USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 967 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 116 SER OG : rot -178:sc= 1.25 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.775! C(o=0.47!,f=-2.3!) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0.656 USER MOD Set 2.2: A 98 ASN : amide:sc= 0.736 X(o=1.4,f=1.4) USER MOD Set 3.1: A 84 THR OG1 : rot -160:sc= 0.21 USER MOD Set 3.2: A 130 THR OG1 : rot -110:sc= 0.349 USER MOD Set 4.1: A 81 ASN : amide:sc= -4.08! C(o=-4.1!,f=-18!) USER MOD Set 4.2: A 83 SER OG : rot -93:sc= -0.0453 USER MOD Set 5.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 105 SER OG : rot 27:sc= 1.16 USER MOD Set 6.1: A 22 GLN : amide:sc= -2.79 K(o=-4.1,f=-0.18) USER MOD Set 6.2: A 62 ASN : amide:sc= -1.28! C(o=-4.1!,f=-5!) USER MOD Set 7.1: A 19 HIS : no HD1:sc= 0.876 K(o=1.9,f=-4.4!) USER MOD Set 7.2: A 21 SER OG : rot -25:sc= 1.07 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 12 SER OG : rot -66:sc= 1.5 USER MOD Single : A 13 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 1.44 (180deg=1.39) USER MOD Single : A 24 SER OG : rot 170:sc= -0.0192 USER MOD Single : A 25 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.0149 (180deg=-0.0918) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.607 USER MOD Single : A 42 MET CE :methyl -156:sc= -2.29 (180deg=-4.13!) USER MOD Single : A 45 GLN : amide:sc= -1.87! C(o=-1.9!,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= -0.616 K(o=-0.62,f=-0.0063) USER MOD Single : A 56 SER OG : rot -79:sc= 1.02 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.01) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 13:sc= -2.03! USER MOD Single : A 71 THR OG1 : rot 139:sc= 1.29 USER MOD Single : A 75 MET CE :methyl 168:sc= 0 (180deg=-0.14) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.14) USER MOD Single : A 86 ASN : amide:sc= -0.0957 K(o=-0.096,f=-8.8!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 80:sc= 0.518 USER MOD Single : A 100 SER OG : rot 21:sc= -0.964! USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= -0.0014 (180deg=-0.108) USER MOD Single : A 110 THR OG1 : rot 150:sc=-0.00389 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.87) USER MOD Single : A 123 GLN : amide:sc= -2.71! K(o=-2.7!,f=-3.4) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= 1.02 K(o=1,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 15.893 -11.157 -3.104 1.00 0.00 N ATOM 47 CA LEU A 4 16.512 -10.669 -4.325 1.00 0.00 C ATOM 48 C LEU A 4 17.140 -9.322 -3.976 1.00 0.00 C ATOM 49 O LEU A 4 17.079 -8.919 -2.817 1.00 0.00 O ATOM 50 CB LEU A 4 15.505 -10.563 -5.537 1.00 0.00 C ATOM 51 CG LEU A 4 14.909 -11.875 -6.121 1.00 0.00 C ATOM 52 CD1 LEU A 4 13.953 -12.565 -5.155 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.189 -11.583 -7.421 1.00 0.00 C ATOM 0 HA LEU A 4 17.264 -11.377 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 4 14.674 -9.932 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.014 -10.041 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 4 15.744 -12.553 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.566 -13.475 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.483 -12.818 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.125 -11.896 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.775 -12.508 -7.823 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.382 -10.873 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 4 14.891 -11.158 -8.138 1.00 0.00 H new ATOM 65 N GLU A 5 17.725 -8.631 -4.904 1.00 0.00 N ATOM 66 CA GLU A 5 18.442 -7.400 -4.552 1.00 0.00 C ATOM 67 C GLU A 5 17.663 -6.152 -4.897 1.00 0.00 C ATOM 68 O GLU A 5 16.875 -6.130 -5.841 1.00 0.00 O ATOM 69 CB GLU A 5 19.817 -7.342 -5.209 1.00 0.00 C ATOM 70 CG GLU A 5 20.774 -8.428 -4.774 1.00 0.00 C ATOM 71 CD GLU A 5 22.123 -8.282 -5.421 1.00 0.00 C ATOM 72 OE1 GLU A 5 22.924 -7.437 -4.971 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.422 -9.018 -6.377 1.00 0.00 O ATOM 0 H GLU A 5 17.734 -8.873 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 5 18.565 -7.430 -3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.690 -7.401 -6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.267 -6.373 -4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.887 -8.399 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.355 -9.402 -5.025 1.00 0.00 H new ATOM 80 N CYS A 6 17.891 -5.127 -4.128 1.00 0.00 N ATOM 81 CA CYS A 6 17.284 -3.835 -4.319 1.00 0.00 C ATOM 82 C CYS A 6 18.314 -2.747 -3.978 1.00 0.00 C ATOM 83 O CYS A 6 19.366 -3.074 -3.413 1.00 0.00 O ATOM 84 CB CYS A 6 16.051 -3.734 -3.436 1.00 0.00 C ATOM 85 SG CYS A 6 16.354 -4.071 -1.695 1.00 0.00 S ATOM 0 H CYS A 6 18.522 -5.165 -3.327 1.00 0.00 H new ATOM 0 HA CYS A 6 16.973 -3.699 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.631 -2.733 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.298 -4.432 -3.803 1.00 0.00 H new ATOM 90 N PRO A 7 18.081 -1.455 -4.354 1.00 0.00 N ATOM 91 CA PRO A 7 19.006 -0.353 -4.018 1.00 0.00 C ATOM 92 C PRO A 7 19.306 -0.265 -2.508 1.00 0.00 C ATOM 93 O PRO A 7 18.462 -0.610 -1.668 1.00 0.00 O ATOM 94 CB PRO A 7 18.259 0.893 -4.491 1.00 0.00 C ATOM 95 CG PRO A 7 17.375 0.408 -5.577 1.00 0.00 C ATOM 96 CD PRO A 7 16.945 -0.968 -5.167 1.00 0.00 C ATOM 0 HA PRO A 7 19.981 -0.487 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.683 1.341 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.949 1.656 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.515 1.065 -5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.903 0.385 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.020 -0.945 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.766 -1.607 -6.032 1.00 0.00 H new ATOM 104 N GLN A 8 20.495 0.217 -2.185 1.00 0.00 N ATOM 105 CA GLN A 8 21.010 0.264 -0.807 1.00 0.00 C ATOM 106 C GLN A 8 20.139 1.089 0.143 1.00 0.00 C ATOM 107 O GLN A 8 20.056 0.791 1.330 1.00 0.00 O ATOM 108 CB GLN A 8 22.441 0.811 -0.783 1.00 0.00 C ATOM 109 CG GLN A 8 22.567 2.242 -1.293 1.00 0.00 C ATOM 110 CD GLN A 8 23.955 2.798 -1.159 1.00 0.00 C ATOM 111 OE1 GLN A 8 24.699 2.437 -0.253 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.318 3.674 -2.044 1.00 0.00 N ATOM 0 H GLN A 8 21.146 0.594 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 8 20.992 -0.766 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.819 0.766 0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.077 0.164 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.269 2.275 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.873 2.879 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.672 3.950 -2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.250 4.087 -2.001 1.00 0.00 H new ATOM 121 N ASP A 9 19.479 2.099 -0.386 1.00 0.00 N ATOM 122 CA ASP A 9 18.695 3.020 0.440 1.00 0.00 C ATOM 123 C ASP A 9 17.300 2.497 0.668 1.00 0.00 C ATOM 124 O ASP A 9 16.469 3.157 1.287 1.00 0.00 O ATOM 125 CB ASP A 9 18.615 4.413 -0.203 1.00 0.00 C ATOM 126 CG ASP A 9 19.958 5.076 -0.368 1.00 0.00 C ATOM 127 OD1 ASP A 9 20.485 5.626 0.607 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.502 5.068 -1.495 1.00 0.00 O ATOM 0 H ASP A 9 19.464 2.310 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 9 19.206 3.100 1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.139 4.327 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.976 5.051 0.408 1.00 0.00 H new ATOM 133 N TRP A 10 17.037 1.326 0.171 1.00 0.00 N ATOM 134 CA TRP A 10 15.744 0.739 0.294 1.00 0.00 C ATOM 135 C TRP A 10 15.730 -0.251 1.425 1.00 0.00 C ATOM 136 O TRP A 10 16.719 -0.944 1.682 1.00 0.00 O ATOM 137 CB TRP A 10 15.294 0.117 -1.029 1.00 0.00 C ATOM 138 CG TRP A 10 14.979 1.148 -2.082 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.777 2.171 -2.504 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.782 1.247 -2.844 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.143 2.900 -3.465 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.920 2.355 -3.698 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.605 0.510 -2.887 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.926 2.739 -4.580 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.623 0.894 -3.764 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.789 1.998 -4.599 1.00 0.00 C ATOM 0 H TRP A 10 17.716 0.753 -0.331 1.00 0.00 H new ATOM 0 HA TRP A 10 15.022 1.520 0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.077 -0.546 -1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.412 -0.499 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.770 2.374 -2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.525 3.722 -3.934 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.466 -0.347 -2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 13.050 3.594 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.703 0.330 -3.809 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.994 2.270 -5.277 1.00 0.00 H new ATOM 157 N LEU A 11 14.637 -0.278 2.123 1.00 0.00 N ATOM 158 CA LEU A 11 14.459 -1.117 3.284 1.00 0.00 C ATOM 159 C LEU A 11 14.029 -2.466 2.856 1.00 0.00 C ATOM 160 O LEU A 11 12.851 -2.730 2.640 1.00 0.00 O ATOM 161 CB LEU A 11 13.453 -0.513 4.275 1.00 0.00 C ATOM 162 CG LEU A 11 13.865 0.735 5.098 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.466 1.832 4.233 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.646 1.275 5.817 1.00 0.00 C ATOM 0 H LEU A 11 13.821 0.293 1.902 1.00 0.00 H new ATOM 0 HA LEU A 11 15.414 -1.190 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.554 -0.256 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.176 -1.296 4.981 1.00 0.00 H new ATOM 0 HG LEU A 11 14.632 0.425 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.737 2.682 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.356 1.453 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.736 2.148 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.926 2.153 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.885 1.551 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.248 0.510 6.484 1.00 0.00 H new ATOM 176 N SER A 12 14.991 -3.262 2.645 1.00 0.00 N ATOM 177 CA SER A 12 14.820 -4.603 2.232 1.00 0.00 C ATOM 178 C SER A 12 14.222 -5.433 3.401 1.00 0.00 C ATOM 179 O SER A 12 14.808 -5.509 4.485 1.00 0.00 O ATOM 180 CB SER A 12 16.198 -5.093 1.832 1.00 0.00 C ATOM 181 OG SER A 12 16.951 -4.009 1.272 1.00 0.00 O ATOM 0 H SER A 12 15.968 -2.993 2.758 1.00 0.00 H new ATOM 0 HA SER A 12 14.129 -4.701 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.717 -5.499 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.111 -5.902 1.106 1.00 0.00 H new ATOM 0 HG SER A 12 16.538 -3.724 0.430 1.00 0.00 H new ATOM 187 N HIS A 13 13.053 -5.990 3.186 1.00 0.00 N ATOM 188 CA HIS A 13 12.344 -6.780 4.179 1.00 0.00 C ATOM 189 C HIS A 13 11.817 -8.023 3.514 1.00 0.00 C ATOM 190 O HIS A 13 10.944 -7.936 2.658 1.00 0.00 O ATOM 191 CB HIS A 13 11.169 -5.983 4.782 1.00 0.00 C ATOM 192 CG HIS A 13 10.340 -6.743 5.802 1.00 0.00 C ATOM 193 ND1 HIS A 13 9.059 -7.202 5.569 1.00 0.00 N ATOM 194 CD2 HIS A 13 10.613 -7.080 7.080 1.00 0.00 C ATOM 195 CE1 HIS A 13 8.596 -7.774 6.658 1.00 0.00 C ATOM 196 NE2 HIS A 13 9.517 -7.714 7.584 1.00 0.00 N ATOM 0 H HIS A 13 12.554 -5.908 2.300 1.00 0.00 H new ATOM 0 HA HIS A 13 13.030 -7.037 4.986 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.563 -5.083 5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.515 -5.659 3.972 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.551 -7.111 4.689 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.534 -6.883 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.618 -8.219 6.769 1.00 0.00 H new ATOM 205 N ARG A 14 12.351 -9.157 3.911 1.00 0.00 N ATOM 206 CA ARG A 14 11.986 -10.457 3.375 1.00 0.00 C ATOM 207 C ARG A 14 12.201 -10.522 1.865 1.00 0.00 C ATOM 208 O ARG A 14 13.325 -10.668 1.381 1.00 0.00 O ATOM 209 CB ARG A 14 10.536 -10.836 3.707 1.00 0.00 C ATOM 210 CG ARG A 14 10.216 -11.027 5.166 1.00 0.00 C ATOM 211 CD ARG A 14 8.729 -11.276 5.325 1.00 0.00 C ATOM 212 NE ARG A 14 8.277 -12.404 4.491 1.00 0.00 N ATOM 213 CZ ARG A 14 7.016 -12.597 4.052 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.086 -11.669 4.236 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.723 -13.682 3.342 1.00 0.00 N ATOM 0 H ARG A 14 13.069 -9.206 4.633 1.00 0.00 H new ATOM 0 HA ARG A 14 12.645 -11.179 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.880 -10.061 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.294 -11.759 3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.782 -11.868 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.511 -10.144 5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.504 -11.483 6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.177 -10.376 5.052 1.00 0.00 H new ATOM 0 HE ARG A 14 8.976 -13.097 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.321 -10.799 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.136 -11.826 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.450 -14.365 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.771 -13.831 3.008 1.00 0.00 H new ATOM 229 N ASP A 15 11.128 -10.344 1.144 1.00 0.00 N ATOM 230 CA ASP A 15 11.096 -10.422 -0.284 1.00 0.00 C ATOM 231 C ASP A 15 10.550 -9.127 -0.865 1.00 0.00 C ATOM 232 O ASP A 15 9.974 -9.105 -1.958 1.00 0.00 O ATOM 233 CB ASP A 15 10.223 -11.611 -0.736 1.00 0.00 C ATOM 234 CG ASP A 15 8.806 -11.651 -0.207 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.623 -11.912 0.985 1.00 0.00 O ATOM 236 OD2 ASP A 15 7.851 -11.497 -1.001 1.00 0.00 O ATOM 0 H ASP A 15 10.219 -10.133 1.555 1.00 0.00 H new ATOM 0 HA ASP A 15 12.112 -10.574 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.180 -11.607 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.723 -12.533 -0.440 1.00 0.00 H new ATOM 241 N LYS A 16 10.723 -8.052 -0.143 1.00 0.00 N ATOM 242 CA LYS A 16 10.308 -6.729 -0.588 1.00 0.00 C ATOM 243 C LYS A 16 11.365 -5.720 -0.177 1.00 0.00 C ATOM 244 O LYS A 16 12.198 -6.015 0.665 1.00 0.00 O ATOM 245 CB LYS A 16 8.963 -6.295 0.043 1.00 0.00 C ATOM 246 CG LYS A 16 7.709 -7.086 -0.341 1.00 0.00 C ATOM 247 CD LYS A 16 7.674 -8.479 0.250 1.00 0.00 C ATOM 248 CE LYS A 16 6.328 -9.108 0.119 1.00 0.00 C ATOM 249 NZ LYS A 16 6.013 -9.464 -1.278 1.00 0.00 N ATOM 0 H LYS A 16 11.158 -8.060 0.779 1.00 0.00 H new ATOM 0 HA LYS A 16 10.184 -6.769 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.070 -6.342 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.793 -5.250 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.827 -6.537 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.652 -7.158 -1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.416 -9.103 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.952 -8.433 1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.285 -10.004 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.570 -8.422 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.083 -9.928 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.994 -8.602 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.739 -10.113 -1.643 1.00 0.00 H new ATOM 263 N CYS A 17 11.346 -4.559 -0.772 1.00 0.00 N ATOM 264 CA CYS A 17 12.244 -3.471 -0.386 1.00 0.00 C ATOM 265 C CYS A 17 11.491 -2.167 -0.432 1.00 0.00 C ATOM 266 O CYS A 17 10.948 -1.831 -1.452 1.00 0.00 O ATOM 267 CB CYS A 17 13.462 -3.416 -1.292 1.00 0.00 C ATOM 268 SG CYS A 17 14.579 -4.843 -1.144 1.00 0.00 S ATOM 0 H CYS A 17 10.714 -4.327 