USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= 0.427 K(o=0.82,f=-0.95) USER MOD Set 1.2: A 103 THR OG1 : rot -169:sc= 0.398 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -0.493 F(o=-2.6,f=-1.9) USER MOD Set 2.2: A 88 TYR OH : rot -132:sc= 0.00315 USER MOD Set 2.3: A 115 GLN : amide:sc= -1.4 K(o=-1.9,f=-4!) USER MOD Single : A 1 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.79) USER MOD Single : A 1 GLN N :NH3+ -146:sc= -0.191 (180deg=-1.54!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.106 F(o=-0.72!,f=-0.11) USER MOD Single : A 14 THR OG1 : rot 125:sc= -2.32! USER MOD Single : A 15 GLN :FLIP amide:sc= -0.801! C(o=-10!,f=-0.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0307 K(o=-0.031,f=-0.9) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 36 TYR OH : rot 58:sc= 0.209 USER MOD Single : A 37 SER OG : rot 100:sc= -4.53! USER MOD Single : A 42 SER OG : rot -61:sc= 0.271 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00263 K(o=-0.0026,f=-1.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -109:sc= 0.0708 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 73 MET CE :methyl -176:sc= -0.494 (180deg=-0.554) USER MOD Single : A 75 HIS : no HD1:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -4.39! C(o=-6.1!,f=-4.4!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -114:sc=-0.00697 (180deg=-0.256) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0098 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 69:sc= -2.23 USER MOD Single : A 99 SER OG : rot 152:sc= 0.0642 USER MOD Single : A 100 SER OG : rot 180:sc= -1.46! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -42:sc= 0.733 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.606 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 22.703 -6.435 -17.325 1.00 0.00 N ATOM 2 CA GLN A 1 22.211 -7.791 -17.358 1.00 0.00 C ATOM 3 C GLN A 1 20.721 -7.783 -17.056 1.00 0.00 C ATOM 4 O GLN A 1 19.900 -7.913 -17.940 1.00 0.00 O ATOM 5 CB GLN A 1 23.005 -8.516 -16.310 1.00 0.00 C ATOM 6 CG GLN A 1 24.453 -8.616 -16.714 1.00 0.00 C ATOM 7 CD GLN A 1 25.307 -9.153 -15.629 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.488 -10.357 -15.483 1.00 0.00 O ATOM 9 NE2 GLN A 1 25.816 -8.225 -14.855 1.00 0.00 N ATOM 0 H1 GLN A 1 23.460 -6.323 -18.029 1.00 0.00 H new ATOM 0 H2 GLN A 1 21.927 -5.779 -17.544 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.077 -6.224 -16.378 1.00 0.00 H new ATOM 0 HA GLN A 1 22.327 -8.278 -18.326 1.00 0.00 H new ATOM 0 HB2 GLN A 1 22.923 -7.992 -15.358 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.594 -9.514 -16.161 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.539 -9.257 -17.591 1.00 0.00 H new ATOM 0 HG3 GLN A 1 24.815 -7.630 -17.003 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.619 -7.242 -15.041 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.409 -8.487 -14.067 1.00 0.00 H new ATOM 18 N CYS A 2 20.387 -7.628 -15.772 1.00 0.00 N ATOM 19 CA CYS A 2 19.011 -7.518 -15.319 1.00 0.00 C ATOM 20 C CYS A 2 18.471 -6.100 -15.560 1.00 0.00 C ATOM 21 O CYS A 2 17.265 -5.890 -15.665 1.00 0.00 O ATOM 22 CB CYS A 2 18.876 -7.902 -13.856 1.00 0.00 C ATOM 23 SG CYS A 2 19.616 -9.510 -13.468 1.00 0.00 S ATOM 0 H CYS A 2 21.073 -7.576 -15.019 1.00 0.00 H new ATOM 0 HA CYS A 2 18.414 -8.219 -15.902 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.347 -7.135 -13.241 1.00 0.00 H new ATOM 0 HB3 CYS A 2 17.820 -7.921 -13.588 1.00 0.00 H new ATOM 28 N ASN A 3 19.412 -5.121 -15.637 1.00 0.00 N ATOM 29 CA ASN A 3 19.087 -3.697 -15.806 1.00 0.00 C ATOM 30 C ASN A 3 18.231 -3.148 -14.701 1.00 0.00 C ATOM 31 O ASN A 3 17.386 -2.275 -14.939 1.00 0.00 O ATOM 32 CB ASN A 3 18.417 -3.488 -17.148 1.00 0.00 C ATOM 33 CG ASN A 3 19.383 -3.633 -18.293 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.647 -3.325 -18.047 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 18.997 -4.007 -19.398 1.00 0.00 N flip ATOM 0 H ASN A 3 20.413 -5.307 -15.583 1.00 0.00 H new ATOM 0 HA ASN A 3 20.026 -3.145 -15.764 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.607 -4.208 -17.264 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.967 -2.495 -17.177 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.014 -4.234 -19.545 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.660 -4.090 -20.169 1.00 0.00 H new ATOM 42 N ALA A 4 18.475 -3.646 -13.473 1.00 0.00 N ATOM 43 CA ALA A 4 17.753 -3.221 -12.285 1.00 0.00 C ATOM 44 C ALA A 4 16.299 -3.674 -12.336 1.00 0.00 C ATOM 45 O ALA A 4 15.546 -3.271 -13.226 1.00 0.00 O ATOM 46 CB ALA A 4 17.875 -1.730 -12.105 1.00 0.00 C ATOM 0 H ALA A 4 19.184 -4.356 -13.290 1.00 0.00 H new ATOM 0 HA ALA A 4 18.202 -3.698 -11.413 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.330 -1.426 -11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.926 -1.461 -11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.458 -1.223 -12.975 1.00 0.00 H new ATOM 52 N PRO A 5 15.896 -4.540 -11.406 1.00 0.00 N ATOM 53 CA PRO A 5 14.571 -5.198 -11.469 1.00 0.00 C ATOM 54 C PRO A 5 13.453 -4.189 -11.605 1.00 0.00 C ATOM 55 O PRO A 5 12.589 -4.305 -12.493 1.00 0.00 O ATOM 56 CB PRO A 5 14.420 -5.757 -10.055 1.00 0.00 C ATOM 57 CG PRO A 5 15.792 -5.799 -9.445 1.00 0.00 C ATOM 58 CD PRO A 5 16.725 -5.009 -10.305 1.00 0.00 C ATOM 0 HA PRO A 5 14.517 -5.903 -12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.755 -5.129 -9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.980 -6.754 -10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.769 -5.388 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.137 -6.830 -9.362 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.163 -4.176 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.551 -5.623 -10.664 1.00 0.00 H new ATOM 66 N GLU A 6 13.552 -3.154 -10.772 1.00 0.00 N ATOM 67 CA GLU A 6 12.668 -1.968 -10.718 1.00 0.00 C ATOM 68 C GLU A 6 12.474 -1.550 -9.252 1.00 0.00 C ATOM 69 O GLU A 6 12.843 -2.299 -8.335 1.00 0.00 O ATOM 70 CB GLU A 6 11.282 -2.142 -11.421 1.00 0.00 C ATOM 71 CG GLU A 6 10.310 -3.122 -10.750 1.00 0.00 C ATOM 72 CD GLU A 6 9.013 -3.248 -11.532 1.00 0.00 C ATOM 73 OE1 GLU A 6 9.073 -3.374 -12.771 1.00 0.00 O ATOM 74 OE2 GLU A 6 7.927 -3.227 -10.917 1.00 0.00 O ATOM 0 H GLU A 6 14.292 -3.109 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 6 13.174 -1.188 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.801 -1.166 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.454 -2.475 -12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.781 -4.101 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.093 -2.784 -9.737 1.00 0.00 H new ATOM 81 N TRP A 7 11.906 -0.379 -9.031 1.00 0.00 N ATOM 82 CA TRP A 7 11.627 0.063 -7.682 1.00 0.00 C ATOM 83 C TRP A 7 10.332 -0.529 -7.165 1.00 0.00 C ATOM 84 O TRP A 7 9.262 -0.358 -7.750 1.00 0.00 O ATOM 85 CB TRP A 7 11.613 1.610 -7.602 1.00 0.00 C ATOM 86 CG TRP A 7 11.269 2.132 -6.239 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.076 2.202 -5.153 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.020 2.730 -5.849 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.387 2.726 -4.086 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.127 3.081 -4.497 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.820 2.982 -6.532 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.076 3.681 -3.798 1.00 0.00 C ATOM 93 CZ3 TRP A 7 7.781 3.584 -5.843 1.00 0.00 C ATOM 94 CH2 TRP A 7 7.917 3.927 -4.480 1.00 0.00 C ATOM 0 H TRP A 7 11.632 0.277 -9.763 1.00 0.00 H new ATOM 0 HA TRP A 7 12.429 -0.298 -7.038 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.592 1.990 -7.892 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.894 1.997 -8.324 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.110 1.891 -5.129 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.753 2.834 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.710 2.712 -7.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.176 3.941 -2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.854 3.794 -6.355 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.089 4.393 -3.966 1.00 0.00 H new ATOM 105 N LEU A 8 10.435 -1.211 -6.046 1.00 0.00 N ATOM 106 CA LEU A 8 9.306 -1.820 -5.424 1.00 0.00 C ATOM 107 C LEU A 8 9.034 -1.164 -4.074 1.00 0.00 C ATOM 108 O LEU A 8 9.824 -1.281 -3.174 1.00 0.00 O ATOM 109 CB LEU A 8 9.559 -3.329 -5.240 1.00 0.00 C ATOM 110 CG LEU A 8 8.372 -4.157 -4.782 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.201 -4.002 -5.738 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.741 -5.616 -4.653 1.00 0.00 C ATOM 0 H LEU A 8 11.314 -1.353 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 8 8.433 -1.683 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.915 -3.735 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.364 -3.456 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 8 8.075 -3.787 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.363 -4.605 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.902 -2.955 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.497 -4.335 -6.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.871 -6.184 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.076 -5.993 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.543 -5.725 -3.923 1.00 0.00 H new ATOM 124 N PRO A 9 7.909 -0.460 -3.940 1.00 0.00 N ATOM 125 CA PRO A 9 7.599 0.290 -2.711 1.00 0.00 C ATOM 126 C PRO A 9 7.564 -0.618 -1.483 1.00 0.00 C ATOM 127 O PRO A 9 7.833 -0.193 -0.353 1.00 0.00 O ATOM 128 CB PRO A 9 6.133 0.736 -2.921 1.00 0.00 C ATOM 129 CG PRO A 9 5.761 0.438 -4.345 1.00 0.00 C ATOM 130 CD PRO A 9 6.927 -0.230 -5.020 1.00 0.00 C ATOM 0 HA PRO A 9 8.334 1.078 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.471 0.208 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.024 1.800 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.884 -0.209 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.499 1.358 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.628 -1.168 -5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.344 0.401 -5.805 1.00 0.00 H new ATOM 138 N PHE A 10 7.214 -1.859 -1.731 1.00 0.00 N ATOM 139 CA PHE A 10 7.017 -2.868 -0.710 1.00 0.00 C ATOM 140 C PHE A 10 8.316 -3.106 0.004 1.00 0.00 C ATOM 141 O PHE A 10 8.382 -3.255 1.237 1.00 0.00 O ATOM 142 CB PHE A 10 6.719 -4.200 -1.354 1.00 0.00 C ATOM 143 CG PHE A 10 5.492 -4.291 -2.218 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.616 -3.224 -2.383 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.248 -5.451 -2.913 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.511 -3.329 -3.226 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.157 -5.579 -3.755 1.00 0.00 C ATOM 148 CZ PHE A 10 3.278 -4.509 -3.914 1.00 0.00 C ATOM 0 H PHE A 10 7.053 -2.207 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 10 6.216 -2.524 -0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.580 -4.481 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.630 -4.944 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.794 -2.301 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.925 -6.285 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.838 -2.493 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.988 -6.504 -4.286 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.423 -4.599 -4.568 1.00 0.00 H new ATOM 158 N ALA A 11 9.353 -3.171 -0.810 1.00 0.00 N ATOM 159 CA ALA A 11 10.633 -3.684 -0.413 1.00 0.00 C ATOM 160 C ALA A 11 11.777 -2.718 -0.676 1.00 0.00 C ATOM 161 O ALA A 11 11.809 -2.010 -1.646 1.00 0.00 O ATOM 162 CB ALA A 11 10.841 -4.973 -1.201 1.00 0.00 C ATOM 0 H ALA A 11 9.320 -2.861 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 11 10.636 -3.849 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.805 -5.409 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.046 -5.679 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.822 -4.754 -2.269 1.00 0.00 H new ATOM 168 N ARG A 12 12.760 -2.741 0.207 1.00 0.00 N ATOM 169 CA ARG A 12 13.993 -1.965 0.006 1.00 0.00 C ATOM 170 C ARG A 12 15.178 -2.897 0.138 1.00 0.00 C ATOM 171 O ARG A 12 15.707 -3.063 1.220 1.00 0.00 O ATOM 172 CB ARG A 12 14.157 -0.802 1.002 1.00 0.00 C ATOM 173 CG ARG A 12 12.888 -0.385 1.749 1.00 0.00 C ATOM 174 CD ARG A 12 12.545 -1.361 2.876 1.00 0.00 C ATOM 175 NE ARG A 12 13.618 -1.446 3.876 1.00 0.00 N ATOM 176 CZ ARG A 12 13.982 -2.575 4.504 1.00 0.00 C ATOM 177 NH1 ARG A 12 13.429 -3.725 4.177 1.00 0.00 N ATOM 178 NH2 ARG A 12 14.918 -2.536 5.435 1.00 0.00 N ATOM 0 H ARG A 12 12.738 -3.283 1.071 1.00 0.00 H new ATOM 0 HA ARG A 12 13.935 -1.522 -0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.914 -1.080 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.540 0.064 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.022 0.615 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.055 -0.332 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.622 -1.045 3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.362 -2.350 2.456 1.00 0.00 H new ATOM 0 HE ARG A 12 14.120 -0.589 4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.721 -3.760 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.709 -4.580 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.362 -1.650 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.197 -3.392 5.914 1.00 0.00 H new ATOM 192 N PRO A 13 15.573 -3.578 -0.953 1.00 0.00 N ATOM 193 CA PRO A 13 16.654 -4.543 -0.909 1.00 0.00 C ATOM 194 C PRO A 13 17.947 -3.894 -0.532 1.00 0.00 C ATOM 195 O PRO A 13 18.260 -2.761 -0.921 1.00 0.00 O ATOM 196 CB PRO A 13 16.744 -5.105 -2.321 1.00 0.00 C ATOM 197 CG PRO A 13 15.503 -4.682 -2.997 1.00 0.00 C ATOM 198 CD PRO A 13 15.002 -3.447 -2.295 1.00 0.00 C ATOM 0 HA PRO A 13 16.466 -5.315 -0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.623 -4.722 -2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.831 -6.191 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.692 -4.474 -4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.756 -5.475 -2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.339 -2.536 -2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.913 -3.411 -2.269 1.00 0.00 H new ATOM 206 N THR A 14 18.691 -4.621 0.190 1.00 0.00 N ATOM 207 CA THR A 14 19.911 -4.156 0.784 1.00 0.00 C ATOM 208 C THR A 14 21.011 -3.842 -0.226 1.00 0.00 C ATOM 209 O THR A 14 21.798 -2.922 -0.058 1.00 0.00 O ATOM 210 CB THR A 14 20.406 -5.242 1.730 1.00 0.00 C ATOM 211 OG1 THR A 14 20.546 -6.483 1.023 1.00 0.00 O ATOM 212 CG2 THR A 14 19.404 -5.453 2.811 1.00 0.00 C ATOM 0 H THR A 14 18.478 -5.595 0.404 1.00 0.00 H new ATOM 0 HA THR A 14 19.691 -3.219 1.296 1.00 0.00 H new ATOM 0 HB THR A 14 21.365 -4.930 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.458 -6.822 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.758 -6.230 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.265 -4.525 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.454 -5.759 2.372 1.00 0.00 H new ATOM 220 N GLN