ATOM 1179 N THR A 100 5.953 -12.105 -5.959 1.00 0.00 N ATOM 1180 CA THR A 100 4.916 -11.995 -4.944 1.00 0.00 C ATOM 1181 C THR A 100 4.094 -13.280 -4.794 1.00 0.00 C ATOM 1182 O THR A 100 2.909 -13.304 -5.120 1.00 0.00 O ATOM 1183 CB THR A 100 3.969 -10.841 -5.307 1.00 0.00 C ATOM 1184 OG1 THR A 100 3.596 -10.963 -6.686 1.00 0.00 O ATOM 1185 CG2 THR A 100 4.626 -9.487 -5.068 1.00 0.00 C ATOM 0 H THR A 100 5.629 -12.446 -6.864 1.00 0.00 H new ATOM 0 HA THR A 100 5.416 -11.810 -3.994 1.00 0.00 H new ATOM 0 HB THR A 100 3.087 -10.900 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.186 -10.126 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.929 -8.692 -5.335 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.897 -9.394 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.523 -9.404 -5.682 1.00 0.00 H new ATOM 1193 N PRO A 101 4.700 -14.371 -4.297 1.00 0.00 N ATOM 1194 CA PRO A 101 3.977 -15.617 -4.053 1.00 0.00 C ATOM 1195 C PRO A 101 3.346 -15.648 -2.661 1.00 0.00 C ATOM 1196 O PRO A 101 2.520 -16.509 -2.353 1.00 0.00 O ATOM 1197 CB PRO A 101 5.080 -16.664 -4.173 1.00 0.00 C ATOM 1198 CG PRO A 101 6.308 -15.974 -3.674 1.00 0.00 C ATOM 1199 CD PRO A 101 6.130 -14.499 -3.958 1.00 0.00 C ATOM 0 HA PRO A 101 3.145 -15.768 -4.740 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.853 -17.549 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.202 -16.995 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.442 -16.148 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.197 -16.359 -4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.391 -13.891 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.766 -14.171 -4.780 1.00 0.00 H new ATOM 1207 N GLN A 102 3.750 -14.692 -1.832 1.00 0.00 N ATOM 1208 CA GLN A 102 3.289 -14.596 -0.446 1.00 0.00 C ATOM 1209 C GLN A 102 3.359 -13.153 0.043 1.00 0.00 C ATOM 1210 O GLN A 102 2.541 -12.719 0.855 1.00 0.00 O ATOM 1211 CB GLN A 102 4.147 -15.472 0.478 1.00 0.00 C ATOM 1212 CG GLN A 102 3.867 -16.963 0.373 1.00 0.00 C ATOM 1213 CD GLN A 102 4.839 -17.802 1.186 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.123 -18.948 0.846 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.355 -17.241 2.267 1.00 0.00 N ATOM 0 H GLN A 102 4.407 -13.959 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 102 2.256 -14.944 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.198 -15.296 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.986 -15.157 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.850 -17.162 0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.919 -17.265 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.097 -16.287 2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.011 -17.762 2.848 1.00 0.00 H new ATOM 1224 N SER A 103 4.350 -12.424 -0.465 1.00 0.00 N ATOM 1225 CA SER A 103 4.666 -11.078 0.003 1.00 0.00 C ATOM 1226 C SER A 103 3.510 -10.097 -0.195 1.00 0.00 C ATOM 1227 O SER A 103 3.350 -9.150 0.578 1.00 0.00 O ATOM 1228 CB SER A 103 5.894 -10.575 -0.749 1.00 0.00 C ATOM 1229 OG SER A 103 6.826 -11.625 -0.954 1.00 0.00 O ATOM 0 H SER A 103 4.958 -12.752 -1.215 1.00 0.00 H new ATOM 0 HA SER A 103 4.856 -11.134 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.592 -10.158 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.365 -9.769 -0.186 1.00 0.00 H new ATOM 0 HG SER A 103 7.605 -11.281 -1.439 1.00 0.00 H new ATOM 1235 N SER A 104 2.711 -10.317 -1.229 1.00 0.00 N ATOM 1236 CA SER A 104 1.644 -9.391 -1.558 1.00 0.00 C ATOM 1237 C SER A 104 0.322 -9.836 -0.944 1.00 0.00 C ATOM 1238 O SER A 104 -0.139 -10.961 -1.165 1.00 0.00 O ATOM 1239 CB SER A 104 1.509 -9.266 -3.074 1.00 0.00 C ATOM 1240 OG SER A 104 1.315 -10.538 -3.671 1.00 0.00 O ATOM 0 H SER A 104 2.782 -11.124 -1.849 1.00 0.00 H new ATOM 0 HA SER A 104 1.897 -8.416 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.669 -8.614 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.404 -8.799 -3.486 1.00 0.00 H new ATOM 0 HG SER A 104 0.733 -11.082 -3.100 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.286 -8.950 -0.172 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.579 -9.221 0.428 1.00 0.00 C ATOM 1248 C ILE A 105 -2.679 -8.462 -0.305 1.00 0.00 C ATOM 1249 O ILE A 105 -2.478 -7.333 -0.757 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.624 -8.850 1.932 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.235 -7.380 2.142 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.718 -9.775 2.737 