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 17 12.599 -3.651 0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.126 -3.340 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 17 14.023 -2.508 -1.071 1.00 0.00 H new ATOM 273 N PHE A 18 11.509 -1.416 0.647 1.00 0.00 N ATOM 274 CA PHE A 18 10.631 -0.256 0.788 1.00 0.00 C ATOM 275 C PHE A 18 11.376 1.079 0.741 1.00 0.00 C ATOM 276 O PHE A 18 12.518 1.187 1.175 1.00 0.00 O ATOM 277 CB PHE A 18 9.913 -0.334 2.147 1.00 0.00 C ATOM 278 CG PHE A 18 9.270 -1.661 2.447 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.421 -2.261 1.548 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.530 -2.306 3.638 1.00 0.00 C ATOM 281 CE1 PHE A 18 7.845 -3.480 1.827 1.00 0.00 C ATOM 282 CE2 PHE A 18 8.953 -3.524 3.925 1.00 0.00 C ATOM 283 CZ PHE A 18 8.111 -4.113 3.017 1.00 0.00 C ATOM 0 H PHE A 18 12.121 -1.581 1.446 1.00 0.00 H new ATOM 0 HA PHE A 18 9.939 -0.288 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.632 -0.108 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.147 0.441 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.203 -1.770 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.195 -1.850 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.182 -3.940 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.164 -4.014 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.659 -5.069 3.236 1.00 0.00 H new ATOM 293 N HIS A 19 10.709 2.066 0.183 1.00 0.00 N ATOM 294 CA HIS A 19 11.135 3.453 0.180 1.00 0.00 C ATOM 295 C HIS A 19 9.934 4.286 0.620 1.00 0.00 C ATOM 296 O HIS A 19 8.989 4.472 -0.163 1.00 0.00 O ATOM 297 CB HIS A 19 11.555 3.925 -1.234 1.00 0.00 C ATOM 298 CG HIS A 19 12.187 5.297 -1.263 1.00 0.00 C ATOM 299 ND1 HIS A 19 11.479 6.483 -1.451 1.00 0.00 N ATOM 300 CD2 HIS A 19 13.482 5.660 -1.134 1.00 0.00 C ATOM 301 CE1 HIS A 19 12.325 7.495 -1.437 1.00 0.00 C ATOM 302 NE2 HIS A 19 13.539 7.023 -1.247 1.00 0.00 N ATOM 0 H HIS A 19 9.822 1.921 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 19 11.994 3.565 0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.257 3.204 -1.652 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.677 3.927 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 19 14.319 4.997 -0.972 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.065 8.536 -1.561 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.389 7.585 -1.193 1.00 0.00 H new ATOM 311 N VAL A 20 9.941 4.740 1.846 1.00 0.00 N ATOM 312 CA VAL A 20 8.850 5.556 2.362 1.00 0.00 C ATOM 313 C VAL A 20 9.108 7.007 1.998 1.00 0.00 C ATOM 314 O VAL A 20 9.916 7.693 2.628 1.00 0.00 O ATOM 315 CB VAL A 20 8.682 5.419 3.907 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.553 6.317 4.414 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.401 3.972 4.287 1.00 0.00 C ATOM 0 H VAL A 20 10.689 4.563 2.516 1.00 0.00 H new ATOM 0 HA VAL A 20 7.923 5.204 1.909 1.00 0.00 H new ATOM 0 HB VAL A 20 9.615 5.734 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.455 6.204 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.780 7.356 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.617 6.032 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.287 3.895 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.484 3.640 3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.231 3.343 3.964 1.00 0.00 H new ATOM 327 N SER A 21 8.516 7.424 0.932 1.00 0.00 N ATOM 328 CA SER A 21 8.652 8.759 0.457 1.00 0.00 C ATOM 329 C SER A 21 7.750 9.691 1.282 1.00 0.00 C ATOM 330 O SER A 21 6.528 9.592 1.202 1.00 0.00 O ATOM 331 CB SER A 21 8.268 8.773 -1.014 1.00 0.00 C ATOM 332 OG SER A 21 8.942 7.715 -1.714 1.00 0.00 O ATOM 0 H SER A 21 7.913 6.837 0.355 1.00 0.00 H new ATOM 0 HA SER A 21 9.678 9.113 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.189 8.657 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.528 9.735 -1.456 1.00 0.00 H new ATOM 0 HG SER A 21 9.763 7.476 -1.234 1.00 0.00 H new ATOM 338 N GLN A 22 8.357 10.590 2.058 1.00 0.00 N ATOM 339 CA GLN A 22 7.631 11.540 2.929 1.00 0.00 C ATOM 340 C GLN A 22 7.229 12.805 2.172 1.00 0.00 C ATOM 341 O GLN A 22 6.842 13.819 2.769 1.00 0.00 O ATOM 342 CB GLN A 22 8.438 11.902 4.182 1.00 0.00 C ATOM 343 CG GLN A 22 8.557 10.788 5.224 1.00 0.00 C ATOM 344 CD GLN A 22 7.224 10.381 5.886 1.00 0.00 C ATOM 345 OE1 GLN A 22 7.060 9.233 6.297 1.00 0.00 O ATOM 346 NE2 GLN A 22 6.286 11.312 6.029 1.00 0.00 N ATOM 0 H GLN A 22 9.371 10.687 2.106 1.00 0.00 H new ATOM 0 HA GLN A 22 6.722 11.032 3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.441 12.200 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.978 12.771 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.994 9.910 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.250 11.109 6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.447 12.256 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.405 11.082 6.489 1.00 0.00 H new ATOM 355 N VAL A 23 7.303 12.730 0.883 1.00 0.00 N ATOM 356 CA VAL A 23 6.953 13.831 0.009 1.00 0.00 C ATOM 357 C VAL A 23 5.581 13.570 -0.569 1.00 0.00 C ATOM 358 O VAL A 23 5.164 12.425 -0.623 1.00 0.00 O ATOM 359 CB VAL A 23 8.009 14.058 -1.099 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.243 14.681 -0.499 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.393 12.752 -1.760 1.00 0.00 C ATOM 0 H VAL A 23 7.612 11.894 0.388 1.00 0.00 H new ATOM 0 HA VAL A 23 6.934 14.753 0.590 1.00 0.00 H new ATOM 0 HB VAL A 23 7.576 14.719 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.986 14.841 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.984 15.637 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.653 14.017 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.136 12.941 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.810 12.076 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.509 12.297 -2.208 1.00 0.00 H new ATOM 371 N SER A 24 4.884 14.591 -0.996 1.00 0.00 N ATOM 372 CA SER A 24 3.496 14.414 -1.367 1.00 0.00 C ATOM 373 C SER A 24 3.233 14.466 -2.892 1.00 0.00 C ATOM 374 O SER A 24 3.906 15.195 -3.644 1.00 0.00 O ATOM 375 CB SER A 24 2.644 15.419 -0.609 1.00 0.00 C ATOM 376 OG SER A 24 3.008 15.414 0.774 1.00 0.00 O ATOM 0 H SER A 24 5.243 15.540 -1.096 1.00 0.00 H new ATOM 0 HA SER A 24 3.213 13.401 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.782 16.416 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.588 15.171 -0.718 1.00 0.00 H new ATOM 0 HG SER A 24 2.577 16.168 1.228 1.00 0.00 H new ATOM 382 N ASN A 25 2.245 13.680 -3.296 1.00 0.00 N ATOM 383 CA ASN A 25 1.770 13.482 -4.660 1.00 0.00 C ATOM 384 C ASN A 25 0.388 12.865 -4.611 1.00 0.00 C ATOM 385 O ASN A 25 -0.155 12.621 -3.519 1.00 0.00 O ATOM 386 CB ASN A 25 2.657 12.501 -5.451 1.00 0.00 C ATOM 387 CG ASN A 25 3.802 13.128 -6.216 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.751 14.304 -6.594 1.00 0.00 O ATOM 389 ND2 ASN A 25 4.783 12.328 -6.554 1.00 0.00 N ATOM 0 H ASN A 25 1.714 13.121 -2.628 1.00 0.00 H new ATOM 0 HA ASN A 25 1.782 14.457 -5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.066 11.768 -4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.028 11.957 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.538 12.670 -7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.791 11.363 -6.223 1.00 0.00 H new ATOM 396 N THR A 26 -0.178 12.606 -5.770 1.00 0.00 N ATOM 397 CA THR A 26 -1.407 11.869 -5.853 1.00 0.00 C ATOM 398 C THR A 26 -1.047 10.377 -5.932 1.00 0.00 C ATOM 399 O THR A 26 0.135 10.037 -6.164 1.00 0.00 O ATOM 400 CB THR A 26 -2.234 12.292 -7.096 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.441 12.147 -8.286 1.00 0.00 O ATOM 402 CG2 THR A 26 -2.703 13.736 -6.970 1.00 0.00 C ATOM 0 H THR A 26 0.201 12.900 -6.670 1.00 0.00 H new ATOM 0 HA THR A 26 -2.022 12.073 -4.976 1.00 0.00 H new ATOM 0 HB THR A 26 -3.109 11.645 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.970 12.414 -9.066 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.280 14.009 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.327 13.840 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.838 14.393 -6.884 1.00 0.00 H new ATOM 410 N TRP A 27 -2.024 9.507 -5.752 1.00 0.00 N ATOM 411 CA TRP A 27 -1.797 8.056 -5.758 1.00 0.00 C ATOM 412 C TRP A 27 -1.167 7.597 -7.083 1.00 0.00 C ATOM 413 O TRP A 27 -0.146 6.904 -7.098 1.00 0.00 O ATOM 414 CB TRP A 27 -3.132 7.320 -5.503 1.00 0.00 C ATOM 415 CG TRP A 27 -3.039 5.815 -5.459 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.829 5.035 -4.370 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.174 4.923 -6.561 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.793 3.718 -4.733 1.00 0.00 N ATOM 419 CE2 TRP A 27 -3.008 3.620 -6.076 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.406 5.111 -7.905 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -3.071 2.505 -6.906 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.471 4.034 -8.734 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.304 2.733 -8.238 1.00 0.00 C ATOM 0 H TRP A 27 -2.996 9.775 -5.597 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.096 7.810 -4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.546 7.670 -4.557 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.838 7.601 -6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.708 5.402 -3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.631 2.934 -4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.536 6.108 -8.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.942 1.505 -6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.654 4.183 -9.788 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.360 1.895 -8.917 1.00 0.00 H new ATOM 434 N GLU A 28 -1.760 8.031 -8.182 1.00 0.00 N ATOM 435 CA GLU A 28 -1.329 7.622 -9.514 1.00 0.00 C ATOM 436 C GLU A 28 0.057 8.175 -9.852 1.00 0.00 C ATOM 437 O GLU A 28 0.866 7.501 -10.502 1.00 0.00 O ATOM 438 CB GLU A 28 -2.364 8.060 -10.548 1.00 0.00 C ATOM 439 CG GLU A 28 -3.740 7.483 -10.303 1.00 0.00 C ATOM 440 CD GLU A 28 -4.781 8.018 -11.234 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.945 7.490 -12.338 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.495 8.967 -10.850 1.00 0.00 O ATOM 0 H GLU A 28 -2.551 8.675 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.250 6.535 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.429 9.148 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.024 7.762 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.695 6.399 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.038 7.695 -9.276 1.00 0.00 H new ATOM 449 N GLU A 29 0.341 9.380 -9.376 1.00 0.00 N ATOM 450 CA GLU A 29 1.602 10.022 -9.617 1.00 0.00 C ATOM 451 C GLU A 29 2.713 9.253 -8.901 1.00 0.00 C ATOM 452 O GLU A 29 3.712 8.875 -9.514 1.00 0.00 O ATOM 453 CB GLU A 29 1.518 11.431 -9.089 1.00 0.00 C ATOM 454 CG GLU A 29 2.637 12.335 -9.502 1.00 0.00 C ATOM 455 CD GLU A 29 2.653 12.584 -10.984 1.00 0.00 C ATOM 456 OE1 GLU A 29 1.828 13.387 -11.475 1.00 0.00 O ATOM 457 OE2 GLU A 29 3.476 11.982 -11.690 1.00 0.00 O ATOM 0 H GLU A 29 -0.306 9.931 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 29 1.827 10.038 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.577 11.870 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.487 11.392 -8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.545 13.286 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.587 11.895 -9.200 1.00 0.00 H new ATOM 464 N GLY A 30 2.491 8.977 -7.608 1.00 0.00 N ATOM 465 CA GLY A 30 3.459 8.239 -6.809 1.00 0.00 C ATOM 466 C GLY A 30 3.695 6.843 -7.342 1.00 0.00 C ATOM 467 O GLY A 30 4.794 6.316 -7.236 1.00 0.00 O ATOM 0 H GLY A 30 1.651 9.256 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.403 8.784 -6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.107 8.178 -5.779 1.00 0.00 H new ATOM 471 N LEU A 31 2.654 6.257 -7.930 1.00 0.00 N ATOM 472 CA LEU A 31 2.742 4.944 -8.569 1.00 0.00 C ATOM 473 C LEU A 31 3.842 5.007 -9.639 1.00 0.00 C ATOM 474 O LEU A 31 4.775 4.187 -9.657 1.00 0.00 O ATOM 475 CB LEU A 31 1.365 4.601 -9.219 1.00 0.00 C ATOM 476 CG LEU A 31 1.089 3.152 -9.725 1.00 0.00 C ATOM 477 CD1 LEU A 31 -0.328 3.056 -10.244 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.044 2.707 -10.824 1.00 0.00 C ATOM 0 H LEU A 31 1.726 6.678 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 31 2.985 4.170 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.591 4.844 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.228 5.273 -10.066 1.00 0.00 H new ATOM 0 HG LEU A 31 1.242 2.491 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.518 2.042 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.026 3.298 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.462 3.758 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.797 1.691 -11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.952 3.377 -11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.067 2.735 -10.450 1.00 0.00 H new ATOM 490 N VAL A 32 3.741 6.016 -10.492 1.00 0.00 N ATOM 491 CA VAL A 32 4.682 6.224 -11.584 1.00 0.00 C ATOM 492 C VAL A 32 6.090 6.516 -11.036 1.00 0.00 C ATOM 493 O VAL A 32 7.097 6.074 -11.605 1.00 0.00 O ATOM 494 CB VAL A 32 4.199 7.365 -12.526 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.182 7.612 -13.654 1.00 0.00 C ATOM 496 CG2 VAL A 32 2.831 7.030 -13.099 1.00 0.00 C ATOM 0 H VAL A 32 3.001 6.717 -10.446 1.00 0.00 H new ATOM 0 HA VAL A 32 4.731 5.308 -12.172 1.00 0.00 H new ATOM 0 HB VAL A 32 4.131 8.276 -11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.811 8.415 -14.291 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.149 7.896 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.294 6.703 -14.245 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.504 7.836 -13.