USER MOD reduce.3.24.130724 H: found=0, std=0, add=1055, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1055 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 83 SER OG : rot 176:sc= 1.98 USER MOD Set 1.2: A 130 THR OG1 : rot -23:sc= 0.287 USER MOD Set 2.1: A 81 ASN : amide:sc= -4.51! C(o=-3.4!,f=-8.7!) USER MOD Set 2.2: A 128 HIS : no HE2:sc= 1.08 K(o=-3.4,f=-11!) USER MOD Set 3.1: A 116 SER OG : rot 176:sc= 1.25 USER MOD Set 3.2: A 118 ASN : amide:sc= -0.623 K(o=0.63,f=-0.2) USER MOD Set 4.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 105 SER OG : rot 61:sc= 1.22 USER MOD Set 5.1: A 96 THR OG1 : rot -20:sc= 0.0611 USER MOD Set 5.2: A 98 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0.061) USER MOD Set 6.1: A 71 THR OG1 : rot 29:sc= 1.13 USER MOD Set 6.2: A 78 LYS NZ :NH3+ -168:sc= 0.855 (180deg=-0.422) USER MOD Set 7.1: A 22 GLN :FLIP amide:sc= -0.369 F(o=-1.3,f=0.36) USER MOD Set 7.2: A 62 ASN : amide:sc= 0.728 K(o=0.36,f=-1.3) USER MOD Set 8.1: A 19 HIS : no HE2:sc= 0.319 K(o=0.84,f=-0.56) USER MOD Set 8.2: A 21 SER OG : rot 160:sc= 0.517 USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.111 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 38:sc= 0.054 USER MOD Single : A 13 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.4!) USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= 1.77 (180deg=-1.11) USER MOD Single : A 24 SER OG : rot 180:sc= -0.41 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.859! C(o=-3.8!,f=-0.86!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 37 LYS NZ :NH3+ -111:sc= 0.598 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -158:sc= -1.86 (180deg=-3.44) USER MOD Single : A 45 GLN : amide:sc= -1.47 K(o=-1.5,f=-2!) USER MOD Single : A 47 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.37) USER MOD Single : A 56 SER OG : rot -80:sc= 1.15 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.227) USER MOD Single : A 60 LYS NZ :NH3+ -145:sc= 1.21 (180deg=0.984) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -129:sc= 0.67 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.0872 (180deg=-0.497) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 84 THR OG1 : rot -167:sc= -1.23! USER MOD Single : A 86 ASN : amide:sc= 0.456 K(o=0.46,f=-5.4!) USER MOD Single : A 87 SER OG : rot -110:sc= -0.812 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -60:sc= 0.524 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -19:sc= 0.634 USER MOD Single : A 113 SER OG : rot 102:sc= 0.0583 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.494 F(o=-1.2,f=-0.49) USER MOD Single : A 123 GLN :FLIP amide:sc= -5.32! C(o=-5.9!,f=-5.3!) USER MOD Single : A 124 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0608) USER MOD Single : A 127 TYR OH : rot 11:sc= 0.183 USER MOD Single : A 132 SER OG : rot 93:sc= 1.35 USER MOD Single : A 133 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 44:sc= 1.2 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.227 -16.028 1.290 1.00 0.00 N ATOM 2 CA SER A 1 19.215 -15.076 1.667 1.00 0.00 C ATOM 3 C SER A 1 18.039 -15.198 0.698 1.00 0.00 C ATOM 4 O SER A 1 18.230 -15.550 -0.467 1.00 0.00 O ATOM 5 CB SER A 1 19.810 -13.670 1.667 1.00 0.00 C ATOM 6 OG SER A 1 20.968 -13.601 2.510 1.00 0.00 O ATOM 0 H1 SER A 1 21.167 -15.595 1.393 1.00 0.00 H new ATOM 0 H2 SER A 1 20.162 -16.865 1.904 1.00 0.00 H new ATOM 0 H3 SER A 1 20.084 -16.313 0.300 1.00 0.00 H new ATOM 0 HA SER A 1 18.851 -15.278 2.674 1.00 0.00 H new ATOM 0 HB2 SER A 1 20.079 -13.385 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.063 -12.955 2.011 1.00 0.00 H new ATOM 0 HG SER A 1 21.332 -12.691 2.492 1.00 0.00 H new ATOM 14 N ALA A 2 16.837 -14.952 1.188 1.00 0.00 N ATOM 15 CA ALA A 2 15.624 -15.096 0.402 1.00 0.00 C ATOM 16 C ALA A 2 15.540 -14.042 -0.688 1.00 0.00 C ATOM 17 O ALA A 2 15.471 -14.371 -1.875 1.00 0.00 O ATOM 18 CB ALA A 2 14.400 -15.029 1.310 1.00 0.00 C ATOM 0 H ALA A 2 16.674 -14.645 2.147 1.00 0.00 H new ATOM 0 HA ALA A 2 15.650 -16.071 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.496 -15.138 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.447 -15.833 2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.381 -14.068 1.824 1.00 0.00 H new ATOM 24 N LYS A 3 15.563 -12.786 -0.283 1.00 0.00 N ATOM 25 CA LYS A 3 15.440 -11.690 -1.209 1.00 0.00 C ATOM 26 C LYS A 3 16.586 -11.470 -2.175 1.00 0.00 C ATOM 27 O LYS A 3 17.631 -12.117 -2.118 1.00 0.00 O ATOM 28 CB LYS A 3 14.997 -10.379 -0.541 1.00 0.00 C ATOM 29 CG LYS A 3 15.636 -9.929 0.786 1.00 0.00 C ATOM 30 CD LYS A 3 17.039 -9.291 0.681 1.00 0.00 C ATOM 31 CE LYS A 3 18.157 -10.283 0.411 1.00 0.00 C ATOM 32 NZ LYS A 3 19.448 -9.606 0.224 1.00 0.00 N ATOM 0 H LYS A 3 15.667 -12.504 0.692 1.00 0.00 H new ATOM 0 HA LYS A 3 14.631 -12.037 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.156 -9.579 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.922 -10.449 -0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.968 -9.212 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.700 -10.794 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.029 -8.547 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 3 17.255 -8.761 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 3 18.230 -10.984 1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.919 -10.867 -0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.188 -10.314 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.385 -8.955 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 19.686 -9.069 1.082 1.00 0.00 H new ATOM 46 N LEU A 4 16.344 -10.538 -3.044 1.00 0.00 N ATOM 47 CA LEU A 4 17.242 -10.107 -4.068 1.00 0.00 C ATOM 48 C LEU A 4 17.912 -8.842 -3.541 1.00 0.00 C ATOM 49 O LEU A 4 17.712 -8.488 -2.371 1.00 0.00 O ATOM 50 CB LEU A 4 16.438 -9.803 -5.375 1.00 0.00 C ATOM 51 CG LEU A 4 15.655 -10.977 -6.058 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.572 -11.593 -5.153 1.00 0.00 C ATOM 53 CD2 LEU A 4 15.001 -10.479 -7.324 1.00 0.00 C ATOM 0 H LEU A 4 15.461 -10.028 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 4 17.984 -10.869 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.721 -9.014 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.136 -9.399 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 4 16.387 -11.757 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.068 -12.399 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 4 15.035 -11.989 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.845 -10.827 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.457 -11.296 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.308 -9.673 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.765 -10.108 -8.007 1.00 0.00 H new ATOM 65 N GLU A 5 18.681 -8.164 -4.339 1.00 0.00 N ATOM 66 CA GLU A 5 19.329 -6.967 -3.854 1.00 0.00 C ATOM 67 C GLU A 5 18.712 -5.724 -4.478 1.00 0.00 C ATOM 68 O GLU A 5 18.233 -5.762 -5.618 1.00 0.00 O ATOM 69 CB GLU A 5 20.844 -7.043 -4.029 1.00 0.00 C ATOM 70 CG GLU A 5 21.433 -8.271 -3.337 1.00 0.00 C ATOM 71 CD GLU A 5 22.932 -8.299 -3.311 1.00 0.00 C ATOM 72 OE1 GLU A 5 23.556 -8.639 -4.334 1.00 0.00 O ATOM 73 OE2 GLU A 5 23.513 -7.996 -2.256 1.00 0.00 O ATOM 0 H GLU A 5 18.877 -8.406 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 5 19.157 -6.891 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 5 21.086 -7.073 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.303 -6.142 -3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.062 -8.311 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.072 -9.167 -3.842 1.00 0.00 H new ATOM 80 N CYS A 6 18.693 -4.660 -3.724 1.00 0.00 N ATOM 81 CA CYS A 6 18.055 -3.418 -4.110 1.00 0.00 C ATOM 82 C CYS A 6 18.966 -2.232 -3.735 1.00 0.00 C ATOM 83 O CYS A 6 19.977 -2.448 -3.060 1.00 0.00 O ATOM 84 CB CYS A 6 16.704 -3.333 -3.378 1.00 0.00 C ATOM 85 SG CYS A 6 16.825 -3.510 -1.565 1.00 0.00 S ATOM 0 H CYS A 6 19.128 -4.625 -2.802 1.00 0.00 H new ATOM 0 HA CYS A 6 17.887 -3.382 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.238 -2.375 -3.608 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.044 -4.110 -3.765 1.00 0.00 H new ATOM 90 N PRO A 7 18.663 -0.967 -4.184 1.00 0.00 N ATOM 91 CA PRO A 7 19.481 0.216 -3.833 1.00 0.00 C ATOM 92 C PRO A 7 19.647 0.397 -2.310 1.00 0.00 C ATOM 93 O PRO A 7 18.799 -0.036 -1.521 1.00 0.00 O ATOM 94 CB PRO A 7 18.699 1.386 -4.433 1.00 