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.335 -6.912 3.578 1.00 0.00 C ATOM 0 H ILE A 105 0.099 -8.033 0.054 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.742 -10.295 0.340 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.646 -8.980 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.213 -7.233 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.876 -6.754 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.762 -9.500 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.051 -10.806 2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.308 -9.681 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.043 -5.864 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.362 -7.024 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.672 -7.511 4.203 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.827 -9.095 -0.436 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.999 -8.452 -0.994 1.00 0.00 C ATOM 1267 C ILE A 106 -5.970 -8.152 0.131 1.00 0.00 C ATOM 1268 O ILE A 106 -6.424 -9.058 0.832 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.682 -9.324 -2.077 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.871 -9.278 -3.371 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.116 -8.875 -2.327 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.484 -10.075 -4.506 1.00 0.00 C ATOM 0 H ILE A 106 -3.974 -10.066 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.688 -7.529 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.717 -10.352 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.764 -8.240 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.868 -9.657 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.567 -9.507 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.689 -8.958 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.119 -7.839 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.852 -9.994 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.566 -11.122 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.476 -9.683 -4.732 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.256 -6.884 0.333 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.135 -6.490 1.415 1.00 0.00 C ATOM 1286 C CYS A 107 -8.556 -6.348 0.898 1.00 0.00 C ATOM 1287 O CYS A 107 -8.774 -5.854 -0.206 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.656 -5.193 2.063 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.173 -5.027 3.800 1.00 0.00 S ATOM 0 H CYS A 107 -5.897 -6.114 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.117 -7.265 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.568 -5.147 2.008 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.040 -4.346 1.494 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.517 -6.800 1.686 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.907 -6.810 1.262 1.00 0.00 C ATOM 1296 C TYR A 108 -11.710 -5.778 2.037 1.00 0.00 C ATOM 1297 O TYR A 108 -11.327 -5.381 3.143 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.513 -8.203 1.456 1.00 0.00 C ATOM 1299 CG TYR A 108 -10.824 -9.288 0.650 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.115 -9.467 -0.697 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -9.888 -10.132 1.238 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.490 -10.454 -1.436 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.261 -11.123 0.505 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.565 -11.278 -0.830 1.00 0.00 C ATOM 1305 OH TYR A 108 -8.940 -12.261 -1.566 1.00 0.00 O ATOM 0 H TYR A 108 -9.360 -7.166 2.625 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.944 -6.555 0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.468 -8.465 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.567 -8.172 1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.841 -8.825 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.647 -10.012 2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.725 -10.579 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.537 -11.772 0.976 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.316 -12.753 -0.992 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.821 -5.343 1.461 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.671 -4.386 2.132 1.00 0.00 C ATOM 1317 C GLY A 109 -13.686 -3.038 1.446 1.00 0.00 C ATOM 1318 O GLY A 109 -13.880 -2.952 0.234 1.00 0.00 O ATOM 0 H GLY A 109 -13.148 -5.637 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.687 -4.778 