USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 806 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 120 SER OG : rot 180:sc= 0.0397 USER MOD Set 1.2: A 122 ASN : amide:sc= 0.0361 X(o=0.076,f=0.003) USER MOD Set 2.1: A 27 SER OG : rot -120:sc= -1.08! USER MOD Set 2.2: A 113 SER OG : rot 75:sc= 1.73 USER MOD Set 2.3: A 115 SER OG : rot 94:sc= 1.46 USER MOD Set 3.1: A 38 THR OG1 : rot 26:sc= 1.05 USER MOD Set 3.2: A 47 GLN : amide:sc= -0.12 K(o=0.31,f=-4.5) USER MOD Set 3.3: A 58 MET CE :methyl 148:sc= -1.81 (180deg=-0.973) USER MOD Set 3.4: A 98 THR OG1 : rot -117:sc= 0.393 USER MOD Set 3.5: A 127 SER OG : rot -175:sc= 0.799 USER MOD Set 4.1: A 41 ASN :FLIP amide:sc= 0 F(o=-2.7,f=-1) USER MOD Set 4.2: A 45 GLN :FLIP amide:sc= -1.05 F(o=-2.7!,f=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.24 K(o=-0.24,f=-2.9!) USER MOD Single : A 40 SER OG : rot 140:sc=-0.00968 USER MOD Single : A 42 SER OG : rot -89:sc= 1.15 USER MOD Single : A 43 LYS NZ :NH3+ -134:sc= -0.91 (180deg=-2.77!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0625 (180deg=-0.343) USER MOD Single : A 57 HIS : no HE2:sc= 0.398 K(o=0.4,f=-1.3) USER MOD Single : A 61 SER OG : rot -86:sc= 0.39 USER MOD Single : A 62 GLN : amide:sc= 0.531 K(o=0.53,f=-0.045) USER MOD Single : A 63 SER OG : rot 83:sc= 1.7 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 56:sc= 0.0632 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00198 X(o=-0.002,f=-0.002) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.0146 (180deg=-0.182) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 85 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.66) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -132:sc= 1.28 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.015 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.915 K(o=-0.91,f=-2.4) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= -2.88 F(o=-5.5!,f=-2.9) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.991 -0.887 13.911 1.00 0.00 N ATOM 2 CA ARG A 25 -9.699 -1.086 12.473 1.00 0.00 C ATOM 3 C ARG A 25 -8.237 -0.788 12.168 1.00 0.00 C ATOM 4 O ARG A 25 -7.533 -0.197 12.985 1.00 0.00 O ATOM 5 CB ARG A 25 -10.600 -0.187 11.623 1.00 0.00 C ATOM 6 CG ARG A 25 -10.538 1.284 12.001 1.00 0.00 C ATOM 7 CD ARG A 25 -11.355 2.129 11.042 1.00 0.00 C ATOM 8 NE ARG A 25 -12.720 1.630 10.900 1.00 0.00 N ATOM 9 CZ ARG A 25 -13.410 1.685 9.765 1.00 0.00 C ATOM 10 NH1 ARG A 25 -12.860 2.201 8.675 1.00 0.00 N ATOM 11 NH2 ARG A 25 -14.643 1.215 9.705 1.00 0.00 N ATOM 0 HA ARG A 25 -9.897 -2.129 12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.319 -0.295 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.630 -0.532 11.714 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.911 1.418 13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.501 1.621 11.995 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.381 3.159 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.870 2.141 10.066 1.00 0.00 H new ATOM 0 HE ARG A 25 -13.169 1.216 11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.905 2.557 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.392 2.242 7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.074 0.805 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.165 1.262 8.830 1.00 0.00 H new ATOM 23 N LEU A 26 -7.782 -1.208 10.995 1.00 0.00 N ATOM 24 CA LEU A 26 -6.417 -0.937 10.566 1.00 0.00 C ATOM 25 C LEU A 26 -6.421 -0.039 9.337 1.00 0.00 C ATOM 26 O LEU A 26 -5.876 -0.391 8.295 1.00 0.00 O ATOM 27 CB LEU A 26 -5.671 -2.240 10.254 1.00 0.00 C ATOM 28 CG LEU A 26 -5.512 -3.214 11.423 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.797 -4.474 10.962 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.751 -2.564 12.570 1.00 0.00 C ATOM 0 H LEU A 26 -8.338 -1.738 10.324 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.901 -0.430 11.381 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.196 -2.753 9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.679 -1.988 9.879 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.505 -3.483 11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.690 -5.160 11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.377 -4.954 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.811 -4.213 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.650 -3.276 13.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.761 -2.264 12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.296 -1.686 12.917 1.00 0.00 H new ATOM 42 N SER A 27 -7.049 1.117 9.462 1.00 0.00 N ATOM 43 CA SER A 27 -7.109 2.069 8.365 1.00 0.00 C ATOM 44 C SER A 27 -5.920 3.013 8.452 1.00 0.00 C ATOM 45 O SER A 27 -5.412 3.272 9.543 1.00 0.00 O ATOM 46 CB SER A 27 -8.419 2.855 8.427 1.00 0.00 C ATOM 47 OG SER A 27 -9.537 1.977 8.425 1.00 0.00 O ATOM 0 H SER A 27 -7.525 1.420 10.312 1.00 0.00 H new ATOM 0 HA SER A 27 -7.072 1.534 7.416 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.436 3.471 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.482 3.533 7.576 1.00 0.00 H new ATOM 0 HG SER A 27 -10.101 2.167 7.646 1.00 0.00 H new ATOM 53 N TRP A 28 -5.478 3.532 7.313 1.00 0.00 N ATOM 54 CA TRP A 28 -4.298 4.393 7.286 1.00 0.00 C ATOM 55 C TRP A 28 -4.604 5.806 7.797 1.00 0.00 C ATOM 56 O TRP A 28 -3.898 6.762 7.480 1.00 0.00 O ATOM 57 CB TRP A 28 -3.665 4.432 5.883 1.00 0.00 C ATOM 58 CG TRP A 28 -4.572 4.889 4.766 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.641 5.735 4.851 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.454 4.540 3.378 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.202 5.918 3.611 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.491 5.197 2.691 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.576 3.728 2.654 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.669 5.071 1.312 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.754 3.604 1.288 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.793 4.273 0.631 1.00 0.00 C ATOM 0 H TRP A 28 -5.912 3.375 6.404 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.570 3.956 7.969 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.798 5.092 5.914 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.298 3.434 5.643 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.994 6.194 5.763 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.017 6.497 3.409 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.772 3.206 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.470 5.585 0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.080 2.981 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.905 4.156 -0.437 1.00 0.00 H new ATOM 77 N TYR A 29 -5.664 5.926 8.586 1.00 0.00 N ATOM 78 CA TYR A 29 -5.984 7.172 9.263 1.00 0.00 C ATOM 79 C TYR A 29 -5.710 7.038 10.757 1.00 0.00 C ATOM 80 O TYR A 29 -5.634 8.035 11.478 1.00 0.00 O ATOM 81 CB TYR A 29 -7.444 7.564 9.029 1.00 0.00 C ATOM 82 CG TYR A 29 -7.751 7.928 7.590 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.338 9.146 7.063 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.455 7.061 6.762 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.615 9.490 5.753 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.735 7.397 5.450 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.314 8.612 4.952 1.00 0.00 C ATOM 88 OH TYR A 29 -8.594 8.950 3.647 1.00 0.00 O ATOM 0 H TYR A 29 -6.320 5.168 8.773 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.351 7.958 8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.086 6.737 9.331 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.692 8.410 9.670 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.791 9.836 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.789 6.110 7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.286 10.440 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.281 6.711 4.819 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.092 8.222 3.220 1.00 0.00 H new ATOM 98 N ASP A 30 -5.564 5.799 11.212 1.00 0.00 N ATOM 99 CA ASP A 30 -5.268 5.521 12.610 1.00 0.00 C ATOM 100 C ASP A 30 -3.782 5.724 12.877 1.00 0.00 C ATOM 101 O ASP A 30 -2.936 5.296 12.092 1.00 0.00 O ATOM 102 CB ASP A 30 -5.661 4.084 12.976 1.00 0.00 C ATOM 103 CG ASP A 30 -7.156 3.838 12.929 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.710 3.698 11.818 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.782 3.772 14.009 1.00 0.00 O ATOM 0 H ASP A 30 -5.647 4.967 10.628 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.848 6.210 13.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.165 3.394 12.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.295 3.859 13.978 1.00 0.00 H new ATOM 110 N PRO A 31 -3.443 6.371 14.003 1.00 0.00 N ATOM 111 CA PRO A 31 -2.053 6.656 14.357 1.00 0.00 C ATOM 112 C PRO A 31 -1.334 5.405 14.841 1.00 0.00 C ATOM 113 O PRO A 31 -0.115 5.388 14.991 1.00 0.00 O ATOM 114 CB PRO A 31 -2.179 7.679 15.485 1.00 0.00 C ATOM 115 CG PRO A 31 -3.491 7.380 16.121 1.00 0.00 C ATOM 116 CD PRO A 31 -4.384 6.856 15.027 1.00 0.00 C ATOM 0 HA PRO A 31 -1.470 7.017 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.362 7.583 16.200 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.148 8.698 15.100 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.378 6.643 16.916 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.916 8.276 16.574 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.030 6.055 15.388 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.035 7.637 14.634 1.00 0.00 H new ATOM 124 N ASP A 32 -2.112 4.362 15.087 1.00 0.00 N ATOM 125 CA ASP A 32 -1.581 3.082 15.534 1.00 0.00 C ATOM 126 C ASP A 32 -1.170 2.236 14.338 1.00 0.00 C ATOM 127 O ASP A 32 -0.531 1.193 14.487 1.00 0.00 O ATOM 128 CB ASP A 32 -2.630 2.332 16.357 1.00 0.00 C ATOM 129 CG ASP A 32 -3.187 3.171 17.486 1.00 0.00 C ATOM 130 OD1 ASP A 32 -4.188 3.883 17.260 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.637 3.120 18.604 1.00 0.00 O ATOM 0 H ASP A 32 -3.127 4.378 14.983 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.706 3.270 16.156 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.445 2.020 15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.185 1.425 16.767 1.00 0.00 H new ATOM 136 N PHE A 33 -1.542 2.695 13.149 1.00 0.00 N ATOM 137 CA PHE A 33 -1.245 1.976 11.924 1.00 0.00 C ATOM 138 C PHE A 33 0.193 2.247 11.490 1.00 0.00 C ATOM 139 O PHE A 33 0.652 3.392 11.500 1.00 0.00 O ATOM 140 CB PHE A 33 -2.228 2.385 10.822 1.00 0.00 C ATOM 141 CG PHE A 33 -2.097 1.578 9.562 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.555 0.271 9.517 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.523 2.126 8.425 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.441 -0.475 8.362 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.410 1.383 7.267 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.869 0.082 7.237 1.00 0.00 C ATOM 0 H PHE A 33 -2.053 3.567 13.011 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.354 0.907 12.105 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.245 2.287 11.201 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.076 3.438 10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.006 -0.168 10.395 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.161 3.143 8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.799 -1.494 8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.963 1.819 6.386 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.780 -0.501 6.332 1.00 0.00 H new ATOM 156 N GLN A 34 0.899 1.189 11.121 1.00 0.00 N ATOM 157 CA GLN A 34 2.289 1.303 10.707 1.00 0.00 C ATOM 158 C GLN A 34 2.480 0.787 9.290 1.00 0.00 C ATOM 159 O GLN A 34 2.002 -0.294 8.939 1.00 0.00 O ATOM 160 CB GLN A 34 3.196 0.538 11.673 1.00 0.00 C ATOM 161 CG GLN A 34 3.487 1.297 12.954 1.00 0.00 C ATOM 162 CD GLN A 34 4.310 2.545 12.707 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.773 3.627 12.467 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.623 2.402 12.761 1.00 0.00 N ATOM 0 H GLN A 34 0.530 0.238 11.100 1.00 0.00 H new ATOM 0 HA GLN A 34 2.561 2.358 10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.728 -0.415 11.922 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.137 0.310 11.173 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.547 1.573 13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.018 0.645 13.648 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.029 1.488 12.963 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.231 3.206 12.601 1.00 0.00 H new ATOM 173 N ALA A 35 3.180 1.569 8.480 1.00 0.00 N ATOM 174 CA ALA A 35 3.463 1.196 7.107 1.00 0.00 C ATOM 175 C ALA A 35 4.819 1.740 6.688 1.00 0.00 C ATOM 176 O ALA A 35 5.319 2.692 7.286 1.00 0.00 O ATOM 177 CB ALA A 35 2.372 1.711 6.179 1.00 0.00 C ATOM 0 H ALA A 35 3.564 2.473 8.756 1.00 0.00 H new ATOM 0 HA ALA A 35 3.486 0.108 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.601 1.422 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.413 1.283 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.320 2.798 6.247 1.00 0.00 H new ATOM 183 N ARG A 36 5.418 1.130 5.679 1.00 