0.00 C ATOM 95 CG PRO A 7 17.913 0.789 -5.541 1.00 0.00 C ATOM 96 CD PRO A 7 17.541 -0.589 -5.082 1.00 0.00 C ATOM 0 HA PRO A 7 20.498 0.128 -4.214 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.048 1.849 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.369 2.164 -4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.024 1.383 -5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.499 0.750 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.586 -0.593 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.447 -1.280 -5.920 1.00 0.00 H new ATOM 104 N GLN A 8 20.731 1.044 -1.911 1.00 0.00 N ATOM 105 CA GLN A 8 21.075 1.202 -0.495 1.00 0.00 C ATOM 106 C GLN A 8 20.103 2.092 0.279 1.00 0.00 C ATOM 107 O GLN A 8 19.975 1.962 1.485 1.00 0.00 O ATOM 108 CB GLN A 8 22.515 1.686 -0.313 1.00 0.00 C ATOM 109 CG GLN A 8 22.834 3.013 -0.979 1.00 0.00 C ATOM 110 CD GLN A 8 24.249 3.450 -0.707 1.00 0.00 C ATOM 111 OE1 GLN A 8 25.169 3.105 -1.439 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.441 4.213 0.329 1.00 0.00 N ATOM 0 H GLN A 8 21.398 1.475 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 8 20.986 0.204 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.721 1.773 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.190 0.927 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.681 2.926 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.143 3.775 -0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.653 4.482 0.918 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.380 4.543 0.553 1.00 0.00 H new ATOM 121 N ASP A 9 19.409 2.979 -0.410 1.00 0.00 N ATOM 122 CA ASP A 9 18.441 3.885 0.256 1.00 0.00 C ATOM 123 C ASP A 9 17.063 3.266 0.255 1.00 0.00 C ATOM 124 O ASP A 9 16.029 3.951 0.370 1.00 0.00 O ATOM 125 CB ASP A 9 18.406 5.263 -0.412 1.00 0.00 C ATOM 126 CG ASP A 9 19.706 6.011 -0.267 1.00 0.00 C ATOM 127 OD1 ASP A 9 19.920 6.657 0.789 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.528 5.969 -1.211 1.00 0.00 O ATOM 0 H ASP A 9 19.483 3.105 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 9 18.770 4.025 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.176 5.144 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.601 5.854 0.024 1.00 0.00 H new ATOM 133 N TRP A 10 17.054 1.977 0.107 1.00 0.00 N ATOM 134 CA TRP A 10 15.877 1.189 0.119 1.00 0.00 C ATOM 135 C TRP A 10 16.005 0.133 1.211 1.00 0.00 C ATOM 136 O TRP A 10 17.104 -0.354 1.493 1.00 0.00 O ATOM 137 CB TRP A 10 15.636 0.584 -1.263 1.00 0.00 C ATOM 138 CG TRP A 10 15.146 1.574 -2.278 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.809 2.658 -2.778 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.884 1.552 -2.922 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.011 3.328 -3.663 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.829 2.664 -3.779 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.783 0.705 -2.851 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.720 2.945 -4.554 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.690 0.989 -3.625 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.667 2.100 -4.463 1.00 0.00 C ATOM 0 H TRP A 10 17.904 1.431 -0.030 1.00 0.00 H new ATOM 0 HA TRP A 10 15.005 1.802 0.346 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.564 0.139 -1.622 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.908 -0.223 -1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.816 2.944 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.261 4.185 -4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.790 -0.157 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.695 3.805 -5.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.829 0.338 -3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.785 2.293 -5.056 1.00 0.00 H new ATOM 157 N LEU A 11 14.907 -0.171 1.835 1.00 0.00 N ATOM 158 CA LEU A 11 14.855 -1.056 2.994 1.00 0.00 C ATOM 159 C LEU A 11 14.475 -2.444 2.601 1.00 0.00 C ATOM 160 O LEU A 11 13.321 -2.730 2.322 1.00 0.00 O ATOM 161 CB LEU A 11 13.854 -0.536 4.039 1.00 0.00 C ATOM 162 CG LEU A 11 14.230 0.687 4.903 1.00 0.00 C ATOM 163 CD1 LEU A 11 14.773 1.834 4.074 1.00 0.00 C ATOM 164 CD2 LEU A 11 12.997 1.144 5.653 1.00 0.00 C ATOM 0 H LEU A 11 13.994 0.190 1.558 1.00 0.00 H new ATOM 0 HA LEU A 11 15.855 -1.072 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.929 -0.295 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.631 -1.360 4.717 1.00 0.00 H new ATOM 0 HG LEU A 11 15.019 0.387 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.022 2.670 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.668 1.508 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.019 2.150 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.245 2.008 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.219 1.418 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.638 0.336 6.290 1.00 0.00 H new ATOM 176 N SER A 12 15.419 -3.282 2.589 1.00 0.00 N ATOM 177 CA SER A 12 15.207 -4.646 2.218 1.00 0.00 C ATOM 178 C SER A 12 14.590 -5.444 3.383 1.00 0.00 C ATOM 179 O SER A 12 15.139 -5.466 4.495 1.00 0.00 O ATOM 180 CB SER A 12 16.528 -5.227 1.741 1.00 0.00 C ATOM 181 OG SER A 12 17.539 -5.112 2.739 1.00 0.00 O ATOM 0 H SER A 12 16.383 -3.058 2.837 1.00 0.00 H new ATOM 0 HA SER A 12 14.488 -4.709 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.392 -6.276 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.848 -4.711 0.836 1.00 0.00 H new ATOM 0 HG SER A 12 17.147 -5.277 3.622 1.00 0.00 H new ATOM 187 N HIS A 13 13.445 -6.056 3.142 1.00 0.00 N ATOM 188 CA HIS A 13 12.750 -6.818 4.161 1.00 0.00 C ATOM 189 C HIS A 13 12.138 -8.062 3.570 1.00 0.00 C ATOM 190 O HIS A 13 11.234 -7.966 2.732 1.00 0.00 O ATOM 191 CB HIS A 13 11.640 -5.971 4.822 1.00 0.00 C ATOM 192 CG HIS A 13 10.878 -6.684 5.925 1.00 0.00 C ATOM 193 ND1 HIS A 13 9.516 -6.966 5.873 1.00 0.00 N ATOM 194 CD2 HIS A 13 11.295 -7.128 7.134 1.00 0.00 C ATOM 195 CE1 HIS A 13 9.154 -7.537 7.003 1.00 0.00 C ATOM 196 NE2 HIS A 13 10.211 -7.643 7.773 1.00 0.00 N ATOM 0 H HIS A 13 12.973 -6.039 2.238 1.00 0.00 H new ATOM 0 HA HIS A 13 13.482 -7.100 4.918 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.087 -5.066 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.933 -5.657 4.054 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.898 -6.763 5.087 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.303 -7.082 7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.155 -7.863 7.254 1.00 0.00 H new ATOM 205 N ARG A 14 12.653 -9.213 3.989 1.00 0.00 N ATOM 206 CA ARG A 14 12.126 -10.544 3.648 1.00 0.00 C ATOM 207 C ARG A 14 12.223 -10.889 2.173 1.00 0.00 C ATOM 208 O ARG A 14 13.080 -11.673 1.759 1.00 0.00 O ATOM 209 CB ARG A 14 10.676 -10.707 4.140 1.00 0.00 C ATOM 210 CG ARG A 14 10.494 -10.771 5.652 1.00 0.00 C ATOM 211 CD ARG A 14 10.962 -12.101 6.249 1.00 0.00 C ATOM 212 NE ARG A 14 12.407 -12.354 6.120 1.00 0.00 N ATOM 213 CZ ARG A 14 12.961 -13.465 5.587 1.00 0.00 C ATOM 214 NH1 ARG A 14 12.218 -14.325 4.905 1.00 0.00 N ATOM 215 NH2 ARG A 14 14.263 -13.676 5.705 1.00 0.00 N ATOM 0 H ARG A 14 13.473 -9.255 4.594 1.00 0.00 H new ATOM 0 HA ARG A 14 12.770 -11.252 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.086 -9.875 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.264 -11.617 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.048 -9.955 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.442 -10.619 5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.695 -12.124 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.419 -12.913 5.765 1.00 0.00 H new ATOM 0 HE ARG A 14 13.041 -11.632 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.221 -14.150 4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.643 -15.162 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.847 -13.000 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.682 -14.514 5.303 1.00 0.00 H new ATOM 229 N ASP A 15 11.360 -10.288 1.398 1.00 0.00 N ATOM 230 CA ASP A 15 11.228 -10.575 -0.003 1.00 0.00 C ATOM 231 C ASP A 15 10.797 -9.343 -0.802 1.00 0.00 C ATOM 232 O ASP A 15 10.381 -9.456 -1.937 1.00 0.00 O ATOM 233 CB ASP A 15 10.274 -11.765 -0.219 1.00 0.00 C ATOM 234 CG ASP A 15 8.940 -11.648 0.455 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.013 -11.105 -0.128 1.00 0.00 O ATOM 236 OD2 ASP A 15 8.783 -12.134 1.592 1.00 0.00 O ATOM 0 H ASP A 15 10.716 -9.570 1.731 1.00 0.00 H new