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.331 -4.262 3.160 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.466 -1.986 2.221 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.537 -0.624 1.711 1.00 0.00 C ATOM 1324 C GLN A 110 -12.172 0.049 1.756 1.00 0.00 C ATOM 1325 O GLN A 110 -11.382 -0.190 2.674 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.554 0.175 2.527 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.995 -0.252 2.275 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.979 0.347 3.261 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.759 1.429 3.804 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -18.083 -0.348 3.487 1.00 0.00 N ATOM 0 H GLN A 110 -13.235 -2.051 3.212 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.857 -0.657 0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.329 0.062 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.449 1.234 2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.281 0.039 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.058 -1.339 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.228 -1.241 3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.788 0.010 4.131 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.905 0.875 0.746 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.653 1.614 0.638 1.00 0.00 C ATOM 1341 C LEU A 111 -10.378 2.402 1.913 1.00 0.00 C ATOM 1342 O LEU A 111 -11.118 3.325 2.259 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.707 2.569 -0.565 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.520 3.532 -0.704 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.249 2.783 -1.091 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.835 4.623 -1.720 1.00 0.00 C ATOM 0 H LEU A 111 -12.554 1.050 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.844 0.898 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.777 1.974 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.622 3.157 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.349 4.002 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.424 3.489 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.013 2.047 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.401 2.277 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.983 5.297 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.038 4.169 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.710 5.184 -1.392 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.313 2.026 2.604 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.976 2.665 3.856 1.00 0.00 C ATOM 1360 C GLY A 112 -8.986 1.682 5.004 1.00 0.00 C ATOM 1361 O GLY A 112 -8.402 1.938 6.057 1.00 0.00 O ATOM 0 H GLY A 112 -8.673 1.285 2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.990 3.123 3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.685 3.468 4.058 1.00 0.00 H new ATOM 1365 N SER A 113 -9.644 0.548 4.799 1.00 0.00 N ATOM 1366 CA SER A 113 -9.716 -0.484 5.816 1.00 0.00 C ATOM 1367 C SER A 113 -8.627 -1.529 5.604 1.00 0.00 C ATOM 1368 O SER A 113 -8.635 -2.264 4.614 1.00 0.00 O ATOM 1369 CB SER A 113 -11.096 -1.152 5.813 1.00 0.00 C ATOM 1370 OG SER A 113 -11.179 -2.162 6.808 1.00 0.00 O ATOM 0 H SER A 113 -10.135 0.323 3.934 1.00 0.00 H new ATOM 0 HA SER A 113 -9.559 -0.012 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.867 -0.401 5.988 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.291 -1.587 4.833 1.00 0.00 H new ATOM 0 HG SER A 113 -12.069 -2.571 6.786 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.692 -1.579 6.538 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.653 -2.599 6.548 1.00 0.00 C ATOM 1378 C PHE A 114 -6.946 -3.596 7.663 1.00 0.00 C ATOM 1379 O PHE A 114 -6.067 -4.325 8.121 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.271 -1.966 6.762 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.843 -1.036 5.656 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.166 0.312 5.698 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.108 -1.512 4.581 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.762 1.166 4.690 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.703 -0.661 3.571 1.00 0.00 C ATOM 1386 CZ PHE A 114 -4.030 0.680 3.624 1.00 0.00 C ATOM 0 H PHE A 114 -7.630 -0.915 7.310 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.647 -3.110 5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.277 -1.416 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.531 -2.760 