0.00 N ATOM 184 CA ARG A 36 6.707 1.571 5.178 1.00 0.00 C ATOM 185 C ARG A 36 6.717 1.507 3.656 1.00 0.00 C ATOM 186 O ARG A 36 6.076 0.642 3.057 1.00 0.00 O ATOM 187 CB ARG A 36 7.844 0.701 5.741 1.00 0.00 C ATOM 188 CG ARG A 36 7.905 -0.699 5.139 1.00 0.00 C ATOM 189 CD ARG A 36 9.128 -1.480 5.603 1.00 0.00 C ATOM 190 NE ARG A 36 9.015 -1.925 6.994 1.00 0.00 N ATOM 191 CZ ARG A 36 10.048 -2.014 7.829 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.246 -1.596 7.450 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.889 -2.496 9.052 1.00 0.00 N ATOM 0 H ARG A 36 5.029 0.324 5.189 1.00 0.00 H new ATOM 0 HA ARG A 36 6.868 2.599 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.795 1.204 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.724 0.617 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.003 -1.247 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.917 -0.623 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.268 -2.347 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.016 -0.857 5.495 1.00 0.00 H new ATOM 0 HE ARG A 36 8.092 -2.181 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.378 -1.205 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.037 -1.665 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.968 -2.804 9.363 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.688 -2.559 9.683 1.00 0.00 H new ATOM 206 N LEU A 37 7.417 2.439 3.040 1.00 0.00 N ATOM 207 CA LEU A 37 7.642 2.394 1.607 1.00 0.00 C ATOM 208 C LEU A 37 9.054 1.904 1.343 1.00 0.00 C ATOM 209 O LEU A 37 10.013 2.451 1.891 1.00 0.00 O ATOM 210 CB LEU A 37 7.451 3.775 0.973 1.00 0.00 C ATOM 211 CG LEU A 37 6.037 4.351 1.060 1.00 0.00 C ATOM 212 CD1 LEU A 37 5.998 5.760 0.490 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.050 3.459 0.323 1.00 0.00 C ATOM 0 H LEU A 37 7.841 3.239 3.510 1.00 0.00 H new ATOM 0 HA LEU A 37 6.916 1.714 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.139 4.473 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.736 3.716 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 37 5.750 4.393 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.984 6.153 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.675 6.400 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.307 5.738 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.049 3.885 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.338 3.387 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.054 2.465 0.770 1.00 0.00 H new ATOM 225 N THR A 38 9.181 0.858 0.542 1.00 0.00 N ATOM 226 CA THR A 38 10.495 0.364 0.166 1.00 0.00 C ATOM 227 C THR A 38 11.234 1.463 -0.585 1.00 0.00 C ATOM 228 O THR A 38 10.691 2.033 -1.537 1.00 0.00 O ATOM 229 CB THR A 38 10.397 -0.887 -0.728 1.00 0.00 C ATOM 230 OG1 THR A 38 9.736 -0.547 -1.951 1.00 0.00 O ATOM 231 CG2 THR A 38 9.637 -2.003 -0.025 1.00 0.00 C ATOM 0 H THR A 38 8.398 0.339 0.143 1.00 0.00 H new ATOM 0 HA THR A 38 11.032 0.086 1.073 1.00 0.00 H new ATOM 0 HB THR A 38 11.406 -1.243 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.860 0.407 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.583 -2.874 -0.678 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.155 -2.272 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.629 -1.664 0.212 1.00 0.00 H new ATOM 239 N ARG A 39 12.457 1.769 -0.156 1.00 0.00 N ATOM 240 CA ARG A 39 13.186 2.909 -0.704 1.00 0.00 C ATOM 241 C ARG A 39 13.441 2.766 -2.205 1.00 0.00 C ATOM 242 O ARG A 39 13.764 3.745 -2.856 1.00 0.00 O ATOM 243 CB ARG A 39 14.490 3.191 0.077 1.00 0.00 C ATOM 244 CG ARG A 39 15.477 2.030 0.183 1.00 0.00 C ATOM 245 CD ARG A 39 16.206 1.766 -1.124 1.00 0.00 C ATOM 246 NE ARG A 39 16.830 2.974 -1.663 1.00 0.00 N ATOM 247 CZ ARG A 39 17.310 3.059 -2.896 1.00 0.00 C ATOM 248 NH1 ARG A 39 17.342 1.981 -3.664 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.781 4.201 -3.360 1.00 0.00 N ATOM 0 H ARG A 39 12.960 1.248 0.563 1.00 0.00 H new ATOM 0 HA ARG A 39 12.543 3.780 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.998 4.031 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.224 3.508 1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.205 2.247 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.943 1.129 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.970 1.005 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.504 1.365 -1.855 1.00 0.00 H new ATOM 0 HE ARG A 39 16.899 3.793 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.998 1.090 -3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.710 2.042 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.779 5.032 -2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.147 4.253 -4.310 1.00 0.00 H new ATOM 262 N SER A 40 13.323 1.525 -2.705 1.00 0.00 N ATOM 263 CA SER A 40 13.259 1.196 -4.144 1.00 0.00 C ATOM 264 C SER A 40 14.038 2.171 -5.038 1.00 0.00 C ATOM 265 O SER A 40 15.199 1.930 -5.362 1.00 0.00 O ATOM 266 CB SER A 40 11.792 1.122 -4.583 1.00 0.00 C ATOM 267 OG SER A 40 11.650 0.425 -5.809 1.00 0.00 O ATOM 0 H SER A 40 13.268 0.700 -2.107 1.00 0.00 H new ATOM 0 HA SER A 40 13.745 0.228 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.205 0.625 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.392 2.130 -4.688 1.00 0.00 H new ATOM 0 HG SER A 40 10.855 -0.146 -5.770 1.00 0.00 H new ATOM 273 N ASN A 41 13.388 3.263 -5.448 1.00 0.00 N ATOM 274 CA ASN A 41 14.043 4.292 -6.255 1.00 0.00 C ATOM 275 C ASN A 41 14.330 5.520 -5.398 1.00 0.00 C ATOM 276 O ASN A 41 15.396 6.131 -5.493 1.00 0.00 O ATOM 277 CB ASN A 41 13.170 4.675 -7.454 1.00 0.00 C ATOM 278 CG ASN A 41 13.803 5.751 -8.319 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.408 6.999 -8.111 1.00 0.00 O flip ATOM 280 ND2 ASN A 41 14.626 5.456 -9.188 1.00 0.00 N flip ATOM 0 H ASN A 41 12.410 3.456 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 41 14.985 3.892 -6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.984 3.789 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.202 5.025 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.905 4.483 -9.317 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.028 6.185 -9.778 1.00 0.00 H new ATOM 287 N SER A 42 13.363 5.871 -4.566 1.00 0.00 N ATOM 288 CA SER A 42 13.522 6.928 -3.592 1.00 0.00 C ATOM 289 C SER A 42 12.687 6.571 -2.367 1.00 0.00 C ATOM 290 O SER A 42 11.634 5.942 -2.490 1.00 0.00 O ATOM 291 CB SER A 42 13.092 8.270 -4.183 1.00 0.00 C ATOM 292 OG SER A 42 13.458 9.350 -3.341 1.00 0.00 O ATOM 0 H SER A 42 12.445 5.427 -4.550 1.00 0.00 H new ATOM 0 HA SER A 42 14.569 7.025 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.550 8.400 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.012 8.274 -4.333 1.00 0.00 H new ATOM 0 HG SER A 42 12.736 9.526 -2.702 1.00 0.00 H new ATOM 298 N LYS A 43 13.175 6.957 -1.192 1.00 0.00 N ATOM 299 CA LYS A 43 12.646 6.460 0.084 1.00 0.00 C ATOM 300 C LYS A 43 11.151 6.718 0.273 1.00 0.00 C ATOM 301 O LYS A 43 10.500 6.023 1.050 1.00 0.00 O ATOM 302 CB LYS A 43 13.415 7.060 1.264 1.00 0.00 C ATOM 303 CG LYS A 43 13.424 8.583 1.298 1.00 0.00 C ATOM 304 CD LYS A 43 13.925 9.131 2.635 1.00 0.00 C ATOM 305 CE LYS A 43 15.296 8.584 3.019 1.00 0.00 C ATOM 306 NZ LYS A 43 15.206 7.227 3.627 1.00 0.00 N ATOM 0 H LYS A 43 13.944 7.619 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 43 12.784 5.379 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.979 6.690 2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.444 6.703 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.057 8.958 0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.417 8.954 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.974 10.219 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.207 8.882 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.931 8.543 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.774 9.265 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.799 7.189 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.218 7.026 3.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.538 6.517 2.943 1.00 0.00 H new ATOM 319 N CYS A 44 10.605 7.700 -0.422 1.00 0.00 N ATOM 320 CA CYS A 44 9.203 8.038 -0.246 1.00 0.00 C ATOM 321 C CYS A 44 8.393 7.735 -1.496 1.00 0.00 C ATOM 322 O CYS A 44 7.355 8.348 -1.742 1.00 0.00 O ATOM 323 CB CYS A 44 9.063 9.502 0.145 1.00 0.00 C ATOM 324 SG CYS A 44 9.904 9.915 1.708 1.00 0.00 S ATOM 0 H CYS A 44 11.103 8.271 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 44 8.805 7.418 0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.468 10.124 -0.653 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.005 9.747 0.234 1.00 0.00 H new ATOM 329 N GLN A 45 8.868 6.786 -2.285 1.00 0.00 N ATOM 330 CA GLN A 45 8.139 6.338 -3.459 1.00 0.00 C ATOM 331 C GLN A 45 8.546 4.912 -3.818 1.00 0.00 C ATOM 332 O GLN A 45 9.595 4.669 -4.419 1.00 0.00 O ATOM 333 CB GLN A 45 8.359 7.307 -4.628 1.00 0.00 C ATOM 334 CG GLN A 45 9.813 7.564 -4.962 1.00 0.00 C ATOM 335 CD GLN A 45 10.015 8.837 -5.760 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.182 9.839 -5.504 1.00 0.00 O flip ATOM 337 NE2 GLN A 45 10.925 8.928 -6.583 1.00 0.00 N flip ATOM 0 H GLN A 45 9.757 6.310 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 45 7.072 6.332 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.860 6.910 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.880 8.257 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.388 7.624 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.206 6.719 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.543 8.134 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.061 9.798 -7.099 1.00 0.00 H new ATOM 346 N GLY A 46 7.710 3.967 -3.426 1.00 0.00 N ATOM 347 CA GLY A 46 8.041 2.573 -3.615 1.00 0.00 C ATOM 348 C GLY A 46 6.902 1.650 -3.240 1.00 0.00 C ATOM 349 O GLY A 46 5.740 2.063 -3.226 1.00 0.00 O ATOM 0 H GLY A 46 6.809 4.140 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.312 2.405 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.917 2.326 -3.015 1.00 0.00 H new ATOM 353 N GLN A 47 7.239 0.408 -2.922 1.00 0.00 N ATOM 354 CA GLN A 47 6.249 -0.603 -2.583 1.00 0.00 C ATOM 355 C GLN A 47 5.721 -0.370 -1.173 1.00 0.00 C ATOM 356 O GLN A 47 6.489 -0.077 -0.255 1.00 0.00 O ATOM 357 CB GLN A 47 6.878 -1.994 -2.681 1.00 0.00 C ATOM 358 CG GLN A 47 7.595 -2.240 -4.000 1.00 0.00 C ATOM 359 CD GLN A 47 8.420 -3.510 -3.993 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.942 -4.575 -4.367 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.664 -3.402 -3.563 1.00 0.00 N ATOM 0 H GLN A 47 8.202 0.074 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 47 5.417 -0.534 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.585 -2.124 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.100 -2.747 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.860 -2.294 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.244 -1.392 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.022 -2.496 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.267 -4.224 -3.533 1.00 0.00 H new ATOM 370 N LEU A 48 4.414 -0.494 -1.009 1.00 0.00 N ATOM 371 CA LEU A 48 3.788 -0.268 0.284 1.00 0.00 C ATOM 372 C LEU A 48 3.725 -1.553 1.099 1.00 0.00 C ATOM 373 O LEU A 48 3.004 -2.493 0.747 1.00 0.00 O ATOM 374 CB LEU A 48 2.374 0.296 0.101 1.00 0.00 C ATOM 375 CG LEU A 48 1.638 0.659 1.397 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.338 1.799 2.119 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.194 1.028 1.105 1.00 0.00 C ATOM 0 H LEU A 48 3.766 -0.750 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 48 4.398 0.455 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.434 1.187 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.777 -0.436 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 48 1.650 -0.216 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.796 2.037 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.357 1.501 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.363 2.677 1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.312 1.282 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.166 1.884 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.310 0.182 0.637 1.00 0.00 H new ATOM 389 N GLU A 49 4.486 -1.591 2.181 1.00 0.00 N ATOM 390 CA GLU A 49 4.410 -2.689 3.132 1.00 0.00 C ATOM 391 C GLU A 49 3.740 -2.202 4.405 1.00 0.00 C ATOM 392 O GLU A 49 4.127 -1.176 4.968 1.00 0.00 O ATOM 393 CB GLU A 49 5.796 -3.250 3.465 1.00 0.00 C ATOM 394 CG GLU A 49 6.515 -3.886 2.288 1.00 0.00 C ATOM 395 CD GLU A 49 7.859 -4.466 2.681 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.826 -3.691 2.839 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.952 -5.702 2.843 1.00 0.00 O ATOM 0 H GLU A 49 5.166 -0.871 2.423 1.00 0.00 H new ATOM 0 HA GLU A 49 3.827 -3.490 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.415 -2.445 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.694 -3.992 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.891 -4.674 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.658 -3.140 1.506 1.00 0.00 H new ATOM 404 N VAL A 