ATOM 0 HA ASP A 15 12.210 -10.857 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.112 -11.890 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.764 -12.671 0.137 1.00 0.00 H new ATOM 241 N LYS A 16 10.930 -8.154 -0.207 1.00 0.00 N ATOM 242 CA LYS A 16 10.711 -6.868 -0.906 1.00 0.00 C ATOM 243 C LYS A 16 11.662 -5.830 -0.362 1.00 0.00 C ATOM 244 O LYS A 16 12.339 -6.069 0.636 1.00 0.00 O ATOM 245 CB LYS A 16 9.274 -6.298 -0.834 1.00 0.00 C ATOM 246 CG LYS A 16 8.200 -7.014 -1.656 1.00 0.00 C ATOM 247 CD LYS A 16 7.665 -8.253 -1.005 1.00 0.00 C ATOM 248 CE LYS A 16 7.037 -7.978 0.336 1.00 0.00 C ATOM 249 NZ LYS A 16 6.591 -9.224 0.954 1.00 0.00 N ATOM 0 H LYS A 16 11.192 -8.047 0.773 1.00 0.00 H new ATOM 0 HA LYS A 16 10.891 -7.092 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.960 -6.302 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.306 -5.256 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.375 -6.325 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.615 -7.277 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.926 -8.713 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.474 -8.973 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.756 -7.479 0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.191 -7.301 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.574 -9.163 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.764 -10.016 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.117 -9.381 1.837 1.00 0.00 H new ATOM 263 N CYS A 17 11.743 -4.706 -1.014 1.00 0.00 N ATOM 264 CA CYS A 17 12.601 -3.638 -0.570 1.00 0.00 C ATOM 265 C CYS A 17 11.787 -2.361 -0.604 1.00 0.00 C ATOM 266 O CYS A 17 11.181 -2.074 -1.599 1.00 0.00 O ATOM 267 CB CYS A 17 13.812 -3.571 -1.482 1.00 0.00 C ATOM 268 SG CYS A 17 15.173 -2.561 -0.875 1.00 0.00 S ATOM 0 H CYS A 17 11.220 -4.501 -1.865 1.00 0.00 H new ATOM 0 HA CYS A 17 12.966 -3.797 0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 17 14.178 -4.584 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.497 -3.183 -2.451 1.00 0.00 H new ATOM 273 N PHE A 18 11.781 -1.618 0.469 1.00 0.00 N ATOM 274 CA PHE A 18 10.839 -0.504 0.649 1.00 0.00 C ATOM 275 C PHE A 18 11.504 0.867 0.617 1.00 0.00 C ATOM 276 O PHE A 18 12.680 1.007 0.899 1.00 0.00 O ATOM 277 CB PHE A 18 10.128 -0.668 2.005 1.00 0.00 C ATOM 278 CG PHE A 18 9.464 -2.008 2.190 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.723 -2.584 1.180 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.604 -2.696 3.375 1.00 0.00 C ATOM 281 CE1 PHE A 18 8.143 -3.821 1.347 1.00 0.00 C ATOM 282 CE2 PHE A 18 9.019 -3.931 3.554 1.00 0.00 C ATOM 283 CZ PHE A 18 8.289 -4.496 2.536 1.00 0.00 C ATOM 0 H PHE A 18 12.421 -1.753 1.252 1.00 0.00 H new ATOM 0 HA PHE A 18 10.141 -0.544 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.854 -0.520 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.377 0.115 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.596 -2.058 0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.182 -2.261 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.572 -4.262 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.134 -4.454 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.832 -5.466 2.669 1.00 0.00 H new ATOM 293 N HIS A 19 10.730 1.864 0.250 1.00 0.00 N ATOM 294 CA HIS A 19 11.143 3.252 0.263 1.00 0.00 C ATOM 295 C HIS A 19 9.934 4.102 0.646 1.00 0.00 C ATOM 296 O HIS A 19 8.965 4.168 -0.106 1.00 0.00 O ATOM 297 CB HIS A 19 11.626 3.689 -1.129 1.00 0.00 C ATOM 298 CG HIS A 19 12.281 5.022 -1.163 1.00 0.00 C ATOM 299 ND1 HIS A 19 13.623 5.203 -0.916 1.00 0.00 N ATOM 300 CD2 HIS A 19 11.786 6.240 -1.456 1.00 0.00 C ATOM 301 CE1 HIS A 19 13.918 6.462 -1.060 1.00 0.00 C ATOM 302 NE2 HIS A 19 12.820 7.115 -1.387 1.00 0.00 N ATOM 0 H HIS A 19 9.772 1.730 -0.074 1.00 0.00 H new ATOM 0 HA HIS A 19 11.960 3.378 0.974 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.326 2.944 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.774 3.699 -1.809 1.00 0.00 H new ATOM 0 HD1 HIS A 19 14.282 4.467 -0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.760 6.475 -1.700 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.898 6.899 -0.933 1.00 0.00 H new ATOM 311 N VAL A 20 9.986 4.727 1.783 1.00 0.00 N ATOM 312 CA VAL A 20 8.898 5.571 2.249 1.00 0.00 C ATOM 313 C VAL A 20 9.127 7.004 1.781 1.00 0.00 C ATOM 314 O VAL A 20 10.030 7.701 2.266 1.00 0.00 O ATOM 315 CB VAL A 20 8.782 5.546 3.796 1.00 0.00 C ATOM 316 CG1 VAL A 20 7.648 6.456 4.267 1.00 0.00 C ATOM 317 CG2 VAL A 20 8.557 4.122 4.289 1.00 0.00 C ATOM 0 H VAL A 20 10.779 4.674 2.423 1.00 0.00 H new ATOM 0 HA VAL A 20 7.968 5.184 1.832 1.00 0.00 H new ATOM 0 HB VAL A 20 9.717 5.917 4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.584 6.424 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.845 7.479 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.706 6.115 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.478 4.122 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.636 3.729 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.396 3.495 3.986 1.00 0.00 H new ATOM 327 N SER A 21 8.392 7.397 0.792 1.00 0.00 N ATOM 328 CA SER A 21 8.453 8.726 0.276 1.00 0.00 C ATOM 329 C SER A 21 7.651 9.666 1.200 1.00 0.00 C ATOM 330 O SER A 21 6.427 9.563 1.274 1.00 0.00 O ATOM 331 CB SER A 21 7.866 8.734 -1.128 1.00 0.00 C ATOM 332 OG SER A 21 8.388 7.657 -1.919 1.00 0.00 O ATOM 0 H SER A 21 7.722 6.795 0.313 1.00 0.00 H new ATOM 0 HA SER A 21 9.486 9.071 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.781 8.653 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.089 9.685 -1.612 1.00 0.00 H new ATOM 0 HG SER A 21 7.788 7.486 -2.675 1.00 0.00 H new ATOM 338 N GLN A 22 8.325 10.568 1.899 1.00 0.00 N ATOM 339 CA GLN A 22 7.644 11.522 2.797 1.00 0.00 C ATOM 340 C GLN A 22 7.197 12.777 2.046 1.00 0.00 C ATOM 341 O GLN A 22 6.811 13.769 2.646 1.00 0.00 O ATOM 342 CB GLN A 22 8.495 11.888 4.029 1.00 0.00 C ATOM 343 CG GLN A 22 8.606 10.783 5.089 1.00 0.00 C ATOM 344 CD GLN A 22 7.278 10.447 5.809 1.00 0.00 C ATOM 345 OE1 GLN A 22 6.417 11.438 6.044 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 7.063 9.315 6.207 1.00 0.00 N flip ATOM 0 H GLN A 22 9.340 10.668 1.870 1.00 0.00 H new ATOM 0 HA GLN A 22 6.754 11.013 3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.498 12.152 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.070 12.777 4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.986 9.878 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.342 11.085 5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.735 8.571 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.212 9.112 6.730 1.00 0.00 H new ATOM 355 N VAL A 23 7.214 12.701 0.749 1.00 0.00 N ATOM 356 CA VAL A 23 6.776 13.787 -0.110 1.00 0.00 C ATOM 357 C VAL A 23 5.379 13.478 -0.578 1.00 0.00 C ATOM 358 O VAL A 23 5.013 12.323 -0.622 1.00 0.00 O ATOM 359 CB VAL A 23 7.733 14.034 -1.307 1.00 0.00 C ATOM 360 CG1 VAL A 23 9.017 14.659 -0.813 1.00 0.00 C ATOM 361 CG2 VAL A 23 8.051 12.733 -2.029 1.00 0.00 C ATOM 0 H VAL A 23 7.535 11.877 0.240 1.00 0.00 H new ATOM 0 HA VAL A 23 6.788 14.714 0.463 1.00 0.00 H new ATOM 0 HB VAL A 23 7.237 14.707 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.686 14.831 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.796 15.609 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.497 13.989 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.723 12.935 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.529 12.040 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.128 12.291 -2.405 1.00 0.00 H new ATOM 371 N SER A 24 4.599 14.478 -0.901 1.00 0.00 N ATOM 372 CA SER A 24 3.198 14.240 -1.214 1.00 0.00 C ATOM 373 C SER A 24 2.872 14.387 -2.711 1.00 0.00 C ATOM 374 O SER A 24 3.465 15.216 -3.407 1.00 0.00 O ATOM 375 CB SER A 24 2.315 15.141 -0.363 1.00 0.00 C ATOM 376 OG SER A 24 2.618 14.995 1.020 1.00 0.00 O ATOM 0 H SER A 24 4.896 15.452 -0.956 1.00 0.00 H new ATOM 0 HA SER A 24 2.989 13.198 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.455 16.180 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.267 14.898 -0.537 1.00 0.00 H new ATOM 0 HG SER A 24 2.039 15.585 1.546 1.00 0.00 H new ATOM 382 N ASN A 25 1.927 13.553 -3.154 1.00 0.00 N ATOM 383 CA ASN A 25 1.402 13.402 -4.520 1.00 0.00 C ATOM 384 C ASN A 25 0.049 12.725 -4.494 1.00 0.00 C ATOM 