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.740 0.698 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.849 -2.559 4.533 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -5.019 2.214 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.130 -1.044 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.714 1.346 2.835 1.00 0.00 H new ATOM 1396 N SER A 115 -8.200 -3.613 8.093 1.00 0.00 N ATOM 1397 CA SER A 115 -8.623 -4.428 9.218 1.00 0.00 C ATOM 1398 C SER A 115 -8.552 -5.920 8.893 1.00 0.00 C ATOM 1399 O SER A 115 -8.262 -6.741 9.767 1.00 0.00 O ATOM 1400 CB SER A 115 -10.045 -4.043 9.622 1.00 0.00 C ATOM 1401 OG SER A 115 -10.159 -2.640 9.815 1.00 0.00 O ATOM 0 H SER A 115 -8.949 -3.063 7.672 1.00 0.00 H new ATOM 0 HA SER A 115 -7.942 -4.241 10.048 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.745 -4.365 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.319 -4.563 10.540 1.00 0.00 H new ATOM 0 HG SER A 115 -9.442 -2.332 10.408 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.823 -6.270 7.642 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.801 -7.664 7.223 1.00 0.00 C ATOM 1409 C ASN A 116 -8.204 -7.787 5.826 1.00 0.00 C ATOM 1410 O ASN A 116 -8.900 -7.634 4.819 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.216 -8.262 7.257 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.230 -9.773 7.056 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -9.395 -10.335 6.344 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -11.178 -10.447 7.694 1.00 0.00 N ATOM 0 H ASN A 116 -9.060 -5.609 6.902 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.176 -8.224 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.682 -8.024 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.821 -7.792 6.482 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.231 -11.462 7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.853 -9.951 8.275 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.907 -8.042 5.775 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.222 -8.256 4.514 1.00 0.00 C ATOM 1423 C CYS A 117 -5.663 -9.679 4.480 1.00 0.00 C ATOM 1424 O CYS A 117 -5.196 -10.185 5.500 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.092 -7.233 4.342 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.511 -5.528 4.860 1.00 0.00 S ATOM 0 H CYS A 117 -6.306 -8.106 6.597 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.927 -8.126 3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.227 -7.569 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.794 -7.216 3.294 1.00 0.00 H new ATOM 1431 N SER A 118 -5.710 -10.324 3.322 1.00 0.00 N ATOM 1432 CA SER A 118 -5.335 -11.730 3.222 1.00 0.00 C ATOM 1433 C SER A 118 -4.198 -11.933 2.219 1.00 0.00 C ATOM 1434 O SER A 118 -4.001 -11.121 1.317 1.00 0.00 O ATOM 1435 CB SER A 118 -6.557 -12.550 2.815 1.00 0.00 C ATOM 1436 OG SER A 118 -7.632 -12.330 3.715 1.00 0.00 O ATOM 0 H SER A 118 -6.003 -9.899 2.442 1.00 0.00 H new ATOM 0 HA SER A 118 -4.977 -12.065 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.862 -12.280 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.301 -13.609 2.799 1.00 0.00 H new ATOM 0 HG SER A 118 -8.406 -12.863 3.436 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.451 -13.018 2.390 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.300 -13.313 1.538 1.00 0.00 C ATOM 1444 C HIS A 119 -2.736 -13.919 0.212 1.00 0.00 C ATOM 1445 O HIS A 119 -3.575 -14.821 0.179 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.337 -14.282 2.237 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.720 -13.745 3.492 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.224 -14.003 4.750 1.00 0.00 N ATOM 1449 CD2 HIS A 119 0.374 -12.969 3.682 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.471 -13.412 5.657 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.507 -12.778 5.036 1.00 0.00 N ATOM 0 H HIS A 119 -3.622 -13.714 3.116 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.791 -12.368 1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.874 -15.200 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.542 -14.549 1.541 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -2.052 -14.565 4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.021 -12.574 2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.627 -13.441 6.725 1.00 0.00 H new ATOM 1459 N SER A 120 -2.165 -13.424 -0.875 1.00 0.00 N ATOM 1460 CA SER A 120 -2.407 -13.997 -2.186 1.00 0.00 C ATOM 1461 C SER