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.892 6.101 -13.666 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.115 6.912 -12.286 1.00 0.00 H new ATOM 506 N ASP A 33 6.144 7.215 -9.907 1.00 0.00 N ATOM 507 CA ASP A 33 7.409 7.504 -9.221 1.00 0.00 C ATOM 508 C ASP A 33 8.133 6.241 -8.858 1.00 0.00 C ATOM 509 O ASP A 33 9.359 6.158 -8.995 1.00 0.00 O ATOM 510 CB ASP A 33 7.201 8.360 -7.965 1.00 0.00 C ATOM 511 CG ASP A 33 7.103 9.825 -8.256 1.00 0.00 C ATOM 512 OD1 ASP A 33 8.153 10.501 -8.274 1.00 0.00 O ATOM 513 OD2 ASP A 33 6.007 10.339 -8.506 1.00 0.00 O ATOM 0 H ASP A 33 5.321 7.597 -9.440 1.00 0.00 H new ATOM 0 HA ASP A 33 8.018 8.073 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.292 8.036 -7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.028 8.188 -7.276 1.00 0.00 H new ATOM 518 N CYS A 34 7.388 5.246 -8.432 1.00 0.00 N ATOM 519 CA CYS A 34 7.953 3.973 -8.064 1.00 0.00 C ATOM 520 C CYS A 34 8.474 3.245 -9.289 1.00 0.00 C ATOM 521 O CYS A 34 9.601 2.718 -9.275 1.00 0.00 O ATOM 522 CB CYS A 34 6.936 3.126 -7.328 1.00 0.00 C ATOM 523 SG CYS A 34 6.239 3.944 -5.863 1.00 0.00 S ATOM 0 H CYS A 34 6.374 5.299 -8.332 1.00 0.00 H new ATOM 0 HA CYS A 34 8.792 4.154 -7.392 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.126 2.869 -8.011 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.406 2.191 -7.024 1.00 0.00 H new ATOM 528 N ASP A 35 7.690 3.259 -10.373 1.00 0.00 N ATOM 529 CA ASP A 35 8.105 2.628 -11.641 1.00 0.00 C ATOM 530 C ASP A 35 9.357 3.236 -12.195 1.00 0.00 C ATOM 531 O ASP A 35 10.125 2.569 -12.892 1.00 0.00 O ATOM 532 CB ASP A 35 7.002 2.591 -12.708 1.00 0.00 C ATOM 533 CG ASP A 35 6.177 1.324 -12.679 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.651 0.293 -13.243 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.043 1.325 -12.188 1.00 0.00 O ATOM 0 H ASP A 35 6.769 3.696 -10.403 1.00 0.00 H new ATOM 0 HA ASP A 35 8.315 1.591 -11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.343 3.448 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.457 2.697 -13.693 1.00 0.00 H new ATOM 540 N GLY A 36 9.586 4.479 -11.842 1.00 0.00 N ATOM 541 CA GLY A 36 10.775 5.179 -12.246 1.00 0.00 C ATOM 542 C GLY A 36 12.062 4.521 -11.743 1.00 0.00 C ATOM 543 O GLY A 36 13.110 4.642 -12.382 1.00 0.00 O ATOM 0 H GLY A 36 8.950 5.031 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.804 5.234 -13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.729 6.203 -11.876 1.00 0.00 H new ATOM 547 N LYS A 37 11.995 3.818 -10.608 1.00 0.00 N ATOM 548 CA LYS A 37 13.188 3.127 -10.086 1.00 0.00 C ATOM 549 C LYS A 37 13.157 1.649 -10.473 1.00 0.00 C ATOM 550 O LYS A 37 14.074 0.888 -10.140 1.00 0.00 O ATOM 551 CB LYS A 37 13.317 3.196 -8.541 1.00 0.00 C ATOM 552 CG LYS A 37 13.207 4.567 -7.900 1.00 0.00 C ATOM 553 CD LYS A 37 11.775 4.855 -7.495 1.00 0.00 C ATOM 554 CE LYS A 37 11.636 6.212 -6.832 1.00 0.00 C ATOM 555 NZ LYS A 37 11.952 7.309 -7.767 1.00 0.00 N ATOM 0 H LYS A 37 11.153 3.711 -10.042 1.00 0.00 H new ATOM 0 HA LYS A 37 14.039 3.645 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.547 2.557 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.280 2.768 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.855 4.618 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.553 5.329 -8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.134 4.814 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.428 4.080 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.619 6.333 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.300 6.266 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.670 8.217 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.974 7.318 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.434 7.166 -8.658 1.00 0.00 H new ATOM 569 N GLY A 38 12.117 1.250 -11.171 1.00 0.00 N ATOM 570 CA GLY A 38 11.934 -0.157 -11.466 1.00 0.00 C ATOM 571 C GLY A 38 11.332 -0.851 -10.264 1.00 0.00 C ATOM 572 O GLY A 38 11.667 -1.990 -9.933 1.00 0.00 O ATOM 0 H GLY A 38 11.394 1.867 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.283 -0.276 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.890 -0.613 -11.721 1.00 0.00 H new ATOM 576 N ALA A 39 10.468 -0.132 -9.594 1.00 0.00 N ATOM 577 CA ALA A 39 9.801 -0.594 -8.418 1.00 0.00 C ATOM 578 C ALA A 39 8.324 -0.368 -8.599 1.00 0.00 C ATOM 579 O ALA A 39 7.910 0.188 -9.608 1.00 0.00 O ATOM 580 CB ALA A 39 10.317 0.154 -7.203 1.00 0.00 C ATOM 0 H ALA A 39 10.206 0.816 -9.864 1.00 0.00 H new ATOM 0 HA ALA A 39 9.993 -1.656 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.804 -0.204 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.388 -0.017 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.130 1.221 -7.326 1.00 0.00 H new ATOM 586 N THR A 40 7.547 -0.781 -7.674 1.00 0.00 N ATOM 587 CA THR A 40 6.125 -0.637 -7.761 1.00 0.00 C ATOM 588 C THR A 40 5.581 0.029 -6.500 1.00 0.00 C ATOM 589 O THR A 40 6.243 0.023 -5.473 1.00 0.00 O ATOM 590 CB THR A 40 5.487 -2.018 -7.985 1.00 0.00 C ATOM 591 OG1 THR A 40 6.250 -3.010 -7.274 1.00 0.00 O ATOM 592 CG2 THR A 40 5.442 -2.374 -9.467 1.00 0.00 C ATOM 0 H THR A 40 7.872 -1.235 -6.820 1.00 0.00 H new ATOM 0 HA THR A 40 5.872 0.004 -8.606 1.00 0.00 H new ATOM 0 HB THR A 40 4.463 -1.991 -7.613 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.948 -3.905 -7.536 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.985 -3.356 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.853 -1.629 -10.002 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.455 -2.392 -9.868 1.00 0.00 H new ATOM 600 N LEU A 41 4.433 0.665 -6.601 1.00 0.00 N ATOM 601 CA LEU A 41 3.793 1.290 -5.451 1.00 0.00 C ATOM 602 C LEU A 41 3.448 0.173 -4.454 1.00 0.00 C ATOM 603 O LEU A 41 2.828 -0.805 -4.845 1.00 0.00 O ATOM 604 CB LEU A 41 2.534 2.038 -5.922 1.00 0.00 C ATOM 605 CG LEU A 41 1.866 2.999 -4.927 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.801 4.133 -4.532 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.597 3.570 -5.523 1.00 0.00 C ATOM 0 H LEU A 41 3.916 0.766 -7.474 1.00 0.00 H new ATOM 0 HA LEU A 41 4.447 2.016 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.795 2.606 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.794 1.296 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 41 1.624 2.429 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.295 4.793 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.696 3.721 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.083 4.698 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.133 4.249 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.837 4.113 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.094 2.759 -5.754 1.00 0.00 H new ATOM 619 N MET A 42 3.866 0.364 -3.193 1.00 0.00 N ATOM 620 CA MET A 42 3.852 -0.640 -2.084 1.00 0.00 C ATOM 621 C MET A 42 2.799 -1.755 -2.175 1.00 0.00 C ATOM 622 O MET A 42 1.599 -1.497 -2.223 1.00 0.00 O ATOM 623 CB MET A 42 3.771 0.058 -0.723 1.00 0.00 C ATOM 624 CG MET A 42 3.665 -0.886 0.477 1.00 0.00 C ATOM 625 SD MET A 42 5.034 -2.027 0.590 1.00 0.00 S ATOM 626 CE MET A 42 4.481 -3.065 1.936 1.00 0.00 C ATOM 0 H MET A 42 4.244 1.262 -2.890 1.00 0.00 H new ATOM 0 HA MET A 42 4.802 -1.163 -2.199 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.655 0.684 -0.598 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.907 0.723 -0.722 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.614 -0.297 1.393 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.734 -1.449 0.408 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.343 -3.532 2.413 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.946 -2.459 2.667 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.817 -3.838 1.550 1.00 0.00 H new ATOM 636 N LEU A 43 3.292 -2.988 -2.139 1.00 0.00 N ATOM 637 CA LEU A 43 2.491 -4.196 -2.209 1.00 0.00 C ATOM 638 C LEU A 43 2.638 -4.915 -0.881 1.00 0.00 C ATOM 639 O LEU A 43 3.750 -5.235 -0.463 1.00 0.00 O ATOM 640 CB LEU A 43 2.975 -5.151 -3.332 1.00 0.00 C ATOM 641 CG LEU A 43 3.112 -4.595 -4.760 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.886 -3.844 -5.186 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.364 -3.775 -4.945 1.00 0.00 C ATOM 0 H LEU A 43 4.291 -3.176 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 43 1.459 -3.920 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.947 -5.546 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.286 -5.995 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 43 3.209 -5.458 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.024 -3.468 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.024 -4.510 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.718 -3.007 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.410 -3.408 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.350 -2.930 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.238 -4.394 -4.742 1.00 0.00 H new ATOM 655 N ILE A 44 1.548 -5.157 -0.224 1.00 0.00 N ATOM 656 CA ILE A 44 1.565 -5.750 1.095 1.00 0.00 C ATOM 657 C ILE A 44 1.185 -7.225 1.009 1.00 0.00 C ATOM 658 O ILE A 44 0.043 -7.569 0.716 1.00 0.00 O ATOM 659 CB ILE A 44 0.588 -5.007 2.033 1.00 0.00 C ATOM 660 CG1 ILE A 44 0.883 -3.502 1.994 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.711 -5.533 3.463 1.00 0.00 C ATOM 662 CD1 ILE A 44 -0.111 -2.667 2.735 1.00 0.00 C ATOM 0 H ILE A 44 0.614 -4.952 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 44 2.572 -5.664 1.502 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.432 -5.183 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.874 -3.326 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.913 -3.175 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.015 -4.997 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.477 -6.597 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.729 -5.380 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.168 -1.616 2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.101 -2.811 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.126 -2.964 3.784 1.00 0.00 H new ATOM 674 N GLN A 45 2.156 -8.075 1.237 1.00 0.00 N ATOM 675 CA GLN A 45 1.960 -9.518 1.174 1.00 0.00 C ATOM 676 C GLN A 45 1.474 -10.060 2.514 1.00 0.00 C ATOM 677 O GLN A 45 0.640 -10.951 2.565 1.00 0.00 O ATOM 678 CB GLN A 45 3.287 -10.186 0.805 1.00 0.00 C ATOM 679 CG GLN A 45 3.250 -11.703 0.662 1.00 0.00 C ATOM 680 CD GLN A 45 2.400 -12.173 -0.494 1.00 0.00 C ATOM 681 OE1 GLN A 45 2.276 -11.499 -1.519 1.00 0.00 O ATOM 682 NE2 GLN A 45 1.829 -13.328 -0.354 1.00 0.00 N ATOM 0 H GLN A 45 3.108 -7.794 1.472 1.00 0.00 H new ATOM 0 HA GLN A 45 1.204 -9.737 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.637 -9.760 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.025 -9.930 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.267 -12.074 0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.869 -12.139 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.954 -13.858 0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.254 -13.707 -1.107 1.00 0.00 H new ATOM 691 N ASP A 46 1.979 -9.491 3.591 1.00 0.00 N ATOM 692 CA ASP A 46 1.692 -9.986 4.938 1.00 0.00 C ATOM 693 C ASP A 46 1.505 -8.869 5.904 1.00 0.00 C ATOM 694 O ASP A 46 1.812 -7.712 5.606 1.00 0.00 O ATOM 695 CB ASP A 46 2.835 -10.853 5.474 1.00 0.00 C ATOM 696 CG ASP A 46 2.843 -12.254 4.957 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.180 -13.124 5.579 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.538 -12.529 3.958 1.00 0.00 O ATOM 0 H ASP A 46 2.596 -8.679 3.566 1.00 0.00 H new ATOM 0 HA ASP A 46 0.777 -10.571 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.783 -10.380 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.774 -10.881 6.562 1.00 0.00 H new ATOM 703 N GLN A 47 1.041 -9.217 7.094 1.00 0.00 N ATOM 704 CA GLN A 47 0.883 -8.270 8.178 1.00 0.00 C ATOM 705 C GLN A 47 2.277 -7.882 8.658 1.00 0.00 C ATOM 706 O GLN A 47 2.502 -6.775 9.127 1.00 0.00 O ATOM 707 CB GLN A 47 0.105 -8.914 9.337 1.00 0.00 C ATOM 708 CG GLN A 47 -0.962 -8.022 9.984 1.00 0.00 C ATOM 709 CD GLN A 47 -0.457 -6.679 10.473 1.00 0.00 C ATOM 710 OE1 GLN A 47 -0.024 -6.541 11.609 1.00 0.00 O ATOM 711 NE2 GLN A 47 -0.542 -5.679 9.627 1.00 0.00 N ATOM 0 H GLN A 47 0.763 -10.169 7.332 1.00 0.00 H new ATOM 0 HA GLN A 47 0.330 -7.395 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.376 -9.821 8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.816 -9.218 10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.761 -7.853 9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.401 -8.557 10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.909 -5.835 8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.241 -4.746 9.908 1.00 0.00 H new ATOM 720 N GLU A 48 3.217 -8.813 8.458 1.00 0.00 N ATOM 721 CA GLU A 48 4.624 -8.659 8.829 1.00 0.00 C ATOM 722 C GLU A 48 5.189 -7.446 8.131 1.00 0.00 C ATOM 723 O GLU A 48 5.987 -6.692 8.698 1.00 0.00 O ATOM 724 CB GLU A 48 5.429 -9.869 8.341 1.00 0.00 C ATOM 725 CG GLU A 48 4.856 -11.221 8.703 1.00 0.00 C ATOM 726 CD GLU A 48 4.703 -11.408 10.167 1.00 0.00 C ATOM 727 OE1 GLU A 48 5.670 -11.821 10.828 1.00 0.00 O ATOM 728 OE2 GLU A 48 3.616 -11.148 10.685 1.00 0.00 O ATOM 0 H GLU A 48 3.014 -9.713 8.024 1.00 0.00 H new ATOM 0 HA GLU A 48 4.689 -8.564 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.518 -9.810 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.438 -9.800 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.885 -11.339 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.504 -12.003 8.307 1.00 0.00 H new ATOM 735 N GLU A 49 4.758 -7.269 6.884 1.00 0.00 N ATOM 736 CA GLU A 49 5.181 -6.162 6.077 1.00 0.00 C ATOM 737 C GLU A 49 4.789 -4.885 6.754 1.00 0.00 C ATOM 738 O GLU A 49 5.635 -4.078 7.091 1.00 0.00 O ATOM 739 CB GLU A 49 4.556 -6.227 4.667 1.00 0.00 C ATOM 740 CG GLU A 49 4.835 -7.530 3.922 1.00 0.00 C ATOM 741 CD GLU A 49 6.238 -8.039 4.142 1.00 0.00 C ATOM 742 OE1 GLU A 49 7.199 -7.407 3.684 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.384 -9.078 4.818 1.00 0.00 O ATOM 0 H GLU A 49 4.105 -7.899 6.418 1.00 0.00 H new ATOM 0 HA GLU A 49 6.264 -6.205 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.478 -6.093 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.934 -5.394 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.123 -8.289 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.672 -7.376 2.855 1.00 0.00 H new ATOM 750 N LEU A 50 3.510 -4.765 7.071 1.00 0.00 N ATOM 751 CA LEU A 50 3.016 -3.559 7.685 1.00 0.00 C ATOM 752 C LEU A 50 3.567 -3.317 9.056 1.00 0.00 C ATOM 753 O LEU A 50 3.701 -2.195 9.456 1.00 0.00 O ATOM 754 CB LEU A 50 1.513 -3.440 7.663 1.00 0.00 C ATOM 755 CG LEU A 50 0.913 -3.209 6.294 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.586 -3.014 6.405 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.582 -2.004 5.629 1.00 0.00 C ATOM 0 H LEU A 50 2.806 -5.486 6.912 1.00 0.00 H new ATOM 0 HA LEU A 50 3.399 -2.760 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.085 -4.350 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.218 -2.619 8.316 1.00 0.00 H new ATOM 0 HG LEU A 50 1.091 -4.085 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.006 -2.849 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.037 -3.903 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.795 -2.150 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.145 -1.843 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.427 -1.117 6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.651 -2.192 5.526 1.00 0.00 H new ATOM 769 N ARG A 51 3.893 -4.367 9.758 1.00 0.00 N ATOM 770 CA ARG A 51 4.540 -4.245 11.047 1.00 0.00 C ATOM 771 C ARG A 51 5.888 -3.548 10.890 1.00 0.00 C ATOM 772 O ARG A 51 6.231 -2.645 11.656 1.00 0.00 O ATOM 773 CB ARG A 51 4.678 -5.616 11.681 1.00 0.00 C ATOM 774 CG ARG A 51 3.345 -6.187 12.090 1.00 0.00 C ATOM 775 CD ARG A 51 3.465 -7.578 12.634 1.00 0.00 C ATOM 776 NE ARG A 51 2.217 -8.001 13.306 1.00 0.00 N ATOM 777 CZ ARG A 51 1.814 -9.261 13.512 1.00 0.00 C ATOM 778 NH1 ARG A 51 2.434 -10.272 12.938 1.00 0.00 N ATOM 779 NH2 ARG A 51 0.734 -9.495 14.257 1.00 0.00 N ATOM 0 H ARG A 51 3.722 -5.328 9.461 1.00 0.00 H new ATOM 0 HA ARG A 51 3.931 -3.632 11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.162 -6.293 10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.326 -5.548 12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.892 -5.543 12.843 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.675 -6.192 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.697 -8.269 11.824 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.294 -7.625 13.340 1.00 0.00 H new ATOM 0 HE ARG A 51 1.603 -7.260 13.646 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.233 -10.100 12.327 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.115 -11.227 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.219 -8.716 14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.423 -10.453 14.417 1.00 0.00 H new ATOM 793 N PHE A 52 6.598 -3.923 9.842 1.00 0.00 N ATOM 794 CA PHE A 52 7.869 -3.298 9.508 1.00 0.00 C ATOM 795 C PHE A 52 7.622 -1.865 9.010 1.00 0.00 C ATOM 796 O PHE A 52 8.455 -0.966 9.222 1.00 0.00 O ATOM 797 CB PHE A 52 8.620 -4.124 8.445 1.00 0.00 C ATOM 798 CG PHE A 52 10.001 -3.608 8.106 1.00 0.00 C ATOM 799 CD1 PHE A 52 10.182 -2.679 7.102 1.00 0.00 C ATOM 800 CD2 PHE A 52 11.113 -4.057 8.796 1.00 0.00 C ATOM 801 CE1 PHE A 52 11.434 -2.209 6.790 1.00 0.00 C ATOM 802 CE2 PHE A 52 12.376 -3.589 8.488 1.00 0.00 C ATOM 803 CZ PHE A 52 12.536 -2.663 7.483 1.00 0.00 C ATOM 0 H PHE A 52 6.314 -4.664 9.201 1.00 0.00 H new ATOM 0 HA PHE A 52 8.492 -3.260 10.