385 O ASN A 25 -0.422 12.294 -3.447 1.00 0.00 O ATOM 386 CB ASN A 25 2.305 12.483 -5.349 1.00 0.00 C ATOM 387 CG ASN A 25 3.370 13.149 -6.171 1.00 0.00 C ATOM 388 OD1 ASN A 25 3.830 12.429 -7.150 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 3.807 14.259 -5.919 1.00 0.00 N flip ATOM 0 H ASN A 25 1.467 12.908 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 25 1.347 14.403 -4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.788 11.779 -4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.674 11.899 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.421 14.795 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.559 14.652 -6.485 1.00 0.00 H new ATOM 396 N THR A 26 -0.569 12.629 -5.635 1.00 0.00 N ATOM 397 CA THR A 26 -1.734 11.819 -5.800 1.00 0.00 C ATOM 398 C THR A 26 -1.278 10.361 -5.986 1.00 0.00 C ATOM 399 O THR A 26 -0.086 10.113 -6.289 1.00 0.00 O ATOM 400 CB THR A 26 -2.520 12.306 -7.014 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.589 12.828 -7.971 1.00 0.00 O ATOM 402 CG2 THR A 26 -3.525 13.379 -6.636 1.00 0.00 C ATOM 0 H THR A 26 -0.274 13.115 -6.482 1.00 0.00 H new ATOM 0 HA THR A 26 -2.384 11.886 -4.928 1.00 0.00 H new ATOM 0 HB THR A 26 -3.079 11.470 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.075 13.145 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.066 13.701 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.230 12.977 -5.909 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.002 14.231 -6.201 1.00 0.00 H new ATOM 410 N TRP A 27 -2.190 9.425 -5.830 1.00 0.00 N ATOM 411 CA TRP A 27 -1.871 7.992 -5.871 1.00 0.00 C ATOM 412 C TRP A 27 -1.153 7.585 -7.178 1.00 0.00 C ATOM 413 O TRP A 27 -0.083 6.970 -7.137 1.00 0.00 O ATOM 414 CB TRP A 27 -3.154 7.178 -5.666 1.00 0.00 C ATOM 415 CG TRP A 27 -2.967 5.691 -5.590 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.699 4.953 -4.486 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.063 4.771 -6.670 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.597 3.630 -4.819 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.821 3.491 -6.158 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.322 4.919 -8.015 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.836 2.356 -6.966 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.338 3.820 -8.822 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.096 2.543 -8.302 1.00 0.00 C ATOM 0 H TRP A 27 -3.178 9.624 -5.670 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.173 7.777 -5.062 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.635 7.514 -4.747 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.839 7.400 -6.484 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.583 5.351 -3.489 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.387 2.870 -4.171 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.511 5.899 -8.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.651 1.372 -6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.540 3.936 -9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.114 1.689 -8.963 1.00 0.00 H new ATOM 434 N GLU A 28 -1.716 7.962 -8.327 1.00 0.00 N ATOM 435 CA GLU A 28 -1.128 7.582 -9.617 1.00 0.00 C ATOM 436 C GLU A 28 0.231 8.265 -9.855 1.00 0.00 C ATOM 437 O GLU A 28 1.120 7.679 -10.455 1.00 0.00 O ATOM 438 CB GLU A 28 -2.101 7.835 -10.772 1.00 0.00 C ATOM 439 CG GLU A 28 -3.375 7.021 -10.710 1.00 0.00 C ATOM 440 CD GLU A 28 -4.369 7.419 -11.757 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.262 6.951 -12.909 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.283 8.204 -11.439 1.00 0.00 O ATOM 0 H GLU A 28 -2.566 8.522 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.939 6.509 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.362 8.893 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.593 7.620 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.132 5.965 -10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.826 7.136 -9.725 1.00 0.00 H new ATOM 449 N GLU A 29 0.400 9.483 -9.350 1.00 0.00 N ATOM 450 CA GLU A 29 1.688 10.174 -9.468 1.00 0.00 C ATOM 451 C GLU A 29 2.761 9.446 -8.676 1.00 0.00 C ATOM 452 O GLU A 29 3.851 9.203 -9.178 1.00 0.00 O ATOM 453 CB GLU A 29 1.610 11.610 -8.970 1.00 0.00 C ATOM 454 CG GLU A 29 0.919 12.585 -9.863 1.00 0.00 C ATOM 455 CD GLU A 29 1.616 12.783 -11.179 1.00 0.00 C ATOM 456 OE1 GLU A 29 2.661 13.457 -11.212 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.112 12.314 -12.205 1.00 0.00 O ATOM 0 H GLU A 29 -0.324 10.009 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 29 1.943 10.182 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.102 11.610 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.625 11.967 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.099 12.241 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.843 13.545 -9.352 1.00 0.00 H new ATOM 464 N GLY A 30 2.436 9.095 -7.430 1.00 0.00 N ATOM 465 CA GLY A 30 3.386 8.387 -6.577 1.00 0.00 C ATOM 466 C GLY A 30 3.730 7.030 -7.133 1.00 0.00 C ATOM 467 O GLY A 30 4.850 6.558 -6.987 1.00 0.00 O ATOM 0 H GLY A 30 1.533 9.287 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.295 8.980 -6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.965 8.275 -5.578 1.00 0.00 H new ATOM 471 N LEU A 31 2.760 6.430 -7.797 1.00 0.00 N ATOM 472 CA LEU A 31 2.927 5.168 -8.501 1.00 0.00 C ATOM 473 C LEU A 31 4.089 5.302 -9.512 1.00 0.00 C ATOM 474 O LEU A 31 5.022 4.487 -9.523 1.00 0.00 O ATOM 475 CB LEU A 31 1.568 4.838 -9.203 1.00 0.00 C ATOM 476 CG LEU A 31 1.438 3.594 -10.119 1.00 0.00 C ATOM 477 CD1 LEU A 31 2.013 3.836 -11.504 1.00 0.00 C ATOM 478 CD2 LEU A 31 2.087 2.390 -9.482 1.00 0.00 C ATOM 0 H LEU A 31 1.816 6.811 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 31 3.181 4.353 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.816 4.741 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.295 5.708 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 31 0.373 3.399 -10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.898 2.936 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.483 4.662 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.071 4.084 -11.420 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.984 1.529 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.145 2.593 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.602 2.177 -8.529 1.00 0.00 H new ATOM 490 N VAL A 32 4.042 6.369 -10.301 1.00 0.00 N ATOM 491 CA VAL A 32 5.062 6.652 -11.320 1.00 0.00 C ATOM 492 C VAL A 32 6.420 6.937 -10.664 1.00 0.00 C ATOM 493 O VAL A 32 7.470 6.558 -11.180 1.00 0.00 O ATOM 494 CB VAL A 32 4.661 7.854 -12.214 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.693 8.078 -13.313 1.00 0.00 C ATOM 496 CG2 VAL A 32 3.280 7.643 -12.812 1.00 0.00 C ATOM 0 H VAL A 32 3.299 7.066 -10.257 1.00 0.00 H new ATOM 0 HA VAL A 32 5.141 5.765 -11.949 1.00 0.00 H new ATOM 0 HB VAL A 32 4.630 8.746 -11.588 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.391 8.926 -13.928 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.665 8.283 -12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.762 7.185 -13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.019 8.498 -13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.281 6.738 -13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.548 7.541 -12.011 1.00 0.00 H new ATOM 506 N ASP A 33 6.382 7.584 -9.518 1.00 0.00 N ATOM 507 CA ASP A 33 7.586 7.871 -8.733 1.00 0.00 C ATOM 508 C ASP A 33 8.300 6.599 -8.336 1.00 0.00 C ATOM 509 O ASP A 33 9.537 6.553 -8.262 1.00 0.00 O ATOM 510 CB ASP A 33 7.275 8.733 -7.518 1.00 0.00 C ATOM 511 CG ASP A 33 7.336 10.217 -7.805 1.00 0.00 C ATOM 512 OD1 ASP A 33 6.480 10.746 -8.533 1.00 0.00 O ATOM 513 OD2 ASP A 33 8.252 10.895 -7.285 1.00 0.00 O ATOM 0 H ASP A 33 5.520 7.930 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 33 8.259 8.443 -9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.281 8.482 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.981 8.495 -6.722 1.00 0.00 H new ATOM 518 N CYS A 34 7.538 5.575 -8.062 1.00 0.00 N ATOM 519 CA CYS A 34 8.100 4.284 -7.772 1.00 0.00 C ATOM 520 C CYS A 34 8.670 3.671 -9.052 1.00 0.00 C ATOM 521 O CYS A 34 9.812 3.169 -9.055 1.00 0.00 O ATOM 522 CB CYS A 34 7.058 3.373 -7.152 1.00 0.00 C ATOM 523 SG CYS A 34 6.268 4.066 -5.663 1.00 0.00 S ATOM 0 H CYS A 34 6.519 5.611 -8.033 1.00 0.00 H new ATOM 0 HA CYS A 34 