A 15 21.015 -4.613 -1.273 1.00 0.00 N ATOM 221 CA GLN A 15 22.131 -4.694 -2.212 1.00 0.00 C ATOM 222 C GLN A 15 21.919 -3.790 -3.426 1.00 0.00 C ATOM 223 O GLN A 15 22.821 -3.464 -4.172 1.00 0.00 O ATOM 224 CB GLN A 15 22.103 -6.084 -2.729 1.00 0.00 C ATOM 225 CG GLN A 15 21.889 -7.117 -1.676 1.00 0.00 C ATOM 226 CD GLN A 15 21.203 -8.239 -2.328 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.908 -8.037 -2.523 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.801 -9.191 -2.773 1.00 0.00 N flip ATOM 0 H GLN A 15 20.234 -5.222 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 15 23.054 -4.403 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.311 -6.168 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.043 -6.290 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.839 -7.438 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.290 -6.718 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 15 22.799 -9.297 -2.591 1.00 0.00 H new ATOM 0 HE22 GLN A 15 21.307 -9.888 -3.330 1.00 0.00 H new ATOM 237 N LEU A 16 20.719 -3.359 -3.571 1.00 0.00 N ATOM 238 CA LEU A 16 20.264 -2.718 -4.780 1.00 0.00 C ATOM 239 C LEU A 16 20.611 -1.245 -4.816 1.00 0.00 C ATOM 240 O LEU A 16 20.502 -0.599 -5.852 1.00 0.00 O ATOM 241 CB LEU A 16 18.740 -2.977 -4.873 1.00 0.00 C ATOM 242 CG LEU A 16 17.936 -2.098 -5.807 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.703 -2.861 -6.267 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.503 -0.850 -5.048 1.00 0.00 C ATOM 0 H LEU A 16 20.003 -3.436 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 16 20.771 -3.135 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.593 -4.013 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.320 -2.876 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 16 18.536 -1.818 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.118 -2.235 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.010 -3.767 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.097 -3.128 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.922 -0.206 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.892 -1.138 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 16 18.385 -0.312 -4.700 1.00 0.00 H new ATOM 256 N THR A 17 21.072 -0.764 -3.730 1.00 0.00 N ATOM 257 CA THR A 17 21.333 0.639 -3.590 1.00 0.00 C ATOM 258 C THR A 17 22.427 1.142 -4.540 1.00 0.00 C ATOM 259 O THR A 17 22.298 2.201 -5.132 1.00 0.00 O ATOM 260 CB THR A 17 21.670 1.008 -2.120 1.00 0.00 C ATOM 261 OG1 THR A 17 21.764 2.433 -1.977 1.00 0.00 O ATOM 262 CG2 THR A 17 22.977 0.325 -1.676 1.00 0.00 C ATOM 0 H THR A 17 21.285 -1.320 -2.902 1.00 0.00 H new ATOM 0 HA THR A 17 20.411 1.147 -3.873 1.00 0.00 H new ATOM 0 HB THR A 17 20.867 0.649 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 17 21.975 2.655 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.196 0.596 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.866 -0.757 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.795 0.652 -2.318 1.00 0.00 H new ATOM 270 N ASP A 18 23.517 0.395 -4.657 1.00 0.00 N ATOM 271 CA ASP A 18 24.653 0.833 -5.452 1.00 0.00 C ATOM 272 C ASP A 18 25.010 -0.176 -6.543 1.00 0.00 C ATOM 273 O ASP A 18 25.938 0.046 -7.315 1.00 0.00 O ATOM 274 CB ASP A 18 25.848 1.059 -4.505 1.00 0.00 C ATOM 275 CG ASP A 18 27.078 1.680 -5.174 1.00 0.00 C ATOM 276 OD1 ASP A 18 26.958 2.729 -5.826 1.00 0.00 O ATOM 277 OD2 ASP A 18 28.194 1.121 -4.996 1.00 0.00 O ATOM 0 H ASP A 18 23.637 -0.515 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 18 24.394 1.761 -5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.530 1.705 -3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.133 0.103 -4.065 1.00 0.00 H new ATOM 282 N GLU A 19 24.247 -1.244 -6.639 1.00 0.00 N ATOM 283 CA GLU A 19 24.661 -2.330 -7.498 1.00 0.00 C ATOM 284 C GLU A 19 23.692 -2.509 -8.690 1.00 0.00 C ATOM 285 O GLU A 19 24.106 -2.469 -9.844 1.00 0.00 O ATOM 286 CB GLU A 19 24.736 -3.573 -6.639 1.00 0.00 C ATOM 287 CG GLU A 19 25.749 -3.389 -5.520 1.00 0.00 C ATOM 288 CD GLU A 19 25.918 -4.592 -4.614 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.902 -5.210 -4.250 1.00 0.00 O ATOM 290 OE2 GLU A 19 27.092 -4.915 -4.263 1.00 0.00 O ATOM 0 H GLU A 19 23.363 -1.382 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 19 25.635 -2.120 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.755 -3.790 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.015 -4.430 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 19 26.716 -3.144 -5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 19 25.449 -2.534 -4.914 1.00 0.00 H new ATOM 297 N PHE A 20 22.413 -2.690 -8.369 1.00 0.00 N ATOM 298 CA PHE A 20 21.261 -2.696 -9.328 1.00 0.00 C ATOM 299 C PHE A 20 21.260 -3.850 -10.342 1.00 0.00 C ATOM 300 O PHE A 20 20.203 -4.385 -10.680 1.00 0.00 O ATOM 301 CB PHE A 20 21.210 -1.363 -10.082 1.00 0.00 C ATOM 302 CG PHE A 20 20.815 -0.176 -9.241 1.00 0.00 C ATOM 303 CD1 PHE A 20 19.485 0.075 -8.951 1.00 0.00 C ATOM 304 CD2 PHE A 20 21.779 0.686 -8.745 1.00 0.00 C ATOM 305 CE1 PHE A 20 19.122 1.162 -8.171 1.00 0.00 C ATOM 306 CE2 PHE A 20 21.430 1.781 -7.976 1.00 0.00 C ATOM 307 CZ PHE A 20 20.087 2.015 -7.689 1.00 0.00 C ATOM 0 H PHE A 20 22.117 -2.844 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 20 20.375 -2.844 -8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 20 22.190 -1.171 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.505 -1.456 -10.908 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.721 -0.584 -9.337 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.820 0.500 -8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.082 1.339 -7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 20 22.192 2.449 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.804 2.866 -7.088 1.00 0.00 H new ATOM 317 N GLU A 21 22.416 -4.249 -10.801 1.00 0.00 N ATOM 318 CA GLU A 21 22.488 -5.294 -11.857 1.00 0.00 C ATOM 319 C GLU A 21 23.309 -6.492 -11.444 1.00 0.00 C ATOM 320 O GLU A 21 24.381 -6.363 -10.881 1.00 0.00 O ATOM 321 CB GLU A 21 23.009 -4.750 -13.153 1.00 0.00 C ATOM 322 CG GLU A 21 22.069 -3.775 -13.800 1.00 0.00 C ATOM 323 CD GLU A 21 22.629 -3.199 -15.049 1.00 0.00 C ATOM 324 OE1 GLU A 21 23.768 -3.552 -15.402 1.00 0.00 O ATOM 325 OE2 GLU A 21 21.909 -2.433 -15.718 1.00 0.00 O ATOM 0 H GLU A 21 23.318 -3.892 -10.486 1.00 0.00 H new ATOM 0 HA GLU A 21 21.460 -5.626 -12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.967 -4.260 -12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.195 -5.576 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.127 -4.275 -14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.844 -2.970 -13.100 1.00 0.00 H new ATOM 332 N PHE A 22 22.790 -7.687 -11.749 1.00 0.00 N ATOM 333 CA PHE A 22 23.438 -8.902 -11.314 1.00 0.00 C ATOM 334 C PHE A 22 23.387 -10.013 -12.362 1.00 0.00 C ATOM 335 O PHE A 22 22.565 -9.982 -13.282 1.00 0.00 O ATOM 336 CB PHE A 22 22.790 -9.379 -10.011 1.00 0.00 C ATOM 337 CG PHE A 22 22.714 -8.313 -8.936 1.00 0.00 C ATOM 338 CD1 PHE A 22 21.610 -7.457 -8.856 1.00 0.00 C ATOM 339 CD2 PHE A 22 23.731 -8.166 -8.016 1.00 0.00 C ATOM 340 CE1 PHE A 22 21.541 -6.489 -7.873 1.00 0.00 C ATOM 341 CE2 PHE A 22 23.664 -7.196 -7.035 1.00 0.00 C ATOM 342 CZ PHE A 22 22.569 -6.357 -6.959 1.00 0.00 C ATOM 0 H PHE A 22 21.935 -7.825 -12.288 1.00 0.00 H new ATOM 0 HA PHE A 22 24.492 -8.673 -11.155 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.783 -9.736 -10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.354 -10.229 -9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.805 -7.554 -9.569 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.591 -8.818 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 22 20.683 -5.835 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.471 -7.093 -6.324 1.00 0.00 H new ATOM 0 HZ PHE A 22 22.517 -5.602 -6.189 1.00 0.00 H new ATOM 352 N PRO A 23 24.316 -10.973 -12.243 1.00 0.00 N ATOM 353 CA PRO A 23 24.390 -12.195 -13.055 1.00 0.00 C ATOM 354 C PRO A 23 23.270 -13.190 -12.722 1.00 0.00 C ATOM 355 O PRO A 23 22.702 -13.163 -11.612 1.00 0.00 O ATOM 356 CB PRO A 23 25.746 -12.828 -12.719 1.00 0.00 C ATOM 357 CG PRO A 23 26.458 -11.820 -11.889 1.00 0.00 C ATOM 358 CD PRO A 23 25.422 -10.955 -11.262 1.00 0.00 C ATOM 0 HA PRO A 23 24.279 -11.950 -14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 23 25.619 -13.765 -12.176 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.307 -13.058 -13.625 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.064 -12.309 -11.126 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.135 -11.226 -12.502 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.106 -11.345 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 23 25.792 -9.944 -11.093 1.00 0.00 H new ATOM 366 N ILE A 24 22.969 -14.064 -13.658 1.00 0.00 N ATOM 367 CA ILE A 24 21.949 -15.097 -13.462 1.00 0.00 C ATOM 368 C ILE A 24 22.354 -16.078 -12.369 1.00 0.00 C ATOM 369 O ILE A 24 23.501 -16.515 -12.278 1.00 0.00 O ATOM 370 CB ILE A 24 21.656 -15.876 -14.780 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.029 -14.928 -15.788 1.00 0.00 C ATOM 372 CG2 ILE A 24 20.785 -17.113 -14.536 1.00 0.00 C ATOM 373 CD1 ILE A 24 20.947 -15.480 -17.175 1.00 0.00 C ATOM 0 H ILE A 24 23.416 -14.087 -14.575 1.00 0.00 H new ATOM 0 HA ILE A 24 21.039 -14.582 -13.154 1.00 0.00 H new ATOM 0 HB ILE A 24 22.596 -16.251 -15.184 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.025 -14.669 -15.452 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.606 -14.004 -15.810 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.606 -17.625 -15.482 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.296 -17.788 -13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.832 -16.808 -14.103 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.488 -14.743 -17.833 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.950 -15.713 -17.534 1.00 0.00 H new ATOM 0 HD13 ILE A 24 20.344 -16.388 -17.170 1.00 0.00 H new ATOM 385 N GLY A 25 21.376 -16.398 -11.525 1.00 0.00 N ATOM 386 CA GLY A 25 21.627 -17.227 -10.356 1.00 0.00 C ATOM 387 C GLY A 25 22.015 -16.424 -9.137 1.00 0.00 C ATOM 388 O GLY A 25 22.600 -16.955 -8.198 1.00 0.00 O ATOM 0 H GLY A 25 20.408 -16.096 -11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.733 -17.809 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.421 -17.937 -10.585 1.00 0.00 H new ATOM 392 N THR A 26 21.714 -15.146 -9.159 1.00 0.00 N ATOM 393 CA THR A 26 22.033 -14.258 -8.045 1.00 0.00 C ATOM 394 C THR A 26 20.760 -13.929 -7.271 1.00 0.00 C ATOM 395 O THR A 26 19.756 -13.477 -7.843 1.00 0.00 O ATOM 396 CB THR A 26 22.661 -12.941 -8.534 1.00 0.00 C ATOM 397 OG1 THR A 26 23.870 -13.228 -9.220 1.00 0.00 O ATOM 398 CG2 THR A 26 22.968 -12.036 -7.360 1.00 0.00 C ATOM 0 H THR A 26 21.245 -14.687 -9.940 1.00 0.00 H new ATOM 0 HA THR A 26 22.751 -14.774 -7.407 1.00 0.00 H new ATOM 0 HB THR A 26 21.957 -12.440 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.676 -13.405 -10.164 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.412 -11.109 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.047 -11.812 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.667 -12.535 -6.689 1.00 0.00 H new ATOM 406 N TYR A 27 20.824 -14.140 -5.976 1.00 0.00 N ATOM 407 CA TYR A 27 19.707 -13.925 -5.085 1.00 0.00 C ATOM 408 C TYR A 27 19.835 -12.598 -4.386 1.00 0.00 C ATOM 409 O TYR A 27 20.886 -12.250 -3.857 1.00 0.00 O ATOM 410 CB TYR A 27 19.698 -15.048 -4.039 1.00 0.00 C ATOM 411 CG TYR A 27 19.233 -16.388 -4.568 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.019 -17.133 -5.441 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.018 -16.913 -4.147 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.586 -18.371 -5.897 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.583 -18.149 -4.600 1.00 0.00 C ATOM 416 CZ TYR A 27 18.371 -18.867 -5.475 1.00 0.00 C ATOM 417 OH TYR A 27 17.943 -20.098 -5.924 1.00 0.00 O ATOM 0 H TYR A 27 21.666 -14.471 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 27 18.781 -13.926 -5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.704 -15.160 -3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.052 -14.753 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.973 -16.746 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.404 -16.351 -3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.198 -18.943 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.634 -18.546 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 27 17.068 -20.303 -5.533 1.00 0.00 H new ATOM 427 N LEU A 28 18.750 -11.865 -4.390 1.00 0.00 N ATOM 428 CA LEU A 28 18.659 -10.561 -3.762 1.00 0.00 C ATOM 429 C LEU A 28 17.756 -10.577 -2.564 1.00 0.00 C ATOM 430 O LEU A 28 16.741 -11.246 -2.541 1.00 0.00 O ATOM 431 CB LEU A 28 18.192 -9.466 -4.726 1.00 0.00 C ATOM 432 CG LEU A 28 19.239 -8.836 -5.651 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.891 -9.849 -6.572 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.588 -7.699 -6.452 1.00 0.00 C ATOM 0 H LEU A 28 17.883 -12.161 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 28 19.675 -10.326 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.401 -9.883 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.743 -8.668 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 28 20.040 -8.435 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.624 -9.347 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.389 -10.614 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.130 -10.315 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.329 -7.248 -7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.767 -8.098 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.205 -6.944 -5.766 1.00 0.00 H new ATOM 446 N ASN A 29 18.133 -9.808 -1.579 1.00 0.00 N ATOM 447 CA ASN A 29 17.425 -9.756 -0.351 1.00 0.00 C ATOM 448 C ASN A 29 16.369 -8.670 -0.403 1.00 0.00 C ATOM 449 O ASN A 29 16.678 -7.471 -0.344 1.00 0.00 O ATOM 450 CB ASN A 29 18.406 -9.430 0.751 1.00 0.00 C ATOM 451 CG ASN A 29 17.858 -9.797 2.126 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.145 -10.781 2.286 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.161 -8.979 3.125 1.00 0.00 N ATOM 0 H ASN A 29 18.950 -9.198 -1.617 1.00 0.00 H new ATOM 0 HA ASN A 29 16.941 -10.715 -0.