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.707 -5.152 8.797 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.022 -4.149 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.326 -2.316 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.992 -4.783 9.586 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.556 -1.482 6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.235 -3.949 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.521 -2.293 7.238 1.00 0.00 H new ATOM 813 N LEU A 53 6.475 -1.649 8.356 1.00 0.00 N ATOM 814 CA LEU A 53 6.104 -0.324 7.907 1.00 0.00 C ATOM 815 C LEU A 53 5.912 0.561 9.085 1.00 0.00 C ATOM 816 O LEU A 53 6.527 1.572 9.175 1.00 0.00 O ATOM 817 CB LEU A 53 4.838 -0.290 7.008 1.00 0.00 C ATOM 818 CG LEU A 53 5.038 -0.460 5.480 1.00 0.00 C ATOM 819 CD1 LEU A 53 5.910 0.641 4.933 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.622 -1.799 5.105 1.00 0.00 C ATOM 0 H LEU A 53 5.798 -2.378 8.132 1.00 0.00 H new ATOM 0 HA LEU A 53 6.924 0.031 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.163 -1.076 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.331 0.660 7.177 1.00 0.00 H new ATOM 0 HG LEU A 53 4.044 -0.403 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.038 0.504 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.439 1.606 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.884 0.611 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.737 -1.855 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.596 -1.917 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.956 -2.594 5.441 1.00 0.00 H new ATOM 832 N LEU A 54 5.107 0.122 10.018 1.00 0.00 N ATOM 833 CA LEU A 54 4.801 0.879 11.218 1.00 0.00 C ATOM 834 C LEU A 54 6.072 1.282 11.965 1.00 0.00 C ATOM 835 O LEU A 54 6.180 2.418 12.458 1.00 0.00 O ATOM 836 CB LEU A 54 3.834 0.087 12.105 1.00 0.00 C ATOM 837 CG LEU A 54 2.511 -0.310 11.431 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.545 -0.930 12.420 1.00 0.00 C ATOM 839 CD2 LEU A 54 1.879 0.867 10.689 1.00 0.00 C ATOM 0 H LEU A 54 4.637 -0.782 9.971 1.00 0.00 H new ATOM 0 HA LEU A 54 4.308 1.807 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.336 -0.818 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.609 0.680 12.991 1.00 0.00 H new ATOM 0 HG LEU A 54 2.745 -1.071 10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.621 -1.198 11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.992 -1.825 12.853 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.326 -0.214 13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.946 0.546 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.676 1.674 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.564 1.221 9.918 1.00 0.00 H new ATOM 851 N ASP A 55 7.046 0.378 11.984 1.00 0.00 N ATOM 852 CA ASP A 55 8.350 0.655 12.584 1.00 0.00 C ATOM 853 C ASP A 55 9.076 1.750 11.846 1.00 0.00 C ATOM 854 O ASP A 55 9.589 2.687 12.453 1.00 0.00 O ATOM 855 CB ASP A 55 9.256 -0.583 12.632 1.00 0.00 C ATOM 856 CG ASP A 55 8.819 -1.620 13.618 1.00 0.00 C ATOM 857 OD1 ASP A 55 8.454 -1.252 14.756 1.00 0.00 O ATOM 858 OD2 ASP A 55 8.909 -2.822 13.316 1.00 0.00 O ATOM 0 H ASP A 55 6.958 -0.558 11.589 1.00 0.00 H new ATOM 0 HA ASP A 55 8.138 0.972 13.605 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.292 -1.033 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.271 -0.269 12.877 1.00 0.00 H new ATOM 863 N SER A 56 9.085 1.658 10.544 1.00 0.00 N ATOM 864 CA SER A 56 9.828 2.584 9.728 1.00 0.00 C ATOM 865 C SER A 56 9.085 3.917 9.526 1.00 0.00 C ATOM 866 O SER A 56 9.715 4.967 9.326 1.00 0.00 O ATOM 867 CB SER A 56 10.217 1.920 8.404 1.00 0.00 C ATOM 868 OG SER A 56 9.093 1.335 7.763 1.00 0.00 O ATOM 0 H SER A 56 8.581 0.943 10.019 1.00 0.00 H new ATOM 0 HA SER A 56 10.745 2.843 10.257 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.669 2.660 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.971 1.155 8.588 1.00 0.00 H new ATOM 0 HG SER A 56 8.891 0.472 8.181 1.00 0.00 H new ATOM 874 N ILE A 57 7.763 3.862 9.569 1.00 0.00 N ATOM 875 CA ILE A 57 6.921 5.031 9.453 1.00 0.00 C ATOM 876 C ILE A 57 7.205 5.984 10.589 1.00 0.00 C ATOM 877 O ILE A 57 7.544 7.153 10.336 1.00 0.00 O ATOM 878 CB ILE A 57 5.388 4.678 9.430 1.00 0.00 C ATOM 879 CG1 ILE A 57 4.997 3.879 8.167 1.00 0.00 C ATOM 880 CG2 ILE A 57 4.509 5.914 9.589 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.408 4.508 6.855 1.00 0.00 C ATOM 0 H ILE A 57 7.244 2.992 9.687 1.00 0.00 H new ATOM 0 HA ILE A 57 7.159 5.500 8.498 1.00 0.00 H new ATOM 0 HB ILE A 57 5.209 4.038 10.294 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.443 2.887 8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.916 3.742 8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.460 5.620 9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.730 6.398 10.540 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.708 6.609 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.088 3.871 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.941 5.488 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.492 4.619 6.828 1.00 0.00 H new ATOM 893 N LYS A 58 7.075 5.478 11.840 1.00 0.00 N ATOM 894 CA LYS A 58 7.294 6.266 13.073 1.00 0.00 C ATOM 895 C LYS A 58 6.228 7.351 13.284 1.00 0.00 C ATOM 896 O LYS A 58 5.499 7.335 14.271 1.00 0.00 O ATOM 897 CB LYS A 58 8.725 6.877 13.088 1.00 0.00 C ATOM 898 CG LYS A 58 8.955 8.017 14.084 1.00 0.00 C ATOM 899 CD LYS A 58 8.634 7.624 15.522 1.00 0.00 C ATOM 900 CE LYS A 58 8.780 8.814 16.452 1.00 0.00 C ATOM 901 NZ LYS A 58 8.369 8.506 17.832 1.00 0.00 N ATOM 0 H LYS A 58 6.814 4.508 12.020 1.00 0.00 H new ATOM 0 HA LYS A 58 7.200 5.575 13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.437 6.081 13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.953 7.243 12.087 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.994 8.340 14.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.339 8.870 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.617 7.235 15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.300 6.823 15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.818 9.146 16.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.180 9.642 16.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.488 9.351 18.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.371 8.215 17.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.958 7.734 18.206 1.00 0.00 H new ATOM 915 N GLU A 59 6.171 8.250 12.346 1.00 0.00 N ATOM 916 CA GLU A 59 5.351 9.430 12.355 1.00 0.00 C ATOM 917 C GLU A 59 3.894 9.168 12.659 1.00 0.00 C ATOM 918 O GLU A 59 3.376 9.732 13.595 1.00 0.00 O ATOM 919 CB GLU A 59 5.532 10.129 11.033 1.00 0.00 C ATOM 920 CG GLU A 59 6.940 10.658 10.869 1.00 0.00 C ATOM 921 CD GLU A 59 7.167 11.890 11.695 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.459 11.775 12.890 1.00 0.00 O ATOM 923 OE2 GLU A 59 7.019 13.005 11.158 1.00 0.00 O ATOM 0 H GLU A 59 6.732 8.175 11.498 1.00 0.00 H new ATOM 0 HA GLU A 59 5.680 10.068 13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.306 9.437 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.822 10.953 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.655 9.888 11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.124 10.884 9.819 1.00 0.00 H new ATOM 930 N LYS A 60 3.233 8.324 11.843 1.00 0.00 N ATOM 931 CA LYS A 60 1.798 7.966 12.017 1.00 0.00 C ATOM 932 C LYS A 60 0.859 9.166 11.713 1.00 0.00 C ATOM 933 O LYS A 60 -0.354 9.032 11.728 1.00 0.00 O ATOM 934 CB LYS A 60 1.501 7.427 13.451 1.00 0.00 C ATOM 935 CG LYS A 60 2.393 6.275 13.939 1.00 0.00 C ATOM 936 CD LYS A 60 2.284 5.033 13.075 1.00 0.00 C ATOM 937 CE LYS A 60 3.154 3.900 13.615 1.00 0.00 C ATOM 938 NZ LYS A 60 2.745 3.477 14.972 1.00 0.00 N ATOM 0 H LYS A 60 3.672 7.868 11.043 1.00 0.00 H new ATOM 0 HA LYS A 60 1.597 7.173 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.594 8.254 14.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.463 7.095 13.485 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.431 6.609 13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.122 6.022 14.964 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.245 4.707 13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.585 5.270 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.098 3.047 12.938 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.195 4.222 13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.342 2.684 15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.856 4.273 15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.750 3.176 14.957 1.00 0.00 H new ATOM 952 N TYR A 61 1.431 10.324 11.434 1.00 0.00 N ATOM 953 CA TYR A 61 0.654 11.534 11.195 1.00 0.00 C ATOM 954 C TYR A 61 0.731 11.952 9.748 1.00 0.00 C ATOM 955 O TYR A 61 0.719 13.144 9.405 1.00 0.00 O ATOM 956 CB TYR A 61 1.132 12.652 12.112 1.00 0.00 C ATOM 957 CG TYR A 61 1.003 12.308 13.570 1.00 0.00 C ATOM 958 CD1 TYR A 61 -0.227 11.965 14.107 1.00 0.00 C ATOM 959 CD2 TYR A 61 2.100 12.330 14.406 1.00 0.00 C ATOM 960 CE1 TYR A 61 -0.359 11.656 15.443 1.00 0.00 C ATOM 961 CE2 TYR A 61 1.983 12.016 15.744 1.00 0.00 C ATOM 962 CZ TYR A 61 0.750 11.681 16.257 1.00 0.00 C ATOM 963 OH TYR A 61 0.624 11.378 17.598 1.00 0.00 O ATOM 0 H TYR A 61 2.440 10.455 11.366 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.391 11.323 11.420 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.175 12.878 11.888 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.558 13.555 11.905 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.097 11.939 13.468 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.067 12.598 14.006 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.326 11.396 15.848 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.852 12.033 16.385 1.00 0.00 H new ATOM 0 HH TYR A 61 1.501 11.441 18.031 1.00 0.00 H new ATOM 973 N ASN A 62 0.749 10.983 8.902 1.00 0.00 N ATOM 974 CA ASN A 62 0.777 11.207 7.471 1.00 0.00 C ATOM 975 C ASN A 62 -0.139 10.211 6.832 1.00 0.00 C ATOM 976 O ASN A 62 -0.906 9.552 7.522 1.00 0.00 O ATOM 977 CB ASN A 62 2.176 11.013 6.848 1.00 0.00 C ATOM 978 CG ASN A 62 3.268 11.921 7.344 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.390 13.042 6.905 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.130 11.402 8.170 1.00 0.00 N ATOM 0 H ASN A 62 0.745 9.999 9.170 1.00 0.00 H new ATOM 0 HA ASN A 62 0.477 12.241 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.486 9.982 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.089 11.143 5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.941 11.944 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.994 10.453 8.519 1.00 0.00 H new ATOM 987 N SER A 63 -0.047 10.110 5.536 1.00 0.00 N ATOM 988 CA SER A 63 -0.771 9.153 4.750 1.00 0.00 C ATOM 989 C SER A 63 0.124 8.812 3.569 1.00 0.00 C ATOM 990 O SER A 63 0.608 9.714 2.880 1.00 0.00 O ATOM 991 CB SER A 63 -2.120 9.720 4.273 1.00 0.00 C ATOM 992 OG SER A 63 -2.920 10.176 5.361 1.00 0.00 O ATOM 0 H SER A 63 0.556 10.714 4.978 1.00 0.00 H new ATOM 0 HA SER A 63 -1.008 8.267 5.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.943 10.544 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.662 8.952 3.721 1.00 0.00 H new ATOM 0 HG SER A 63 -3.767 10.530 5.018 1.00 0.00 H new ATOM 998 N PHE A 64 0.407 7.549 3.395 1.00 0.00 N ATOM 999 CA PHE A 64 1.312 7.094 2.362 1.00 0.00 C ATOM 1000 C PHE A 64 0.582 6.106 1.487 1.00 0.00 C ATOM 1001 O PHE A 64 0.130 5.063 1.977 1.00 0.00 O ATOM 1002 CB PHE A 64 2.520 6.385 2.983 1.00 0.00 C ATOM 1003 CG PHE A 64 2.971 6.948 4.296 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.823 8.021 4.363 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.510 6.393 5.468 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.204 8.528 5.580 1.00 0.00 C ATOM 1007 CE2 PHE A 64 2.871 6.881 6.680 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.724 7.960 6.748 1.00 0.00 C ATOM 0 H PHE A 64 0.017 6.799 3.966 1.00 0.00 H new ATOM 0 HA PHE A 64 1.655 7.953 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.275 5.332 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.351 6.430 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.196 8.469 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.842 5.545 5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.878 9.370 5.627 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.493 6.428 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.017 8.361 7.707 1.00 0.00 H new ATOM 1018 N TRP A 65 0.442 6.438 0.235 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.241 5.610 -0.735 1.00 0.00 C ATOM 1020 C TRP A 65 0.450 4.266 -0.902 1.00 0.00 C ATOM 1021 O TRP A 65 1.690 4.202 -1.012 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.252 6.289 -2.114 1.00 0.00 C ATOM 1023 CG TRP A 65 -0.941 7.623 -2.197 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.365 8.825 -2.509 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.332 7.890 -1.985 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.315 9.816 -2.517 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.529 9.266 -2.198 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.434 7.097 -1.643 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.769 9.858 -2.080 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.665 7.694 -1.526 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.823 9.062 -1.747 1.00 0.00 C ATOM 0 H TRP A 65 0.805 7.308 -0.154 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.256 5.466 -0.364 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.780 6.417 -2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.729 5.613 -2.824 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.684 8.972 -2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.145 10.800 -2.726 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.318 6.037 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.900 10.917 -2.