50 2.735 -2.928 4.851 1.00 0.00 N ATOM 405 CA VAL A 50 1.987 -2.543 6.035 1.00 0.00 C ATOM 406 C VAL A 50 2.187 -3.556 7.152 1.00 0.00 C ATOM 407 O VAL A 50 2.449 -4.733 6.897 1.00 0.00 O ATOM 408 CB VAL A 50 0.478 -2.393 5.737 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.240 -1.292 4.714 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.125 -3.710 5.261 1.00 0.00 C ATOM 0 H VAL A 50 2.415 -3.791 4.411 1.00 0.00 H new ATOM 0 HA VAL A 50 2.371 -1.574 6.353 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.020 -2.115 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.828 -1.202 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.618 -0.346 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.759 -1.538 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.187 -3.572 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.378 -4.032 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.002 -4.469 6.033 1.00 0.00 H new ATOM 420 N TYR A 51 2.086 -3.088 8.387 1.00 0.00 N ATOM 421 CA TYR A 51 2.243 -3.954 9.545 1.00 0.00 C ATOM 422 C TYR A 51 0.880 -4.444 10.014 1.00 0.00 C ATOM 423 O TYR A 51 0.057 -3.661 10.493 1.00 0.00 O ATOM 424 CB TYR A 51 2.964 -3.212 10.677 1.00 0.00 C ATOM 425 CG TYR A 51 3.273 -4.080 11.883 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.375 -4.930 11.890 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.463 -4.052 13.013 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.657 -5.724 12.985 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.740 -4.844 14.110 1.00 0.00 C ATOM 430 CZ TYR A 51 3.837 -5.677 14.092 1.00 0.00 C ATOM 431 OH TYR A 51 4.111 -6.470 15.183 1.00 0.00 O ATOM 0 H TYR A 51 1.896 -2.112 8.613 1.00 0.00 H new ATOM 0 HA TYR A 51 2.849 -4.815 9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.896 -2.798 10.291 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.349 -2.370 10.996 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.021 -4.970 11.025 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.602 -3.400 13.033 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.516 -6.379 12.974 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.099 -4.810 14.979 1.00 0.00 H new ATOM 0 HH TYR A 51 3.437 -6.315 15.877 1.00 0.00 H new ATOM 441 N LEU A 52 0.643 -5.737 9.857 1.00 0.00 N ATOM 442 CA LEU A 52 -0.613 -6.339 10.276 1.00 0.00 C ATOM 443 C LEU A 52 -0.476 -6.903 11.685 1.00 0.00 C ATOM 444 O LEU A 52 0.518 -6.644 12.363 1.00 0.00 O ATOM 445 CB LEU A 52 -1.023 -7.448 9.297 1.00 0.00 C ATOM 446 CG LEU A 52 -1.192 -7.013 7.840 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.507 -8.217 6.965 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.284 -5.960 7.706 1.00 0.00 C ATOM 0 H LEU A 52 1.306 -6.391 9.441 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.388 -5.573 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.274 -8.239 9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.963 -7.882 9.640 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.254 -6.570 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.625 -7.894 5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.691 -8.937 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.431 -8.684 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.383 -5.669 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.230 -6.370 8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.022 -5.086 8.302 1.00 0.00 H new ATOM 460 N LYS A 53 -1.459 -7.681 12.123 1.00 0.00 N ATOM 461 CA LYS A 53 -1.420 -8.282 13.453 1.00 0.00 C ATOM 462 C LYS A 53 -0.214 -9.216 13.586 1.00 0.00 C ATOM 463 O LYS A 53 0.307 -9.438 14.680 1.00 0.00 O ATOM 464 CB LYS A 53 -2.715 -9.059 13.719 1.00 0.00 C ATOM 465 CG LYS A 53 -2.894 -9.472 15.171 1.00 0.00 C ATOM 466 CD LYS A 53 -3.118 -8.262 16.064 1.00 0.00 C ATOM 467 CE LYS A 53 -3.140 -8.641 17.536 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.835 -9.194 17.984 1.00 0.00 N ATOM 0 H LYS A 53 -2.291 -7.911 11.579 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.325 -7.484 14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.564 -8.446 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.728 -9.951 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.742 -10.152 15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.012 -10.018 15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.329 -7.531 15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.061 -7.784 15.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.387 -7.763 18.133 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.925 -9.377 17.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.793 -9.187 19.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.735 -10.170 17.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.062 -8.612 17.603 1.00 0.00 H new ATOM 481 N ASP A 54 0.218 -9.760 12.459 1.00 0.00 N ATOM 482 CA ASP A 54 1.356 -10.668 12.426 1.00 0.00 C ATOM 483 C ASP A 54 2.662 -9.933 12.116 1.00 0.00 C ATOM 484 O ASP A 54 3.537 -9.830 12.978 1.00 0.00 O ATOM 485 CB ASP A 54 1.111 -11.802 11.419 1.00 0.00 C ATOM 486 CG ASP A 54 0.503 -11.319 10.116 1.00 0.00 C ATOM 487 OD1 ASP A 54 1.262 -10.976 9.189 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.746 -11.280 10.019 1.00 0.00 O ATOM 0 H ASP A 54 -0.206 -9.587 11.548 1.00 0.00 H new ATOM 0 HA ASP A 54 1.460 -11.103 13.420 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.056 -12.303 11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.450 -12.543 11.869 1.00 0.00 H new ATOM 493 N GLY A 55 2.802 -9.425 10.900 1.00 0.00 N ATOM 494 CA GLY A 55 4.026 -8.747 10.526 1.00 0.00 C ATOM 495 C GLY A 55 3.860 -7.840 9.328 1.00 0.00 C ATOM 496 O GLY A 55 2.747 -7.420 9.004 1.00 0.00 O ATOM 0 H GLY A 55 2.093 -9.470 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.382 -8.159 11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.794 -9.490 10.308 1.00 0.00 H new ATOM 500 N TRP A 56 4.969 -7.547 8.667 1.00 0.00 N ATOM 501 CA TRP A 56 4.971 -6.655 7.520 1.00 0.00 C ATOM 502 C TRP A 56 4.630 -7.420 6.251 1.00 0.00 C ATOM 503 O TRP A 56 5.206 -8.472 5.974 1.00 0.00 O ATOM 504 CB TRP A 56 6.337 -5.976 7.368 1.00 0.00 C ATOM 505 CG TRP A 56 6.671 -5.045 8.497 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.386 -5.337 9.625 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.302 -3.666 8.604 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.478 -4.224 10.426 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.821 -3.185 9.821 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.584 -2.790 7.789 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.640 -1.869 10.241 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.407 -1.487 8.205 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.933 -1.037 9.420 1.00 0.00 C ATOM 0 H TRP A 56 5.887 -7.919 8.909 1.00 0.00 H new ATOM 0 HA TRP A 56 4.214 -5.888 7.684 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.109 -6.742 7.299 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.355 -5.419 6.431 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.816 -6.301 9.853 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.958 -4.179 11.325 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.174 -3.127 6.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.043 -1.520 11.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.852 -0.802 7.581 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.777 -0.010 9.716 1.00 0.00 H new ATOM 524 N HIS A 57 3.683 -6.898 5.490 1.00 0.00 N ATOM 525 CA HIS A 57 3.277 -7.527 4.243 1.00 0.00 C ATOM 526 C HIS A 57 3.047 -6.488 3.160 1.00 0.00 C ATOM 527 O HIS A 57 2.689 -5.346 3.443 1.00 0.00 O ATOM 528 CB HIS A 57 2.017 -8.370 4.444 1.00 0.00 C ATOM 529 CG HIS A 57 2.304 -9.762 4.912 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.608 -10.794 4.048 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.339 -10.292 6.157 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.813 -11.898 4.740 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.658 -11.623 6.022 1.00 0.00 N ATOM 0 H HIS A 57 3.180 -6.039 5.714 1.00 0.00 H new ATOM 0 HA HIS A 57 4.086 -8.184 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.370 -7.877 5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.466 -8.416 3.505 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.665 -10.715 3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.152 -9.768 7.083 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.065 -12.864 4.328 1.00 0.00 H new ATOM 541 N MET A 58 3.253 -6.902 1.921 1.00 0.00 N ATOM 542 CA MET A 58 3.164 -6.005 0.777 1.00 0.00 C ATOM 543 C MET A 58 1.725 -5.892 0.295 1.00 0.00 C ATOM 544 O MET A 58 1.052 -6.902 0.106 1.00 0.00 O ATOM 545 CB MET A 58 4.044 -6.524 -0.359 1.00 0.00 C ATOM 546 CG MET A 58 5.520 -6.602 -0.009 1.00 0.00 C ATOM 547 SD MET A 58 6.478 -7.421 -1.293 1.00 0.00 S ATOM 548 CE MET A 58 6.024 -6.423 -2.705 1.00 0.00 C ATOM 0 H MET A 58 3.486 -7.865 1.678 1.00 0.00 H new ATOM 0 HA MET A 58 3.509 -5.018 1.085 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.697 -7.515 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.920 -5.876 -1.226 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.909 -5.596 0.147 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.641 -7.139 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.861 -6.376 -3.402 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.162 -6.868 -3.203 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.772 -5.416 -2.373 1.00 0.00 H new ATOM 558 N VAL A 59 1.258 -4.670 0.089 1.00 0.00 N ATOM 559 CA VAL A 59 -0.110 -4.449 -0.361 1.00 0.00 C ATOM 560 C VAL A 59 -0.220 -4.631 -1.872 1.00 0.00 C ATOM 561 O VAL A 59 0.530 -4.024 -2.640 1.00 0.00 O ATOM 562 CB VAL A 59 -0.625 -3.044 0.023 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.060 -2.839 -0.454 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.528 -2.834 1.524 1.00 0.00 C ATOM 0 H VAL A 59 1.803 -3.818 0.225 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.730 -5.191 0.142 1.00 0.00 H new ATOM 0 HB VAL A 59 0.005 -2.305 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.399 -1.842 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.101 -2.942 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.707 -3.586 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.895 -1.839 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.131 -3.584 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.512 -2.928 1.838 1.00 0.00 H new ATOM 574 N CYS A 60 -1.150 -5.474 -2.291 1.00 0.00 N ATOM 575 CA CYS A 60 -1.380 -5.712 -3.706 1.00 0.00 C ATOM 576 C CYS A 60 -2.459 -4.759 -4.212 1.00 0.00 C ATOM 577 O CYS A 60 -3.424 -4.477 -3.499 1.00 0.00 O ATOM 578 CB CYS A 60 -1.809 -7.165 -3.933 1.00 0.00 C ATOM 579 SG CYS A 60 -1.708 -7.717 -5.665 1.00 0.00 S ATOM 0 H CYS A 60 -1.759 -6.006 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.456 -5.534 -4.256 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.185 -7.815 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.835 -7.287 -3.585 1.00 0.00 H new ATOM 584 N SER A 61 -2.303 -4.273 -5.440 1.00 0.00 N ATOM 585 CA SER A 61 -3.249 -3.321 -6.018 1.00 0.00 C ATOM 586 C SER A 61 -4.501 -4.025 -6.551 1.00 0.00 C ATOM 587 O SER A 61 -5.090 -3.609 -7.546 1.00 0.00 O ATOM 588 CB SER A 61 -2.566 -2.520 -7.128 1.00 0.00 C ATOM 589 OG SER A 61 -1.880 -3.375 -8.027 1.00 0.00 O ATOM 0 H SER A 61 -1.529 -4.523 -6.056 1.00 0.00 H new ATOM 0 HA SER A 61 -3.570 -2.639 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.310 -1.938 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.864 -1.810 -6.690 1.00 0.00 H new ATOM 0 HG SER A 61 -0.982 -3.560 -7.681 1.00 0.00 H new ATOM 595 N GLN A 62 -4.884 -5.107 -5.886 1.00 0.00 N ATOM 596 CA GLN A 62 -6.118 -5.819 -6.192 1.00 0.00 C ATOM 597 C GLN A 62 -7.008 -5.843 -4.958 1.00 0.00 C ATOM 598 O GLN A 62 -7.866 -6.715 -4.806 1.00 0.00 O ATOM 599 CB GLN A 62 -5.812 -7.249 -6.649 1.00 0.00 C ATOM 600 CG GLN A 62 -5.055 -7.321 -7.964 1.00 0.00 C ATOM 601 CD GLN A 62 -5.897 -6.875 -9.143 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.550 -7.684 -9.795 1.00 0.00 O ATOM 603 NE2 GLN A 62 -5.908 -5.582 -9.410 1.00 0.00 N ATOM 0 H GLN A 62 -4.349 -5.516 -5.120 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.635 -5.303 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.229 -7.751 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.749 -7.797 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.164 -6.697 -7.