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.339 -9.966 0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.640 -8.366 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.798 -9.160 4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.757 -8.169 2.958 1.00 0.00 H new ATOM 460 N TYR A 30 15.154 -9.117 -0.552 1.00 0.00 N ATOM 461 CA TYR A 30 13.941 -8.289 -0.512 1.00 0.00 C ATOM 462 C TYR A 30 13.166 -8.517 0.762 1.00 0.00 C ATOM 463 O TYR A 30 12.968 -9.643 1.171 1.00 0.00 O ATOM 464 CB TYR A 30 13.045 -8.576 -1.750 1.00 0.00 C ATOM 465 CG TYR A 30 13.446 -7.839 -3.003 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.700 -7.968 -3.565 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.520 -7.019 -3.638 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.022 -7.281 -4.721 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.831 -6.326 -4.787 1.00 0.00 C ATOM 470 CZ TYR A 30 14.097 -6.464 -5.327 1.00 0.00 C ATOM 471 OH TYR A 30 14.427 -5.769 -6.472 1.00 0.00 O ATOM 0 H TYR A 30 14.954 -10.104 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 30 14.248 -7.244 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.062 -9.647 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.016 -8.315 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.434 -8.609 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.529 -6.923 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.007 -7.387 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.099 -5.686 -5.258 1.00 0.00 H new ATOM 0 HH TYR A 30 13.656 -5.241 -6.768 1.00 0.00 H new ATOM 481 N GLU A 31 12.762 -7.422 1.366 1.00 0.00 N ATOM 482 CA GLU A 31 11.990 -7.445 2.593 1.00 0.00 C ATOM 483 C GLU A 31 10.686 -6.689 2.405 1.00 0.00 C ATOM 484 O GLU A 31 10.685 -5.611 1.809 1.00 0.00 O ATOM 485 CB GLU A 31 12.769 -6.808 3.753 1.00 0.00 C ATOM 486 CG GLU A 31 13.982 -7.580 4.221 1.00 0.00 C ATOM 487 CD GLU A 31 14.739 -6.838 5.309 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.318 -5.712 5.668 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.737 -7.377 5.809 1.00 0.00 O ATOM 0 H GLU A 31 12.960 -6.483 1.019 1.00 0.00 H new ATOM 0 HA GLU A 31 11.786 -8.488 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.089 -5.811 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.091 -6.682 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.670 -8.555 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.646 -7.761 3.376 1.00 0.00 H new ATOM 496 N CYS A 32 9.603 -7.211 2.926 1.00 0.00 N ATOM 497 CA CYS A 32 8.345 -6.493 2.889 1.00 0.00 C ATOM 498 C CYS A 32 8.398 -5.631 4.126 1.00 0.00 C ATOM 499 O CYS A 32 8.729 -6.129 5.207 1.00 0.00 O ATOM 500 CB CYS A 32 7.148 -7.475 2.949 1.00 0.00 C ATOM 501 SG CYS A 32 7.112 -8.603 1.526 1.00 0.00 S ATOM 0 H CYS A 32 9.563 -8.124 3.379 1.00 0.00 H new ATOM 0 HA CYS A 32 8.210 -5.916 1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.203 -8.056 3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.217 -6.909 2.985 1.00 0.00 H new ATOM 506 N ARG A 33 8.123 -4.343 3.999 1.00 0.00 N ATOM 507 CA ARG A 33 8.409 -3.455 5.147 1.00 0.00 C ATOM 508 C ARG A 33 7.219 -2.699 5.743 1.00 0.00 C ATOM 509 O ARG A 33 6.870 -2.949 6.899 1.00 0.00 O ATOM 510 CB ARG A 33 9.515 -2.498 4.778 1.00 0.00 C ATOM 511 CG ARG A 33 10.739 -2.618 5.644 1.00 0.00 C ATOM 512 CD ARG A 33 10.540 -1.968 6.992 1.00 0.00 C ATOM 513 NE ARG A 33 11.817 -1.667 7.654 1.00 0.00 N ATOM 514 CZ ARG A 33 12.506 -0.521 7.457 1.00 0.00 C ATOM 515 NH1 ARG A 33 12.058 0.399 6.591 1.00 0.00 N ATOM 516 NH2 ARG A 33 13.645 -0.304 8.108 1.00 0.00 N ATOM 0 H ARG A 33 7.726 -3.896 3.173 1.00 0.00 H new ATOM 0 HA ARG A 33 8.711 -4.127 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.799 -2.669 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.136 -1.478 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.985 -3.671 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.588 -2.156 5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.970 -1.047 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.949 -2.627 7.628 1.00 0.00 H new ATOM 0 HE ARG A 33 12.204 -2.359 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.193 0.236 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.583 1.262 6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.002 -1.004 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.162 0.562 7.957 1.00 0.00 H new ATOM 530 N PRO A 34 6.549 -1.815 4.996 1.00 0.00 N ATOM 531 CA PRO A 34 5.519 -0.956 5.574 1.00 0.00 C ATOM 532 C PRO A 34 4.172 -1.654 5.774 1.00 0.00 C ATOM 533 O PRO A 34 3.132 -1.181 5.319 1.00 0.00 O ATOM 534 CB PRO A 34 5.433 0.203 4.594 1.00 0.00 C ATOM 535 CG PRO A 34 5.780 -0.398 3.275 1.00 0.00 C ATOM 536 CD PRO A 34 6.719 -1.555 3.555 1.00 0.00 C ATOM 0 HA PRO A 34 5.777 -0.642 6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.434 0.639 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.126 1.001 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.884 -0.743 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.256 0.338 2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.462 -2.431 2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.751 -1.298 3.315 1.00 0.00 H new ATOM 544 N GLY A 35 4.206 -2.785 6.457 1.00 0.00 N ATOM 545 CA GLY A 35 2.994 -3.486 6.797 1.00 0.00 C ATOM 546 C GLY A 35 2.514 -4.513 5.788 1.00 0.00 C ATOM 547 O GLY A 35 1.420 -5.028 5.928 1.00 0.00 O ATOM 0 H GLY A 35 5.062 -3.232 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.144 -3.988 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.202 -2.752 6.943 1.00 0.00 H new ATOM 551 N TYR A 36 3.295 -4.844 4.785 1.00 0.00 N ATOM 552 CA TYR A 36 2.786 -5.817 3.826 1.00 0.00 C ATOM 553 C TYR A 36 2.984 -7.252 4.323 1.00 0.00 C ATOM 554 O TYR A 36 4.040 -7.621 4.829 1.00 0.00 O ATOM 555 CB TYR A 36 3.413 -5.648 2.479 1.00 0.00 C ATOM 556 CG TYR A 36 3.073 -4.352 1.813 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.827 -4.163 1.280 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.984 -3.323 1.732 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.484 -2.983 0.669 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.670 -2.134 1.130 1.00 0.00 C ATOM 561 CZ TYR A 36 2.418 -1.967 0.592 1.00 0.00 C ATOM 562 OH TYR A 36 2.086 -0.794 -0.002 1.00 0.00 O ATOM 0 H TYR A 36 4.233 -4.483 4.610 1.00 0.00 H new ATOM 0 HA TYR A 36 1.716 -5.630 3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.496 -5.720 2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.098 -6.470 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.099 -4.958 1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.969 -3.457 2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.496 -2.850 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.398 -1.338 1.079 1.00 0.00 H new ATOM 0 HH TYR A 36 1.307 -0.407 0.450 1.00 0.00 H new ATOM 572 N SER A 37 1.954 -8.031 4.123 1.00 0.00 N ATOM 573 CA SER A 37 1.834 -9.416 4.608 1.00 0.00 C ATOM 574 C SER A 37 2.829 -10.401 4.033 1.00 0.00 C ATOM 575 O SER A 37 3.265 -11.341 4.699 1.00 0.00 O ATOM 576 CB SER A 37 0.482 -9.931 4.243 1.00 0.00 C ATOM 577 OG SER A 37 0.312 -9.881 2.855 1.00 0.00 O ATOM 0 H SER A 37 1.134 -7.724 3.600 1.00 0.00 H new ATOM 0 HA SER A 37 2.022 -9.354 5.680 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.366 -10.956 4.596 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.288 -9.336 4.734 1.00 0.00 H new ATOM 0 HG SER A 37 0.466 -10.771 2.474 1.00 0.00 H new ATOM 583 N GLY A 38 3.177 -10.185 2.794 1.00 0.00 N ATOM 584 CA GLY A 38 3.860 -11.202 2.012 1.00 0.00 C ATOM 585 C GLY A 38 5.159 -11.739 2.571 1.00 0.00 C ATOM 586 O GLY A 38 5.853 -11.090 3.337 1.00 0.00 O ATOM 0 H GLY A 38 3.002 -9.313 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.177 -12.041 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.061 -10.791 1.023 1.00 0.00 H new ATOM 590 N ARG A 39 5.423 -12.965 2.179 1.00 0.00 N ATOM 591 CA ARG A 39 6.614 -13.680 2.536 1.00 0.00 C ATOM 592 C ARG A 39 7.726 -13.286 1.587 1.00 0.00 C ATOM 593 O ARG A 39 7.730 -13.701 0.429 1.00 0.00 O ATOM 594 CB ARG A 39 6.343 -15.165 2.426 1.00 0.00 C ATOM 595 CG ARG A 39 6.667 -15.985 3.654 1.00 0.00 C ATOM 596 CD ARG A 39 8.146 -15.956 4.014 1.00 0.00 C ATOM 597 NE ARG A 39 8.476 -14.920 4.995 1.00 0.00 N ATOM 598 CZ ARG A 39 8.395 -15.102 6.320 1.00 0.00 C ATOM 599 NH1 ARG A 39 7.936 -16.242 6.831 1.00 0.00 N ATOM 600 NH2 ARG A 39 8.798 -14.132 7.159 1.00 0.00 N ATOM 0 H ARG A 39 4.792 -13.503 1.585 1.00 0.00 H new ATOM 0 HA ARG A 39 6.910 -13.440 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.289 -15.306 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.917 -15.559 1.587 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.086 -15.612 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.359 -17.017 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.437 -16.929 4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.731 -15.792 3.109 1.00 0.00 H new ATOM 0 HE ARG A 39 8.784 -14.011 4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.639 -16.995 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.882 -16.362 7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.166 -13.256 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.736 -14.272 8.167 1.00 0.00 H new ATOM 614 N PRO A 40 8.665 -12.470 2.057 1.00 0.00 N ATOM 615 CA PRO A 40 9.751 -12.011 1.234 1.00 0.00 C ATOM 616 C PRO A 40 10.588 -13.150 0.771 1.00 0.00 C ATOM 617 O PRO A 40 10.804 -14.126 1.507 1.00 0.00 O ATOM 618 CB PRO A 40 10.568 -11.100 2.151 1.00 0.00 C ATOM 619 CG PRO A 40 9.657 -10.790 3.284 1.00 0.00 C ATOM 620 CD PRO A 40 8.769 -11.986 3.421 1.00 0.00 C ATOM 0 HA PRO A 40 9.395 -11.502 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.475 -11.596 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.879 -10.193 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.218 -10.611 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.075 -9.890 3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.201 -12.736 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.795 -11.721 3.831 1.00 0.00 H new ATOM 628 N PHE A 41 11.073 -13.042 -0.432 1.00 0.00 N ATOM 629 CA PHE A 41 11.931 -14.037 -0.980 1.00 0.00 C ATOM 630 C PHE A 41 12.840 -13.351 -1.950 1.00 0.00 C ATOM 631 O PHE A 41 12.532 -12.248 -2.432 1.00 0.00 O ATOM 632 CB PHE A 41 11.108 -15.152 -1.671 1.00 0.00 C ATOM 633 CG PHE A 41 11.899 -16.263 -2.273 1.00 0.00 C ATOM 634 CD1 PHE A 41 12.632 -17.120 -1.469 1.00 0.00 C ATOM 635 CD2 PHE A 41 11.877 -16.478 -3.641 1.00 0.00 C ATOM 636 CE1 PHE A 41 13.336 -18.173 -2.007 1.00 0.00 C ATOM 637 CE2 PHE A 41 12.576 -17.522 -4.198 1.00 0.00 C ATOM 638 CZ PHE A 41 13.308 -18.372 -3.380 1.00 0.00 C ATOM 0 H PHE A 41 10.881 -12.259 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 41 12.513 -14.521 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.420 -15.576 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.501 -14.697 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.651 -16.959 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.305 -15.819 -4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.903 -18.835 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.556 -17.680 -5.266 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.859 -19.193 -3.815 1.00 0.00 H new ATOM 648 N SER A 42 13.933 -13.944 -2.224 1.00 0.00 N ATOM 649 CA SER A 42 14.859 -13.366 -3.140 1.00 0.00 C ATOM 650 C SER A 42 14.323 -13.406 -4.583 1.00 0.00 C ATOM 651 O SER A 42 13.635 -14.350 -4.973 1.00 0.00 O ATOM 652 CB SER A 42 16.166 -14.145 -3.063 1.00 0.00 C ATOM 653 OG SER A 42 16.724 -14.056 -1.781 1.00 0.00 O ATOM 0 H SER A 42 14.221 -14.839 -1.828 1.00 0.00 H new ATOM 0 HA SER A 42 15.014 -12.321 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.987 -15.190 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.870 -13.756 -3.799 1.00 0.00 H new ATOM 0 HG SER A 42 16.927 -13.119 -1.577 1.00 0.00 H new ATOM 659 N ILE A 43 14.650 -12.397 -5.354 1.00 0.00 N ATOM 660 CA ILE A 43 14.371 -12.429 -6.771 1.00 0.00 C ATOM 661 C ILE A 43 15.648 -12.789 -7.450 1.00 0.00 C ATOM 662 O ILE A 43 16.702 -12.243 -7.124 1.00 0.00 O ATOM 663 CB ILE A 43 13.872 -11.093 -7.337 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.890 -9.975 -7.137 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.540 -10.712 -6.725 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.548 -8.691 -7.877 1.00 0.00 C ATOM 0 H ILE A 43 15.108 -11.546 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 43 13.571 -13.148 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 43 13.738 -11.228 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.972 -9.758 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.868 -10.324 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.207 -9.762 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.803 -11.484 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.650 -10.616 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.319 -7.944 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.495 -8.891 -8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.585 -8.316 -7.530 1.00 0.00 H new ATOM 678 N ILE A 44 15.592 -13.733 -8.322 1.00 0.00 N ATOM 679 CA ILE A 44 16.804 -14.238 -8.942 1.00 0.00 C ATOM 680 C ILE A 44 16.717 -14.033 -10.457 1.00 0.00 C ATOM 681 O ILE A 44 15.707 -14.343 -11.054 1.00 0.00 O ATOM 682 CB ILE A 44 17.004 -15.749 -8.647 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.729 -16.035 -7.176 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.432 -16.154 -8.976 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.306 -16.489 -6.906 1.00 0.00 C ATOM 0 H ILE A 44 14.731 -14.182 -8.633 1.00 0.00 H new ATOM 0 HA ILE A 44 17.652 -13.692 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 44 16.310 -16.321 -9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.420 -16.803 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.932 -15.136 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.567 -17.215 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.630 -15.964 -10.031 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.124 -15.574 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.180 -16.675 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.610 -15.713 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.105 -17.406 -7.460 1.00 0.00 H new ATOM 697 N CYS A 45 17.720 -13.471 -11.079 1.00 0.00 N ATOM 698 CA CYS A 45 17.674 -13.371 -12.524 1.00 0.00 C ATOM 699 C CYS A 45 17.861 -14.758 -13.114 1.00 0.00 C ATOM 700 O CYS A 45 18.966 -15.248 -13.203 1.00 0.00 O ATOM 701 CB CYS A 45 18.722 -12.410 -13.053 1.00 0.00 C ATOM 702 SG CYS A 45 18.042 -10.796 -13.516 1.00 0.00 S ATOM 0 H CYS A 45 18.553 -13.086 -10.633 1.00 0.00 H new ATOM 0 HA CYS A 45 16.705 -12.971 -12.822 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.492 -12.269 -12.294 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.208 -12.855 -13.921 1.00 0.00 H new ATOM 707 N LEU A 46 16.737 -15.422 -13.420 1.00 0.00 N ATOM 708 CA LEU A 46 16.771 -16.774 -13.977 1.00 0.00 C ATOM 709 C LEU A 46 16.347 -16.825 -15.447 1.00 0.00 C ATOM 710 O LEU A 46 16.801 -17.674 -16.199 1.00 0.00 O ATOM 711 CB LEU A 46 15.820 -17.667 -13.180 1.00 0.00 C ATOM 712 CG LEU A 46 16.117 -17.833 -11.700 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.044 -18.688 -11.043 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.515 -18.428 -11.489 1.00 0.00 C ATOM 0 H LEU A 46 15.799 -15.043 -13.290 1.00 0.00 H new ATOM 0 HA LEU A 46 17.803 -17.118 -13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.812 -17.266 -13.