8.908 4.403 -7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.289 3.159 -7.894 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.526 2.423 -6.895 1.00 0.00 H new ATOM 528 N ASP A 35 7.909 3.772 -10.168 1.00 0.00 N ATOM 529 CA ASP A 35 8.348 3.247 -11.488 1.00 0.00 C ATOM 530 C ASP A 35 9.643 3.878 -11.930 1.00 0.00 C ATOM 531 O ASP A 35 10.417 3.276 -12.684 1.00 0.00 O ATOM 532 CB ASP A 35 7.295 3.421 -12.602 1.00 0.00 C ATOM 533 CG ASP A 35 6.226 2.353 -12.616 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.546 1.188 -12.959 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.052 2.661 -12.366 1.00 0.00 O ATOM 0 H ASP A 35 6.989 4.211 -10.183 1.00 0.00 H new ATOM 0 HA ASP A 35 8.491 2.178 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.819 4.395 -12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.801 3.425 -13.567 1.00 0.00 H new ATOM 540 N GLY A 36 9.879 5.085 -11.448 1.00 0.00 N ATOM 541 CA GLY A 36 11.105 5.809 -11.702 1.00 0.00 C ATOM 542 C GLY A 36 12.355 5.044 -11.274 1.00 0.00 C ATOM 543 O GLY A 36 13.405 5.167 -11.902 1.00 0.00 O ATOM 0 H GLY A 36 9.216 5.593 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.172 6.035 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.072 6.763 -11.175 1.00 0.00 H new ATOM 547 N LYS A 37 12.248 4.243 -10.223 1.00 0.00 N ATOM 548 CA LYS A 37 13.394 3.431 -9.771 1.00 0.00 C ATOM 549 C LYS A 37 13.237 2.003 -10.271 1.00 0.00 C ATOM 550 O LYS A 37 13.985 1.114 -9.877 1.00 0.00 O ATOM 551 CB LYS A 37 13.542 3.366 -8.224 1.00 0.00 C ATOM 552 CG LYS A 37 13.799 4.680 -7.462 1.00 0.00 C ATOM 553 CD LYS A 37 12.586 5.598 -7.423 1.00 0.00 C ATOM 554 CE LYS A 37 12.787 6.738 -6.433 1.00 0.00 C ATOM 555 NZ LYS A 37 11.695 7.735 -6.521 1.00 0.00 N ATOM 0 H LYS A 37 11.399 4.131 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 37 14.281 3.917 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.633 2.920 -7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.361 2.683 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.103 4.447 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.630 5.207 -7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.403 6.005 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.702 5.024 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.834 6.337 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.742 7.226 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.066 8.622 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.940 7.369 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.312 7.915 -5.571 1.00 0.00 H new ATOM 569 N GLY A 38 12.270 1.787 -11.139 1.00 0.00 N ATOM 570 CA GLY A 38 11.962 0.443 -11.591 1.00 0.00 C ATOM 571 C GLY A 38 11.349 -0.346 -10.464 1.00 0.00 C ATOM 572 O GLY A 38 11.537 -1.564 -10.343 1.00 0.00 O ATOM 0 H GLY A 38 11.686 2.519 -11.544 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.274 0.482 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.869 -0.050 -11.941 1.00 0.00 H new ATOM 576 N ALA A 39 10.649 0.365 -9.622 1.00 0.00 N ATOM 577 CA ALA A 39 10.017 -0.185 -8.474 1.00 0.00 C ATOM 578 C ALA A 39 8.529 0.004 -8.617 1.00 0.00 C ATOM 579 O ALA A 39 8.077 0.647 -9.557 1.00 0.00 O ATOM 580 CB ALA A 39 10.536 0.509 -7.233 1.00 0.00 C ATOM 0 H ALA A 39 10.504 1.369 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 39 10.236 -1.249 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.052 0.088 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.614 0.364 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.316 1.575 -7.293 1.00 0.00 H new ATOM 586 N THR A 40 7.786 -0.530 -7.730 1.00 0.00 N ATOM 587 CA THR A 40 6.373 -0.432 -7.767 1.00 0.00 C ATOM 588 C THR A 40 5.848 0.227 -6.493 1.00 0.00 C ATOM 589 O THR A 40 6.583 0.406 -5.537 1.00 0.00 O ATOM 590 CB THR A 40 5.769 -1.830 -7.980 1.00 0.00 C ATOM 591 OG1 THR A 40 6.516 -2.805 -7.223 1.00 0.00 O ATOM 592 CG2 THR A 40 5.778 -2.202 -9.452 1.00 0.00 C ATOM 0 H THR A 40 8.146 -1.061 -6.937 1.00 0.00 H new ATOM 0 HA THR A 40 6.071 0.201 -8.602 1.00 0.00 H new ATOM 0 HB THR A 40 4.735 -1.817 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.127 -3.694 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.346 -3.195 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.191 -1.476 -10.014 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.804 -2.203 -9.821 1.00 0.00 H new ATOM 600 N LEU A 41 4.620 0.655 -6.516 1.00 0.00 N ATOM 601 CA LEU A 41 3.987 1.255 -5.361 1.00 0.00 C ATOM 602 C LEU A 41 3.622 0.099 -4.400 1.00 0.00 C ATOM 603 O LEU A 41 2.959 -0.843 -4.821 1.00 0.00 O ATOM 604 CB LEU A 41 2.743 2.033 -5.843 1.00 0.00 C ATOM 605 CG LEU A 41 2.068 3.004 -4.872 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.997 4.136 -4.480 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.808 3.569 -5.490 1.00 0.00 C ATOM 0 H LEU A 41 4.019 0.601 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 41 4.634 1.959 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.028 2.597 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.996 1.303 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 41 1.814 2.446 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.484 4.806 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.885 3.728 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.292 4.690 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.337 4.258 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.060 4.100 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.119 2.756 -5.718 1.00 0.00 H new ATOM 619 N MET A 42 4.064 0.221 -3.139 1.00 0.00 N ATOM 620 CA MET A 42 4.040 -0.832 -2.056 1.00 0.00 C ATOM 621 C MET A 42 2.985 -1.956 -2.201 1.00 0.00 C ATOM 622 O MET A 42 1.776 -1.694 -2.265 1.00 0.00 O ATOM 623 CB MET A 42 3.890 -0.156 -0.688 1.00 0.00 C ATOM 624 CG MET A 42 3.823 -1.111 0.502 1.00 0.00 C ATOM 625 SD MET A 42 5.296 -2.098 0.677 1.00 0.00 S ATOM 626 CE MET A 42 4.784 -3.214 1.973 1.00 0.00 C ATOM 0 H MET A 42 4.474 1.094 -2.807 1.00 0.00 H new ATOM 0 HA MET A 42 4.995 -1.347 -2.158 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.729 0.524 -0.542 1.00 0.00 H new ATOM 0 HB3 MET A 42 2.985 0.452 -0.698 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.665 -0.537 1.415 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.962 -1.769 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.664 -3.623 2.470 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.175 -2.674 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.200 -4.027 1.543 1.00 0.00 H new ATOM 636 N LEU A 43 3.477 -3.203 -2.192 1.00 0.00 N ATOM 637 CA LEU A 43 2.667 -4.411 -2.297 1.00 0.00 C ATOM 638 C LEU A 43 2.850 -5.245 -1.012 1.00 0.00 C ATOM 639 O LEU A 43 3.879 -5.900 -0.806 1.00 0.00 O ATOM 640 CB LEU A 43 3.068 -5.273 -3.527 1.00 0.00 C ATOM 641 CG LEU A 43 2.898 -4.660 -4.938 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.612 -3.911 -5.060 1.00 0.00 C ATOM 643 CD2 LEU A 43 4.057 -3.805 -5.374 1.00 0.00 C ATOM 0 H LEU A 43 4.475 -3.397 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 43 1.626 -4.113 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.115 -5.553 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.486 -6.194 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 43 2.874 -5.510 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.527 -3.495 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.778 -4.588 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.591 -3.103 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.864 -3.412 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.182 -2.977 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.966 -4.406 -5.391 1.00 0.00 H new ATOM 655 N ILE A 44 1.868 -5.197 -0.156 1.00 0.00 N ATOM 656 CA ILE A 44 1.925 -5.849 1.146 1.00 0.00 C ATOM 657 C ILE A 44 1.480 -7.306 1.016 1.00 0.00 C ATOM 658 O ILE A 44 0.516 -7.598 0.330 1.00 0.00 O ATOM 659 CB ILE A 44 0.978 -5.132 2.143 1.00 0.00 C ATOM 660 CG1 ILE A 44 1.185 -3.616 2.069 1.00 0.00 C ATOM 661 CG2 ILE A 44 1.228 -5.624 3.573 1.00 0.00 C ATOM 662 CD1 ILE A 44 0.177 -2.828 2.851 1.00 0.00 C ATOM 0 H ILE A 44 0.993 -4.703 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 44 2.951 -5.802 1.512 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.051 -5.366 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.183 -3.377 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.146 -3.304 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.554 -5.109 4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.048 -6.698 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.260 -5.415 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.389 -1.764 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.823 -3.036 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.231 -3.110 3.902 1.00 0.00 H new ATOM 674 N GLN A 45 2.188 -8.206 1.670 1.00 0.00 N ATOM 675 CA GLN A 45 1.833 -9.619 1.620 1.00 0.00 C ATOM 676 C GLN A 45 1.275 -10.094 2.955 1.00 0.00 C ATOM 677 O GLN A 45 0.283 -10.828 3.009 1.00 0.00 O ATOM 678 CB GLN A 45 3.043 -10.470 1.224 1.00 0.00 C ATOM 679 CG GLN A 45 3.618 -10.125 -0.143 1.00 0.00 C ATOM 680 CD GLN A 45 2.630 -10.299 -1.280 1.00 0.00 C ATOM 681 OE1 GLN A 45 2.690 -9.587 -2.274 1.00 0.00 O ATOM 682 NE2 GLN A 45 1.780 -11.286 -1.195 1.00 0.00 N ATOM 0 H GLN A 45 3.007 -7.991 2.239 1.00 0.00 H new ATOM 0 HA GLN A 45 1.058 -9.737 0.863 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.822 -10.349 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.754 -11.521 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.967 -9.092 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.489 -10.753 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.751 -11.864 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.144 -11.480 -1.969 1.00 0.00 H new ATOM 691 N ASP A 46 1.891 -9.665 4.030 1.00 0.00 N ATOM 692 CA ASP A 46 1.476 -10.074 5.361 1.00 0.00 C ATOM 693 C ASP A 46 1.586 -8.886 6.292 1.00 0.00 C ATOM 694 O ASP A 46 2.169 -7.863 5.919 1.00 0.00 O ATOM 695 CB ASP A 46 2.339 -11.249 5.869 1.00 0.00 C ATOM 696 CG ASP A 46 1.867 -11.775 7.211 1.00 0.00 C ATOM 697 OD1 ASP A 46 0.844 -12.453 7.255 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.482 -11.453 8.246 1.00 0.00 O ATOM 0 H ASP A 46 2.688 -9.028 4.014 1.00 0.00 H new ATOM 0 HA ASP A 46 0.442 -10.418 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.316 -12.056 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.376 -10.925 5.953 1.00 0.00 H new ATOM 703 N GLN A 47 1.062 -9.013 7.486 1.00 0.00 N ATOM 704 CA GLN A 47 1.055 -7.943 8.443 1.00 0.00 C ATOM 705 C GLN A 47 2.451 -7.702 9.020 1.00 0.00 C ATOM 706 O GLN A 47 2.752 -6.593 9.458 1.00 0.00 O ATOM 707 CB GLN A 47 0.020 -8.218 9.512 1.00 0.00 C ATOM 708 CG GLN A 47 -0.236 -7.070 10.458 1.00 0.00 C ATOM 709 CD GLN A 47 -1.549 -7.241 11.167 1.00 0.00 C ATOM 710 OE1 GLN A 47 -2.006 -8.358 11.402 1.00 0.00 O ATOM 711 NE2 GLN A 47 -2.173 -6.159 11.493 1.00 0.00 N ATOM 0 H GLN A 47 0.625 -9.872 7.821 1.00 0.00 H new ATOM 0 HA GLN A 47 0.774 -7.017 7.941 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.919 -8.487 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.339 -9.084 10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.571 -7.009 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.237 -6.131 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.762 -5.250 11.281 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.077 -6.213 11.962 1.00 0.00 H new ATOM 720 N GLU A 48 3.323 -8.727 8.978 1.00 0.00 N ATOM 721 CA GLU A 48 4.721 -8.544 9.387 1.00 0.00 C ATOM 722 C GLU A 48 5.412 -7.510 8.503 1.00 0.00 C ATOM 723 O GLU A 48 6.343 -6.826 8.941 1.00 0.00 O ATOM 724 CB GLU A 48 5.512 -9.852 9.398 1.00 0.00 C ATOM 725 CG GLU A 48 5.121 -10.805 10.511 1.00 0.00 C ATOM 726 CD GLU A 48 6.014 -12.014 10.565 1.00 0.00 C ATOM 727 OE1 GLU A 48 7.155 -11.912 11.049 1.00 0.00 O ATOM 728 OE2 GLU A 48 5.597 -13.108 10.136 1.00 0.00 O ATOM 0 H GLU A 48 3.087 -9.671 8.671 1.00 0.00 H new ATOM 0 HA GLU A 48 4.699 -8.179 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.376 -10.354 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.573 -9.621 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.163 -10.282 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.089 -11.124 10.368 1.00 0.00 H new ATOM 735 N GLU A 49 4.934 -7.382 7.263 1.00 0.00 N ATOM 736 CA GLU A 49 5.434 -6.363 6.361 1.00 0.00 C ATOM 737 C GLU A 49 5.123 -5.015 6.944 1.00 0.00 C ATOM 738 O GLU A 49 6.007 -4.205 7.155 1.00 0.00 O ATOM 739 CB GLU A 49 4.792 -6.474 4.974 1.00 0.00 C ATOM 740 CG GLU A 49 5.101 -7.762 4.235 1.00 0.00 C ATOM 741 CD GLU A 49 6.582 -8.015 4.020 1.00 0.00 C ATOM 742 OE1 GLU A 49 7.411 -7.141 4.292 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.915 -9.109 3.549 1.00 0.00 O ATOM 0 H GLU A 49 4.203 -7.974 6.869 1.00 0.00 H new ATOM 0 HA GLU A 49 6.509 -6.499 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.711 -6.382 5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.125 -5.633 4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.678 -8.598 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.603 -7.740 3.266 1.00 0.00 H new ATOM 750 N LEU A 50 3.857 -4.818 7.290 1.00 0.00 N ATOM 751 CA LEU A 50 3.421 -3.559 7.842 1.00 0.00 C ATOM 752 C LEU A 50 3.998 -3.284 9.196 1.00 0.00 C ATOM 753 O LEU A 50 4.143 -2.148 9.561 1.00 0.00 O ATOM 754 CB LEU A 50 1.916 -3.389 7.837 1.00 0.00 C ATOM 755 CG LEU A 50 1.292 -3.217 6.467 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.211 -3.023 6.595 1.00 0.00 C ATOM 757 CD2 LEU A 50 1.943 -2.037 5.742 1.00 0.00 C ATOM 0 H LEU A 50 3.121 -5.518 7.195 1.00 0.00 H new ATOM 0 HA LEU A 50 3.821 -2.805 7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.466 -4.258 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.662 -2.521 8.446 1.00 0.00 H new ATOM 0 HG LEU A 50 1.465 -4.117 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.648 -2.901 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.650 -3.895 7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.414 -2.135 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.489 -1.920 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.793 -1.126 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.011 -2.224 5.629 1.00 0.00 H new ATOM 769 N ARG A 51 4.339 -4.319 9.926 1.00 0.00 N ATOM 770 CA ARG A 51 5.026 -4.142 11.193 1.00 0.00 C ATOM 771 C ARG A 51 6.390 -3.510 10.959 1.00 0.00 C ATOM 772 O ARG A 51 6.815 -2.635 11.710 1.00 0.00 O ATOM 773 CB ARG A 51 5.132 -5.458 11.972 1.00 0.00 C ATOM 774 CG ARG A 51 3.812 -5.944 12.553 1.00 0.00 C ATOM 775 CD ARG A 51 3.268 -4.951 13.569 1.00 0.00 C ATOM 776 NE ARG A 51 2.003 -5.384 14.163 1.00 0.00 N ATOM 777 CZ ARG A 51 1.410 -4.797 15.211 1.00 0.00 C ATOM 778 NH1 ARG A 51 2.038 -3.837 15.885 1.00 0.00 N ATOM 779 NH2 ARG A 51 0.208 -5.204 15.604 1.00 0.00 N ATOM 0 H ARG A 51 4.155 -5.289 9.671 1.00 0.00 H new ATOM 0 HA ARG A 51 4.437 -3.466 11.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.531 -6.228 11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.849 -5.331 12.783 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.087 -6.084 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.954 -6.915 13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.005 -4.806 14.359 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.125 -3.985 13.085 1.00 0.00 H new ATOM 0 HE ARG A 51 1.539 -6.192 13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.974 -3.546 15.604 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.583 -3.392 16.682 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.261 -5.962 15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.246 -4.759 16.402 1.00 0.00 H new ATOM 793 N PHE A 52 7.038 -3.910 9.876 1.00 0.00 N ATOM 794 CA PHE A 52 8.296 -3.312 9.495 1.00 0.00 C ATOM 795 C PHE A 52 8.056 -1.893 8.986 1.00 0.00 C ATOM 796 O PHE A 52 8.900 -1.002 9.176 1.00 0.00 O ATOM 797 CB PHE A 52 9.029 -4.157 8.446 1.00 0.00 C ATOM 798 CG PHE A 52 10.338 -3.561 8.002 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.459 -3.642 8.807 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.437 -2.899 6.794 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.653 -3.079 8.409 1.00 0.00 C ATOM 802 CE2 PHE A 52 11.629 -2.335 6.395 1.00 0.00 C ATOM 803 CZ PHE A 52 12.737 -2.425 7.203 1.00 0.00 C ATOM 0 H PHE A 52 6.710 -4.645 9.250 1.00 0.00 H new ATOM 0 HA PHE A 52 8.938 -3.271 10.375 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.212 -5.151 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.383 -4.283 7.577 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.399 -4.151 9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.570 -2.823 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.523 -3.152 9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.693 -1.822 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.672 -1.983 6.891 1.00 0.00 H new ATOM 813 N LEU A 53 6.891 -1.668 8.357 1.00 0.00 N ATOM 814 CA LEU A 53 6.535 -0.339 7.910 1.00 0.00 C ATOM 815 C LEU A 53 6.405 0.556 9.098 1.00 0.00 C ATOM 816 O LEU A 53 7.073 1.536 9.181 1.00 0.00 O ATOM 817 CB LEU A 53 5.248 -0.276 7.030 1.00 0.00 C ATOM 818 CG LEU A 53 5.401 -0.522 5.502 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.355 0.469 4.885 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.844 -1.923 5.169 1.00 0.00 C ATOM 0 H LEU A 53 6.197 -2.388 8.155 1.00 0.00 H new ATOM 0 HA LEU A 53 7.340 -0.002 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.541 -1.009 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.796 0.706 7.167 1.00 0.00 H new ATOM 0 HG LEU A 53 4.406 -0.385 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.442 0.273 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.979 1.480 5.039 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.334 0.371 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.932 -2.030 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.811 -2.119 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.110 -2.636 5.545 1.00 0.00 H new ATOM 832 N LEU A 54 5.599 0.158 10.046 1.00 0.00 N ATOM 833 CA LEU A 54 5.361 0.923 11.267 1.00 0.00 C ATOM 834 C LEU A 54 6.669 1.266 12.003 1.00 0.00 C ATOM 835 O LEU A 54 6.787 2.352 12.589 1.00 0.00 O ATOM 836 CB LEU A 54 4.391 0.178 12.186 1.00 0.00 C ATOM 837 CG LEU A 54 3.050 -0.226 11.549 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.105 -0.836 12.568 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.402 0.943 10.810 1.00 0.00 C ATOM 0 H LEU A 54 5.076 -0.717 10.003 1.00 0.00 H new ATOM 0 HA LEU A 54 4.906 1.870 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.885 -0.722 12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.186 0.805 13.054 1.00 0.00 H new ATOM 0 HG LEU A 54 3.266 -0.996 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.169 -1.108 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.561 -1.727 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.905 -0.112 13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.457 0.619 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.218 1.758 11.509 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.068 1.287 10.019 1.00 0.00 H new ATOM 851 N ASP A 55 7.653 0.365 11.942 1.00 0.00 N ATOM 852 CA ASP A 55 8.969 0.635 12.541 1.00 0.00 C ATOM 853 C ASP A 55 9.712 1.715 11.763 1.00 0.00 C ATOM 854 O ASP A 55 10.323 2.609 12.345 1.00 0.00 O ATOM 855 CB ASP A 55 9.879 -0.615 12.613 1.00 0.00 C ATOM 856 CG ASP A 55 9.444 -1.671 13.603 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.001 -1.322 14.728 1.00 0.00 O ATOM 858 OD2 ASP A 55 9.615 -2.881 13.313 1.00 0.00 O ATOM 0 H ASP A 55 7.569 -0.546 11.491 1.00 0.00 H new ATOM 0 HA ASP A 55 8.758 0.965 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.928 -1.067 11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.889 -0.295 12.868 1.00 0.00 H new ATOM 863 N SER A 56 9.647 1.639 10.455 1.00 0.00 N ATOM 864 CA SER A 56 10.379 2.552 9.601 1.00 0.00 C ATOM 865 C SER A 56 9.653 3.900 9.404 1.00 0.00 C ATOM 866 O SER A 56 10.295 4.959 9.377 1.00 0.00 O ATOM 867 CB SER A 56 10.717 1.868 8.273 1.00 0.00 C ATOM 868 OG SER A 56 9.579 1.234 7.707 1.00 0.00 O ATOM 0 H SER A 56 9.090 0.948 9.952 1.00 0.00 H new ATOM 0 HA SER A 56 11.313 2.804 10.103 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.109 2.605 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.503 1.130 8.433 1.00 0.00 H new ATOM 0 HG SER A 56 9.435 0.369 8.145 1.00 0.00 H new ATOM 874 N ILE A 57 8.331 3.840 9.320 1.00 0.00 N ATOM 875 CA ILE A 57 7.453 4.997 9.132 1.00 0.00 C ATOM 876 C ILE A 57 7.684 6.068 10.208 1.00 0.00 C ATOM 877 O ILE A 57 7.728 7.266 9.894 1.00 0.00 O ATOM 878 CB ILE A 57 5.942 4.558 9.129 1.00 0.00 C ATOM 879 CG1 ILE A 57 5.575 3.713 7.896 1.00 0.00 C ATOM 880 CG2 ILE A 57 5.012 5.727 9.252 1.00 0.00 C ATOM 881 CD1 ILE A 57 5.755 4.406 6.575 1.00 0.00 C ATOM 0 H ILE A 57 7.820 2.960 9.382 1.00 0.00 H new ATOM 0 HA ILE A 57 7.699 5.432 8.163 1.00 0.00 H new ATOM 0 HB ILE A 57 5.817 3.930 10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.183 2.808 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.535 3.399 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.981 5.374 9.245 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.210 6.252 10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.168 6.406 8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.471 3.731 5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.126 5.295 6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.799 4.695 6.455 1.00 0.00 H new ATOM 893 N LYS A 58 7.809 5.629 11.471 1.00 0.00 N ATOM 894 CA LYS A 58 8.058 6.522 12.620 1.00 0.00 C ATOM 895 C LYS A 58 6.850 7.427 12.951 1.00 0.00 C ATOM 896 O LYS A 58 6.180 7.221 13.956 1.00 0.00 O ATOM 897 CB LYS A 58 9.363 7.351 12.411 1.00 0.00 C ATOM 898 CG LYS A 58 9.615 8.480 13.417 1.00 0.00 C ATOM 899 CD LYS A 58 9.760 7.983 14.844 1.00 0.00 C ATOM 900 CE LYS A 58 10.005 9.140 15.810 1.00 0.00 C ATOM 901 NZ LYS A 58 8.891 10.121 15.818 1.00 0.00 N ATOM 0 H LYS A 58 7.741 4.644 11.727 1.00 0.00 H new ATOM 0 HA LYS A 58 8.200 5.883 13.491 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.212 6.668 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.338 7.783 11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.519 9.018 13.132 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.792 9.193 13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.859 7.445 15.138 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.587 7.275 14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.144 8.745 16.816 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.930 9.648 15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.995 10.758 16.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.912 10.677 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.984 9.616 15.887 1.00 0.00 H new ATOM 915 N GLU A 59 6.570 8.382 12.084 1.00 0.00 N ATOM 916 CA GLU A 59 5.541 9.390 12.314 1.00 0.00 C ATOM 917 C GLU A 59 4.149 8.770 12.330 1.00 0.00 C ATOM 918 O GLU A 59 3.354 9.086 13.180 1.00 0.00 O ATOM 919 CB GLU A 59 5.643 10.492 11.254 1.00 0.00 C ATOM 920 CG GLU A 59 7.034 11.120 11.155 1.00 0.00 C ATOM 921 CD GLU A 59 7.122 12.239 10.137 1.00 0.00 C ATOM 922 OE1 GLU A 59 6.170 12.429 9.360 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.145 12.962 10.109 1.00 0.00 O ATOM 0 H GLU A 59 7.052 8.484 11.191 1.00 0.00 H new ATOM 0 HA GLU A 59 5.707 9.833 13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.371 10.077 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.917 11.272 11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.320 11.506 12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.756 10.346 10.895 1.00 0.00 H new ATOM 930 N LYS A 60 3.875 7.896 11.366 1.00 0.00 N ATOM 931 CA LYS A 60 2.607 7.132 11.244 1.00 0.00 C ATOM 932 C LYS A 60 1.394 7.979 10.852 1.00 0.00 C ATOM 933 O LYS A 60 0.689 7.633 9.918 1.00 0.00 O ATOM 934 CB LYS A 60 2.289 6.272 12.491 1.00 0.00 C ATOM 935 CG LYS A 60 3.364 5.243 12.844 1.00 0.00 C ATOM 936 CD LYS A 60 2.906 4.275 13.941 1.00 0.00 C ATOM 937 CE LYS A 60 2.475 4.991 15.222 1.00 0.00 C ATOM 938 NZ LYS A 60 2.105 4.037 16.292 1.00 0.00 N ATOM 0 H LYS A 60 4.538 7.683 10.620 1.00 0.00 H new ATOM 0 HA LYS A 60 2.798 6.456 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.143 6.933 13.345 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.346 5.751 12.326 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.629 4.677 11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.265 5.761 13.173 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.075 3.677 13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.717 3.585 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.286 5.630 15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.627 5.641 15.