A 120 -1.355 -15.061 -2.462 1.00 0.00 C ATOM 1462 O SER A 120 -0.159 -14.806 -2.316 1.00 0.00 O ATOM 1463 CB SER A 120 -2.358 -12.912 -3.266 1.00 0.00 C ATOM 1464 OG SER A 120 -2.661 -13.444 -4.548 1.00 0.00 O ATOM 0 H SER A 120 -1.530 -12.626 -0.873 1.00 0.00 H new ATOM 0 HA SER A 120 -3.399 -14.447 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.067 -12.121 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.367 -12.458 -3.283 1.00 0.00 H new ATOM 0 HG SER A 120 -2.624 -12.728 -5.216 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.792 -16.251 -2.843 1.00 0.00 N ATOM 1471 CA ARG A 121 -0.865 -17.343 -3.089 1.00 0.00 C ATOM 1472 C ARG A 121 -0.575 -17.471 -4.583 1.00 0.00 C ATOM 1473 O ARG A 121 0.111 -18.393 -5.022 1.00 0.00 O ATOM 1474 CB ARG A 121 -1.426 -18.652 -2.531 1.00 0.00 C ATOM 1475 CG ARG A 121 -0.362 -19.706 -2.258 1.00 0.00 C ATOM 1476 CD ARG A 121 0.713 -19.175 -1.319 1.00 0.00 C ATOM 1477 NE ARG A 121 1.690 -20.197 -0.957 1.00 0.00 N ATOM 1478 CZ ARG A 121 2.955 -20.188 -1.368 1.00 0.00 C ATOM 1479 NH1 ARG A 121 3.382 -19.248 -2.199 1.00 0.00 N ATOM 1480 NH2 ARG A 121 3.797 -21.120 -0.962 1.00 0.00 N ATOM 0 H ARG A 121 -2.774 -16.484 -2.988 1.00 0.00 H new ATOM 0 HA ARG A 121 0.073 -17.126 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.963 -18.442 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.152 -19.056 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.826 -20.590 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.094 -20.018 -3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.225 -18.338 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.243 -18.789 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 121 1.385 -20.962 -0.355 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.740 -18.527 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.353 -19.246 -2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.479 -21.854 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.766 -21.106 -1.282 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.106 -16.538 -5.363 1.00 0.00 N ATOM 1494 CA ASN A 122 -0.847 -16.509 -6.795 1.00 0.00 C ATOM 1495 C ASN A 122 0.103 -15.368 -7.119 1.00 0.00 C ATOM 1496 O ASN A 122 -0.136 -14.223 -6.730 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.140 -16.355 -7.601 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.066 -17.547 -7.462 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.628 -18.671 -7.208 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.356 -17.314 -7.641 1.00 0.00 N ATOM 0 H ASN A 122 -1.717 -15.793 -5.028 1.00 0.00 H new ATOM 0 HA ASN A 122 -0.393 -17.460 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.662 -15.456 -7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.892 -16.214 -8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.027 -18.079 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.679 -16.369 -7.850 1.00 0.00 H new ATOM 1507 N ASP A 123 1.163 -15.677 -7.851 1.00 0.00 N ATOM 1508 CA ASP A 123 2.217 -14.710 -8.126 1.00 0.00 C ATOM 1509 C ASP A 123 1.902 -13.921 -9.393 1.00 0.00 C ATOM 1510 O ASP A 123 2.679 -13.896 -10.349 1.00 0.00 O ATOM 1511 CB ASP A 123 3.575 -15.415 -8.248 1.00 0.00 C ATOM 1512 CG ASP A 123 4.737 -14.444 -8.361 1.00 0.00 C ATOM 1513 OD1 ASP A 123 4.573 -13.259 -7.991 1.00 0.00 O ATOM 1514 OD2 ASP A 123 5.818 -14.862 -8.827 1.00 0.00 O ATOM 0 H ASP A 123 1.317 -16.595 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 123 2.269 -14.010 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 123 3.726 -16.055 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 123 3.564 -16.064 -9.123 1.00 0.00 H new ATOM 1519 N MET A 124 0.741 -13.288 -9.399 1.00 0.00 N ATOM 1520 CA MET A 124 0.345 -12.406 -10.490 1.00 0.00 C ATOM 1521 C MET A 124 -0.004 -11.030 -9.947 1.00 0.00 C ATOM 1522 O MET A 124 -0.560 -10.189 -10.652 1.00 0.00 O ATOM 1523 CB MET A 124 -0.848 -12.980 -11.265 1.00 0.00 C ATOM 1524 CG MET A 124 -0.531 -14.236 -12.058 1.00 0.00 C ATOM 1525 SD MET A 124 -1.929 -14.789 -13.054 1.00 0.00 S ATOM 1526 CE MET A 124 -1.205 -16.195 -13.894 1.00 0.00 C ATOM 0 H MET A 124 0.049 -13.368 -8.654 1.00 0.00 H new ATOM 0 HA MET A 124 1.187 -12.321 -11.177 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.651 -13.201 -10.562 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.223 -12.218 -11.948 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.323 -14.046 -12.708 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.239 -15.032 -11.373 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.947 -16.648 -14.551 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.351 -15.865 -14.485 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.876 -16.928 -13.158 1.00 0.00 H new ATOM 1536 N CYS A 125 0.333 -10.805 -8.689 1.00 0.00 N ATOM 1537 CA CYS A 125 0.034 -9.540 -8.036 1.00 0.00 C ATOM 1538 C CYS A 125 1.143 -8.525 -8.270 1.00 0.00 C ATOM 1539 O CYS A 125 2.328 -8.862 -8.250 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.176 -9.739 -6.532 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.917 -9.623 -6.001 1.00 0.00 S ATOM 0 H CYS A 125 0.815 -11.482 -8.098 1.00 0.00 H new ATOM 0 HA CYS A 125 -0.887 -9.156 -8.474 1.00 0.00 H new ATOM 0 HB2 CYS A 125 0.215 -10.716 -6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.408 -8.993 -5.993 1.00 0.00 H new ATOM 1546 N HIS A 126 0.749 -7.289 -8.527 1.00 0.00 N ATOM 1547 CA HIS A 126 1.689 -6.183 -8.579 1.00 0.00 C ATOM 1548 C HIS A 126 1.524 -5.352 -7.320 1.00 0.00 C ATOM 1549 O HIS A 126 0.399 -5.005 -6.942 1.00 0.00 O ATOM 1550 CB HIS A 126 1.455 -5.312 -9.816 1.00 0.00 C ATOM 1551 CG HIS A 126 1.739 -6.009 -11.109 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.748 -6.529 -11.911 1.00 0.00 N ATOM 1553 CD2 HIS A 126 2.907 -6.261 -11.744 1.00 0.00 C ATOM 1554 CE1 HIS A 126 1.291 -7.074 -12.983 1.00 0.00 C ATOM 1555 NE2 HIS A 126 2.601 -6.924 -12.906 1.00 0.00 N ATOM 0 H HIS A 126 -0.221 -7.026 -8.704 1.00 0.00 H new ATOM 0 HA HIS A 126 2.703 -6.579 -8.643 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.420 -4.971 -9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.083 -4.424 -9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 126 3.895 -5.991 -11.401 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.756 -7.560 -13.786 1.00 0.00 H new ATOM 0 HE2 HIS A 126 3.276 -7.248 -13.598 1.00 0.00 H new ATOM 1563 N SER A 127 2.629 -5.060 -6.658 1.00 0.00 N ATOM 1564 CA SER A 127 2.594 -4.305 -5.419 1.00 0.00 C ATOM 1565 C SER A 127 2.099 -2.885 -5.672 1.00 0.00 C ATOM 1566 O SER A 127 2.535 -2.220 -6.618 1.00 0.00 O ATOM 1567 CB SER A 127 3.985 -4.276 -4.797 1.00 0.00 C ATOM 1568 OG SER A 127 4.536 -5.580 -4.731 1.00 0.00 O ATOM 0 H SER A 127 3.564 -5.335 -6.959 1.00 0.00 H new ATOM 0 HA SER A 127 1.903 -4.790 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.637 -3.630 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.931 -3.848 -3.796 1.00 0.00 H new ATOM 0 HG SER A 127 5.514 -5.524 -4.761 1.00 0.00 H new ATOM 1574 N LEU A 128 1.175 -2.438 -4.836 1.00 0.00 N ATOM 1575 CA LEU A 128 0.632 -1.097 -4.943 1.00 0.00 C ATOM 1576 C LEU A 128 1.710 -0.089 -4.569 1.00 0.00 C ATOM 1577 O LEU A 128 2.298 -0.170 -3.491 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.588 -0.943 -4.029 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.323 0.398 -4.121 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.997 0.564 -5.475 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -2.343 0.517 -3.000 1.00 0.00 C ATOM 0 H LEU A 128 0.785 -2.990 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 128 0.312 -0.916 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.295 -1.740 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.267 -1.090 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.588 1.196 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.510 1.525 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.245 0.525 -6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.719 -0.239 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.858 1.474 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -3.068 -0.293 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.835 0.455 -2.038 1.00 0.00 H new ATOM 1593 N GLY A 129 1.977 0.839 -5.467 1.00 0.00 N ATOM 1594 CA GLY A 129 3.044 1.789 -5.257 1.00 0.00 C ATOM 1595 C GLY A 129 2.536 3.146 -4.844 1.00 0.00 C ATOM 1596 O GLY A 129 1.598 3.680 -5.446 1.00 0.00 O ATOM 0 H GLY A 129 1.470 0.953 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.719 1.409 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.625 1.886 -6.174 1.00 0.00 H new ATOM 1600 N LEU A 130 3.154 3.700 -3.818 1.00 0.00 N ATOM 1601 CA LEU A 130 2.798 5.013 -3.330 1.00 0.00 C ATOM 1602 C LEU A 130 3.983 5.957 -3.495 1.00 0.00 C ATOM 1603 O LEU A 130 5.047 5.747 -2.913 1.00 0.00 O ATOM 1604 CB LEU A 130 2.371 4.934 -1.863 1.00 0.00 C ATOM 1605 CG LEU A 130 2.019 6.274 -1.211 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.840 6.928 -1.915 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.715 6.080 0.264 1.00 0.00 C ATOM 0 H LEU A 130 3.913 3.253 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 130 1.958 5.397 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.507 4.274 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.176 4.471 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 130 2.880 6.936 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.610 7.878 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.092 7.103 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.028 6.272 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.467 7.041 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.872 5.399 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.588 5.661 0.763 1.00 0.00 H new ATOM 1619 N THR A 131 3.805 6.969 -4.322 1.00 0.00 N ATOM 1620 CA THR A 131 4.834 7.968 -4.542 1.00 0.00 C ATOM 1621 C THR A 131 4.508 9.232 -3.761 1.00 0.00 C ATOM 1622 O THR A 131 3.560 9.938 -4.090 1.00 0.00 O ATOM 1623 CB THR A 131 4.956 8.304 -6.043 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.207 7.106 -6.785 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.073 9.307 -6.293 1.00 0.00 C ATOM 0 H THR A 131 2.950 7.122 -4.857 1.00 0.00 H new ATOM 0 HA THR A 131 5.785 7.563 -4.196 1.00 0.00 H new ATOM 0 HB THR A 131 4.018 8.751 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.282 7.321 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.135 9.524 -7.359 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.865 10.227 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.020 8.889 -5.952 1.00 0.00 H new ATOM 1633 N CYS A 132 5.271 9.501 -2.715 1.00 0.00 N ATOM 1634 CA CYS A 132 5.076 10.709 -1.927 1.00 0.00 C ATOM 1635 C CYS A 132 6.132 11.734 -2.314 1.00 0.00 C ATOM 1636 O CYS A 132 7.187 11.367 -2.830 1.00 0.00 O ATOM 1637 CB CYS A 132 5.165 10.390 -0.429 1.00 0.00 C ATOM 1638 SG CYS A 132 4.159 8.957 0.089 1.00 0.00 S ATOM 0 H CYS A 132 6.030 8.901 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 132 4.085 11.116 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.207 10.202 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.849 11.266 0.137 1.00 0.00 H new ATOM 1643 N LEU A 133 5.836 13.016 -2.113 1.00 0.00 N ATOM 1644 CA LEU A 133 6.823 14.058 -2.360 1.00 0.00 C ATOM 1645 C LEU A 133 8.035 13.852 -1.465 1.00 0.00 C ATOM 1646 O LEU A 133 7.948 13.970 -0.241 1.00 0.00 O ATOM 1647 CB LEU A 133 6.234 15.454 -2.146 1.00 0.00 C ATOM 1648 CG LEU A 133 5.481 16.036 -3.345 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.792 17.334 -2.963 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.430 16.276 -4.511 1.00 0.00 C ATOM 0 H LEU A 133 4.931 13.353 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 133 7.132 13.987 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.555 15.417 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.043 16.135 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 133 4.725 15.313 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.262 17.733 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.082 17.146 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.537 18.057 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.875 16.690 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.207 16.978 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.888 15.332 -4.807 1.00 0.00 H new ATOM 1662 N GLU A 134 9.151 13.532 -2.094 1.00 0.00 N ATOM 1663 CA GLU A 134 10.369 13.181 -1.390 1.00 0.00 C ATOM 1664 C GLU A 134 11.273 14.400 -1.270 1.00 0.00 C ATOM 1665 O GLU A 134 11.983 14.710 -2.249 1.00 0.00 O ATOM 1666 CB GLU A 134 11.082 12.054 -2.144 1.00 0.00 C ATOM 1667 CG GLU A 134 12.295 11.491 -1.431 1.00 0.00 C ATOM 1668 CD GLU A 134 12.973 10.407 -2.239 1.00 0.00 C ATOM 1669 OE1 GLU A 134 12.537 9.242 -2.169 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.952 10.719 -2.949 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.260 15.050 -0.206 1.00 0.00 O ATOM 0 H GLU A 134 9.238 13.508 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 134 10.124 12.838 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.372 11.246 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.391 12.426 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 134 13.005 12.294 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.993 11.088 -0.464 1.00 0.00 H new