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.523 7.095 -1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.805 9.501 -1.652 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.327 3.204 -0.894 1.00 0.00 N ATOM 1043 CA ILE A 66 0.199 1.912 -1.260 1.00 0.00 C ATOM 1044 C ILE A 66 -0.562 1.473 -2.505 1.00 0.00 C ATOM 1045 O ILE A 66 -1.574 2.099 -2.830 1.00 0.00 O ATOM 1046 CB ILE A 66 0.185 0.805 -0.121 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.235 0.338 0.298 1.00 0.00 C ATOM 1048 CG2 ILE A 66 0.962 1.303 1.114 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.942 1.215 1.311 1.00 0.00 C ATOM 0 H ILE A 66 -1.315 3.211 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 66 1.267 2.021 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 66 0.674 -0.069 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.855 0.275 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.160 -0.670 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.945 0.536 1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.994 1.514 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.497 2.212 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.924 0.797 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.353 1.261 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.058 2.220 0.904 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.135 0.424 -3.185 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.729 0.060 -4.479 1.00 0.00 C ATOM 1063 C GLY A 67 -2.104 -0.594 -4.402 1.00 0.00 C ATOM 1064 O GLY A 67 -2.415 -1.469 -5.199 1.00 0.00 O ATOM 0 H GLY A 67 0.615 -0.193 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.806 0.959 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.050 -0.619 -4.994 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.914 -0.149 -3.478 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.240 -0.664 -3.291 1.00 0.00 C ATOM 1070 C LEU A 68 -5.249 0.180 -3.963 1.00 0.00 C ATOM 1071 O LEU A 68 -5.455 1.341 -3.585 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.611 -0.773 -1.816 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.119 -1.994 -1.089 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.457 -1.890 0.387 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.757 -3.239 -1.687 1.00 0.00 C ATOM 0 H LEU A 68 -2.665 0.594 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.237 -1.660 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.227 0.108 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.697 -0.742 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.037 -2.063 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.097 -2.778 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.980 -1.005 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.537 -1.812 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.398 -4.122 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.841 -3.174 -1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.490 -3.314 -2.741 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.873 -0.374 -4.942 1.00 0.00 N ATOM 1088 CA ARG A 69 -6.967 0.274 -5.572 1.00 0.00 C ATOM 1089 C ARG A 69 -8.136 -0.650 -5.546 1.00 0.00 C ATOM 1090 O ARG A 69 -7.969 -1.874 -5.673 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.644 0.729 -7.000 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.096 -0.347 -7.914 1.00 0.00 C ATOM 1093 CD ARG A 69 -5.863 0.211 -9.300 1.00 0.00 C ATOM 1094 NE ARG A 69 -5.235 -0.757 -10.187 1.00 0.00 N ATOM 1095 CZ ARG A 69 -4.462 -0.444 -11.229 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -4.305 0.828 -11.596 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -3.879 -1.409 -11.921 1.00 0.00 N ATOM 0 H ARG A 69 -5.639 -1.289 -5.328 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.198 1.186 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.551 1.136 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.921 1.543 -6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.162 -0.736 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.795 -1.182 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.815 0.527 -9.727 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.234 1.099 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.397 -1.746 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.777 1.570 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.713 1.059 -12.393 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.022 -2.384 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.287 -1.178 -12.719 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.288 -0.111 -5.302 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.470 -0.895 -5.315 1.00 0.00 C ATOM 1113 C TYR A 70 -10.914 -0.939 -6.754 1.00 0.00 C ATOM 1114 O TYR A 70 -11.269 0.090 -7.339 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.510 -0.231 -4.412 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.752 -1.035 -4.112 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -12.722 -2.417 -4.002 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.944 -0.394 -3.880 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -13.851 -3.125 -3.668 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.084 -1.083 -3.558 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.032 -2.456 -3.451 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.156 -3.167 -3.082 1.00 0.00 O ATOM 0 H TYR A 70 -9.430 0.877 -5.090 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.320 -1.907 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.030 0.021 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.815 0.708 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.797 -2.945 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.984 0.683 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.811 -4.200 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.012 -0.556 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.898 -4.076 -2.823 1.00 0.00 H new ATOM 1132 N THR A 71 -10.850 -2.090 -7.330 1.00 0.00 N ATOM 1133 CA THR A 71 -11.110 -2.237 -8.711 1.00 0.00 C ATOM 1134 C THR A 71 -12.569 -2.523 -8.981 1.00 0.00 C ATOM 1135 O THR A 71 -13.099 -3.547 -8.577 1.00 0.00 O ATOM 1136 CB THR A 71 -10.174 -3.307 -9.312 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.111 -4.453 -8.430 1.00 0.00 O ATOM 1138 CG2 THR A 71 -8.775 -2.731 -9.476 1.00 0.00 C ATOM 0 H THR A 71 -10.614 -2.958 -6.849 1.00 0.00 H new ATOM 0 HA THR A 71 -10.897 -1.291 -9.209 1.00 0.00 H new ATOM 0 HB THR A 71 -10.563 -3.612 -10.284 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.123 -5.276 -8.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.117 -3.489 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.812 -1.869 -10.142 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.392 -2.422 -8.503 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.247 -1.575 -9.573 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.622 -1.761 -9.942 1.00 0.00 C ATOM 1148 C LEU A 72 -14.775 -1.587 -11.443 1.00 0.00 C ATOM 1149 O LEU A 72 -14.105 -0.739 -12.028 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.547 -0.791 -9.199 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.490 -0.820 -7.666 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -16.559 0.068 -7.089 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -15.649 -2.226 -7.139 1.00 0.00 C ATOM 0 H LEU A 72 -12.864 -0.660 -9.811 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.914 -2.772 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.314 0.221 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.573 -0.997 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.511 -0.450 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.508 0.039 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.406 1.091 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.538 -0.282 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.604 -2.214 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.611 -2.628 -7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.847 -2.853 -7.528 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.585 -2.416 -12.104 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.253 -3.535 -11.478 1.00 0.00 C ATOM 1167 C PRO A 73 -15.343 -4.766 -11.463 1.00 0.00 C ATOM 1168 O PRO A 73 -14.812 -5.189 -12.499 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.483 -3.746 -12.350 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.108 -3.241 -13.706 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.933 -2.300 -13.532 1.00 0.00 C ATOM 0 HA PRO A 73 -16.513 -3.358 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.761 -4.799 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.342 -3.204 -11.954 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.842 -4.069 -14.364 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.949 -2.724 -14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.097 -2.585 -14.170 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.200 -1.276 -13.795 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.184 -5.316 -10.295 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.258 -6.418 -10.009 1.00 0.00 C ATOM 1181 C ASP A 74 -14.440 -6.723 -8.533 1.00 0.00 C ATOM 1182 O ASP A 74 -14.358 -7.858 -8.095 1.00 0.00 O ATOM 1183 CB ASP A 74 -12.804 -5.980 -10.331 1.00 0.00 C ATOM 1184 CG ASP A 74 -11.750 -7.052 -10.195 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -11.881 -8.119 -10.827 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -10.709 -6.792 -9.570 1.00 0.00 O ATOM 0 H ASP A 74 -15.706 -5.012 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.455 -7.302 -10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.777 -5.598 -11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.540 -5.152 -9.673 1.00 0.00 H new ATOM 1191 N MET A 75 -14.748 -5.642 -7.794 1.00 0.00 N ATOM 1192 CA MET A 75 -15.147 -5.647 -6.397 1.00 0.00 C ATOM 1193 C MET A 75 -14.157 -6.278 -5.454 1.00 0.00 C ATOM 1194 O MET A 75 -14.534 -6.914 -4.474 1.00 0.00 O ATOM 1195 CB MET A 75 -16.564 -6.192 -6.212 1.00 0.00 C ATOM 1196 CG MET A 75 -17.656 -5.264 -6.752 1.00 0.00 C ATOM 1197 SD MET A 75 -17.728 -5.116 -8.561 1.00 0.00 S ATOM 1198 CE MET A 75 -18.329 -6.752 -9.008 1.00 0.00 C ATOM 0 H MET A 75 -14.720 -4.700 -8.185 1.00 0.00 H new ATOM 0 HA MET A 75 -15.155 -4.597 -6.105 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.640 -7.158 -6.712 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.741 -6.367 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 75 -18.622 -5.621 -6.395 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.507 -4.271 -6.329 1.00 0.00 H new ATOM 0 HE1 MET A 75 -18.629 -6.756 -10.056 1.00 0.00 H new ATOM 0 HE2 MET A 75 -17.537 -7.485 -8.854 1.00 0.00 H new ATOM 0 HE3 MET A 75 -19.186 -7.008 -8.385 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.905 -6.046 -5.711 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.849 -6.498 -4.842 1.00 0.00 C ATOM 1210 C ASN A 76 -10.779 -5.456 -4.805 1.00 0.00 C ATOM 1211 O ASN A 76 -10.766 -4.545 -5.634 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.234 -7.853 -5.280 1.00 0.00 C ATOM 1213 CG ASN A 76 -12.155 -9.054 -5.088 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -12.882 -9.457 -5.991 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -12.149 -9.619 -3.907 1.00 0.00 N ATOM 0 H ASN A 76 -12.581 -5.536 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.284 -6.656 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.955 -7.789 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.316 -8.021 -4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.759 -10.415 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.534 -9.263 -3.175 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.918 -5.546 -3.838 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.784 -4.683 -3.771 1.00 0.00 C ATOM 1224 C TRP A 77 -7.651 -5.414 -4.379 1.00 0.00 C ATOM 1225 O TRP A 77 -7.345 -6.561 -3.993 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.449 -4.297 -2.354 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.472 -3.446 -1.706 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.632 -3.857 -1.139 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.419 -2.028 -1.546 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.304 -2.779 -0.639 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.583 -1.646 -0.874 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.496 -1.044 -1.907 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.861 -0.320 -0.548 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.768 0.270 -1.585 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.942 0.622 -0.912 1.00 0.00 C ATOM 0 H TRP A 77 -9.983 -6.220 -3.075 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.997 -3.755 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.317 -5.203 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.495 -3.770 -2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.973 -4.881 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.206 -2.816 -0.163 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.587 -1.306 -2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.768 -0.048 -0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.062 1.040 -1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.126 1.660 -0.675 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.034 -4.811 -5.307 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.053 -5.481 -6.047 1.00 0.00 C ATOM 1248 C LYS A 78 -4.892 -4.548 -6.212 1.00 0.00 C ATOM 1249 O LYS A 78 -5.070 -3.302 -6.163 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.701 -5.867 -7.364 1.00 0.00 C ATOM 1251 CG LYS A 78 -6.054 -6.997 -8.142 1.00 0.00 C ATOM 1252 CD LYS A 78 -6.991 -7.437 -9.278 1.00 0.00 C ATOM 1253 CE LYS A 78 -7.375 -6.273 -10.189 1.00 0.00 C ATOM 1254 NZ LYS A 78 -8.495 -6.600 -11.079 1.00 0.00 N ATOM 0 H LYS A 78 -7.193 -3.840 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.676 -6.385 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.737 -6.142 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.723 -4.984 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.097 -6.671 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.848 -7.838 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.505 -8.214 -9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.893 -7.877 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.641 -5.410 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.511 -5.985 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.848 -5.730 -11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.173 -7.261 -11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.259 -7.041 -10.528 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.720 -5.106 -6.345 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.545 -4.307 -6.447 1.00 0.00 C ATOM 1270 C TRP A 79 -2.163 -4.154 -7.893 1.00 0.00 C ATOM 1271 O TRP A 79 -2.638 -4.894 -8.761 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.363 -4.922 -5.724 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.599 -5.406 -4.339 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -1.966 -6.650 -3.987 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.448 -4.683 -3.127 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.073 -6.756 -2.643 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -1.769 -5.564 -2.084 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.085 -3.383 -2.816 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.738 -5.188 -0.761 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -1.054 -3.011 -1.497 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.380 -3.909 -0.489 1.00 0.00 C ATOM 0 H TRP A 79 -3.560 -6.113 -6.385 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.777 -3.346 -5.988 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.000 -5.760 -6.319 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.562 -4.183 -5.693 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.150 -7.455 -4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.340 -7.599 -2.134 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.832 -2.679 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -1.988 -5.882 0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.771 -2.002 -1.237 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.347 -3.580 0.539 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.258 -3.255 -8.133 1.00 0.00 N ATOM 1293 CA ILE A 80 -0.775 -2.956 -9.469 1.00 0.00 C ATOM 1294 C ILE A 80 0.206 -4.036 -9.978 1.00 0.00 C ATOM 1295 O ILE A 80 0.379 -4.206 -11.167 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.065 -1.587 -9.489 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.154 -1.629 -8.560 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -1.036 -0.489 -9.045 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.022 -0.410 -8.627 1.00 0.00 C ATOM 0 H ILE A 80 -0.820 -2.693 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.644 -2.936 -10.127 1.00 0.00 H new ATOM 0 HB ILE A 80 0.269 -1.366 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.810 -1.760 -7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.756 -2.503 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.527 0.475 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.889 -0.461 -9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.384 -0.698 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.860 -0.522 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.399 -0.287 -9.642 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.439 0.468 -8.348 1.00 0.00 H new ATOM 1311 N ASN A 81 0.806 -4.779 -9.055 1.00 0.00 N ATOM 1312 CA ASN A 81 1.821 -5.805 -9.396 1.00 0.00 C ATOM 1313 C ASN A 81 1.144 -7.081 -9.910 1.00 0.00 C ATOM 1314 O ASN A 81 1.797 -7.985 -10.428 1.00 0.00 O ATOM 1315 CB ASN A 81 2.708 -6.124 -8.163 1.00 0.00 C ATOM 1316 CG ASN A 81 1.941 -6.837 -7.059 1.00 0.00 C ATOM 1317 OD1 ASN A 81 0.727 -6.717 -6.974 1.00 0.00 O ATOM 1318 ND2 ASN A 81 2.625 -7.475 -6.156 1.00 0.00 N ATOM 0 H ASN A 81 0.615 -4.700 -8.056 1.00 0.00 H new ATOM 0 HA ASN A 81 2.457 -5.408 -10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.548 -6.744 -8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.125 -5.197 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.150 -7.889 -5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.637 -7.562 -6.249 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.167 -7.132 -9.747 1.00 0.00 N ATOM 1326 CA GLY A 82 -0.954 -8.248 -10.228 1.00 0.00 C ATOM 1327 C GLY A 82 -1.383 -9.138 -9.100 1.00 0.00 C ATOM 1328 O GLY A 82 -2.075 -10.138 -9.299 1.00 0.00 O ATOM 0 H GLY A 82 -0.710 -6.405 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.833 -7.876 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.371 -8.824 -10.947 1.00 0.00 H new ATOM 1332 N SER A 83 -0.987 -8.771 -7.922 1.00 0.00 N ATOM 1333 CA SER A 83 -1.382 -9.455 -6.745 1.00 0.00 C ATOM 1334 C SER A 83 -2.734 -8.988 -6.253 1.00 0.00 C ATOM 1335 O SER A 83 -3.246 -7.925 -6.647 1.00 0.00 O ATOM 1336 CB SER A 83 -0.362 -9.248 -5.651 1.00 0.00 C ATOM 1337 OG SER A 83 0.797 -10.038 -5.846 1.00 0.00 O ATOM 0 H SER A 83 -0.371 -7.975 -7.755 1.00 0.00 H new ATOM 0 HA SER A 83 -1.451 -10.514 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.081 -8.196 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.809 -9.493 -4.688 1.00 0.00 H new ATOM 0 HG SER A 83 0.704 -10.882 -5.357 1.00 0.00 H new ATOM 1343 N THR A 84 -3.279 -9.770 -5.393 1.00 0.00 N ATOM 1344 CA THR A 84 -4.514 -9.504 -4.750 1.00 0.00 C ATOM 1345 C THR A 84 -4.215 -9.085 -3.296 1.00 0.00 C ATOM 1346 O THR A 84 -3.215 -9.532 -2.715 1.00 0.00 O ATOM 1347 CB THR A 84 -5.325 -10.798 -4.769 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.527 -11.192 -6.142 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.663 -10.669 -4.068 1.00 0.00 C ATOM 0 H THR A 84 -2.857 -10.653 -5.105 1.00 0.00 H new ATOM 0 HA THR A 84 -5.070 -8.709 -5.246 1.00 0.00 H new ATOM 0 HB THR A 84 -4.761 -11.554 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.285 -11.811 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 84 -7.192 -11.621 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.503 -10.395 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.258 -9.899 -4.559 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.025 -8.188 -2.758 1.00 0.00 N ATOM 1358 CA LEU A 85 -4.894 -7.716 -1.375 1.00 0.00 C ATOM 1359 C LEU A 85 -4.923 -8.851 -0.365 1.00 0.00 C ATOM 1360 O LEU A 85 -5.701 -9.795 -0.497 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.036 -6.740 -1.028 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.204 -6.378 0.469 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -5.028 -5.582 1.007 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.506 -5.650 0.709 1.00 0.00 C ATOM 0 H LEU A 85 -5.799 -7.760 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.926 -7.219 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.878 -5.817 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.973 -7.171 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.230 -7.318 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.194 -5.353 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.114 -6.167 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.930 -4.653 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.598 -5.408 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.522 -4.730 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.339 -6.286 0.408 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.057 -8.761 0.622 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.149 -9.620 1.760 1.00 0.00 C ATOM 1378 C ASN A 86 -5.041 -8.887 2.738 1.00 0.00 C ATOM 1379 O ASN A 86 -4.590 -8.013 3.482 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.780 -9.883 2.405 1.00 0.00 C ATOM 1381 CG ASN A 86 -2.828 -10.966 3.483 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.842 -11.178 4.132 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -1.734 -11.641 3.684 1.00 0.00 N ATOM 0 H ASN A 86 -3.283 -8.097 0.650 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.540 -10.596 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.071 -10.178 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.407 -8.957 2.843 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.708 -12.369 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.903 -11.443 3.127 1.00 0.00 H new ATOM 1390 N SER A 87 -6.305 -9.192 2.687 1.00 0.00 N ATOM 1391 CA SER A 87 -7.317 -8.518 3.476 1.00 0.00 C ATOM 1392 C SER A 87 -7.147 -8.820 4.962 1.00 0.00 C ATOM 1393 O SER A 87 -7.649 -8.106 5.833 1.00 0.00 O ATOM 1394 CB SER A 87 -8.671 -9.004 3.003 1.00 0.00 C ATOM 1395 OG SER A 87 -8.759 -8.950 1.580 1.00 0.00 O ATOM 0 H SER A 87 -6.677 -9.929 2.087 1.00 0.00 H new ATOM 0 HA SER A 87 -7.224 -7.440 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.835 -10.026 3.344 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.457 -8.391 3.444 1.00 0.00 H new ATOM 0 HG SER A 87 -9.640 -9.270 1.294 1.00 0.00 H new ATOM 1401 N ASP A 88 -6.412 -9.853 5.234 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.188 -10.341 6.564 1.00 0.00 C ATOM 1403 C ASP A 88 -5.160 -9.512 7.322 1.00 0.00 C ATOM 1404 O ASP A 88 -4.818 -9.842 8.462 1.00 0.00 O ATOM 1405 CB ASP A 88 -5.752 -11.798 6.521 1.00 0.00 C ATOM 1406 CG ASP A 88 -6.775 -12.701 5.876 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -6.791 -12.820 4.617 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -7.563 -13.341 6.607 1.00 0.00 O ATOM 0 H ASP A 88 -5.935 -10.399 4.516 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.133 -10.255 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.812 -11.874 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.559 -12.144 7.536 1.00 0.00 H new ATOM 1413 N VAL A 89 -4.627 -8.453 6.712 1.00 0.00 N ATOM 1414 CA VAL A 89 -3.658 -7.668 7.404 1.00 0.00 C ATOM 1415 C VAL A 89 -4.282 -6.685 8.404 1.00 0.00 C ATOM 1416 O VAL A 89 -4.034 -6.808 9.590 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.598 -6.977 6.475 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -1.852 -8.012 5.665 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.204 -5.934 5.549 1.00 0.00 C ATOM 0 H VAL A 89 -4.854 -8.142 5.768 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.094 -8.396 7.988 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.906 -6.453 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.121 -7.516 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.339 -8.700 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.557 -8.567 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.419 -5.494 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.947 -6.406 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.680 -5.154 6.142 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.147 -5.775 7.944 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.690 -4.693 8.792 1.00 0.00 C ATOM 1431 C LEU A 90 -7.012 -4.214 8.238 1.00 0.00 C ATOM 1432 O LEU A 90 -7.499 -4.786 7.262 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.711 -3.516 8.872 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.383 -3.786 9.570 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.456 -2.600 9.405 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.596 -4.065 11.057 1.00 0.00 C ATOM 0 H LEU A 90 -5.492 -5.761 6.984 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.838 -5.092 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.501 -3.177 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.207 -2.693 9.387 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.932 -4.666 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.511 -2.804 9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.273 -2.426 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.916 -1.715 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.634 -4.255 11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.069 -3.202 11.525 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.238 -4.938 11.175 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.602 -3.189 8.870 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.896 -2.674 8.437 1.00 0.00 C ATOM 1450 C LYS A 91 -8.882 -2.069 7.055 1.00 0.00 C ATOM 1451 O LYS A 91 -8.119 -1.149 6.760 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.542 -1.662 9.384 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.769 -0.360 9.609 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.704 0.746 10.098 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.004 2.094 10.167 1.00 0.00 C ATOM 1456 NZ LYS A 91 -9.918 3.181 10.574 1.00 0.00 N ATOM 0 H LYS A 91 -7.202 -2.708 9.676 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.501 -3.580 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.530 -1.412 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.691 -2.144 10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.977 -0.523 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.288 -0.052 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.562 0.817 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.088 0.486 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.176 2.035 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.575 2.329 9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.396 4.080 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.695 3.257 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.308 2.973 11.515 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.734 -2.595 6.236 1.00 0.00 N ATOM 1471 CA ILE A 92 -10.016 -2.157 4.895 1.00 0.00 C ATOM 1472 C ILE A 92 -11.442 -2.667 4.691 1.00 0.00 C ATOM 1473 O ILE A 92 -11.809 -3.633 5.351 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.069 -2.872 3.856 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.598 -2.705 4.279 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.298 -2.339 2.448 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.565 -3.118 3.255 1.00 0.00 C ATOM 0 H ILE A 92 -10.297 -3.403 6.501 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.882 -1.084 4.758 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.308 -3.936 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.430 -1.659 4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.433 -3.285 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.632 -2.850 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.333 -2.517 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.093 -1.269 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.566 -2.957 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.693 -4.173 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.690 -2.522 2.351 1.00 0.00 H new ATOM 1489 N THR A 93 -12.253 -2.047 3.897 1.00 0.00 N ATOM 1490 CA THR A 93 -13.583 -2.588 3.679 1.00 0.00 C ATOM 1491 C THR A 93 -13.573 -3.341 2.357 1.00 0.00 C ATOM 1492 O THR A 93 -13.007 -2.854 1.394 1.00 0.00 O ATOM 1493 CB THR A 93 -14.633 -1.473 3.632 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.476 -0.613 4.779 1.00 0.00 O ATOM 1495 CG2 THR A 93 -16.037 -2.063 3.653 1.00 0.00 C ATOM 0 H THR A 93 -12.040 -1.186 3.393 1.00 0.00 H new ATOM 0 HA THR A 93 -13.844 -3.253 4.502 1.00 0.00 H new ATOM 0 HB THR A 93 -14.493 -0.905 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.737 0.011 4.621 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.771 -1.258 3.619 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.171 -2.713 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 93 -16.175 -2.641 4.567 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.224 -4.491 2.286 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.119 -5.288 1.095 1.00 0.00 C ATOM 1505 C GLY A 94 -15.113 -4.851 0.076 1.00 0.00 C ATOM 1506 O GLY A 94 -14.812 -4.743 -1.107 1.00 0.00 O ATOM 0 H GLY A 94 -14.814 -4.878 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.112 -5.207 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.280 -6.338 1.339 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.284 -4.577 0.529 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.306 -4.060 -0.306 1.00 0.00 C ATOM 1512 C ASP A 95 -17.747 -2.744 0.238 1.00 0.00 C ATOM 1513 O ASP A 95 -18.278 -2.653 1.340 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.470 -5.046 -0.558 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.114 -5.583 0.698 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -18.612 -6.594 1.243 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.126 -5.022 1.165 1.00 0.00 O ATOM 0 H ASP A 95 -16.562 -4.707 1.502 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.893 -3.909 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.231 -4.546 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.099 -5.884 -1.149 1.00 0.00 H new ATOM 1522 N THR A 96 -17.451 -1.710 -0.495 1.00 0.00 N ATOM 1523 CA THR A 96 -17.725 -0.377 -0.030 1.00 0.00 C ATOM 1524 C THR A 96 -18.353 0.502 -1.125 1.00 0.00 C ATOM 1525 O THR A 96 -18.781 1.623 -0.849 1.00 0.00 O ATOM 1526 CB THR A 96 -16.421 0.269 0.564 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.652 1.584 1.042 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.295 0.304 -0.460 1.00 0.00 C ATOM 0 H THR A 96 -17.020 -1.762 -1.418 1.00 0.00 H new ATOM 0 HA THR A 96 -18.466 -0.444 0.766 1.00 0.00 H new ATOM 0 HB THR A 96 -16.124 -0.363 1.401 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.819 1.951 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.410 0.757 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 96 -15.061 -0.712 -0.778 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.607 0.892 -1.323 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.415 -0.023 -2.371 1.00 0.00 N ATOM 1537 CA GLU A 97 -19.021 0.695 -3.518 1.00 0.00 C ATOM 1538 C GLU A 97 -18.278 2.017 -3.829 1.00 0.00 C ATOM 1539 O GLU A 97 -18.836 2.933 -4.449 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.515 0.970 -3.242 1.00 0.00 C ATOM 1541 CG GLU A 97 -21.355 -0.274 -2.944 1.00 0.00 C ATOM 1542 CD GLU A 97 -21.376 -1.261 -4.082 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -22.206 -1.114 -4.999 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -20.574 -2.208 -4.079 1.00 0.00 O ATOM 0 H GLU A 97 -18.051 -0.946 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.929 0.055 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.593 1.654 -2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.941 1.480 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.963 -0.765 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -22.377 0.031 -2.717 1.00 0.00 H new ATOM 1551 N ASN A 98 -17.015 2.097 -3.438 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.234 3.307 -3.654 1.00 0.00 C ATOM 1553 C ASN A 98 -15.196 3.145 -4.745 1.00 0.00 C ATOM 1554 O ASN A 98 -14.937 2.060 -5.205 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.557 3.848 -2.370 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.492 4.604 -1.437 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -16.719 5.792 -1.625 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -16.973 3.975 -0.403 1.00 0.00 N ATOM 0 H ASN A 98 -16.511 1.343 -2.972 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.969 4.045 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.118 3.012 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.738 4.507 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -17.553 4.473 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -16.770 2.985 -0.268 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.600 4.256 -5.120 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.524 4.328 -6.145 1.00 0.00 C ATOM 1567 C ASP A 99 -12.192 4.545 -5.407 1.00 0.00 C ATOM 1568 O ASP A 99 -11.137 4.797 -5.984 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.840 5.523 -7.095 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.771 5.836 -8.136 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.692 5.142 -9.175 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -12.020 6.821 -7.952 1.00 0.00 O ATOM 0 H ASP A 99 -14.839 5.166 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.460 3.416 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.776 5.315 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.003 6.414 -6.488 1.00 0.00 H new ATOM 1577 N SER A 100 -12.285 4.362 -4.126 1.00 0.00 N ATOM 1578 CA SER A 100 -11.256 4.656 -3.172 1.00 0.00 C ATOM 1579 C SER A 100 -9.977 3.795 -3.345 1.00 0.00 C ATOM 1580 O SER A 100 -10.009 2.649 -3.833 1.00 0.00 O ATOM 1581 CB SER A 100 -11.858 4.467 -1.775 1.00 0.00 C ATOM 1582 OG SER A 100 -11.022 4.957 -0.768 1.00 0.00 O ATOM 0 H SER A 100 -13.127 3.983 -3.693 1.00 0.00 H new ATOM 0 HA SER A 100 -10.924 5.682 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.821 4.975 -1.725 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.048 3.407 -1.604 1.00 0.00 H new ATOM 0 HG SER A 100 -10.399 5.610 -1.149 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.873 4.384 -2.956 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.576 3.751 -2.911 1.00 0.00 C ATOM 1590 C CYS A 101 -7.070 3.864 -1.487 1.00 0.00 C ATOM 1591 O CYS A 101 -7.473 4.785 -0.764 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.628 4.421 -3.912 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.893 6.176 -4.100 1.00 0.00 S ATOM 0 H CYS A 101 -8.852 5.357 -2.650 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.636 2.700 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.600 4.251 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.743 3.940 -4.884 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.230 2.957 -1.054 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.833 2.965 0.332 1.00 0.00 C ATOM 1600 C ALA A 102 -4.407 3.480 0.557 1.00 0.00 C ATOM 1601 O ALA A 102 -3.521 3.368 -0.316 1.00 0.00 O ATOM 1602 CB ALA A 102 -6.098 1.608 1.007 1.00 0.00 C ATOM 0 H ALA A 102 -5.816 2.220 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.472 3.695 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.786 1.653 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.162 1.378 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.534 0.830 0.493 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.211 4.048 1.729 1.00 0.00 N ATOM 1609 CA ALA A 103 -2.963 4.612 2.171 1.00 0.00 C ATOM 1610 C ALA A 103 -2.752 4.284 3.653 1.00 0.00 C ATOM 1611 O ALA A 103 -3.719 4.120 4.406 1.00 0.00 O ATOM 1612 CB ALA A 103 -2.987 6.134 1.989 1.00 0.00 C ATOM 0 H ALA A 103 -4.952 4.130 2.425 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.150 4.190 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.040 6.556 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.137 6.372 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.802 6.558 2.576 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.513 4.158 4.049 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.149 3.969 5.452 1.00 0.00 C ATOM 1620 C ILE A 104 -1.218 5.323 6.104 1.00 0.00 C ATOM 1621 O ILE A 104 -0.697 6.272 5.555 1.00 0.00 O ATOM 1622 CB ILE A 104 0.318 3.430 5.581 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.422 1.972 5.123 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.890 3.604 7.015 1.00 0.00 C ATOM 1625 CD1 ILE A 104 -0.168 0.986 6.095 1.00 0.00 C ATOM 0 H ILE A 104 -0.715 4.182 3.414 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.822 3.249 5.918 1.00 0.00 H new ATOM 0 HB ILE A 104 0.931 4.039 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.081 1.866 4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.471 1.726 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.908 3.215 7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.896 4.662 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.268 3.057 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.057 -0.024 5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.351 1.062 7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.226 1.205 6.238 1.00 0.00 H new ATOM 1637 N SER A 105 -1.870 5.440 7.207 1.00 0.00 N ATOM 1638 CA SER A 105 -1.889 6.708 7.856 1.00 0.00 C ATOM 1639 C SER A 105 -1.153 6.603 9.175 1.00 0.00 C ATOM 1640 O SER A 105 -0.027 7.117 9.329 1.00 0.00 O ATOM 1641 CB SER A 105 -3.324 7.234 8.020 1.00 0.00 C ATOM 1642 OG SER A 105 -3.329 8.585 8.464 1.00 0.00 O ATOM 0 H SER A 105 -2.387 4.694 7.672 1.00 0.00 H new ATOM 0 HA SER A 105 -1.373 7.441 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.852 7.159 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.863 6.612 8.734 1.00 0.00 H new ATOM 0 HG SER A 105 -2.501 9.026 8.180 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.748 5.902 10.088 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.161 5.699 11.357 1.00 0.00 C ATOM 1650 C GLY A 106 -0.761 4.273 11.513 1.00 0.00 C ATOM 1651 O GLY A 106 0.246 3.843 10.962 1.00 0.00 O ATOM 0 H GLY A 106 -2.657 5.457 9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.290 6.344 11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.866 5.975 12.141 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.552 3.530 12.229 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.270 2.120 12.453 1.00 0.00 C ATOM 1657 C ASP A 107 -2.166 1.278 11.588 1.00 0.00 C ATOM 1658 O ASP A 107 -2.052 0.058 11.562 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.495 1.725 13.924 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.607 2.454 14.897 1.00 0.00 C ATOM 1661 OD1 ASP A 107 0.549 2.034 15.109 1.00 0.00 O ATOM 1662 OD2 ASP A 107 -1.056 3.454 15.498 1.00 0.00 O ATOM 0 H ASP A 107 -2.405 3.868 12.675 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.223 1.950 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.536 1.915 14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.330 0.653 14.031 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.069 1.927 10.880 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.052 1.222 10.104 1.00 0.00 C ATOM 1669 C LYS A 108 -3.977 1.628 8.649 1.00 0.00 C ATOM 1670 O LYS A 108 -3.341 2.632 8.289 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.470 1.524 10.621 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.670 1.354 12.121 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.344 -0.056 12.584 1.00 0.00 C ATOM 1674 CE LYS A 108 -5.519 -0.198 14.086 1.00 0.00 C ATOM 1675 NZ LYS A 108 -6.933 -0.031 14.501 1.00 0.00 N ATOM 0 H LYS A 108 -3.137 2.944 10.830 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.843 0.157 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.726 2.549 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.174 0.873 10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.039 2.065 12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.703 1.590 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.991 -0.768 12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.318 -0.303 12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.163 -1.179 14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.902 0.543 14.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.036 -0.301 15.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.215 0.963 14.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.541 -0.638 13.914 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.634 0.857 7.825 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.753 1.156 6.430 1.00 0.00 C ATOM 1691 C VAL A 109 -6.021 1.961 6.307 1.00 0.00 C ATOM 1692 O VAL A 109 -7.042 1.593 6.888 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.924 -0.124 5.577 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.681 0.163 4.110 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.052 -1.258 6.074 1.00 0.00 C ATOM 0 H VAL A 109 -5.104 -0.002 8.109 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.859 1.672 6.079 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.958 -0.451 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.808 -0.754 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.394 0.911 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.667 0.538 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.204 -2.136 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.005 -0.958 6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.318 -1.497 7.103 1.00 0.00 H new ATOM 1705 N THR A 110 -5.975 3.050 5.637 1.00 0.00 N ATOM 1706 CA THR A 110 -7.140 3.876 5.516 1.00 0.00 C ATOM 1707 C THR A 110 -7.344 4.233 4.061 1.00 0.00 C ATOM 1708 O THR A 110 -6.383 4.454 3.357 1.00 0.00 O ATOM 1709 CB THR A 110 -6.994 5.154 6.380 1.00 0.00 C ATOM 1710 OG1 THR A 110 -5.777 5.854 6.019 1.00 0.00 O ATOM 1711 CG2 THR A 110 -6.940 4.808 7.868 1.00 0.00 C ATOM 0 H THR A 110 -5.146 3.401 5.158 1.00 0.00 H new ATOM 0 HA THR A 110 -8.011 3.329 5.877 1.00 0.00 H new ATOM 0 HB THR A 110 -7.862 5.786 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.897 6.816 6.164 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.837 5.723 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.858 4.295 8.156 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.086 4.158 8.060 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.554 4.272 3.610 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.804 4.547 2.220 1.00 0.00 C ATOM 1721 C PHE A 111 -9.408 5.919 1.992 1.00 0.00 C ATOM 1722 O PHE A 111 -10.143 6.444 2.845 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.582 3.410 1.533 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.813 2.942 2.254 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -12.019 3.606 2.116 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.759 1.820 3.062 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -13.146 3.160 2.772 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.878 1.373 3.719 1.00 0.00 C ATOM 1729 CZ PHE A 111 -13.076 2.043 3.576 1.00 0.00 C ATOM 0 H PHE A 111 -9.388 4.118 4.176 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.832 4.580 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.870 3.741 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.912 2.560 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.078 4.483 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.825 1.290 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.083 3.685 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.821 0.497 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.957 1.693 4.093 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.063 6.499 0.861 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.473 7.831 0.474 1.00 0.00 C ATOM 1741 C GLU A 112 -9.431 7.987 -1.043 1.00 0.00 C ATOM 1742 O GLU A 112 -9.235 7.005 -1.773 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.605 8.888 1.180 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.113 8.627 1.130 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.365 9.555 2.039 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.223 10.750 1.709 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -5.920 9.124 3.118 1.00 0.00 O ATOM 0 H GLU A 112 -8.472 6.042 0.166 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.504 7.987 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.804 9.860 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.913 8.951 2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.913 7.595 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.755 8.749 0.108 1.00 0.00 H new ATOM 1754 N SER A 113 -9.693 9.177 -1.502 1.00 0.00 N ATOM 1755 CA SER A 113 -9.670 9.504 -2.898 1.00 0.00 C ATOM 1756 C SER A 113 -8.229 9.708 -3.358 1.00 0.00 C ATOM 1757 O SER A 113 -7.513 10.506 -2.786 1.00 0.00 O ATOM 1758 CB SER A 113 -10.486 10.766 -3.091 1.00 0.00 C ATOM 1759 OG SER A 113 -11.795 10.597 -2.558 1.00 0.00 O ATOM 0 H SER A 113 -9.934 9.965 -0.901 1.00 0.00 H new ATOM 0 HA SER A 113 -10.096 8.697 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.992 11.605 -2.600 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.547 11.009 -4.152 1.00 0.00 H new ATOM 0 HG SER A 113 -12.310 11.421 -2.688 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.841 8.985 -4.405 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.472 8.969 -5.005 1.00 0.00 C ATOM 1767 C CYS A 114 -5.884 10.362 -5.303 1.00 0.00 C ATOM 1768 O CYS A 114 -4.672 10.507 -5.522 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.517 8.171 -6.316 1.00 0.00 C ATOM 1770 SG CYS A 114 -6.980 6.430 -6.105 1.00 0.00 S ATOM 0 H CYS A 114 -8.484 8.362 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.821 8.513 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.227 8.645 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.538 8.221 -6.793 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.729 11.357 -5.307 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.353 12.709 -5.641 1.00 0.00 C ATOM 1777 C ASN A 115 -5.842 13.518 -4.444 1.00 0.00 C ATOM 1778 O ASN A 115 -5.348 14.639 -4.642 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.529 13.449 -6.289 1.00 0.00 C ATOM 1780 CG ASN A 115 -8.749 13.540 -5.387 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -8.896 14.472 -4.593 1.00 0.00 O ATOM 1782 ND2 ASN A 115 -9.641 12.599 -5.512 1.00 0.00 N ATOM 0 H ASN A 115 -7.717 11.252 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.525 12.622 -6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.211 14.455 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.805 12.941 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -10.488 12.621 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.492 11.840 -6.177 1.00 0.00 H new ATOM 1789 N SER A 116 -5.970 13.011 -3.219 1.00 0.00 N ATOM 1790 CA SER A 116 -5.498 13.767 -2.076 1.00 0.00 