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.817 -18.656 -13.639 1.00 0.00 H new ATOM 0 HG LEU A 46 16.105 -16.851 -11.227 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.267 -18.800 -9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.073 -18.207 -11.161 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.022 -19.670 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.706 -18.538 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.571 -19.404 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.262 -17.765 -11.925 1.00 0.00 H new ATOM 726 N LYS A 47 15.465 -15.911 -15.846 1.00 0.00 N ATOM 727 CA LYS A 47 14.893 -15.918 -17.213 1.00 0.00 C ATOM 728 C LYS A 47 15.214 -14.791 -18.021 1.00 0.00 C ATOM 729 O LYS A 47 14.787 -13.689 -17.747 1.00 0.00 O ATOM 730 CB LYS A 47 13.423 -16.177 -17.177 1.00 0.00 C ATOM 731 CG LYS A 47 13.259 -17.529 -16.796 1.00 0.00 C ATOM 732 CD LYS A 47 13.658 -18.452 -17.963 1.00 0.00 C ATOM 733 CE LYS A 47 13.814 -19.821 -17.490 1.00 0.00 C ATOM 734 NZ LYS A 47 13.883 -20.820 -18.578 1.00 0.00 N ATOM 0 H LYS A 47 15.125 -15.154 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 47 15.389 -16.747 -17.717 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.930 -15.512 -16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.973 -15.992 -18.153 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.872 -17.747 -15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.223 -17.713 -16.512 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.898 -18.413 -18.743 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.590 -18.105 -18.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.721 -19.888 -16.889 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.979 -20.067 -16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.994 -21.770 -18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.008 -20.784 -19.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.696 -20.610 -19.191 1.00 0.00 H new ATOM 748 N ASN A 48 15.948 -15.068 -19.066 1.00 0.00 N ATOM 749 CA ASN A 48 16.310 -14.046 -20.024 1.00 0.00 C ATOM 750 C ASN A 48 17.023 -12.894 -19.331 1.00 0.00 C ATOM 751 O ASN A 48 16.880 -11.739 -19.743 1.00 0.00 O ATOM 752 CB ASN A 48 15.041 -13.542 -20.760 1.00 0.00 C ATOM 753 CG ASN A 48 14.474 -14.558 -21.762 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.170 -15.475 -22.187 1.00 0.00 O ATOM 755 ND2 ASN A 48 13.224 -14.371 -22.150 1.00 0.00 N ATOM 0 H ASN A 48 16.311 -15.997 -19.280 1.00 0.00 H new ATOM 0 HA ASN A 48 16.994 -14.474 -20.757 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.274 -13.302 -20.024 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.278 -12.617 -21.286 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.801 -15.003 -22.830 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.683 -13.595 -21.770 1.00 0.00 H new ATOM 762 N SER A 49 17.809 -13.219 -18.292 1.00 0.00 N ATOM 763 CA SER A 49 18.480 -12.191 -17.478 1.00 0.00 C ATOM 764 C SER A 49 17.452 -11.256 -16.839 1.00 0.00 C ATOM 765 O SER A 49 17.677 -10.067 -16.676 1.00 0.00 O ATOM 766 CB SER A 49 19.515 -11.407 -18.310 1.00 0.00 C ATOM 767 OG SER A 49 20.218 -12.274 -19.184 1.00 0.00 O ATOM 0 H SER A 49 17.995 -14.177 -17.997 1.00 0.00 H new ATOM 0 HA SER A 49 19.023 -12.692 -16.677 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.012 -10.631 -18.887 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.218 -10.905 -17.645 1.00 0.00 H new ATOM 0 HG SER A 49 20.868 -11.757 -19.704 1.00 0.00 H new ATOM 773 N VAL A 50 16.307 -11.838 -16.501 1.00 0.00 N ATOM 774 CA VAL A 50 15.211 -11.158 -15.907 1.00 0.00 C ATOM 775 C VAL A 50 14.846 -11.925 -14.635 1.00 0.00 C ATOM 776 O VAL A 50 15.178 -13.117 -14.484 1.00 0.00 O ATOM 777 CB VAL A 50 13.975 -11.067 -16.884 1.00 0.00 C ATOM 778 CG1 VAL A 50 12.693 -10.611 -16.189 1.00 0.00 C ATOM 779 CG2 VAL A 50 14.282 -10.163 -18.075 1.00 0.00 C ATOM 0 H VAL A 50 16.131 -12.832 -16.647 1.00 0.00 H new ATOM 0 HA VAL A 50 15.490 -10.129 -15.678 1.00 0.00 H new ATOM 0 HB VAL A 50 13.798 -12.081 -17.242 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.881 -10.569 -16.915 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.437 -11.316 -15.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.845 -9.622 -15.757 1.00 0.00 H new ATOM 0 HG21 VAL A 50 13.413 -10.119 -18.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.520 -9.160 -17.719 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.133 -10.564 -18.626 1.00 0.00 H new ATOM 789 N TRP A 51 14.177 -11.269 -13.755 1.00 0.00 N ATOM 790 CA TRP A 51 13.932 -11.743 -12.401 1.00 0.00 C ATOM 791 C TRP A 51 12.752 -12.745 -12.330 1.00 0.00 C ATOM 792 O TRP A 51 11.860 -12.737 -13.172 1.00 0.00 O ATOM 793 CB TRP A 51 13.673 -10.554 -11.504 1.00 0.00 C ATOM 794 CG TRP A 51 14.852 -9.606 -11.462 1.00 0.00 C ATOM 795 CD1 TRP A 51 14.939 -8.411 -12.120 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.103 -9.777 -10.783 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.157 -7.823 -11.877 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.882 -8.636 -11.056 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.638 -10.769 -9.969 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.167 -8.468 -10.546 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.916 -10.594 -9.472 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.660 -9.461 -9.756 1.00 0.00 C ATOM 0 H TRP A 51 13.763 -10.356 -13.944 1.00 0.00 H new ATOM 0 HA TRP A 51 14.817 -12.282 -12.064 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.791 -10.020 -11.857 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.452 -10.903 -10.495 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.162 -7.990 -12.741 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.468 -6.926 -12.249 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.069 -11.655 -9.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.749 -7.586 -10.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.346 -11.361 -8.845 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.653 -9.363 -9.342 1.00 0.00 H new ATOM 813 N THR A 52 12.802 -13.632 -11.321 1.00 0.00 N ATOM 814 CA THR A 52 11.888 -14.766 -11.186 1.00 0.00 C ATOM 815 C THR A 52 10.422 -14.333 -11.034 1.00 0.00 C ATOM 816 O THR A 52 9.511 -14.961 -11.608 1.00 0.00 O ATOM 817 CB THR A 52 12.271 -15.515 -9.894 1.00 0.00 C ATOM 818 OG1 THR A 52 12.132 -14.637 -8.762 1.00 0.00 O ATOM 819 CG2 THR A 52 13.693 -15.909 -9.960 1.00 0.00 C ATOM 0 H THR A 52 13.489 -13.576 -10.570 1.00 0.00 H new ATOM 0 HA THR A 52 11.974 -15.375 -12.086 1.00 0.00 H new ATOM 0 HB THR A 52 11.623 -16.385 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.375 -15.118 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.966 -16.439 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.850 -16.561 -10.819 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.313 -15.018 -10.062 1.00 0.00 H new ATOM 827 N GLY A 53 10.196 -13.299 -10.257 1.00 0.00 N ATOM 828 CA GLY A 53 8.842 -12.802 -10.035 1.00 0.00 C ATOM 829 C GLY A 53 8.722 -12.016 -8.739 1.00 0.00 C ATOM 830 O GLY A 53 8.415 -12.562 -7.689 1.00 0.00 O ATOM 0 H GLY A 53 10.925 -12.781 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.549 -12.167 -10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.148 -13.642 -10.014 1.00 0.00 H new ATOM 834 N ALA A 54 8.993 -10.740 -8.829 1.00 0.00 N ATOM 835 CA ALA A 54 8.932 -9.841 -7.687 1.00 0.00 C ATOM 836 C ALA A 54 7.532 -9.273 -7.489 1.00 0.00 C ATOM 837 O ALA A 54 7.286 -8.499 -6.566 1.00 0.00 O ATOM 838 CB ALA A 54 9.945 -8.729 -7.855 1.00 0.00 C ATOM 0 H ALA A 54 9.265 -10.284 -9.700 1.00 0.00 H new ATOM 0 HA ALA A 54 9.175 -10.413 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.895 -8.059 -6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.946 -9.156 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.725 -8.171 -8.765 1.00 0.00 H new ATOM 844 N LYS A 55 6.618 -9.635 -8.392 1.00 0.00 N ATOM 845 CA LYS A 55 5.286 -9.122 -8.377 1.00 0.00 C ATOM 846 C LYS A 55 4.430 -9.640 -7.240 1.00 0.00 C ATOM 847 O LYS A 55 4.437 -10.832 -6.898 1.00 0.00 O ATOM 848 CB LYS A 55 4.606 -9.447 -9.655 1.00 0.00 C ATOM 849 CG LYS A 55 3.235 -8.915 -9.670 1.00 0.00 C ATOM 850 CD LYS A 55 2.533 -9.202 -10.931 1.00 0.00 C ATOM 851 CE LYS A 55 1.198 -8.619 -10.840 1.00 0.00 C ATOM 852 NZ LYS A 55 0.427 -8.840 -12.072 1.00 0.00 N ATOM 0 H LYS A 55 6.802 -10.295 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 55 5.392 -8.046 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.171 -9.030 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.583 -10.528 -9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.673 -9.343 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.265 -7.837 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.077 -8.780 -11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.470 -10.277 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.667 -9.055 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.280 -7.549 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.516 -8.413 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.922 -8.402 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.328 -9.861 -12.241 1.00 0.00 H new ATOM 866 N ASP A 56 3.702 -8.675 -6.631 1.00 0.00 N ATOM 867 CA ASP A 56 2.664 -8.937 -5.605 1.00 0.00 C ATOM 868 C ASP A 56 3.200 -9.753 -4.466 1.00 0.00 C ATOM 869 O ASP A 56 2.480 -10.523 -3.835 1.00 0.00 O ATOM 870 CB ASP A 56 1.419 -9.585 -6.246 1.00 0.00 C ATOM 871 CG ASP A 56 0.590 -8.615 -7.096 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.801 -7.390 -6.980 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.286 -9.083 -7.878 1.00 0.00 O ATOM 0 H ASP A 56 3.819 -7.683 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 56 2.359 -7.980 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.735 -10.421 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.787 -9.995 -5.458 1.00 0.00 H new ATOM 878 N ARG A 57 4.474 -9.559 -4.191 1.00 0.00 N ATOM 879 CA ARG A 57 5.141 -10.308 -3.129 1.00 0.00 C ATOM 880 C ARG A 57 4.583 -9.979 -1.758 1.00 0.00 C ATOM 881 O ARG A 57 4.403 -10.857 -0.926 1.00 0.00 O ATOM 882 CB ARG A 57 6.627 -10.041 -3.101 1.00 0.00 C ATOM 883 CG ARG A 57 7.374 -10.554 -4.305 1.00 0.00 C ATOM 884 CD ARG A 57 7.207 -12.040 -4.474 1.00 0.00 C ATOM 885 NE ARG A 57 7.693 -12.832 -3.328 1.00 0.00 N ATOM 886 CZ ARG A 57 7.609 -14.170 -3.264 1.00 0.00 C ATOM 887 NH1 ARG A 57 7.297 -14.871 -4.345 1.00 0.00 N ATOM 888 NH2 ARG A 57 7.849 -14.804 -2.114 1.00 0.00 N ATOM 0 H ARG A 57 5.071 -8.894 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 57 4.956 -11.358 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.789 -8.966 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.049 -10.497 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.016 -10.044 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.433 -10.316 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.152 -12.261 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.738 -12.355 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 57 8.115 -12.336 -2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.120 -14.394 -5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.234 -15.888 -4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.097 -14.271 -1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.784 -15.821 -2.069 1.00 0.00 H new ATOM 902 N CYS A 58 4.305 -8.738 -1.567 1.00 0.00 N ATOM 903 CA CYS A 58 3.911 -8.218 -0.269 1.00 0.00 C ATOM 904 C CYS A 58 2.474 -7.769 -0.463 1.00 0.00 C ATOM 905 O CYS A 58 2.147 -7.337 -1.564 1.00 0.00 O ATOM 906 CB CYS A 58 4.831 -7.031 -0.002 1.00 0.00 C ATOM 907 SG CYS A 58 6.625 -7.477 -0.068 1.00 0.00 S ATOM 0 H CYS A 58 4.340 -8.033 -2.303 1.00 0.00 H new ATOM 0 HA CYS A 58 3.982 -8.921 0.561 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.629 -6.250 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.602 -6.614 0.979 1.00 0.00 H new ATOM 912 N ARG A 59 1.603 -7.841 0.531 1.00 0.00 N ATOM 913 CA ARG A 59 0.226 -7.671 0.128 1.00 0.00 C ATOM 914 C ARG A 59 -0.558 -6.608 0.907 1.00 0.00 C ATOM 915 O ARG A 59 -0.438 -6.470 2.118 1.00 0.00 O ATOM 916 CB ARG A 59 -0.478 -9.024 0.278 1.00 0.00 C ATOM 917 CG ARG A 59 0.144 -10.109 -0.582 1.00 0.00 C ATOM 918 CD ARG A 59 -0.507 -11.470 -0.348 1.00 0.00 C ATOM 919 NE ARG A 59 -1.894 -11.514 -0.791 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.257 -11.822 -2.048 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.330 -12.083 -2.966 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.545 -11.884 -2.380 1.00 0.00 N ATOM 0 H ARG A 59 1.795 -7.999 1.520 1.00 0.00 H new ATOM 0 HA ARG A 59 0.246 -7.313 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.445 -9.332 1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.529 -8.913 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.048 -9.837 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.210 -10.176 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.063 -12.236 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.461 -11.712 0.714 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.626 -11.300 -0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.342 -12.050 -2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.608 -12.317 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.262 -11.697 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.815 -12.118 -3.335 1.00 0.00 H new ATOM 936 N ARG A 60 -1.317 -5.884 0.124 1.00 0.00 N ATOM 937 CA ARG A 60 -2.416 -5.004 0.510 1.00 0.00 C ATOM 938 C ARG A 60 -3.646 -5.784 1.008 1.00 0.00 C ATOM 939 O ARG A 60 -4.057 -6.760 0.385 1.00 0.00 O ATOM 940 CB ARG A 60 -2.752 -4.286 -0.784 1.00 0.00 C ATOM 941 CG ARG A 60 -3.962 -3.426 -0.798 1.00 0.00 C ATOM 942 CD ARG A 60 -4.096 -2.794 -2.172 1.00 0.00 C ATOM 943 NE ARG A 60 -4.220 -3.820 -3.254 1.00 0.00 N ATOM 944 CZ ARG A 60 -5.335 -4.434 -3.687 1.00 0.00 C ATOM 945 NH1 ARG A 60 -6.474 -4.331 -3.041 1.00 0.00 N ATOM 946 NH2 ARG A 60 -5.272 -5.219 -4.753 1.00 0.00 N ATOM 0 H ARG A 60 -1.179 -5.888 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.139 -4.345 1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.897 -3.668 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.865 -5.037 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.848 -4.017 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.885 -2.653 -0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.971 -2.144 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.228 -2.165 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.353 -4.086 -3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.528 -3.774 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.305 -4.808 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.384 -5.352 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.112 -5.690 -5.090 1.00 0.00 H new ATOM 960 N LYS A 61 -4.219 -5.335 2.111 1.00 