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.717 -8.344 -8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.352 -4.940 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.473 -5.225 -10.181 1.00 0.00 H new ATOM 612 N SER A 63 -6.796 -4.872 -4.082 1.00 0.00 N ATOM 613 CA SER A 63 -7.489 -4.817 -2.809 1.00 0.00 C ATOM 614 C SER A 63 -8.753 -3.972 -2.914 1.00 0.00 C ATOM 615 O SER A 63 -8.875 -3.139 -3.812 1.00 0.00 O ATOM 616 CB SER A 63 -6.559 -4.238 -1.738 1.00 0.00 C ATOM 617 OG SER A 63 -5.410 -5.056 -1.565 1.00 0.00 O ATOM 0 H SER A 63 -6.141 -4.105 -4.235 1.00 0.00 H new ATOM 0 HA SER A 63 -7.778 -5.830 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.253 -3.231 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.095 -4.153 -0.793 1.00 0.00 H new ATOM 0 HG SER A 63 -4.744 -4.833 -2.248 1.00 0.00 H new ATOM 623 N TRP A 64 -9.692 -4.218 -2.001 1.00 0.00 N ATOM 624 CA TRP A 64 -10.926 -3.431 -1.885 1.00 0.00 C ATOM 625 C TRP A 64 -11.773 -3.491 -3.162 1.00 0.00 C ATOM 626 O TRP A 64 -12.713 -2.712 -3.330 1.00 0.00 O ATOM 627 CB TRP A 64 -10.597 -1.971 -1.535 1.00 0.00 C ATOM 628 CG TRP A 64 -9.667 -1.835 -0.364 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.914 -2.201 0.926 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.342 -1.290 -0.379 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.822 -1.926 1.713 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.844 -1.368 0.936 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.525 -0.750 -1.376 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.571 -0.921 1.277 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.261 -0.308 -1.034 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.796 -0.399 0.281 1.00 0.00 C ATOM 0 H TRP A 64 -9.621 -4.971 -1.317 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.516 -3.871 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -10.149 -1.489 -2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.523 -1.439 -1.318 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.834 -2.643 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.752 -2.108 2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.875 -0.679 -2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.209 -0.985 2.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.622 0.115 -1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.801 -0.049 0.515 1.00 0.00 H new ATOM 647 N GLY A 65 -11.460 -4.435 -4.043 1.00 0.00 N ATOM 648 CA GLY A 65 -12.169 -4.538 -5.305 1.00 0.00 C ATOM 649 C GLY A 65 -11.812 -3.406 -6.252 1.00 0.00 C ATOM 650 O GLY A 65 -12.636 -2.974 -7.063 1.00 0.00 O ATOM 0 H GLY A 65 -10.727 -5.131 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.934 -5.492 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.243 -4.530 -5.119 1.00 0.00 H new ATOM 654 N ARG A 66 -10.587 -2.912 -6.136 1.00 0.00 N ATOM 655 CA ARG A 66 -10.108 -1.846 -6.998 1.00 0.00 C ATOM 656 C ARG A 66 -9.095 -2.397 -7.991 1.00 0.00 C ATOM 657 O ARG A 66 -8.236 -3.204 -7.634 1.00 0.00 O ATOM 658 CB ARG A 66 -9.487 -0.725 -6.159 1.00 0.00 C ATOM 659 CG ARG A 66 -10.462 -0.097 -5.175 1.00 0.00 C ATOM 660 CD ARG A 66 -11.556 0.682 -5.890 1.00 0.00 C ATOM 661 NE ARG A 66 -12.650 1.042 -4.990 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.759 2.218 -4.383 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.815 3.131 -4.532 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.799 2.479 -3.609 1.00 0.00 N ATOM 0 H ARG A 66 -9.906 -3.236 -5.449 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.950 -1.432 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.633 -1.122 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.105 0.049 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.912 -0.877 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.922 0.568 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.132 1.587 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.946 0.085 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.375 0.346 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.001 2.933 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.900 4.034 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.524 1.775 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.876 3.385 -3.146 1.00 0.00 H new ATOM 677 N SER A 67 -9.216 -1.967 -9.237 1.00 0.00 N ATOM 678 CA SER A 67 -8.349 -2.446 -10.301 1.00 0.00 C ATOM 679 C SER A 67 -6.975 -1.793 -10.199 1.00 0.00 C ATOM 680 O SER A 67 -6.840 -0.691 -9.660 1.00 0.00 O ATOM 681 CB SER A 67 -8.985 -2.151 -11.663 1.00 0.00 C ATOM 682 OG SER A 67 -8.288 -2.804 -12.713 1.00 0.00 O ATOM 0 H SER A 67 -9.911 -1.283 -9.537 1.00 0.00 H new ATOM 0 HA SER A 67 -8.224 -3.524 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.026 -2.476 -11.658 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.987 -1.075 -11.840 1.00 0.00 H new ATOM 0 HG SER A 67 -8.718 -2.598 -13.569 1.00 0.00 H new ATOM 688 N SER A 68 -5.964 -2.470 -10.733 1.00 0.00 N ATOM 689 CA SER A 68 -4.583 -2.024 -10.622 1.00 0.00 C ATOM 690 C SER A 68 -4.280 -0.887 -11.597 1.00 0.00 C ATOM 691 O SER A 68 -3.582 -1.071 -12.599 1.00 0.00 O ATOM 692 CB SER A 68 -3.643 -3.204 -10.864 1.00 0.00 C ATOM 693 OG SER A 68 -4.019 -3.923 -12.026 1.00 0.00 O ATOM 0 H SER A 68 -6.080 -3.340 -11.253 1.00 0.00 H new ATOM 0 HA SER A 68 -4.427 -1.638 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.620 -2.843 -10.971 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.658 -3.869 -10.000 1.00 0.00 H new ATOM 0 HG SER A 68 -4.042 -3.315 -12.794 1.00 0.00 H new ATOM 699 N LYS A 69 -4.815 0.281 -11.293 1.00 0.00 N ATOM 700 CA LYS A 69 -4.578 1.475 -12.079 1.00 0.00 C ATOM 701 C LYS A 69 -4.519 2.671 -11.142 1.00 0.00 C ATOM 702 O LYS A 69 -4.956 2.575 -9.995 1.00 0.00 O ATOM 703 CB LYS A 69 -5.682 1.652 -13.141 1.00 0.00 C ATOM 704 CG LYS A 69 -7.092 1.805 -12.579 1.00 0.00 C ATOM 705 CD LYS A 69 -8.135 1.719 -13.687 1.00 0.00 C ATOM 706 CE LYS A 69 -9.554 1.873 -13.154 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.887 3.285 -12.817 1.00 0.00 N ATOM 0 H LYS A 69 -5.428 0.428 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.630 1.388 -12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.449 2.530 -13.744 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.664 0.792 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.278 1.027 -11.838 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.180 2.762 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.941 2.495 -14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.042 0.760 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.260 1.504 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.674 1.253 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.862 3.336 -12.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.232 3.631 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.800 3.875 -13.669 1.00 0.00 H new ATOM 720 N GLN A 70 -3.949 3.772 -11.614 1.00 0.00 N ATOM 721 CA GLN A 70 -3.830 4.973 -10.798 1.00 0.00 C ATOM 722 C GLN A 70 -5.210 5.505 -10.442 1.00 0.00 C ATOM 723 O GLN A 70 -5.902 6.072 -11.292 1.00 0.00 O ATOM 724 CB GLN A 70 -3.025 6.052 -11.530 1.00 0.00 C ATOM 725 CG GLN A 70 -2.924 7.363 -10.765 1.00 0.00 C ATOM 726 CD GLN A 70 -2.159 8.429 -11.528 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.255 8.126 -12.304 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.522 9.684 -11.316 1.00 0.00 N ATOM 0 H GLN A 70 -3.563 3.858 -12.554 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.301 4.711 -9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.020 5.675 -11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.486 6.242 -12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.927 7.729 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.433 7.184 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.278 9.893 -10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.046 10.442 -11.805 1.00 0.00 H new ATOM 737 N TRP A 71 -5.613 5.296 -9.196 1.00 0.00 N ATOM 738 CA TRP A 71 -6.909 5.751 -8.734 1.00 0.00 C ATOM 739 C TRP A 71 -6.847 7.247 -8.469 1.00 0.00 C ATOM 740 O TRP A 71 -5.877 7.737 -7.886 1.00 0.00 O ATOM 741 CB TRP A 71 -7.333 4.990 -7.473 1.00 0.00 C ATOM 742 CG TRP A 71 -8.786 5.149 -7.149 1.00 0.00 C ATOM 743 CD1 TRP A 71 -9.334 5.969 -6.208 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.881 4.465 -7.774 1.00 0.00 C ATOM 745 NE1 TRP A 71 -10.702 5.843 -6.211 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.061 4.924 -7.163 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.975 3.511 -8.791 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -12.319 4.462 -7.536 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -11.226 3.052 -9.157 1.00 0.00 C ATOM 750 CH2 TRP A 71 -12.382 3.530 -8.532 1.00 0.00 C ATOM 0 H TRP A 71 -5.058 4.813 -8.490 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.656 5.554 -9.503 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.110 3.931 -7.603 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -6.739 5.339 -6.629 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.774 6.622 -5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.346 6.350 -5.604 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.087 3.140 -9.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.214 4.828 -7.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.312 2.312 -9.939 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.345 3.154 -8.844 1.00 0.00 H new ATOM 761 N GLU A 72 -7.873 7.968 -8.899 1.00 0.00 N ATOM 762 CA GLU A 72 -7.854 9.422 -8.855 1.00 0.00 C ATOM 763 C GLU A 72 -8.198 9.939 -7.458 1.00 0.00 C ATOM 764 O GLU A 72 -9.163 10.684 -7.276 1.00 0.00 O ATOM 765 CB GLU A 72 -8.828 9.994 -9.888 1.00 0.00 C ATOM 766 CG GLU A 72 -8.277 11.195 -10.643 1.00 0.00 C ATOM 767 CD GLU A 72 -7.889 12.339 -9.732 1.00 0.00 C ATOM 768 OE1 GLU A 72 -6.749 12.341 -9.226 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.729 13.242 -9.519 1.00 0.00 O ATOM 0 H GLU A 72 -8.730 7.569 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.844 9.754 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.087 9.213 -10.603 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.750 10.283 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.406 10.886 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.024 11.543 -11.356 1.00 0.00 H new ATOM 776 N ASP A 73 -7.413 9.521 -6.477 1.00 0.00 N ATOM 777 CA ASP A 73 -7.514 10.046 -5.120 1.00 0.00 C ATOM 778 C ASP A 73 -6.323 9.566 -4.294 1.00 0.00 C ATOM 779 O ASP A 73 -6.469 8.740 -3.392 1.00 0.00 O ATOM 780 CB ASP A 73 -8.828 9.623 -4.448 1.00 0.00 C ATOM 781 CG ASP A 73 -9.106 10.399 -3.168 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.258 11.232 -2.766 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.174 10.184 -2.560 1.00 0.00 O ATOM 0 H ASP A 73 -6.690 8.811 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.506 11.135 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.653 9.771 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.790 8.557 -4.222 1.00 0.00 H new ATOM 788 N PRO A 74 -5.112 10.072 -4.598 1.00 0.00 N ATOM 789 CA PRO A 74 -3.908 9.688 -3.870 1.00 0.00 C ATOM 790 C PRO A 74 -3.832 10.368 -2.513 1.00 0.00 C ATOM 791 O PRO A 74 -3.062 9.962 -1.643 1.00 0.00 O ATOM 792 CB PRO A 74 -2.774 10.157 -4.780 1.00 0.00 C ATOM 793 CG PRO A 74 -3.343 11.303 -5.541 1.00 0.00 C ATOM 794 CD PRO A 74 -4.824 11.048 -5.669 1.00 0.00 C ATOM 0 HA PRO A 74 -3.873 8.619 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.902 10.461 -4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.449 9.360 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.156 12.243 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.878 11.384 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.400 11.965 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.077 10.649 -6.651 1.00 0.00 H new ATOM 802 N SER A 75 -4.657 11.394 -2.333 1.00 0.00 N ATOM 803 CA SER A 75 -4.679 12.151 -1.094 1.00 0.00 C ATOM 804 C SER A 75 -5.266 11.326 0.048 1.00 0.00 C ATOM 805 O SER A 75 -5.079 11.660 1.217 1.00 0.00 O ATOM 806 CB SER A 75 -5.456 13.450 -1.281 1.00 0.00 C ATOM 807 OG SER A 75 -4.867 14.235 -2.303 1.00 0.00 O ATOM 0 H SER A 75 -5.321 11.719 -3.036 1.00 0.00 H new ATOM 0 HA SER A 75 -3.651 12.397 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.492 13.228 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.471 14.010 -0.346 1.00 0.00 H new ATOM 0 HG SER A 75 -5.377 15.065 -2.413 1.00 0.00 H new ATOM 813 N GLN A 76 -5.962 10.240 -0.291 1.00 0.00 N ATOM 814 CA GLN A 76 -6.398 9.276 0.712 1.00 0.00 C ATOM 815 C GLN A 76 -5.184 8.773 1.487 1.00 0.00 C ATOM 816 O GLN A 76 -5.243 8.554 2.694 1.00 0.00 O ATOM 817 CB GLN A 76 -7.115 8.084 0.060 1.00 0.00 C ATOM 818 CG GLN A 76 -8.490 8.399 -0.515 1.00 0.00 C ATOM 819 CD GLN A 76 -9.553 8.607 0.550 1.00 0.00 C ATOM 820 OE1 GLN A 76 -10.195 7.654 0.998 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.780 9.853 0.930 1.00 0.00 N ATOM 0 H GLN A 76 -6.233 10.009 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.098 9.771 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.485 7.692 -0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.220 7.292 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.422 9.296 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.797 7.585 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.228 10.615 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.507 10.052 1.617 1.00 0.00 H new ATOM 830 N ALA A 77 -4.066 8.646 0.778 1.00 0.00 N ATOM 831 CA ALA A 77 -2.851 8.083 1.341 1.00 0.00 C ATOM 832 C ALA A 77 -1.895 9.179 1.799 1.00 0.00 C ATOM 833 O ALA A 77 -0.736 8.912 2.123 1.00 0.00 O ATOM 834 CB ALA A 77 -2.170 7.187 0.318 1.00 0.00 C ATOM 0 H ALA A 77 -3.981 8.930 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.125 7.489 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.260 6.769 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.844 6.377 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.918 7.771 -0.567 1.00 0.00 H new ATOM 840 N SER A 78 -2.388 10.413 1.829 1.00 0.00 N ATOM 841 CA SER A 78 -1.582 11.551 2.260 1.00 0.00 C ATOM 842 C SER A 78 -1.083 11.340 3.689 1.00 0.00 C ATOM 843 O SER A 78 0.043 11.708 4.029 1.00 0.00 O ATOM 844 CB SER A 78 -2.402 12.846 2.164 1.00 0.00 C ATOM 845 OG SER A 78 -1.612 13.985 2.452 1.00 0.00 O ATOM 0 H SER A 78 -3.343 10.651 1.560 1.00 0.00 H new ATOM 0 HA SER A 78 -0.717 11.636 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.823 12.938 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.241 12.799 2.859 1.00 0.00 H new ATOM 0 HG SER A 78 -2.163 14.792 2.381 1.00 0.00 H new ATOM 851 N LYS A 79 -1.918 10.708 4.509 1.00 0.00 N ATOM 852 CA LYS A 79 -1.575 10.436 5.898 1.00 0.00 C ATOM 853 C LYS A 79 -0.408 9.454 5.994 1.00 0.00 C ATOM 854 O LYS A 79 0.379 9.512 6.936 1.00 0.00 O ATOM 855 CB LYS A 79 -2.797 9.900 6.644 1.00 0.00 C ATOM 856 CG LYS A 79 -3.960 10.879 6.664 1.00 0.00 C ATOM 857 CD LYS A 79 -3.616 12.133 7.454 1.00 0.00 C ATOM 858 CE LYS A 79 -4.662 13.225 7.275 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.647 13.787 5.897 1.00 0.00 N ATOM 0 H LYS A 79 -2.841 10.374 4.232 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.261 11.370 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.121 8.970 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.514 9.661 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.226 11.152 5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.834 10.399 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.530 11.883 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.643 12.507 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.651 12.820 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.480 14.023 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.193 14.672 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.666 13.979 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.072 13.103 5.239 1.00 0.00 H new ATOM 872 N VAL A 80 -0.287 8.569 5.009 1.00 0.00 N ATOM 873 CA VAL A 80 0.835 7.641 4.960 1.00 0.00 C ATOM 874 C VAL A 80 2.128 8.405 4.718 1.00 0.00 C ATOM 875 O VAL A 80 3.098 8.245 5.457 1.00 0.00 O ATOM 876 CB VAL A 80 0.658 6.568 3.860 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.913 5.711 3.732 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.550 5.693 4.157 1.00 0.00 C ATOM 0 H VAL A 80 -0.949 8.476 4.238 1.00 0.00 H new ATOM 0 HA VAL A 80 0.875 7.129 5.921 1.00 0.00 H new ATOM 0 HB VAL A 80 0.493 7.079 2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.765 4.964 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.761 6.344 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.111 5.212 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.659 4.944 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.412 5.195 5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.447 6.311 4.195 1.00 0.00 H new ATOM 888 N CYS A 81 2.125 9.261 3.699 1.00 0.00 N ATOM 889 CA CYS A 81 3.284 10.090 3.394 1.00 0.00 C ATOM 890 C CYS A 81 3.663 10.931 4.610 1.00 0.00 C ATOM 891 O CYS A 81 4.840 11.056 4.948 1.00 0.00 O ATOM 892 CB CYS A 81 2.994 11.004 2.200 1.00 0.00 C ATOM 893 SG CYS A 81 2.584 10.134 0.648 1.00 0.00 S ATOM 0 H CYS A 81 1.332 9.397 3.072 1.00 0.00 H new ATOM 0 HA CYS A 81 4.117 9.435 3.138 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.166 11.664 2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.864 11.637 2.026 1.00 0.00 H new ATOM 898 N GLN A 82 2.649 11.480 5.277 1.00 0.00 N ATOM 899 CA GLN A 82 2.853 12.301 6.466 1.00 0.00 C ATOM 900 C GLN A 82 3.519 11.491 7.580 1.00 0.00 C ATOM 901 O GLN A 82 4.518 11.919 8.159 1.00 0.00 O ATOM 902 CB GLN A 82 1.509 12.859 6.952 1.00 0.00 C ATOM 903 CG GLN A 82 1.627 13.840 8.108 1.00 0.00 C ATOM 904 CD GLN A 82 0.280 14.308 8.621 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.708 13.570 8.589 1.00 0.00 O ATOM 906 NE2 GLN A 82 0.227 15.546 9.081 1.00 0.00 N ATOM 0 H GLN A 82 1.671 11.369 5.010 1.00 0.00 H new ATOM 0 HA GLN A 82 3.513 13.129 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.010 13.354 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.872 12.029 7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.178 13.370 8.923 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.209 14.704 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.068 16.123 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.655 15.924 9.427 1.00 0.00 H new ATOM 915 N ARG A 83 2.970 10.312 7.860 1.00 0.00 N ATOM 916 CA ARG A 83 3.490 9.443 8.919 1.00 0.00 C ATOM 917 C ARG A 83 4.908 8.966 8.603 1.00 0.00 C ATOM 918 O ARG A 83 5.701 8.705 9.507 1.00 0.00 O ATOM 919 CB ARG A 83 2.566 8.234 9.116 1.00 0.00 C ATOM 920 CG ARG A 83 1.238 8.570 9.786 1.00 0.00 C ATOM 921 CD ARG A 83 1.365 8.611 11.302 1.00 0.00 C ATOM 922 NE ARG A 83 1.657 7.288 11.857 1.00 0.00 N ATOM 923 CZ ARG A 83 2.178 7.089 13.064 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.469 8.121 13.840 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.419 5.864 13.497 1.00 0.00 N ATOM 0 H ARG A 83 2.161 9.933 7.367 1.00 0.00 H new ATOM 0 HA ARG A 83 3.524 10.026 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.367 7.780 8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.085 7.487 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.882 9.535 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.490 7.829 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.157 9.306 11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.439 8.991 11.735 1.00 0.00 H new ATOM 0 HE ARG A 83 1.448 6.471 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.294 9.071 13.512 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.869 7.966 14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.205 5.062 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.819 5.720 14.424 1.00 0.00 H new ATOM 938 N LEU A 84 5.227 8.874 7.320 1.00 0.00 N ATOM 939 CA LEU A 84 6.538 8.399 6.891 1.00 0.00 C ATOM 940 C LEU A 84 7.535 9.545 6.728 1.00 0.00 C ATOM 941 O LEU A 84 8.631 9.343 6.203 1.00 0.00 O ATOM 942 CB LEU A 84 6.429 7.611 5.582 1.00 0.00 C ATOM 943 CG LEU A 84 6.180 6.106 5.731 1.00 0.00 C ATOM 944 CD1 LEU A 84 4.870 5.818 6.448 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.192 5.440 4.369 1.00 0.00 C ATOM 0 H LEU A 84 4.597 9.122 6.557 1.00 0.00 H new ATOM 0 HA LEU A 84 6.911 7.740 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.620 8.037 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.349 7.754 5.016 1.00 0.00 H new ATOM 0 HG LEU A 84 6.984 5.695 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.731 4.740 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.895 6.260 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.043 6.247 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.014 4.371 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.409 5.872 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.161 5.597 3.896 1.00 0.00 H new ATOM 957 N ASN A 85 7.150 10.740 7.185 1.00 0.00 N ATOM 958 CA ASN A 85 8.024 11.918 7.142 1.00 0.00 C ATOM 959 C ASN A 85 8.361 12.282 5.689 1.00 0.00 C ATOM 960 O ASN A 85 9.496 12.610 5.349 1.00 0.00 O ATOM 961 CB ASN A 85 9.302 11.662 7.964 1.00 0.00 C ATOM 962 CG ASN A 85 10.149 12.909 8.185 1.00 0.00 C ATOM 963 OD1 ASN A 85 11.061 13.206 7.413 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.862 13.644 9.245 1.00 0.00 N ATOM 0 H ASN A 85 6.232 10.919 7.592 1.00 0.00 H new ATOM 0 HA ASN A 85 7.500 12.764 7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.023 11.247 8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.905 10.909 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.403 14.486 9.444 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.100 13.370 9.865 1.00 0.00 H new ATOM 971 N CYS A 86 7.357 12.220 4.830 1.00 0.00 N ATOM 972 CA CYS A 86 7.542 12.510 3.418 1.00 0.00 C ATOM 973 C CYS A 86 6.574 13.596 2.971 1.00 0.00 C ATOM 974 O CYS A 86 5.650 13.953 3.702 1.00 0.00 O ATOM 975 CB CYS A 86 7.332 11.239 2.589 1.00 0.00 C ATOM 976 SG CYS A 86 8.412 9.854 3.075 1.00 0.00 S ATOM 0 H CYS A 86 6.402 11.970 5.087 1.00 0.00 H new ATOM 0 HA CYS A 86 8.560 12.867 3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.292 10.925 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.504 11.470 1.538 1.00 0.00 H new ATOM 981 N GLY A 87 6.797 14.123 1.776 1.00 0.00 N ATOM 982 CA GLY A 87 5.910 15.132 1.235 1.00 0.00 C ATOM 983 C GLY A 87 4.608 14.533 0.743 1.00 0.00 C ATOM 984 O GLY A 87 4.419 13.318 0.807 1.00 0.00 O ATOM 0 H GLY A 87 7.578 13.869 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.700 15.879 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.406 15.649 0.413 1.00 0.00 H new ATOM 988 N ASP A 88 3.730 15.383 0.225 1.00 0.00 N ATOM 989 CA ASP A 88 2.394 14.970 -0.210 1.00 0.00 C ATOM 990 C ASP A 88 2.457 13.928 -1.329 1.00 0.00 C ATOM 991 O ASP A 88 3.455 13.824 -2.039 1.00 0.00 O ATOM 992 CB ASP A 88 1.591 16.195 -0.663 1.00 0.00 C ATOM 993 CG ASP A 88 2.297 17.020 -1.718 1.00 0.00 C ATOM 994 OD1 ASP A 88 3.218 17.789 -1.365 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.907 16.935 -2.901 1.00 0.00 O ATOM 0 H ASP A 88 3.920 16.377 0.093 1.00 0.00 H new ATOM 0 HA ASP A 88 1.894 14.504 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.629 15.865 -1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.384 16.825 0.202 1.00 0.00 H new ATOM 1000 N PRO A 89 1.390 13.120 -1.476 1.00 0.00 N ATOM 1001 CA PRO A 89 1.337 12.045 -2.464 1.00 0.00 C ATOM 1002 C PRO A 89 0.960 12.527 -3.866 1.00 0.00 C ATOM 1003 O PRO A 89 -0.115 13.093 -4.085 1.00 0.00 O ATOM 1004 CB PRO A 89 0.259 11.119 -1.906 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.662 12.006 -1.139 1.00 0.00 C ATOM 1006 CD PRO A 89 0.154 13.187 -0.673 1.00 0.00 C ATOM 0 HA PRO A 89 2.310 11.573 -2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.269 10.602 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.693 10.352 -1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.493 12.333 -1.764 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.092 11.475 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.376 14.125 -0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.369 13.125 0.394 1.00 0.00 H new ATOM 1014 N LEU A 90 1.860 12.285 -4.809 1.00 0.00 N ATOM 1015 CA LEU A 90 1.639 12.625 -6.209 1.00 0.00 C ATOM 1016 C LEU A 90 0.687 11.632 -6.864 1.00 0.00 C ATOM 1017 O LEU A 90 -0.329 12.014 -7.442 1.00 0.00 O ATOM 1018 CB LEU A 90 2.974 12.624 -6.967 1.00 0.00 C ATOM 1019 CG LEU A 90 3.929 13.771 -6.631 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.320 13.492 -7.179 1.00 0.00 C ATOM 1021 CD2 LEU A 90 3.406 15.082 -7.194 1.00 0.00 C ATOM 0 H LEU A 90 2.763 11.848 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 90 1.194 13.619 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.483 11.681 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.764 12.652 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 90 3.990 13.851 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.983 14.320 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.707 12.572 -6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.269 13.383 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.098 15.887 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.316 15.003 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.428 15.298 -6.764 1.00 0.00 H new ATOM 1033 N SER A 91 1.018 10.352 -6.763 1.00 0.00 N ATOM 1034 CA SER A 91 0.254 9.314 -7.437 1.00 0.00 C ATOM 1035 C SER A 91 0.167 8.061 -6.571 1.00 0.00 C ATOM 1036 O SER A 91 0.977 7.862 -5.660 1.00 0.00 O ATOM 1037 CB SER A 91 0.901 8.970 -8.784 1.00 0.00 C ATOM 1038 OG SER A 91 1.123 10.133 -9.565 1.00 0.00 O ATOM 0 H SER A 91 1.811 10.009 -6.221 1.00 0.00 H new ATOM 0 HA SER A 91 -0.754 9.690 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.848 8.458 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.259 8.280 -9.331 1.00 0.00 H new ATOM 0 HG SER A 91 1.538 9.881 -10.416 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.817 7.224 -6.868 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.021 5.972 -6.154 1.00 0.00 C ATOM 1046 C LEU A 92 -1.522 4.915 -7.129 1.00 0.00 C ATOM 1047 O LEU A 92 -2.500 5.140 -7.843 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.037 6.166 -5.022 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.397 4.901 -4.229 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.224 4.431 -3.385 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.619 5.148 -3.351 1.00 0.00 C ATOM 0 H LEU A 92 -1.496 7.394 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.076 5.647 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.643 6.908 