C ATOM 1791 C SER A 116 -3.958 13.864 -2.050 1.00 0.00 C ATOM 1792 O SER A 116 -3.250 12.958 -2.522 1.00 0.00 O ATOM 1793 CB SER A 116 -6.079 13.188 -0.772 1.00 0.00 C ATOM 1794 OG SER A 116 -5.972 11.787 -0.748 1.00 0.00 O ATOM 0 H SER A 116 -6.385 12.105 -3.002 1.00 0.00 H new ATOM 0 HA SER A 116 -5.860 14.791 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.552 13.611 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.126 13.477 -0.677 1.00 0.00 H new ATOM 0 HG SER A 116 -6.375 11.442 0.076 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.452 14.990 -1.569 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.015 15.202 -1.467 1.00 0.00 C ATOM 1802 C ASP A 117 -1.490 14.419 -0.296 1.00 0.00 C ATOM 1803 O ASP A 117 -1.705 14.790 0.867 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.703 16.688 -1.302 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.249 17.003 -1.189 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.452 16.960 -2.211 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.204 17.375 -0.078 1.00 0.00 O ATOM 0 H ASP A 117 -4.017 15.774 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.530 14.859 -2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.115 17.230 -2.153 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.213 17.057 -0.412 1.00 0.00 H new ATOM 1812 N ASN A 118 -0.881 13.315 -0.597 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.350 12.401 0.390 1.00 0.00 C ATOM 1814 C ASN A 118 0.987 11.935 -0.052 1.00 0.00 C ATOM 1815 O ASN A 118 1.403 12.232 -1.138 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.265 11.188 0.591 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.505 11.485 1.389 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.497 12.330 2.283 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.562 10.791 1.091 1.00 0.00 N ATOM 0 H ASN A 118 -0.731 13.008 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.280 12.931 1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.557 10.800 -0.385 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -0.703 10.400 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.430 10.937 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.524 10.100 0.342 1.00 0.00 H new ATOM 1826 N ARG A 119 1.635 11.185 0.760 1.00 0.00 N ATOM 1827 CA ARG A 119 2.963 10.717 0.463 1.00 0.00 C ATOM 1828 C ARG A 119 2.805 9.320 -0.092 1.00 0.00 C ATOM 1829 O ARG A 119 1.679 8.861 -0.220 1.00 0.00 O ATOM 1830 CB ARG A 119 3.848 10.692 1.729 1.00 0.00 C ATOM 1831 CG ARG A 119 3.982 11.991 2.549 1.00 0.00 C ATOM 1832 CD ARG A 119 2.691 12.404 3.221 1.00 0.00 C ATOM 1833 NE ARG A 119 2.873 13.489 4.177 1.00 0.00 N ATOM 1834 CZ ARG A 119 2.153 14.615 4.211 1.00 0.00 C ATOM 1835 NH1 ARG A 119 1.416 14.976 3.170 1.00 0.00 N ATOM 1836 NH2 ARG A 119 2.230 15.411 5.260 1.00 0.00 N ATOM 0 H ARG A 119 1.269 10.869 1.658 1.00 0.00 H new ATOM 0 HA ARG A 119 3.454 11.381 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.460 9.918 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.849 10.382 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.753 11.857 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 119 4.317 12.795 1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.974 12.713 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 119 2.262 11.543 3.733 1.00 0.00 H new ATOM 0 HE ARG A 119 3.608 13.381 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.395 14.393 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.870 15.837 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.838 15.167 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.682 16.271 5.289 1.00 0.00 H new ATOM 1850 N TRP A 120 3.874 8.616 -0.383 1.00 0.00 N ATOM 1851 CA TRP A 120 3.706 7.295 -0.972 1.00 0.00 C ATOM 1852 C TRP A 120 4.835 6.370 -0.587 1.00 0.00 C ATOM 1853 O TRP A 120 5.897 6.817 -0.152 1.00 0.00 O ATOM 1854 CB TRP A 120 3.563 7.371 -2.514 1.00 0.00 C ATOM 1855 CG TRP A 120 4.809 7.780 -3.258 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.704 6.945 -3.848 1.00 0.00 C ATOM 1857 CD2 TRP A 120 5.290 9.106 -3.498 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.714 7.661 -4.434 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.485 8.986 -4.238 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.836 10.374 -3.162 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 7.221 10.087 -4.643 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.569 11.462 -3.568 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.750 11.312 -4.301 1.00 0.00 C ATOM 0 H TRP A 120 4.838 8.915 -0.232 1.00 0.00 H new ATOM 0 HA TRP A 120 2.781 6.883 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 120 3.244 6.395 -2.881 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.768 8.077 -2.754 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.629 5.868 -3.854 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.509 7.264 -4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.926 10.502 -2.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 8.134 9.975 -5.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.226 12.454 -3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.300 12.192 -4.602 1.00 0.00 H new ATOM 1874 N ILE A 121 4.604 5.094 -0.726 1.00 0.00 N ATOM 1875 CA ILE A 121 5.611 4.114 -0.439 1.00 0.00 C ATOM 1876 C ILE A 121 5.875 3.302 -1.677 1.00 0.00 C ATOM 1877 O ILE A 121 4.966 2.698 -2.252 1.00 0.00 O ATOM 1878 CB ILE A 121 5.201 3.169 0.721 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.943 3.977 1.983 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.308 2.136 0.989 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.275 3.200 3.083 1.00 0.00 C ATOM 0 H ILE A 121 3.715 4.706 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 121 6.511 4.644 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 121 4.290 2.645 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.892 4.367 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.322 4.836 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 121 6.004 1.481 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.477 1.542 0.091 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.229 2.652 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.126 3.847 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.310 2.833 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.904 2.356 3.366 1.00 0.00 H new ATOM 1893 N CYS A 122 7.087 3.312 -2.095 1.00 0.00 N ATOM 1894 CA CYS A 122 7.508 2.517 -3.209 1.00 0.00 C ATOM 1895 C CYS A 122 8.153 1.294 -2.679 1.00 0.00 C ATOM 1896 O CYS A 122 8.829 1.358 -1.665 1.00 0.00 O ATOM 1897 CB CYS A 122 8.519 3.266 -4.067 1.00 0.00 C ATOM 1898 SG CYS A 122 7.862 4.705 -4.921 1.00 0.00 S ATOM 0 H CYS A 122 7.828 3.874 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 122 6.641 2.279 -3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.348 3.583 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.928 2.577 -4.806 1.00 0.00 H new ATOM 1903 N GLN A 123 7.945 0.191 -3.300 1.00 0.00 N ATOM 1904 CA GLN A 123 8.625 -0.969 -2.901 1.00 0.00 C ATOM 1905 C GLN A 123 9.070 -1.720 -4.136 1.00 0.00 C ATOM 1906 O GLN A 123 8.379 -1.733 -5.164 1.00 0.00 O ATOM 1907 CB GLN A 123 7.797 -1.818 -1.902 1.00 0.00 C ATOM 1908 CG GLN A 123 6.750 -2.724 -2.482 1.00 0.00 C ATOM 1909 CD GLN A 123 7.212 -4.157 -2.544 1.00 0.00 C ATOM 1910 OE1 GLN A 123 8.393 -4.440 -2.652 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.286 -5.063 -2.469 1.00 0.00 N ATOM 0 H GLN A 123 7.307 0.074 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 123 9.519 -0.701 -2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.489 -2.428 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.308 -1.138 -1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.843 -2.662 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.491 -2.383 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.308 -4.787 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.536 -6.051 -2.500 1.00 0.00 H new ATOM 1920 N LYS A 124 10.213 -2.283 -4.057 1.00 0.00 N ATOM 1921 CA LYS A 124 10.779 -2.993 -5.149 1.00 0.00 C ATOM 1922 C LYS A 124 10.694 -4.422 -4.733 1.00 0.00 C ATOM 1923 O LYS A 124 11.317 -4.830 -3.736 1.00 0.00 O ATOM 1924 CB LYS A 124 12.215 -2.534 -5.346 1.00 0.00 C ATOM 1925 CG LYS A 124 12.742 -2.689 -6.757 1.00 0.00 C ATOM 1926 CD LYS A 124 14.119 -2.080 -6.854 1.00 0.00 C ATOM 1927 CE LYS A 124 14.649 -2.010 -8.277 1.00 0.00 C ATOM 1928 NZ LYS A 124 14.721 -3.325 -8.954 1.00 0.00 N ATOM 0 H LYS A 124 10.796 -2.267 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 124 10.272 -2.831 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.289 -1.485 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.858 -3.097 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.780 -3.744 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.068 -2.203 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.094 -1.075 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.810 -2.663 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.011 -1.346 -8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.644 -1.564 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.090 -3.199 -9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.353 -3.956 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 13.770 -3.745 -9.000 1.00 0.00 H new ATOM 1942 N GLU A 125 9.889 -5.151 -5.431 1.00 0.00 N ATOM 1943 CA GLU A 125 9.465 -6.417 -4.963 1.00 0.00 C ATOM 1944 C GLU A 125 10.266 -7.574 -5.488 1.00 0.00 C ATOM 1945 O GLU A 125 10.536 -7.700 -6.693 1.00 0.00 O ATOM 1946 CB GLU A 125 7.980 -6.572 -5.176 1.00 0.00 C ATOM 1947 CG GLU A 125 7.412 -7.821 -4.607 1.00 0.00 C ATOM 1948 CD GLU A 125 5.939 -7.731 -4.431 1.00 0.00 C ATOM 1949 OE1 GLU A 125 5.220 -7.651 -5.449 1.00 0.00 O ATOM 1950 OE2 GLU A 125 5.483 -7.735 -3.255 1.00 0.00 O ATOM 0 H GLU A 125 9.510 -4.882 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 125 9.663 -6.445 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.469 -5.718 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.773 -6.546 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.649 -8.659 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.881 -8.027 -3.645 1.00 0.00 H new ATOM 1957 N LEU A 126 10.629 -8.416 -4.564 1.00 0.00 N ATOM 1958 CA LEU A 126 11.437 -9.575 -4.796 1.00 0.00 C ATOM 1959 C LEU A 126 10.513 -10.805 -5.089 1.00 0.00 C ATOM 1960 O LEU A 126 10.827 -11.622 -5.948 1.00 0.00 O ATOM 1961 CB LEU A 126 12.375 -9.804 -3.553 1.00 0.00 C ATOM 1962 CG LEU A 126 13.591 -8.812 -3.277 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.432 -7.434 -3.877 1.00 0.00 C ATOM 1964 CD2 LEU A 126 13.821 -8.659 -1.784 1.00 0.00 C ATOM 0 H LEU A 126 10.357 -8.307 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 126 12.075 -9.436 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.743 -9.797 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.790 -10.808 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 126 14.445 -9.277 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.307 -6.830 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.334 -7.518 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 126 12.540 -6.960 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 126 14.655 -7.978 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 126 12.922 -8.257 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.051 -9.632 -1.350 1.00 0.00 H new ATOM 1976 N TYR A 127 9.353 -10.905 -4.397 1.00 0.00 N ATOM 1977 CA TYR A 127 8.346 -12.001 -4.649 1.00 0.00 C ATOM 1978 C TYR A 127 6.923 -11.511 -4.341 1.00 0.00 C ATOM 1979 O TYR A 127 6.770 -10.589 -3.583 1.00 0.00 O ATOM 1980 CB TYR A 127 8.548 -13.231 -3.763 1.00 0.00 C ATOM 1981 CG TYR A 127 9.763 -14.065 -3.998 1.00 0.00 C ATOM 1982 CD1 TYR A 127 9.800 -15.021 -5.001 1.00 0.00 C ATOM 1983 CD2 TYR A 127 10.847 -13.943 -3.183 1.00 0.00 C ATOM 1984 CE1 TYR A 127 10.911 -15.819 -5.169 1.00 0.00 C ATOM 1985 CE2 TYR A 127 11.937 -14.729 -3.330 1.00 0.00 C ATOM 1986 CZ TYR A 127 11.979 -15.669 -4.324 1.00 0.00 C ATOM 1987 OH TYR A 127 13.087 -16.485 -4.450 1.00 0.00 O ATOM 0 H TYR A 127 9.079 -10.253 -3.662 1.00 0.00 H new ATOM 0 HA TYR A 127 8.487 -12.267 -5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.566 -12.897 -2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.674 -13.873 -3.876 1.00 0.00 H new ATOM 0 HD1 TYR A 127 8.950 -15.142 -5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 127 10.836 -13.200 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.939 -16.555 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.777 -14.615 -2.661 1.00 0.00 H new ATOM 0 HH TYR A 127 13.751 -16.242 -3.772 1.00 0.00 H new ATOM 1997 N HIS A 128 5.887 -12.161 -4.898 1.00 0.00 N ATOM 1998 CA HIS A 128 4.466 -11.799 -4.596 1.00 0.00 C ATOM 1999 C HIS A 128 3.487 -12.928 -4.890 1.00 0.00 C ATOM 2000 O HIS A 128 3.750 -13.760 -5.753 1.00 0.00 O ATOM 2001 CB HIS A 128 4.008 -10.518 -5.323 1.00 0.00 C ATOM 2002 CG HIS A 128 4.288 -10.445 -6.812 1.00 0.00 C ATOM 2003 ND1 HIS A 128 4.999 -9.417 -7.360 1.00 0.00 N ATOM 2004 CD2 HIS A 128 3.932 -11.240 -7.849 1.00 0.00 C ATOM 2005 CE1 HIS A 128 5.082 -9.567 -8.659 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.443 -10.667 -8.989 1.00 0.00 N ATOM 0 H HIS A 128 5.991 -12.934 -5.555 1.00 0.00 H new ATOM 0 HA HIS A 128 4.454 -11.610 -3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 128 2.934 -10.406 -5.172 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.488 -9.664 -4.844 1.00 0.00 H new ATOM 0 HD1 HIS A 128 5.407 -8.644 -6.834 1.00 0.00 H new ATOM 0 HD2 HIS A 128 3.356 -12.152 -7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 128 5.589 -8.901 -9.342 1.00 0.00 H new ATOM 2015 N GLU A 129 2.350 -12.946 -4.165 1.00 0.00 N ATOM 2016 CA GLU A 129 1.292 -13.948 -4.377 1.00 0.00 C ATOM 2017 C GLU A 129 -0.118 -13.317 -4.265 1.00 0.00 C ATOM 2018 O GLU A 129 -0.264 -12.097 -4.221 1.00 0.00 O ATOM 2019 CB GLU A 129 1.396 -15.114 -3.376 1.00 0.00 C ATOM 2020 CG GLU A 129 2.677 -15.916 -3.440 1.00 0.00 C ATOM 2021 CD GLU A 129 2.561 -17.215 -2.694 1.00 0.00 C ATOM 2022 OE1 GLU A 129 2.606 -17.209 -1.444 1.00 0.00 O ATOM 2023 OE2 GLU A 129 2.381 -18.274 -3.341 1.00 0.00 O ATOM 0 H GLU A 129 2.143 -12.274 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 129 1.437 -14.333 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.288 -14.715 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 129 0.557 -15.789 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 129 2.928 -16.116 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.495 -15.329 -3.022 1.00 0.00 H new ATOM 2030 N THR A 130 -1.124 -14.180 -4.238 1.00 0.00 N ATOM 2031 CA THR A 130 -2.539 -13.850 -4.124 1.00 0.00 C ATOM 2032 C THR A 130 -3.224 -14.906 -3.245 1.00 0.00 C ATOM 2033 O THR A 130 -3.332 -16.056 -3.651 1.00 0.00 O ATOM 2034 CB THR A 130 -3.178 -13.866 -5.547 1.00 0.00 C ATOM 2035 OG1 THR A 130 -2.851 -12.649 -6.247 1.00 0.00 O ATOM 2036 CG2 THR A 130 -4.692 -14.083 -5.521 1.00 0.00 C ATOM 0 H THR A 130 -0.966 -15.186 -4.298 1.00 0.00 H new ATOM 0 HA THR A 130 -2.662 -12.863 -3.678 1.00 0.00 H new ATOM 0 HB THR A 130 -2.755 -14.719 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 130 -3.658 -12.101 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 130 -5.077 -14.084 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.914 -15.040 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 130 -5.165 -13.280 -4.955 1.00 0.00 H new