0.00 N ATOM 961 CA LYS A 61 -5.445 -5.895 2.681 1.00 0.00 C ATOM 962 C LYS A 61 -6.654 -5.089 2.249 1.00 0.00 C ATOM 963 O LYS A 61 -6.543 -3.892 2.030 1.00 0.00 O ATOM 964 CB LYS A 61 -5.338 -6.011 4.184 1.00 0.00 C ATOM 965 CG LYS A 61 -6.245 -7.038 4.835 1.00 0.00 C ATOM 966 CD LYS A 61 -7.692 -6.582 4.913 1.00 0.00 C ATOM 967 CE LYS A 61 -8.559 -7.631 5.540 1.00 0.00 C ATOM 968 NZ LYS A 61 -9.984 -7.204 5.663 1.00 0.00 N ATOM 0 H LYS A 61 -3.842 -4.556 2.651 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.579 -6.905 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.306 -6.253 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.553 -5.036 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.193 -7.970 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.882 -7.251 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.755 -5.661 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.059 -6.354 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.507 -8.542 4.944 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.170 -7.874 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.210 -7.032 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.133 -6.330 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.604 -7.952 5.292 1.00 0.00 H new ATOM 982 N SER A 62 -7.761 -5.757 2.035 1.00 0.00 N ATOM 983 CA SER A 62 -8.978 -5.092 1.613 1.00 0.00 C ATOM 984 C SER A 62 -9.545 -4.170 2.719 1.00 0.00 C ATOM 985 O SER A 62 -9.588 -4.523 3.892 1.00 0.00 O ATOM 986 CB SER A 62 -10.013 -6.145 1.215 1.00 0.00 C ATOM 987 OG SER A 62 -9.557 -6.895 0.103 1.00 0.00 O ATOM 0 H SER A 62 -7.848 -6.767 2.146 1.00 0.00 H new ATOM 0 HA SER A 62 -8.744 -4.459 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.204 -6.811 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.958 -5.660 0.971 1.00 0.00 H new ATOM 0 HG SER A 62 -10.230 -7.565 -0.138 1.00 0.00 H new ATOM 993 N CYS A 63 -10.049 -3.029 2.280 1.00 0.00 N ATOM 994 CA CYS A 63 -10.551 -1.957 3.131 1.00 0.00 C ATOM 995 C CYS A 63 -12.072 -2.087 3.280 1.00 0.00 C ATOM 996 O CYS A 63 -12.675 -2.982 2.696 1.00 0.00 O ATOM 997 CB CYS A 63 -10.150 -0.615 2.514 1.00 0.00 C ATOM 998 SG CYS A 63 -8.350 -0.225 2.559 1.00 0.00 S ATOM 0 H CYS A 63 -10.124 -2.813 1.286 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.119 -2.021 4.130 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.481 -0.599 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.689 0.178 3.032 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.678 -1.236 4.087 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.091 -1.410 4.475 1.00 0.00 C ATOM 1005 C ARG A 64 -14.852 -0.081 4.532 1.00 0.00 C ATOM 1006 O ARG A 64 -14.274 0.936 4.725 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.084 -2.034 5.861 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.482 -1.132 6.934 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.460 -1.821 8.265 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.924 -0.985 9.352 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.622 -0.910 9.705 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.670 -1.455 8.926 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.263 -0.270 10.818 1.00 0.00 N ATOM 0 H ARG A 64 -12.227 -0.416 4.493 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.594 -2.031 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.107 -2.286 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.523 -2.968 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.468 -0.850 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.061 -0.211 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.473 -2.130 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.860 -2.728 8.186 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.588 -0.418 9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.929 -1.930 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.690 -1.394 9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.973 0.166 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.279 -0.216 11.080 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.171 -0.103 4.346 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.930 1.129 4.519 1.00 0.00 C ATOM 1029 C ASN A 65 -18.221 0.994 5.408 1.00 0.00 C ATOM 1030 O ASN A 65 -19.118 1.839 5.312 1.00 0.00 O ATOM 1031 CB ASN A 65 -17.278 1.758 3.164 1.00 0.00 C ATOM 1032 CG ASN A 65 -17.524 3.247 3.263 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.697 3.935 4.025 1.00 0.00 O flip ATOM 1034 ND2 ASN A 65 -18.421 3.779 2.626 1.00 0.00 N flip ATOM 0 H ASN A 65 -16.716 -0.925 4.086 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.263 1.789 5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.465 1.573 2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.166 1.272 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.041 3.212 2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.550 4.790 2.673 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.363 -0.046 6.315 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.523 -0.120 7.225 1.00 0.00 C ATOM 1043 C PRO A 66 -19.569 0.950 8.383 1.00 0.00 C ATOM 1044 O PRO A 66 -20.584 1.040 9.058 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.432 -1.547 7.825 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.467 -2.269 6.936 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.491 -1.235 6.502 1.00 0.00 C ATOM 0 HA PRO A 66 -20.432 0.094 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.079 -1.522 8.856 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.406 -2.036 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.971 -3.080 7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.976 -2.714 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.720 -1.061 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.981 -1.516 5.580 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.463 1.753 8.672 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.524 2.792 9.721 1.00 0.00 C ATOM 1057 C PRO A 67 -19.591 3.842 9.439 1.00 0.00 C ATOM 1058 O PRO A 67 -20.188 4.356 10.369 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.149 3.507 9.608 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.457 2.894 8.421 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.085 1.575 8.188 1.00 0.00 C ATOM 0 HA PRO A 67 -18.750 2.345 10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.278 4.581 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.562 3.369 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.561 3.531 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.389 2.785 8.611 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.064 1.302 7.133 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.569 0.784 8.732 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.851 4.074 8.138 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.861 5.037 7.564 1.00 0.00 C ATOM 1071 C ASP A 68 -21.000 6.407 8.272 1.00 0.00 C ATOM 1072 O ASP A 68 -20.782 6.566 9.460 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.261 4.398 7.322 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.046 4.090 8.602 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.523 5.041 9.265 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.280 2.895 8.879 1.00 0.00 O ATOM 0 H ASP A 68 -19.345 3.577 7.405 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.410 5.268 6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.852 5.071 6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.133 3.474 6.758 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.310 7.442 7.489 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.631 8.767 8.004 1.00 0.00 C ATOM 1083 C PRO A 69 -22.971 8.761 8.729 1.00 0.00 C ATOM 1084 O PRO A 69 -23.886 8.014 8.349 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.676 9.622 6.735 1.00 0.00 C ATOM 1086 CG PRO A 69 -22.136 8.666 5.719 1.00 0.00 C ATOM 1087 CD PRO A 69 -21.416 7.406 6.024 1.00 0.00 C ATOM 0 HA PRO A 69 -20.915 9.136 8.739 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.360 10.464 6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.697 10.035 6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -23.216 8.526 5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -21.907 9.018 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.967 6.531 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.436 7.374 5.548 1.00 0.00 H new ATOM 1095 N VAL A 70 -23.103 9.630 9.711 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.330 9.718 10.495 1.00 0.00 C ATOM 1097 C VAL A 70 -25.505 10.139 9.602 1.00 0.00 C ATOM 1098 O VAL A 70 -26.600 9.579 9.691 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.147 10.724 11.637 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.449 10.956 12.372 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -23.060 10.218 12.610 1.00 0.00 C ATOM 0 H VAL A 70 -22.376 10.289 9.990 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.550 8.737 10.917 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.831 11.676 11.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.290 11.674 13.177 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.193 11.347 11.679 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.803 10.014 12.791 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.934 10.936 13.420 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.361 9.255 13.023 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.117 10.105 12.075 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.260 11.147 8.769 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.236 11.614 7.792 1.00 0.00 C ATOM 1113 C ASN A 71 -26.536 10.520 6.766 1.00 0.00 C ATOM 1114 O ASN A 71 -27.689 10.314 6.354 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.732 12.886 7.079 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.702 13.379 6.007 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.685 12.925 4.865 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -27.542 14.349 6.377 1.00 0.00 N ATOM 0 H ASN A 71 -24.380 11.662 8.753 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.156 11.857 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.578 13.675 7.816 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.763 12.683 6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.200 14.739 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -27.526 14.700 7.335 1.00 0.00 H new ATOM 1125 N GLY A 72 -25.501 9.811 6.357 1.00 0.00 N ATOM 1126 CA GLY A 72 -25.663 8.755 5.366 1.00 0.00 C ATOM 1127 C GLY A 72 -24.945 9.097 4.097 1.00 0.00 C ATOM 1128 O GLY A 72 -25.007 8.361 3.114 1.00 0.00 O ATOM 0 H GLY A 72 -24.546 9.942 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -25.279 7.816 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -26.723 8.604 5.160 1.00 0.00 H new ATOM 1132 N MET A 73 -24.278 10.221 4.120 1.00 0.00 N ATOM 1133 CA MET A 73 -23.545 10.725 2.987 1.00 0.00 C ATOM 1134 C MET A 73 -22.007 10.621 3.122 1.00 0.00 C ATOM 1135 O MET A 73 -21.383 11.332 3.902 1.00 0.00 O ATOM 1136 CB MET A 73 -24.025 12.151 2.704 1.00 0.00 C ATOM 1137 CG MET A 73 -23.290 12.882 1.635 1.00 0.00 C ATOM 1138 SD MET A 73 -24.064 14.441 1.195 1.00 0.00 S ATOM 1139 CE MET A 73 -23.799 15.418 2.672 1.00 0.00 C ATOM 0 H MET A 73 -24.228 10.823 4.942 1.00 0.00 H new ATOM 0 HA MET A 73 -23.758 10.086 2.130 1.00 0.00 H new ATOM 0 HB2 MET A 73 -25.080 12.112 2.432 1.00 0.00 H new ATOM 0 HB3 MET A 73 -23.955 12.728 3.626 1.00 0.00 H new ATOM 0 HG2 MET A 73 -22.269 13.070 1.967 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.226 12.251 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.292 16.384 2.562 1.00 0.00 H new ATOM 0 HE2 MET A 73 -24.214 14.895 3.534 1.00 0.00 H new ATOM 0 HE3 MET A 73 -22.730 15.570 2.820 1.00 0.00 H new ATOM 1149 N VAL A 74 -21.439 9.712 2.335 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.992 9.515 2.214 1.00 0.00 C ATOM 1151 C VAL A 74 -19.645 9.390 0.717 1.00 0.00 C ATOM 1152 O VAL A 74 -20.414 8.798 -0.053 1.00 0.00 O ATOM 1153 CB VAL A 74 -19.485 8.241 2.970 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -20.306 7.044 2.576 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.010 7.976 2.684 1.00 0.00 C ATOM 0 H VAL A 74 -21.981 9.076 1.750 1.00 0.00 H new ATOM 0 HA VAL A 74 -19.498 10.372 2.671 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.596 8.420 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.945 6.164 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -21.351 7.219 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -20.218 6.880 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.689 7.085 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.869 7.823 1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.417 8.831 3.010 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.545 9.982 0.301 1.00 0.00 N ATOM 1166 CA HIS A 75 -18.175 9.955 -1.109 1.00 0.00 C ATOM 1167 C HIS A 75 -16.879 9.187 -1.299 1.00 0.00 C ATOM 1168 O HIS A 75 -15.959 9.338 -0.511 1.00 0.00 O ATOM 1169 CB HIS A 75 -18.046 11.379 -1.643 1.00 0.00 C ATOM 1170 CG HIS A 75 -19.338 12.169 -1.648 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.391 13.531 -1.873 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -20.623 11.786 -1.421 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.626 13.947 -1.785 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -21.402 12.919 -1.514 1.00 0.00 N ATOM 0 H HIS A 75 -17.895 10.483 0.906 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.957 9.445 -1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -17.311 11.914 -1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.656 11.338 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -20.967 10.785 -1.208 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.956 14.967 -1.914 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -22.414 12.955 -1.393 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.791 8.392 -2.352 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.615 7.567 -2.598 1.00 0.00 C ATOM 1184 C VAL A 76 -14.708 8.174 -3.719 1.00 0.00 C ATOM 1185 O VAL A 76 -14.916 7.949 -4.907 1.00 0.00 O ATOM 1186 CB VAL A 76 -16.079 6.118 -2.936 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -17.021 6.063 -4.128 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.918 5.194 -3.131 1.00 0.00 C ATOM 0 H VAL A 76 -17.524 8.299 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.998 7.538 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.643 5.775 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.310 5.029 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.911 6.656 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.518 6.465 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.284 4.194 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.299 5.555 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.324 5.159 -2.218 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.705 