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.952 6.580 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.635 4.114 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.508 3.534 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.377 4.206 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.945 5.215 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.858 4.240 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.406 5.955 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.467 5.425 -3.977 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.849 3.775 -7.170 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.243 2.719 -8.088 1.00 0.00 C ATOM 1065 C GLY A 93 -0.196 1.629 -8.193 1.00 0.00 C ATOM 1066 O GLY A 93 0.498 1.353 -7.221 1.00 0.00 O ATOM 0 H GLY A 93 -0.040 3.560 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.185 2.284 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.420 3.146 -9.075 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.060 0.984 -9.362 1.00 0.00 N ATOM 1071 CA PRO A 94 0.931 -0.075 -9.560 1.00 0.00 C ATOM 1072 C PRO A 94 2.347 0.484 -9.704 1.00 0.00 C ATOM 1073 O PRO A 94 2.613 1.320 -10.568 1.00 0.00 O ATOM 1074 CB PRO A 94 0.479 -0.743 -10.859 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.236 0.327 -11.612 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.857 1.235 -10.580 1.00 0.00 C ATOM 0 HA PRO A 94 0.980 -0.759 -8.712 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.330 -1.123 -11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.176 -1.591 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.454 0.879 -12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.999 -0.100 -12.262 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.804 2.280 -10.884 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.910 1.001 -10.424 1.00 0.00 H new ATOM 1084 N PHE A 95 3.253 0.031 -8.847 1.00 0.00 N ATOM 1085 CA PHE A 95 4.630 0.505 -8.883 1.00 0.00 C ATOM 1086 C PHE A 95 5.541 -0.557 -9.491 1.00 0.00 C ATOM 1087 O PHE A 95 6.264 -0.293 -10.454 1.00 0.00 O ATOM 1088 CB PHE A 95 5.103 0.877 -7.472 1.00 0.00 C ATOM 1089 CG PHE A 95 6.393 1.652 -7.443 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.404 3.011 -7.713 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.590 1.024 -7.146 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.586 3.728 -7.688 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.775 1.734 -7.120 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.773 3.088 -7.392 1.00 0.00 C ATOM 0 H PHE A 95 3.061 -0.660 -8.122 1.00 0.00 H new ATOM 0 HA PHE A 95 4.676 1.397 -9.508 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.327 1.465 -6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.226 -0.036 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.478 3.516 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.598 -0.035 -6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.581 4.787 -7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.702 1.231 -6.887 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.698 3.645 -7.373 1.00 0.00 H new ATOM 1104 N LEU A 96 5.485 -1.759 -8.936 1.00 0.00 N ATOM 1105 CA LEU A 96 6.306 -2.871 -9.410 1.00 0.00 C ATOM 1106 C LEU A 96 5.491 -4.159 -9.409 1.00 0.00 C ATOM 1107 O LEU A 96 4.355 -4.183 -8.936 1.00 0.00 O ATOM 1108 CB LEU A 96 7.542 -3.057 -8.515 1.00 0.00 C ATOM 1109 CG LEU A 96 8.572 -1.920 -8.532 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.648 -2.158 -7.481 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.210 -1.778 -9.911 1.00 0.00 C ATOM 0 H LEU A 96 4.876 -1.993 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 96 6.633 -2.642 -10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.203 -3.196 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.044 -3.978 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 96 8.049 -0.992 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.370 -1.342 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.188 -2.204 -6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.157 -3.099 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.936 -0.965 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.713 -2.708 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.438 -1.560 -10.648 1.00 0.00 H new ATOM 1123 N LYS A 97 6.069 -5.222 -9.944 1.00 0.00 N ATOM 1124 CA LYS A 97 5.456 -6.540 -9.880 1.00 0.00 C ATOM 1125 C LYS A 97 6.445 -7.549 -9.302 1.00 0.00 C ATOM 1126 O LYS A 97 7.185 -8.220 -10.023 1.00 0.00 O ATOM 1127 CB LYS A 97 4.935 -6.985 -11.259 1.00 0.00 C ATOM 1128 CG LYS A 97 5.957 -6.896 -12.387 1.00 0.00 C ATOM 1129 CD LYS A 97 5.345 -7.273 -13.727 1.00 0.00 C ATOM 1130 CE LYS A 97 4.870 -8.718 -13.749 1.00 0.00 C ATOM 1131 NZ LYS A 97 4.238 -9.064 -15.050 1.00 0.00 N ATOM 0 H LYS A 97 6.966 -5.198 -10.430 1.00 0.00 H new ATOM 0 HA LYS A 97 4.592 -6.488 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.585 -8.015 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.072 -6.373 -11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.354 -5.882 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.797 -7.556 -12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.505 -6.612 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.080 -7.121 -14.517 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.714 -9.382 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.156 -8.880 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.926 -10.056 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.418 -8.446 -15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.928 -8.933 -15.817 1.00 0.00 H new ATOM 1144 N THR A 98 6.452 -7.635 -7.978 1.00 0.00 N ATOM 1145 CA THR A 98 7.382 -8.496 -7.261 1.00 0.00 C ATOM 1146 C THR A 98 7.049 -9.971 -7.477 1.00 0.00 C ATOM 1147 O THR A 98 7.901 -10.851 -7.336 1.00 0.00 O ATOM 1148 CB THR A 98 7.351 -8.169 -5.761 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.133 -6.762 -5.599 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.654 -8.567 -5.079 1.00 0.00 C ATOM 0 H THR A 98 5.817 -7.113 -7.374 1.00 0.00 H new ATOM 0 HA THR A 98 8.382 -8.312 -7.652 1.00 0.00 H new ATOM 0 HB THR A 98 6.544 -8.736 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.909 -6.360 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.599 -8.322 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.813 -9.639 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.483 -8.025 -5.534 1.00 0.00 H new ATOM 1158 N TYR A 99 5.781 -10.206 -7.823 1.00 0.00 N ATOM 1159 CA TYR A 99 5.294 -11.514 -8.265 1.00 0.00 C ATOM 1160 C TYR A 99 5.544 -12.596 -7.220 1.00 0.00 C ATOM 1161 O TYR A 99 5.817 -13.744 -7.562 1.00 0.00 O ATOM 1162 CB TYR A 99 5.972 -11.896 -9.584 1.00 0.00 C ATOM 1163 CG TYR A 99 5.051 -12.581 -10.572 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.257 -11.834 -11.430 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.979 -13.968 -10.656 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.418 -12.444 -12.339 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.143 -14.585 -11.566 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.364 -13.818 -12.404 1.00 0.00 C ATOM 1169 OH TYR A 99 2.538 -14.426 -13.319 1.00 0.00 O ATOM 0 H TYR A 99 5.058 -9.487 -7.804 1.00 0.00 H new ATOM 0 HA TYR A 99 4.216 -11.439 -8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.379 -10.996 -10.046 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.814 -12.554 -9.371 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.297 -10.756 -11.385 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.587 -14.572 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.806 -11.846 -12.997 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.100 -15.663 -11.620 1.00 0.00 H new ATOM 0 HH TYR A 99 2.017 -15.127 -12.874 1.00 0.00 H new ATOM 1179 N THR A 100 5.444 -12.233 -5.950 1.00 0.00 N ATOM 1180 CA THR A 100 5.709 -13.170 -4.870 1.00 0.00 C ATOM 1181 C THR A 100 4.420 -13.515 -4.123 1.00 0.00 C ATOM 1182 O THR A 100 3.992 -12.771 -3.235 1.00 0.00 O ATOM 1183 CB THR A 100 6.740 -12.590 -3.881 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.844 -12.032 -4.605 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.249 -13.664 -2.928 1.00 0.00 C ATOM 0 H THR A 100 5.181 -11.297 -5.643 1.00 0.00 H new ATOM 0 HA THR A 100 6.117 -14.079 -5.313 1.00 0.00 H new ATOM 0 HB THR A 100 6.250 -11.812 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.496 -11.663 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.975 -13.227 -2.242 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.413 -14.073 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.724 -14.462 -3.499 1.00 0.00 H new ATOM 1193 N PRO A 101 3.784 -14.647 -4.482 1.00 0.00 N ATOM 1194 CA PRO A 101 2.522 -15.093 -3.878 1.00 0.00 C ATOM 1195 C PRO A 101 2.699 -15.570 -2.438 1.00 0.00 C ATOM 1196 O PRO A 101 2.567 -16.759 -2.139 1.00 0.00 O ATOM 1197 CB PRO A 101 2.072 -16.257 -4.775 1.00 0.00 C ATOM 1198 CG PRO A 101 2.955 -16.201 -5.976 1.00 0.00 C ATOM 1199 CD PRO A 101 4.239 -15.587 -5.513 1.00 0.00 C ATOM 0 HA PRO A 101 1.798 -14.280 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.172 -17.212 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.023 -16.154 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.123 -17.198 -6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.500 -15.605 -6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.924 -16.333 -5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.762 -15.079 -6.323 1.00 0.00 H new ATOM 1207 N GLN A 102 3.016 -14.630 -1.561 1.00 0.00 N ATOM 1208 CA GLN A 102 3.165 -14.894 -0.139 1.00 0.00 C ATOM 1209 C GLN A 102 3.388 -13.585 0.601 1.00 0.00 C ATOM 1210 O GLN A 102 2.711 -13.288 1.588 1.00 0.00 O ATOM 1211 CB GLN A 102 4.333 -15.849 0.133 1.00 0.00 C ATOM 1212 CG GLN A 102 4.481 -16.219 1.598 1.00 0.00 C ATOM 1213 CD GLN A 102 5.557 -17.257 1.837 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.551 -17.323 1.117 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.359 -18.081 2.853 1.00 0.00 N ATOM 0 H GLN A 102 3.178 -13.656 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 102 2.251 -15.370 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.193 -16.758 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.258 -15.388 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.714 -15.322 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.529 -16.597 1.970 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.520 -17.992 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.046 -18.805 3.063 1.00 0.00 H new ATOM 1224 N SER A 103 4.337 -12.803 0.108 1.00 0.00 N ATOM 1225 CA SER A 103 4.659 -11.517 0.703 1.00 0.00 C ATOM 1226 C SER A 103 3.535 -10.514 0.458 1.00 0.00 C ATOM 1227 O SER A 103 3.212 -9.702 1.330 1.00 0.00 O ATOM 1228 CB SER A 103 5.974 -10.997 0.118 1.00 0.00 C ATOM 1229 OG SER A 103 6.946 -12.028 0.080 1.00 0.00 O ATOM 0 H SER A 103 4.900 -13.040 -0.709 1.00 0.00 H new ATOM 0 HA SER A 103 4.771 -11.644 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.804 -10.613 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.342 -10.165 0.719 1.00 0.00 H new ATOM 0 HG SER A 103 7.779 -11.678 -0.298 1.00 0.00 H new ATOM 1235 N SER A 104 2.929 -10.590 -0.720 1.00 0.00 N ATOM 1236 CA SER A 104 1.870 -9.668 -1.095 1.00 0.00 C ATOM 1237 C SER A 104 0.510 -10.155 -0.590 1.00 0.00 C ATOM 1238 O SER A 104 0.237 -11.356 -0.562 1.00 0.00 O ATOM 1239 CB SER A 104 1.856 -9.491 -2.615 1.00 0.00 C ATOM 1240 OG SER A 104 1.867 -10.745 -3.274 1.00 0.00 O ATOM 0 H SER A 104 3.155 -11.284 -1.433 1.00 0.00 H new ATOM 0 HA SER A 104 2.065 -8.703 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.970 -8.929 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.722 -8.906 -2.924 1.00 0.00 H new ATOM 0 HG SER A 104 1.856 -10.605 -4.244 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.329 -9.213 -0.185 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.643 -9.522 0.366 1.00 0.00 C ATOM 1248 C ILE A 105 -2.736 -8.741 -0.353 1.00 0.00 C ATOM 1249 O ILE A 105 -2.474 -7.703 -0.966 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.721 -9.182 1.872 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.310 -7.720 2.097 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.854 -10.136 2.687 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.455 -7.236 3.523 1.00 0.00 C ATOM 0 H ILE A 105 -0.120 -8.215 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.794 -10.592 0.225 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.749 -9.306 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.271 -7.597 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.912 -7.083 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.924 -9.878 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.200 -11.159 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.183 -10.054 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.142 -6.194 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.497 -7.322 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.831 -7.843 4.179 