9.001 -3.299 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.816 9.733 -4.257 1.00 0.00 C ATOM 1200 C ILE A 77 -11.980 8.788 -5.134 1.00 0.00 C ATOM 1201 O ILE A 77 -11.891 8.936 -6.355 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.755 10.511 -3.461 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -12.361 11.460 -2.460 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.843 11.293 -4.410 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -11.312 11.997 -1.520 1.00 0.00 C ATOM 0 H ILE A 77 -13.493 9.177 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.478 10.351 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.176 9.771 -2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.843 12.286 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.136 10.947 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.098 11.838 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.342 10.600 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.439 11.998 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.776 12.679 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.849 11.170 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.551 12.530 -2.090 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.358 7.842 -4.465 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.426 6.917 -5.086 1.00 0.00 C ATOM 1219 C LYS A 78 -11.004 5.546 -5.084 1.00 0.00 C ATOM 1220 O LYS A 78 -10.909 4.785 -6.063 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.145 6.905 -4.288 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.440 8.257 -4.230 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.966 8.695 -5.611 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.275 10.048 -5.551 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.771 10.488 -6.877 1.00 0.00 N ATOM 0 H LYS A 78 -11.484 7.689 -3.464 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.232 7.230 -6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.364 6.577 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.466 6.170 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.119 9.006 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.588 8.196 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.280 7.951 -6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.817 8.748 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.972 10.792 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.443 9.997 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.309 11.415 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.085 9.794 -7.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.566 10.564 -7.543 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.608 5.244 -3.979 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.126 3.986 -3.717 1.00 0.00 C ATOM 1241 C GLY A 79 -12.101 3.758 -2.231 1.00 0.00 C ATOM 1242 O GLY A 79 -11.615 4.579 -1.471 1.00 0.00 O ATOM 0 H GLY A 79 -11.747 5.910 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.146 3.910 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.540 3.222 -4.227 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.723 2.759 -1.846 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.645 2.246 -0.481 1.00 0.00 C ATOM 1248 C ILE A 80 -11.278 1.606 -0.120 1.00 0.00 C ATOM 1249 O ILE A 80 -10.884 1.612 1.022 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.812 1.248 -0.164 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.161 1.930 -0.350 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.689 0.643 1.227 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -15.355 3.115 0.585 1.00 0.00 C ATOM 0 H ILE A 80 -13.338 2.217 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.750 3.128 0.151 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.739 0.423 -0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.253 2.268 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.957 1.205 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.519 -0.041 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.748 0.099 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.712 1.438 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -16.333 3.562 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -15.293 2.776 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -14.578 3.857 0.398 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.572 1.122 -1.112 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.398 0.260 -0.917 1.00 0.00 C ATOM 1267 C GLN A 81 -8.153 1.016 -0.367 1.00 0.00 C ATOM 1268 O GLN A 81 -8.206 2.192 -0.069 1.00 0.00 O ATOM 1269 CB GLN A 81 -9.097 -0.464 -2.236 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.951 -1.452 -2.195 1.00 0.00 C ATOM 1271 CD GLN A 81 -8.230 -2.587 -1.236 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -7.214 -2.993 -0.520 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -9.348 -3.041 -1.107 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.786 1.308 -2.092 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.637 -0.468 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.996 -0.992 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.881 0.284 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.779 -1.853 -3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.037 -0.938 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.110 -2.693 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.526 -3.771 -0.417 1.00 0.00 H new ATOM 1282 N PHE A 82 -7.048 0.275 -0.201 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.809 0.832 0.280 1.00 0.00 C ATOM 1284 C PHE A 82 -5.240 1.876 -0.652 1.00 0.00 C ATOM 1285 O PHE A 82 -5.128 1.673 -1.854 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.791 -0.301 0.529 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.397 0.195 0.795 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.135 1.039 1.853 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.370 -0.177 -0.040 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.858 1.519 2.065 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.085 0.290 0.166 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.828 1.145 1.221 1.00 0.00 C ATOM 0 H PHE A 82 -7.004 -0.724 -0.401 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.019 1.343 1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.124 -0.898 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.774 -0.961 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.934 1.327 2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.569 -0.842 -0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.663 2.187 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.286 -0.012 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.172 1.519 1.386 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.906 3.003 -0.058 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.372 4.145 -0.764 1.00 0.00 C ATOM 1304 C GLY A 83 -5.476 5.025 -1.264 1.00 0.00 C ATOM 1305 O GLY A 83 -5.229 6.096 -1.823 1.00 0.00 O ATOM 0 H GLY A 83 -5.000 3.152 0.947 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.718 4.714 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.762 3.808 -1.602 1.00 0.00 H new ATOM 1309 N SER A 84 -6.690 4.568 -1.074 1.00 0.00 N ATOM 1310 CA SER A 84 -7.862 5.280 -1.475 1.00 0.00 C ATOM 1311 C SER A 84 -8.333 6.244 -0.376 1.00 0.00 C ATOM 1312 O SER A 84 -7.909 6.162 0.768 1.00 0.00 O ATOM 1313 CB SER A 84 -8.922 4.312 -1.840 1.00 0.00 C ATOM 1314 OG SER A 84 -8.509 3.491 -2.929 1.00 0.00 O ATOM 0 H SER A 84 -6.886 3.672 -0.627 1.00 0.00 H new ATOM 0 HA SER A 84 -7.627 5.890 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.162 3.688 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.832 4.848 -2.108 1.00 0.00 H new ATOM 0 HG SER A 84 -9.224 2.859 -3.151 1.00 0.00 H new ATOM 1320 N GLN A 85 -9.248 7.169 -0.751 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.719 8.153 0.196 1.00 0.00 C ATOM 1322 C GLN A 85 -11.197 8.471 -0.052 1.00 0.00 C ATOM 1323 O GLN A 85 -11.682 8.391 -1.197 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.861 9.408 0.101 1.00 0.00 C ATOM 1325 CG GLN A 85 -9.227 10.489 1.105 1.00 0.00 C ATOM 1326 CD GLN A 85 -8.348 11.715 0.967 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -8.377 12.408 -0.057 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.503 11.965 1.953 1.00 0.00 N ATOM 0 H GLN A 85 -9.654 7.238 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.632 7.751 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.816 9.132 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.947 9.818 -0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.270 10.774 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.137 10.090 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.502 11.376 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.852 12.747 1.881 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.898 8.814 1.006 1.00 0.00 N ATOM 1338 CA ILE A 86 -13.335 9.079 0.975 1.00 0.00 C ATOM 1339 C ILE A 86 -13.711 10.372 1.701 1.00 0.00 C ATOM 1340 O ILE A 86 -12.916 10.897 2.454 1.00 0.00 O ATOM 1341 CB ILE A 86 -14.134 7.895 1.560 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.720 7.668 3.015 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.932 6.645 0.729 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -14.540 6.616 3.694 1.00 0.00 C ATOM 0 H ILE A 86 -11.486 8.921 1.933 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.599 9.203 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.197 8.133 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.669 7.381 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.812 8.605 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.505 5.824 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.271 6.827 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.874 6.383 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -14.201 6.498 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -15.589 6.913 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -14.428 5.670 3.165 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.918 10.869 1.448 1.00 0.00 N ATOM 1357 CA LYS A 87 -15.422 12.037 2.166 1.00 0.00 C ATOM 1358 C LYS A 87 -16.552 11.680 3.056 1.00 0.00 C ATOM 1359 O LYS A 87 -17.433 10.915 2.690 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.941 13.104 1.206 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.941 14.137 0.754 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.728 13.532 0.132 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.855 14.603 -0.456 1.00 0.00 C ATOM 1364 NZ LYS A 87 -12.283 15.521 0.583 1.00 0.00 N ATOM 0 H LYS A 87 -15.562 10.485 0.756 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.580 12.417 2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.341 12.605 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.773 13.620 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.416 14.807 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.642 14.745 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.170 12.968 0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.023 12.826 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.041 14.138 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.435 15.187 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.676 16.476 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.528 15.168 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.248 15.556 0.483 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.512 12.263 4.199 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.552 12.202 5.136 1.00 0.00 C ATOM 1380 C TYR A 88 -18.136 13.538 5.244 1.00 0.00 C ATOM 1381 O TYR A 88 -17.646 14.386 5.963 1.00 0.00 O ATOM 1382 CB TYR A 88 -17.068 11.680 6.489 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.892 10.198 6.508 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.990 9.369 6.491 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -15.623 9.623 6.511 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.865 7.995 6.492 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -15.491 8.243 6.512 1.00 0.00 C ATOM 1388 CZ TYR A 88 -16.623 7.438 6.504 1.00 0.00 C ATOM 1389 OH TYR A 88 -16.503 6.062 6.528 1.00 0.00 O ATOM 0 H TYR A 88 -15.715 12.817 4.512 1.00 0.00 H new ATOM 0 HA TYR A 88 -18.310 11.494 4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -16.120 12.157 6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.783 11.966 7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.977 9.806 6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.744 10.251 6.513 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.744 7.367 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.509 7.794 6.519 1.00 0.00 H new ATOM 0 HH TYR A 88 -15.854 5.802 7.215 1.00 0.00 H new ATOM 1399 N SER A 89 -19.156 13.763 4.485 1.00 0.00 N ATOM 1400 CA SER A 89 -19.829 15.011 4.508 1.00 0.00 C ATOM 1401 C SER A 89 -21.193 14.819 5.152 1.00 0.00 C ATOM 1402 O SER A 89 -22.004 14.034 4.674 1.00 0.00 O ATOM 1403 CB SER A 89 -19.997 15.513 3.071 1.00 0.00 C ATOM 1404 OG SER A 89 -18.725 15.634 2.430 1.00 0.00 O ATOM 0 H SER A 89 -19.544 13.083 3.831 1.00 0.00 H new ATOM 0 HA SER A 89 -19.256 15.741 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.629 14.824 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.503 16.479 3.074 1.00 0.00 H new ATOM 0 HG SER A 89 -18.850 15.954 1.512 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.410 15.487 6.243 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.691 15.411 6.926 1.00 0.00 C ATOM 1412 C CYS A 90 -23.700 16.332 6.237 1.00 0.00 C ATOM 1413 O CYS A 90 -24.889 16.042 6.149 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.522 15.917 8.357 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.170 15.164 9.304 1.00 0.00 S ATOM 0 H CYS A 90 -20.724 16.095 6.690 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.039 14.378 6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.362 16.995 8.325 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.455 15.749 8.895 1.00 0.00 H new ATOM 1420 N THR A 91 -23.198 17.469 5.821 1.00 0.00 N ATOM 1421 CA THR A 91 -23.979 18.547 5.226 1.00 0.00 C ATOM 1422 C THR A 91 -23.055 19.347 4.274 1.00 0.00 C ATOM 1423 O THR A 91 -21.861 19.195 4.365 1.00 0.00 O ATOM 1424 CB THR A 91 -24.440 19.437 6.413 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.346 18.699 7.286 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.081 20.715 5.973 1.00 0.00 C ATOM 0 H THR A 91 -22.203 17.685 5.886 1.00 0.00 H new ATOM 0 HA THR A 91 -24.835 18.188 4.655 1.00 0.00 H new ATOM 0 HB THR A 91 -23.538 19.706 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.625 19.274 8.029 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.381 21.292 6.848 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.371 21.294 5.383 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.959 20.492 5.367 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.559 20.104 3.322 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.685 21.024 2.635 1.00 0.00 C ATOM 1436 C LYS A 92 -22.113 22.140 3.554 1.00 0.00 C ATOM 1437 O LYS A 92 -20.913 22.396 3.559 1.00 0.00 O ATOM 1438 CB LYS A 92 -23.284 21.591 1.376 1.00 0.00 C ATOM 1439 CG LYS A 92 -22.350 22.531 0.698 1.00 0.00 C ATOM 1440 CD LYS A 92 -21.095 21.810 0.260 1.00 0.00 C ATOM 1441 CE LYS A 92 -20.139 22.764 -0.362 1.00 0.00 C ATOM 1442 NZ LYS A 92 -18.857 22.097 -0.725 1.00 0.00 N ATOM 0 H LYS A 92 -24.532 20.102 3.016 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.836 20.414 2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -23.540 20.778 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.212 22.110 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -22.840 22.978 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -22.091 23.346 1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.629 21.325 1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.349 21.024 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.588 23.200 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.941 23.584 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.214 22.792 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.417 21.702 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -19.044 21.331 -1.403 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.990 22.758 4.356 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.559 23.837 5.229 1.00 0.00 C ATOM 1458 C GLY A 93 -22.494 23.426 6.666 1.00 0.00 C ATOM 1459 O GLY A 93 -23.393 23.712 7.446 1.00 0.00 O ATOM 0 H GLY A 93 -23.982 22.529 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.577 24.186 4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.245 24.678 5.127 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.449 22.732 7.008 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.228 22.227 8.344 1.00 0.00 C ATOM 1465 C TYR A 94 -19.720 21.991 8.448 1.00 0.00 C ATOM 1466 O TYR A 94 -19.013 22.129 7.459 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.947 20.922 8.549 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.153 19.750 8.114 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.800 19.570 6.808 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.678 18.880 9.047 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.996 18.511 6.437 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.877 17.836 8.699 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.549 17.656 7.392 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.762 16.592 7.038 1.00 0.00 O ATOM 0 H TYR A 94 -20.704 22.492 6.354 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.597 22.927 9.094 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.197 20.813 9.604 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.888 20.941 7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.153 20.262 6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.942 19.021 10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.726 18.365 5.401 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.506 17.158 9.453 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.886 16.917 6.741 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.230 21.648 9.615 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.809 21.347 9.715 1.00 0.00 C ATOM 1486 C ARG A 95 -17.654 19.951 10.256 1.00 0.00 C ATOM 1487 O ARG A 95 -18.443 19.529 11.093 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.183 22.302 10.697 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.318 23.696 10.248 1.00 0.00 C ATOM 1490 CD ARG A 95 -16.704 24.713 11.190 1.00 0.00 C ATOM 1491 NE ARG A 95 -16.939 26.050 10.668 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.112 26.702 9.838 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -14.911 26.211 9.563 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -16.497 27.845 9.300 1.00 0.00 N ATOM 0 H ARG A 95 -19.763 21.570 10.481 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.335 21.437 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -17.655 22.185 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.128 22.059 10.822 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.852 23.797 9.268 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.376 23.925 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.140 24.616 12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -15.634 24.532 11.292 1.00 0.00 H new ATOM 0 HE ARG A 95 -17.795 26.526 10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.611 25.332 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.287 26.713 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.418 28.226 9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.873 28.347 8.668 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.730 19.199 9.771 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.494 17.946 10.422 1.00 0.00 C ATOM 1510 C LEU A 96 -15.154 18.059 11.111 1.00 0.00 C ATOM 1511 O LEU A 96 -14.126 18.295 10.474 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.519 16.824 9.375 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.587 15.402 9.928 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.271 14.491 8.945 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.218 14.870 10.264 1.00 0.00 C ATOM 0 H LEU A 96 -16.145 19.409 8.962 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.260 17.708 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.377 16.981 8.722 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.626 16.911 8.755 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.167 15.434 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.312 13.481 9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.284 14.849 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.713 14.482 8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.307 13.856 10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.601 14.860 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.754 15.509 11.016 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.192 17.920 12.423 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.042 18.183 13.263 1.00 0.00 C ATOM 1529 C ILE A 97 -12.874 17.196 13.036 1.00 0.00 C ATOM 1530 O ILE A 97 -11.711 17.602 12.959 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.429 18.261 14.770 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -15.583 19.292 14.949 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.225 18.657 15.626 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.263 20.692 14.465 1.00 0.00 C ATOM 0 H ILE A 97 -16.022 17.621 12.935 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.677 19.163 12.957 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.762 17.277 15.101 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.461 18.930 14.415 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -15.849 19.339 16.005 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.523 18.704 16.673 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.434 17.916 15.507 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.858 19.633 15.309 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -16.124 21.340 14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -14.406 21.080 15.016 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.028 20.664 13.401 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.217 15.907 12.941 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.194 14.877 12.772 1.00 0.00 C ATOM 1548 C GLY A 98 -11.890 14.561 11.327 1.00 0.00 C ATOM 1549 O GLY A 98 -11.613 15.462 10.551 1.00 0.00 O ATOM 0 H GLY A 98 -14.175 15.560 12.978 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.278 15.202 13.265 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.520 13.966 13.274 1.00 0.00 H new ATOM 1553 N SER A 99 -11.918 13.275 10.972 1.00 0.00 N ATOM 1554 CA SER A 99 -11.535 12.882 9.632 1.00 0.00 C ATOM 1555 C SER A 99 -12.718 12.978 8.668 1.00 0.00 C ATOM 1556 O SER A 99 -13.518 12.061 8.540 1.00 0.00 O ATOM 1557 CB SER A 99 -10.987 11.447 9.635 1.00 0.00 C ATOM 1558 OG SER A 99 -10.517 11.061 8.373 1.00 0.00 O ATOM 0 H SER A 99 -12.197 12.509 11.585 1.00 0.00 H new ATOM 0 HA SER A 99 -10.757 13.567 9.293 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.179 11.369 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.771 10.761 9.955 1.00 0.00 H new ATOM 0 HG SER A 99 -9.804 10.397 8.478 1.00 0.00 H new ATOM 1564 N SER A 100 -12.828 14.134 8.038 1.00 0.00 N ATOM 1565 CA SER A 100 -13.752 14.368 6.951 1.00 0.00 C ATOM 1566 C SER A 100 -13.399 13.434 5.832 1.00 0.00 C ATOM 1567 O SER A 100 -14.248 12.897 5.170 1.00 0.00 O ATOM 1568 CB SER A 100 -13.661 15.806 6.486 1.00 0.00 C ATOM 1569 OG SER A 100 -13.841 16.700 7.563 1.00 0.00 O ATOM 0 H SER A 100 -12.265 14.951 8.275 1.00 0.00 H new ATOM 0 HA SER A 100 -14.775 14.187 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.690 15.981 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.417 15.993 5.723 1.00 0.00 H new ATOM 0 HG SER A 100 -13.776 17.622 7.237 1.00 0.00 H new ATOM 1575 N SER A 101 -12.117 13.292 5.586 1.00 0.00 N ATOM 1576 CA SER A 101 -11.662 12.434 4.547 1.00 0.00 C ATOM 1577 C SER A 101 -10.822 11.312 5.092 1.00 0.00 C ATOM 1578 O SER A 101 -9.613 11.477 5.334 1.00 0.00 O ATOM 1579 CB SER A 101 -10.903 13.233 3.486 1.00 0.00 C ATOM 1580 OG SER A 101 -10.091 14.233 4.075 1.00 0.00 O ATOM 0 H SER A 101 -11.377 13.768 6.101 1.00 0.00 H new ATOM 0 HA SER A 101 -12.534 11.984 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.282 12.559 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.613 13.696 2.800 1.00 0.00 H new ATOM 0 HG SER A 101 -9.617 14.726 3.373 1.00 0.00 H new ATOM 1586 N ALA A 102 -11.458 10.172 5.267 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.785 8.991 5.752 1.00 0.00 C ATOM 1588 C ALA A 102 -9.863 8.454 4.673 1.00 0.00 C ATOM 1589 O ALA A 102 -10.189 8.469 3.483 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.805 7.946 6.159 1.00 0.00 C ATOM 0 H ALA A 102 -12.452 10.041 5.077 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.187 9.244 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.290 7.057 6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.441 8.347 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.418 7.682 5.298 1.00 0.00 H new ATOM 1596 N THR A 103 -8.707 7.988 5.081 1.00 0.00 N ATOM 1597 CA THR A 103 -7.765 7.395 4.177 1.00 0.00 C ATOM 1598 C THR A 103 -7.395 5.990 4.667 1.00 0.00 C ATOM 1599 O THR A 103 -7.053 5.812 5.833 1.00 0.00 O ATOM 1600 CB THR A 103 -6.512 8.293 4.055 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.933 9.609 3.631 1.00 0.00 O ATOM 1602 CG2 THR A 103 -5.534 7.724 3.047 1.00 0.00 C ATOM 0 H THR A 103 -8.397 8.012 6.053 1.00 0.00 H new ATOM 0 HA THR A 103 -8.213 7.306 3.187 1.00 0.00 H new ATOM 0 HB THR A 103 -6.011 8.343 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.147 10.139 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.662 8.374 2.980 1.00 0.00 H new ATOM 0 HG22 THR A 103 -5.222 6.729 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.014 7.659 2.071 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.500 4.983 3.798 1.00 0.00 N ATOM 1611 CA CYS A 104 -7.183 3.606 4.205 1.00 0.00 C ATOM 1612 C CYS A 104 -5.711 3.259 3.947 1.00 0.00 C ATOM 1613 O CYS A 104 -5.220 3.338 2.815 1.00 0.00 O ATOM 1614 CB CYS A 104 -8.189 2.609 3.571 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.169 0.886 4.247 1.00 0.00 S ATOM 0 H CYS A 104 -7.795 5.087 2.827 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.304 3.520 5.285 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -9.194 3.013 3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.993 2.559 2.500 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.015 2.908 5.026 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.596 2.588 4.984 1.00 0.00 C ATOM 1622 C ILE A 105 -3.314 1.249 5.655 1.00 0.00 C ATOM 1623 O ILE A 105 -4.138 0.753 6.425 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.717 3.701 5.616 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.054 3.921 7.097 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.832 4.998 4.809 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.243 4.840 7.357 1.00 0.00 C ATOM 0 H ILE A 105 -5.425 2.838 5.957 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.327 2.518 3.930 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.679 3.371 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.255 2.953 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.178 4.335 7.596 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.210 5.767 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.498 4.821 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.870 5.330 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.403 4.933 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.042 5.824 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.135 4.420 6.893 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.141 0.648 5.359 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.820 -0.687 5.895 1.00 0.00 C ATOM 1641 C ILE A 106 -1.280 -0.564 7.334 1.00 0.00 C ATOM 1642 O ILE A 106 -0.318 0.168 7.577 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.679 -1.363 5.065 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.947 -1.362 3.545 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -0.456 -2.784 5.535 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.180 -2.093 3.139 1.00 0.00 C ATOM 0 H ILE A 106 -1.418 1.056 4.766 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.736 -1.276 5.853 1.00 0.00 H new ATOM 0 HB ILE A 106 0.215 -0.764 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.021 -0.330 3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.091 -1.807 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.341 -3.241 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.174 -2.779 6.588 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.374 -3.357 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.293 -2.043 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.103 -3.135 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.047 -1.636 3.615 1.00 0.00 H new ATOM 1658 N SER A 107 -1.894 -1.271 8.294 1.00 0.00 N ATOM 1659 CA SER A 107 -1.332 -1.357 9.638 1.00 0.00 C ATOM 1660 C SER A 107 -0.389 -2.560 9.777 1.00 0.00 C ATOM 1661 O SER A 107 0.371 -2.671 10.722 1.00 0.00 O ATOM 1662 CB SER A 107 -2.424 -1.408 10.686 1.00 0.00 C ATOM 1663 OG SER A 107 -3.245 -2.549 10.519 1.00 0.00 O ATOM 0 H SER A 107 -2.767 -1.782 8.163 1.00 0.00 H new ATOM 0 HA SER A 107 -0.746 -0.453 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.977 -1.422 11.680 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.034 -0.507 10.623 1.00 0.00 H new ATOM 0 HG SER A 107 -3.429 -2.683 9.566 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.468 -3.447 8.795 1.00 0.00 N ATOM 1670 CA GLY A 108 0.320 -4.651 8.787 1.00 0.00 C ATOM 1671 C GLY A 108 -0.514 -5.879 8.432 1.00 0.00 C ATOM 1672 O GLY A 108 -0.404 -6.404 7.344 1.00 0.00 O ATOM 0 H GLY A 108 -1.082 -3.344 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.134 -4.546 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.775 -4.793 9.767 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.348 -6.321 9.349 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.217 -7.457 9.093 1.00 0.00 C ATOM 1678 C ASP A 109 -3.587 -7.014 8.647 1.00 0.00 C ATOM 1679 O ASP A 109 -4.437 -7.825 8.294 1.00 0.00 O ATOM 1680 CB ASP A 109 -2.331 -8.309 10.352 1.00 0.00 C ATOM 1681 CG ASP A 109 -2.784 -7.524 11.590 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.924 -6.276 11.523 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -2.994 -8.157 12.633 1.00 0.00 O ATOM 0 H ASP A 109 -1.445 -5.913 10.279 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.777 -8.046 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.036 -9.120 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.364 -8.768 10.558 1.00 0.00 H new ATOM 1688 N THR A 110 -3.801 -5.734 8.644 1.00 0.00 N ATOM 1689 CA THR A 110 -5.071 -5.195 8.251 1.00 0.00 C ATOM 1690 C THR A 110 -4.927 -3.769 7.733 1.00 0.00 C ATOM 1691 O THR A 110 -3.865 -3.154 7.841 1.00 0.00 O ATOM 1692 CB THR A 110 -6.133 -5.317 9.393 1.00 0.00 C ATOM 1693 OG1 THR A 110 -7.447 -4.933 8.885 1.00 0.00 O ATOM 1694 CG2 THR A 110 -5.778 -4.451 10.603 1.00 0.00 C ATOM 0 H THR A 110 -3.107 -5.036 8.912 1.00 0.00 H new ATOM 0 HA THR A 110 -5.446 -5.796 7.423 1.00 0.00 H new ATOM 0 HB THR A 110 -6.146 -6.356 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.111 -5.012 9.602 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.543 -4.567 11.371 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.813 -4.762 11.002 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.725 -3.406 10.299 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.978 -3.267 7.139 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.000 -1.903 6.640 1.00 0.00 C ATOM 1704 C VAL A 111 -7.081 -1.130 7.319 1.00 0.00 C ATOM 1705 O VAL A 111 -8.213 -1.603 7.468 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.210 -1.838 5.131 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.026 -2.396 4.434 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.447 -2.587 4.746 1.00 0.00 C ATOM 0 H VAL A 111 -6.843 -3.784 6.984 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.025 -1.467 6.860 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.334 -0.797 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.182 -2.347 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.141 -1.817 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.884 -3.434 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.584 -2.532 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.349 -3.630 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.310 -2.145 5.244 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.730 0.036 7.781 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.666 0.834 8.483 1.00 0.00 C ATOM 1720 C ILE A 112 -7.740 2.202 7.883 1.00 0.00 C ATOM 1721 O ILE A 112 -6.839 2.640 7.174 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.341 1.001 9.998 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.024 1.792 10.212 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.287 -0.367 10.693 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -4.768 1.021 9.909 1.00 0.00 C ATOM 0 H ILE A 112 -5.802 0.446 7.679 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.614 0.304 8.396 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.144 1.581 10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.046 2.683 9.585 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.985 2.131 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.059 -0.229 11.750 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.251 -0.865 10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.512 -0.979 10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.900 1.655 10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.715 0.144 10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.778 0.705 8.866 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.805 2.865 8.179 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.005 4.236 7.797 1.00 0.00 C ATOM 1739 C TRP A 113 -8.443 5.096 8.920 1.00 0.00 C ATOM 1740 O TRP A 113 -8.460 4.680 10.077 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.492 4.541 7.664 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.173 3.841 6.541 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.948 2.737 6.638 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.179 4.223 5.166 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.417 2.400 5.427 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.972 3.293 4.497 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.592 5.246 4.437 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.207 3.358 3.110 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.814 5.317 3.071 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.618 4.382 2.427 1.00 0.00 C ATOM 0 H TRP A 113 -9.583 2.467 8.705 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.518 4.433 6.842 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.989 4.272 8.596 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.618 5.616 7.534 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.158 2.205 7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.016 1.598 5.231 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.969 5.979 4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.826 2.629 2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -10.356 6.110 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.780 4.469 1.363 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.949 6.246 8.580 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.349 7.145 9.562 1.00 0.00 C ATOM 1763 C ASP A 114 -8.442 7.876 10.331 1.00 0.00 C ATOM 1764 O ASP A 114 -8.175 8.682 11.223 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.410 8.159 8.898 1.00 0.00 C ATOM 1766 CG ASP A 114 -7.146 9.200 8.041 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -8.316 8.930 7.638 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -6.576 10.276 7.783 1.00 0.00 O ATOM 0 H ASP A 114 -7.942 6.602 7.624 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.757 6.542 10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.838 8.673 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.694 7.625 8.273 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.666 7.566 9.971 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.831 8.129 10.618 1.00 0.00 C ATOM 1775 C GLN A 115 -10.900 7.766 12.095 1.00 0.00 C ATOM 1776 O GLN A 115 -10.943 6.587 12.464 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.057 7.537 9.955 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.368 7.996 10.561 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.550 7.386 9.882 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.454 6.935 8.754 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -15.675 7.341 10.568 1.00 0.00 N ATOM 0 H GLN A 115 -9.884 6.913 9.218 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.778 9.214 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.047 7.798 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.001 6.450 10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.387 7.738 11.620 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.435 9.082 10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.714 7.730 11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.507 6.917 10.157 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.909 8.781 12.924 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.079 8.617 14.365 1.00 0.00 C ATOM 1792 C GLU A 116 -12.465 8.101 14.725 1.00 0.00 C ATOM 1793 O GLU A 116 -12.622 7.210 15.553 1.00 0.00 O ATOM 1794 CB GLU A 116 -10.862 9.952 15.064 1.00 0.00 C ATOM 1795 CG GLU A 116 -9.454 10.457 14.972 1.00 0.00 C ATOM 1796 CD GLU A 116 -8.473 9.547 15.673 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -8.718 9.228 16.864 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -7.484 9.158 15.058 1.00 0.00 O ATOM 0 H GLU A 116 -10.799 9.751 12.627 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.343 7.883 14.694 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.534 10.693 14.630 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.135 9.851 16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.172 10.553 13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.398 11.454 15.409 1.00 0.00 H new ATOM 1805 N THR A 117 -13.470 8.659 14.035 1.00 0.00 N ATOM 1806 CA THR A 117 -14.883 8.349 14.296 1.00 0.00 C ATOM 1807 C THR A 117 -15.738 9.411 13.587 1.00 0.00 C ATOM 1808 O THR A 117 -15.224 10.521 13.329 1.00 0.00 O ATOM 1809 CB THR A 117 -15.187 8.365 15.843 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.503 7.925 16.100 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.001 9.759 16.427 1.00 0.00 C ATOM 0 H THR A 117 -13.328 9.334 13.284 1.00 0.00 H new ATOM 0 HA THR A 117 -15.115 7.352 13.922 1.00 0.00 H new ATOM 0 HB THR A 117 -14.480 7.685 16.319 1.00 0.00 H new ATOM 0 HG1 THR A 117 -16.671 7.941 17.065 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.218 9.738 17.495 1.00 0.00 H new ATOM 0 HG22 THR A 117 -13.972 10.084 16.272 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.680 10.454 15.933 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.012 9.118 13.216 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.843 10.148 12.574 1.00 0.00 C ATOM 1821 C PRO A 118 -18.067 11.359 13.481 1.00 0.00 C ATOM 1822 O PRO A 118 -18.327 11.210 14.684 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.179 9.422 12.327 1.00 0.00 C ATOM 1824 CG PRO A 118 -18.846 7.964 12.404 1.00 0.00 C ATOM 1825 CD PRO A 118 -17.694 7.842 13.348 1.00 0.00 C ATOM 0 HA PRO A 118 -17.377 10.542 11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.922 9.697 13.075 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.595 9.681 11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.701 7.389 12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.585 7.573 11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.029 7.670 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.043 7.009 13.082 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.982 12.534 12.890 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.150 13.803 13.590 1.00 0.00 C ATOM 1835 C ILE A 119 -19.008 14.781 12.781 1.00 0.00 C ATOM 1836 O ILE A 119 -18.785 14.928 11.599 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.797 14.401 13.828 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.005 13.473 14.733 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.939 15.783 14.455 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.564 13.768 14.795 1.00 0.00 C ATOM 0 H ILE A 119 -17.791 12.641 11.894 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.660 13.616 14.535 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.268 14.516 12.882 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.418 13.528 15.740 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.139 12.448 14.388 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.950 16.209 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.503 16.431 13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.465 15.699 15.406 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.076 13.058 15.463 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.132 13.684 13.798 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.416 14.781 15.170 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.969 15.411 13.363 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.687 16.434 12.586 1.00 0.00 C ATOM 1854 C CYS A 120 -20.865 17.742 13.429 1.00 0.00 C ATOM 1855 O CYS A 120 -21.543 17.727 14.455 1.00 0.00 O ATOM 1856 CB CYS A 120 -22.070 15.902 12.118 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.007 14.421 11.002 1.00 0.00 S ATOM 0 H CYS A 120 -20.285 15.268 14.322 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.092 16.668 11.703 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.662 15.650 12.998 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.595 16.705 11.601 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.200 18.870 12.999 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.308 20.188 13.715 1.00 0.00 C ATOM 1864 C ASP A 121 -21.730 20.780 13.747 1.00 0.00 C ATOM 1865 O ASP A 121 -22.226 21.139 14.814 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.351 21.237 13.132 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.497 22.595 13.793 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -19.292 22.698 15.012 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.806 23.566 13.059 1.00 0.00 O ATOM 0 H ASP A 121 -19.596 18.891 12.177 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.028 19.953 14.742 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.324 20.890 13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.536 21.336 12.062 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.392 20.809 12.570 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.752 21.407 12.400 1.00 0.00 C ATOM 1876 C ARG A 122 -24.142 22.388 13.515 1.00 0.00 C ATOM 1877 O ARG A 122 -23.912 23.608 13.314 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.835 20.344 12.215 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.233 20.958 12.216 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.323 19.919 11.981 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.284 19.379 10.631 1.00 0.00 N ATOM 1882 CZ ARG A 122 -28.100 18.420 10.198 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -28.871 17.773 11.051 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -28.133 18.105 8.895 1.00 0.00 N ATOM 0 H ARG A 122 -22.008 20.422 11.708 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.684 21.990 11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.670 19.816 11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.761 19.606 13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.408 21.455 13.170 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.291 21.724 11.442 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.210 19.107 12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.298 20.371 12.162 1.00 0.00 H new ATOM 0 HE ARG A 122 -26.594 19.755 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -28.842 18.007 12.043 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -29.496 17.039 10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -27.533 18.600 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -28.758 17.370 8.564 1.00 0.00 H new TER 1898 ARG A 122