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.956 -9.244 -0.274 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.113 -8.531 -0.790 1.00 0.00 C ATOM 1267 C ILE A 106 -6.028 -8.155 0.369 1.00 0.00 C ATOM 1268 O ILE A 106 -6.478 -9.020 1.120 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.889 -9.364 -1.840 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.074 -9.478 -3.129 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.251 -8.746 -2.130 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.736 -10.323 -4.201 1.00 0.00 C ATOM 0 H ILE A 106 -4.172 -10.149 0.145 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.761 -7.631 -1.294 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.050 -10.362 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.898 -8.478 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.099 -9.905 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.775 -9.351 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.837 -8.709 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.117 -7.735 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.098 -10.356 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.888 -11.335 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.699 -9.886 -4.466 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.271 -6.865 0.529 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.063 -6.372 1.649 1.00 0.00 C ATOM 1286 C CYS A 107 -8.508 -6.115 1.232 1.00 0.00 C ATOM 1287 O CYS A 107 -8.787 -5.828 0.066 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.431 -5.099 2.217 1.00 0.00 C ATOM 1289 SG CYS A 107 -4.740 -5.347 2.847 1.00 0.00 S ATOM 0 H CYS A 107 -5.932 -6.138 -0.101 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.074 -7.138 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.413 -4.334 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.059 -4.720 3.023 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.424 -6.236 2.186 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.840 -6.032 1.919 1.00 0.00 C ATOM 1296 C TYR A 108 -11.420 -5.005 2.882 1.00 0.00 C ATOM 1297 O TYR A 108 -10.846 -4.741 3.941 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.603 -7.355 2.033 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.165 -8.398 1.027 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.472 -8.254 -0.321 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.447 -9.523 1.421 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.080 -9.201 -1.247 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.052 -10.473 0.500 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.370 -10.306 -0.831 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.979 -11.248 -1.753 1.00 0.00 O ATOM 0 H TYR A 108 -9.209 -6.475 3.154 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.947 -5.655 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.471 -7.755 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.668 -7.162 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.026 -7.387 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.195 -9.655 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.329 -9.076 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.497 -11.342 0.821 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.487 -11.964 -1.300 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.553 -4.431 2.512 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.182 -3.424 3.336 1.00 0.00 C ATOM 1317 C GLY A 109 -13.365 -2.119 2.589 1.00 0.00 C ATOM 1318 O GLY A 109 -13.903 -2.101 1.481 1.00 0.00 O ATOM 0 H GLY A 109 -13.051 -4.647 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.152 -3.787 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.576 -3.252 4.225 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.924 -1.028 3.196 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.020 0.290 2.582 1.00 0.00 C ATOM 1324 C GLN A 110 -11.653 0.714 2.063 1.00 0.00 C ATOM 1325 O GLN A 110 -10.631 0.291 2.603 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.527 1.330 3.593 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.868 0.994 4.235 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.763 -0.093 5.290 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -13.735 -0.243 5.946 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.831 -0.854 5.466 1.00 0.00 N ATOM 0 H GLN A 110 -12.493 -1.029 4.120 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.729 0.233 1.756 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.782 1.445 4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.611 2.294 3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.284 1.894 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.566 0.675 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.666 -0.699 4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.819 -1.596 6.166 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.641 1.546 1.024 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.399 2.025 0.423 1.00 0.00 C ATOM 1341 C LEU A 111 -9.519 2.709 1.465 1.00 0.00 C ATOM 1342 O LEU A 111 -9.793 3.833 1.884 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.714 2.998 -0.722 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.499 3.648 -1.393 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.709 2.631 -2.200 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.935 4.807 -2.275 1.00 0.00 C ATOM 0 H LEU A 111 -12.485 1.905 0.578 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.855 1.168 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.284 2.464 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.359 3.788 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.847 4.033 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.853 3.121 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.359 1.836 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.348 2.205 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.060 5.257 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.613 4.442 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.446 5.554 -1.668 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.475 2.017 1.893 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.576 2.573 2.881 1.00 0.00 C ATOM 1360 C GLY A 112 -7.639 1.844 4.208 1.00 0.00 C ATOM 1361 O GLY A 112 -6.865 2.137 5.119 1.00 0.00 O ATOM 0 H GLY A 112 -8.234 1.079 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.556 2.536 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.820 3.624 3.037 1.00 0.00 H new ATOM 1365 N SER A 113 -8.564 0.902 4.327 1.00 0.00 N ATOM 1366 CA SER A 113 -8.679 0.112 5.538 1.00 0.00 C ATOM 1367 C SER A 113 -8.042 -1.257 5.338 1.00 0.00 C ATOM 1368 O SER A 113 -8.462 -2.036 4.482 1.00 0.00 O ATOM 1369 CB SER A 113 -10.147 -0.040 5.942 1.00 0.00 C ATOM 1370 OG SER A 113 -10.261 -0.534 7.267 1.00 0.00 O ATOM 0 H SER A 113 -9.242 0.669 3.601 1.00 0.00 H new ATOM 0 HA SER A 113 -8.152 0.630 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.651 0.923 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.649 -0.719 5.253 1.00 0.00 H new ATOM 0 HG SER A 113 -10.048 0.181 7.902 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.025 -1.540 6.132 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.313 -2.808 6.063 1.00 0.00 C ATOM 1378 C PHE A 114 -6.704 -3.672 7.251 1.00 0.00 C ATOM 1379 O PHE A 114 -5.929 -4.508 7.713 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.800 -2.568 6.074 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.314 -1.696 4.947 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.296 -0.314 5.078 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.874 -2.255 3.758 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.849 0.488 4.049 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.426 -1.456 2.726 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.415 -0.084 2.871 1.00 0.00 C ATOM 0 H PHE A 114 -6.668 -0.900 6.842 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.580 -3.317 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.521 -2.108 7.022 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.289 -3.529 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.636 0.139 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.882 -3.328 3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.839 1.562 4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.084 -1.905 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.067 0.542 2.063 1.00 0.00 H new ATOM 1396 N SER A 115 -7.923 -3.454 7.739 1.00 0.00 N ATOM 1397 CA SER A 115 -8.414 -4.113 8.944 1.00 0.00 C ATOM 1398 C SER A 115 -8.376 -5.633 8.818 1.00 0.00 C ATOM 1399 O SER A 115 -8.151 -6.340 9.801 1.00 0.00 O ATOM 1400 CB SER A 115 -9.834 -3.640 9.241 1.00 0.00 C ATOM 1401 OG SER A 115 -9.874 -2.227 9.344 1.00 0.00 O ATOM 0 H SER A 115 -8.595 -2.817 7.311 1.00 0.00 H new ATOM 0 HA SER A 115 -7.756 -3.842 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.507 -3.972 8.451 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.187 -4.089 10.170 1.00 0.00 H new ATOM 0 HG SER A 115 -10.119 -1.843 8.476 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.592 -6.126 7.610 1.00 0.00 N ATOM 1408 CA ASN A 116 -8.514 -7.553 7.353 1.00 0.00 C ATOM 1409 C ASN A 116 -8.000 -7.799 5.945 1.00 0.00 C ATOM 1410 O ASN A 116 -8.650 -7.444 4.960 1.00 0.00 O ATOM 1411 CB ASN A 116 -9.874 -8.223 7.550 1.00 0.00 C ATOM 1412 CG ASN A 116 -9.809 -9.727 7.352 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.012 -10.229 6.249 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -9.521 -10.455 8.420 1.00 0.00 N ATOM 0 H ASN A 116 -8.822 -5.560 6.793 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.818 -7.993 8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.241 -8.006 8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.591 -7.797 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -9.461 -11.470 8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -9.359 -10.000 9.319 1.00 0.00 H new ATOM 1421 N CYS A 117 -6.820 -8.386 5.864 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.203 -8.692 4.588 1.00 0.00 C ATOM 1423 C CYS A 117 -5.972 -10.189 4.477 1.00 0.00 C ATOM 1424 O CYS A 117 -5.795 -10.871 5.489 1.00 0.00 O ATOM 1425 CB CYS A 117 -4.881 -7.933 4.446 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.026 -6.132 4.697 1.00 0.00 S ATOM 0 H CYS A 117 -6.266 -8.662 6.675 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.868 -8.378 3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.166 -8.333 5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.472 -8.119 3.453 1.00 0.00 H new ATOM 1431 N SER A 118 -5.986 -10.700 3.260 1.00 0.00 N ATOM 1432 CA SER A 118 -5.858 -12.125 3.031 1.00 0.00 C ATOM 1433 C SER A 118 -4.584 -12.455 2.262 1.00 0.00 C ATOM 1434 O SER A 118 -4.150 -11.693 1.390 1.00 0.00 O ATOM 1435 CB SER A 118 -7.087 -12.629 2.279 1.00 0.00 C ATOM 1436 OG SER A 118 -8.264 -12.360 3.023 1.00 0.00 O ATOM 0 H SER A 118 -6.085 -10.144 2.410 1.00 0.00 H new ATOM 0 HA SER A 118 -5.792 -12.627 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.147 -12.147 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.998 -13.701 2.101 1.00 0.00 H new ATOM 0 HG SER A 118 -9.045 -12.687 2.529 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.984 -13.586 2.621 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.796 -14.096 1.950 1.00 0.00 C ATOM 1444 C HIS A 119 -3.113 -14.382 0.490 1.00 0.00 C ATOM 1445 O HIS A 119 -3.977 -15.202 0.185 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.312 -15.374 2.651 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.059 -15.968 2.077 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.839 -16.638 0.919 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.156 -15.932 2.725 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.486 -16.988 0.896 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 1.062 -16.549 1.997 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.310 -14.175 3.387 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.005 -13.348 1.998 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.143 -15.152 3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.105 -16.120 2.605 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.531 -16.843 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.337 -15.468 3.683 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.978 -17.534 0.105 1.00 0.00 H new ATOM 1459 N SER A 120 -2.407 -13.714 -0.404 1.00 0.00 N ATOM 1460 CA SER A 120 -2.675 -13.849 -1.821 1.00 0.00 C ATOM 1461 C SER A 120 -1.720 -14.850 -2.461 1.00 0.00 C ATOM 1462 O SER A 120 -0.522 -14.594 -2.582 1.00 0.00 O ATOM 1463 CB SER A 120 -2.559 -12.490 -2.513 1.00 0.00 C ATOM 1464 OG SER A 120 -2.967 -12.570 -3.871 1.00 0.00 O ATOM 0 H SER A 120 -1.646 -13.075 -0.173 1.00 0.00 H new ATOM 0 HA SER A 120 -3.692 -14.222 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.173 -11.758 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.529 -12.138 -2.460 1.00 0.00 H new ATOM 0 HG SER A 120 -2.885 -11.688 -4.290 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.254 -15.997 -2.849 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.488 -16.981 -3.593 1.00 0.00 C ATOM 1472 C ARG A 121 -1.583 -16.680 -5.088 1.00 0.00 C ATOM 1473 O ARG A 121 -0.910 -17.303 -5.912 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.010 -18.389 -3.296 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.124 -19.499 -3.835 1.00 0.00 C ATOM 1476 CD ARG A 121 0.246 -19.496 -3.172 1.00 0.00 C ATOM 1477 NE ARG A 121 0.163 -19.765 -1.736 1.00 0.00 N ATOM 1478 CZ ARG A 121 1.209 -19.759 -0.919 1.00 0.00 C ATOM 1479 NH1 ARG A 121 2.410 -19.430 -1.376 1.00 0.00 N ATOM 1480 NH2 ARG A 121 1.061 -20.061 0.362 1.00 0.00 N ATOM 0 H ARG A 121 -3.219 -16.269 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.443 -16.930 -3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.110 -18.509 -2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.008 -18.494 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.606 -20.462 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.007 -19.381 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.879 -20.247 -3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.724 -18.530 -3.332 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.754 -19.969 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.531 -19.181 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.212 -19.426 -0.746 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.139 -20.300 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.869 -20.054 0.984 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.425 -15.706 -5.423 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.610 -15.281 -6.806 1.00 0.00 C ATOM 1495 C ASN A 122 -1.317 -14.703 -7.364 1.00 0.00 C ATOM 1496 O ASN A 122 -0.732 -13.793 -6.776 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.722 -14.230 -6.922 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.063 -14.720 -6.411 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.823 -15.357 -7.142 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.378 -14.392 -5.167 1.00 0.00 N ATOM 0 H ASN A 122 -2.994 -15.193 -4.749 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.896 -16.161 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.431 -13.340 -6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.825 -13.933 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.280 -14.668 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.718 -13.863 -4.596 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.871 -15.242 -8.491 1.00 0.00 N ATOM 1508 CA ASP A 123 0.342 -14.756 -9.141 1.00 0.00 C ATOM 1509 C ASP A 123 0.062 -13.455 -9.885 1.00 0.00 C ATOM 1510 O ASP A 123 0.972 -12.669 -10.155 1.00 0.00 O ATOM 1511 CB ASP A 123 0.905 -15.808 -10.106 1.00 0.00 C ATOM 1512 CG ASP A 123 0.018 -16.030 -11.316 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.121 -16.519 -11.147 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.453 -15.715 -12.443 1.00 0.00 O ATOM 0 H ASP A 123 -1.329 -16.015 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 123 1.087 -14.566 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.895 -15.496 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.030 -16.752 -9.575 1.00 0.00 H new ATOM 1519 N MET A 124 -1.205 -13.234 -10.218 1.00 0.00 N ATOM 1520 CA MET A 124 -1.628 -11.986 -10.834 1.00 0.00 C ATOM 1521 C MET A 124 -1.718 -10.897 -9.770 1.00 0.00 C ATOM 1522 O MET A 124 -2.789 -10.613 -9.235 1.00 0.00 O ATOM 1523 CB MET A 124 -2.982 -12.154 -11.534 1.00 0.00 C ATOM 1524 CG MET A 124 -3.476 -10.888 -12.220 1.00 0.00 C ATOM 1525 SD MET A 124 -5.125 -11.077 -12.921 1.00 0.00 S ATOM 1526 CE MET A 124 -5.406 -9.431 -13.571 1.00 0.00 C ATOM 0 H MET A 124 -1.958 -13.906 -10.070 1.00 0.00 H new ATOM 0 HA MET A 124 -0.892 -11.699 -11.585 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.902 -12.950 -12.274 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.723 -12.473 -10.801 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.483 -10.069 -11.501 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.779 -10.612 -13.011 1.00 0.00 H new ATOM 0 HE1 MET A 124 -6.390 -9.387 -14.039 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.358 -8.706 -12.759 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.641 -9.197 -14.312 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.580 -10.311 -9.443 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.526 -9.284 -8.423 1.00 0.00 C ATOM 1538 C CYS A 125 0.445 -8.185 -8.818 1.00 0.00 C ATOM 1539 O CYS A 125 1.540 -8.451 -9.317 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.116 -9.894 -7.082 1.00 0.00 C ATOM 1541 SG CYS A 125 0.078 -8.681 -5.735 1.00 0.00 S ATOM 0 H CYS A 125 0.319 -10.531 -9.871 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.519 -8.845 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.864 -10.630 -6.787 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.825 -10.429 -7.212 1.00 0.00 H new ATOM 1546 N HIS A 126 0.022 -6.946 -8.621 1.00 0.00 N ATOM 1547 CA HIS A 126 0.877 -5.798 -8.862 1.00 0.00 C ATOM 1548 C HIS A 126 1.079 -5.054 -7.551 1.00 0.00 C ATOM 1549 O HIS A 126 0.106 -4.699 -6.881 1.00 0.00 O ATOM 1550 CB HIS A 126 0.267 -4.865 -9.920 1.00 0.00 C ATOM 1551 CG HIS A 126 0.126 -5.488 -11.278 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.068 -5.350 -12.279 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -0.859 -6.258 -11.800 1.00 0.00 C ATOM 1554 CE1 HIS A 126 0.669 -6.005 -13.353 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.496 -6.566 -13.089 1.00 0.00 N ATOM 0 H HIS A 126 -0.915 -6.711 -8.293 1.00 0.00 H new ATOM 0 HA HIS A 126 1.838 -6.142 -9.245 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.715 -4.539 -9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.888 -3.973 -10.004 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.762 -6.571 -11.297 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.205 -6.071 -14.289 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.039 -7.136 -13.737 1.00 0.00 H new ATOM 1563 N SER A 127 2.328 -4.841 -7.178 1.00 0.00 N ATOM 1564 CA SER A 127 2.652 -4.206 -5.911 1.00 0.00 C ATOM 1565 C SER A 127 2.173 -2.756 -5.897 1.00 0.00 C ATOM 1566 O SER A 127 2.469 -1.983 -6.817 1.00 0.00 O ATOM 1567 CB SER A 127 4.162 -4.267 -5.677 1.00 0.00 C ATOM 1568 OG SER A 127 4.657 -5.573 -5.933 1.00 0.00 O ATOM 0 H SER A 127 3.140 -5.100 -7.738 1.00 0.00 H new ATOM 0 HA SER A 127 2.142 -4.740 -5.109 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.665 -3.549 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.388 -3.982 -4.649 1.00 0.00 H new ATOM 0 HG SER A 127 5.608 -5.614 -5.699 1.00 0.00 H new ATOM 1574 N LEU A 128 1.419 -2.399 -4.864 1.00 0.00 N ATOM 1575 CA LEU A 128 0.908 -1.045 -4.730 1.00 0.00 C ATOM 1576 C LEU A 128 2.046 -0.091 -4.392 1.00 0.00 C ATOM 1577 O LEU A 128 2.824 -0.337 -3.465 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.177 -0.978 -3.649 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.834 0.394 -3.455 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.651 0.787 -4.680 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.707 0.397 -2.209 1.00 0.00 C ATOM 0 H LEU A 128 1.149 -3.029 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 128 0.463 -0.748 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.954 -1.702 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.261 -1.289 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.042 1.132 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.106 1.764 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.999 0.832 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.433 0.046 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.165 1.379 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.487 -0.357 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.095 0.172 -1.336 1.00 0.00 H new ATOM 1593 N GLY A 129 2.147 0.980 -5.155 1.00 0.00 N ATOM 1594 CA GLY A 129 3.191 1.948 -4.940 1.00 0.00 C ATOM 1595 C GLY A 129 2.639 3.328 -4.685 1.00 0.00 C ATOM 1596 O GLY A 129 1.761 3.800 -5.413 1.00 0.00 O ATOM 0 H GLY A 129 1.517 1.197 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.802 1.640 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.845 1.975 -5.811 1.00 0.00 H new ATOM 1600 N LEU A 130 3.146 3.969 -3.648 1.00 0.00 N ATOM 1601 CA LEU A 130 2.741 5.319 -3.309 1.00 0.00 C ATOM 1602 C LEU A 130 3.890 6.272 -3.598 1.00 0.00 C ATOM 1603 O LEU A 130 5.017 6.044 -3.157 1.00 0.00 O ATOM 1604 CB LEU A 130 2.335 5.398 -1.834 1.00 0.00 C ATOM 1605 CG LEU A 130 1.853 6.770 -1.351 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.616 7.215 -2.121 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.563 6.726 0.140 1.00 0.00 C ATOM 0 H LEU A 130 3.845 3.571 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 130 1.879 5.602 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.543 4.671 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.187 5.097 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 130 2.644 7.497 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.294 8.191 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.853 7.281 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.185 6.491 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.221 7.706 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.789 5.985 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.471 6.456 0.679 1.00 0.00 H new ATOM 1619 N THR A 131 3.616 7.317 -4.359 1.00 0.00 N ATOM 1620 CA THR A 131 4.646 8.267 -4.738 1.00 0.00 C ATOM 1621 C THR A 131 4.498 9.574 -3.957 1.00 0.00 C ATOM 1622 O THR A 131 3.772 10.473 -4.373 1.00 0.00 O ATOM 1623 CB THR A 131 4.583 8.552 -6.252 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.575 7.313 -6.974 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.766 9.399 -6.704 1.00 0.00 C ATOM 0 H THR A 131 2.688 7.529 -4.727 1.00 0.00 H new ATOM 0 HA THR A 131 5.614 7.827 -4.498 1.00 0.00 H new ATOM 0 HB THR A 131 3.668 9.108 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.533 7.495 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.693 9.583 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.757 10.350 -6.171 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.695 8.871 -6.489 1.00 0.00 H new ATOM 1633 N CYS A 132 5.171 9.659 -2.817 1.00 0.00 N ATOM 1634 CA CYS A 132 5.181 10.883 -2.022 1.00 0.00 C ATOM 1635 C CYS A 132 6.306 11.791 -2.517 1.00 0.00 C ATOM 1636 O CYS A 132 7.236 11.323 -3.180 1.00 0.00 O ATOM 1637 CB CYS A 132 5.384 10.550 -0.534 1.00 0.00 C ATOM 1638 SG CYS A 132 4.312 9.213 0.100 1.00 0.00 S ATOM 0 H CYS A 132 5.718 8.895 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 132 4.225 11.395 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.425 10.268 -0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.206 11.450 0.054 1.00 0.00 H new ATOM 1643 N LEU A 133 6.210 13.083 -2.219 1.00 0.00 N ATOM 1644 CA LEU A 133 7.223 14.052 -2.644 1.00 0.00 C ATOM 1645 C LEU A 133 8.546 13.852 -1.909 1.00 0.00 C ATOM 1646 O LEU A 133 8.792 14.489 -0.881 1.00 0.00 O ATOM 1647 CB LEU A 133 6.745 15.491 -2.421 1.00 0.00 C ATOM 1648 CG LEU A 133 6.199 16.216 -3.652 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.813 15.718 -4.009 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.179 17.715 -3.418 1.00 0.00 C ATOM 0 H LEU A 133 5.441 13.487 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 133 7.382 13.882 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.968 15.480 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.577 16.071 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 133 6.861 16.001 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.450 16.251 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.854 14.650 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.136 15.894 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.788 18.216 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.543 17.941 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.192 18.066 -3.220 1.00 0.00 H new ATOM 1662 N GLU A 134 9.377 12.961 -2.435 1.00 0.00 N ATOM 1663 CA GLU A 134 10.732 12.748 -1.936 1.00 0.00 C ATOM 1664 C GLU A 134 11.411 11.667 -2.768 1.00 0.00 C ATOM 1665 O GLU A 134 11.254 10.472 -2.443 1.00 0.00 O ATOM 1666 CB GLU A 134 10.731 12.353 -0.455 1.00 0.00 C ATOM 1667 CG GLU A 134 12.122 12.245 0.151 1.00 0.00 C ATOM 1668 CD GLU A 134 12.846 13.574 0.207 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.428 13.986 -0.820 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.839 14.214 1.282 1.00 0.00 O ATOM 1671 OXT GLU A 134 12.086 12.020 -3.758 1.00 0.00 O ATOM 0 H GLU A 134 9.130 12.363 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 134 11.283 13.684 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 134 10.156 13.088 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.221 11.396 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.043 11.837 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.713 11.539 -0.433 1.00 0.00 H new TER 1678 GLU A 134