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.323 4.431 16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.807 3.136 15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.925 3.873 16.910 1.00 0.00 H new ATOM 952 N TYR A 61 1.202 9.106 11.526 1.00 0.00 N ATOM 953 CA TYR A 61 0.016 9.980 11.371 1.00 0.00 C ATOM 954 C TYR A 61 -0.098 10.659 9.998 1.00 0.00 C ATOM 955 O TYR A 61 -1.017 11.452 9.768 1.00 0.00 O ATOM 956 CB TYR A 61 -0.028 11.043 12.478 1.00 0.00 C ATOM 957 CG TYR A 61 -0.100 10.476 13.877 1.00 0.00 C ATOM 958 CD1 TYR A 61 -1.316 10.196 14.477 1.00 0.00 C ATOM 959 CD2 TYR A 61 1.052 10.218 14.587 1.00 0.00 C ATOM 960 CE1 TYR A 61 -1.371 9.672 15.754 1.00 0.00 C ATOM 961 CE2 TYR A 61 1.018 9.696 15.853 1.00 0.00 C ATOM 962 CZ TYR A 61 -0.202 9.422 16.440 1.00 0.00 C ATOM 963 OH TYR A 61 -0.256 8.895 17.714 1.00 0.00 O ATOM 0 H TYR A 61 1.871 9.456 12.212 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.841 9.311 11.455 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.859 11.672 12.398 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.892 11.687 12.314 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.233 10.390 13.940 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.008 10.433 14.133 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.325 9.459 16.213 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.936 9.501 16.387 1.00 0.00 H new ATOM 0 HH TYR A 61 0.654 8.777 18.058 1.00 0.00 H new ATOM 973 N ASN A 62 0.815 10.362 9.099 1.00 0.00 N ATOM 974 CA ASN A 62 0.723 10.884 7.739 1.00 0.00 C ATOM 975 C ASN A 62 -0.215 9.979 6.938 1.00 0.00 C ATOM 976 O ASN A 62 -1.114 9.332 7.492 1.00 0.00 O ATOM 977 CB ASN A 62 2.089 10.920 7.008 1.00 0.00 C ATOM 978 CG ASN A 62 3.165 11.762 7.636 1.00 0.00 C ATOM 979 OD1 ASN A 62 3.171 12.967 7.481 1.00 0.00 O ATOM 980 ND2 ASN A 62 4.151 11.122 8.215 1.00 0.00 N ATOM 0 H ASN A 62 1.625 9.768 9.275 1.00 0.00 H new ATOM 0 HA ASN A 62 0.357 11.908 7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.459 9.898 6.927 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.923 11.280 5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.963 11.637 8.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.106 10.109 8.325 1.00 0.00 H new ATOM 987 N SER A 63 -0.020 9.945 5.653 1.00 0.00 N ATOM 988 CA SER A 63 -0.792 9.116 4.773 1.00 0.00 C ATOM 989 C SER A 63 0.133 8.713 3.649 1.00 0.00 C ATOM 990 O SER A 63 0.692 9.586 2.986 1.00 0.00 O ATOM 991 CB SER A 63 -1.995 9.895 4.225 1.00 0.00 C ATOM 992 OG SER A 63 -2.784 10.445 5.276 1.00 0.00 O ATOM 0 H SER A 63 0.691 10.501 5.178 1.00 0.00 H new ATOM 0 HA SER A 63 -1.183 8.242 5.294 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.645 10.696 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.610 9.234 3.615 1.00 0.00 H new ATOM 0 HG SER A 63 -3.541 10.936 4.894 1.00 0.00 H new ATOM 998 N PHE A 64 0.369 7.426 3.497 1.00 0.00 N ATOM 999 CA PHE A 64 1.280 6.949 2.467 1.00 0.00 C ATOM 1000 C PHE A 64 0.568 5.954 1.579 1.00 0.00 C ATOM 1001 O PHE A 64 0.161 4.894 2.051 1.00 0.00 O ATOM 1002 CB PHE A 64 2.497 6.254 3.082 1.00 0.00 C ATOM 1003 CG PHE A 64 3.011 6.888 4.329 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.786 8.018 4.293 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.684 6.346 5.543 1.00 0.00 C ATOM 1006 CE1 PHE A 64 4.223 8.592 5.461 1.00 0.00 C ATOM 1007 CE2 PHE A 64 3.108 6.891 6.704 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.884 8.024 6.677 1.00 0.00 C ATOM 0 H PHE A 64 -0.052 6.693 4.067 1.00 0.00 H new ATOM 0 HA PHE A 64 1.612 7.813 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.236 5.218 3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.299 6.234 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.053 8.458 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.070 5.458 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.830 9.485 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.839 6.439 7.647 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.228 8.469 7.599 1.00 0.00 H new ATOM 1018 N TRP A 65 0.397 6.304 0.331 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.249 5.452 -0.646 1.00 0.00 C ATOM 1020 C TRP A 65 0.490 4.135 -0.811 1.00 0.00 C ATOM 1021 O TRP A 65 1.734 4.105 -0.874 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.274 6.116 -2.031 1.00 0.00 C ATOM 1023 CG TRP A 65 -0.993 7.424 -2.134 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.445 8.634 -2.457 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.389 7.658 -1.933 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.415 9.598 -2.485 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.617 9.027 -2.160 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.473 6.842 -1.584 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -3.873 9.592 -2.054 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.722 7.411 -1.478 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -4.910 8.773 -1.713 1.00 0.00 C ATOM 0 H TRP A 65 0.705 7.201 -0.045 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.260 5.283 -0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.756 6.267 -2.355 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.731 5.420 -2.734 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.602 8.804 -2.661 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.267 10.582 -2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.331 5.787 -1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.029 10.645 -2.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.567 6.795 -1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.902 9.190 -1.623 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.253 3.061 -0.850 1.00 0.00 N ATOM 1043 CA ILE A 66 0.304 1.791 -1.221 1.00 0.00 C ATOM 1044 C ILE A 66 -0.395 1.372 -2.505 1.00 0.00 C ATOM 1045 O ILE A 66 -1.385 2.013 -2.883 1.00 0.00 O ATOM 1046 CB ILE A 66 0.251 0.660 -0.113 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.188 0.245 0.302 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.052 1.091 1.125 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.858 1.149 1.324 1.00 0.00 C ATOM 0 H ILE A 66 -1.248 3.042 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 66 1.378 1.919 -1.359 1.00 0.00 H new ATOM 0 HB ILE A 66 0.701 -0.223 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.810 0.212 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.154 -0.767 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.008 0.305 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.090 1.266 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.627 2.009 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.857 0.772 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.266 1.165 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.933 2.160 0.922 1.00 0.00 H new ATOM 1061 N GLY A 67 0.060 0.332 -3.168 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.488 -0.015 -4.479 1.00 0.00 C ATOM 1063 C GLY A 67 -1.835 -0.720 -4.434 1.00 0.00 C ATOM 1064 O GLY A 67 -2.021 -1.719 -5.107 1.00 0.00 O ATOM 0 H GLY A 67 0.799 -0.287 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.589 0.896 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.225 -0.655 -4.999 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.758 -0.172 -3.675 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.086 -0.723 -3.492 1.00 0.00 C ATOM 1070 C LEU A 68 -5.149 0.141 -4.078 1.00 0.00 C ATOM 1071 O LEU A 68 -5.194 1.346 -3.806 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.407 -0.872 -2.014 1.00 0.00 C ATOM 1073 CG LEU A 68 -3.881 -2.090 -1.325 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.161 -1.990 0.165 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -4.551 -3.321 -1.909 1.00 0.00 C ATOM 0 H LEU A 68 -2.604 0.691 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.077 -1.688 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.022 0.005 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.491 -0.860 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.804 -2.167 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.778 -2.878 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.671 -1.104 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.236 -1.916 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.171 -4.213 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.629 -3.253 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.334 -3.382 -2.976 1.00 0.00 H new ATOM 1087 N ARG A 69 -6.016 -0.462 -4.853 1.00 0.00 N ATOM 1088 CA ARG A 69 -7.192 0.214 -5.323 1.00 0.00 C ATOM 1089 C ARG A 69 -8.352 -0.756 -5.397 1.00 0.00 C ATOM 1090 O ARG A 69 -8.189 -1.910 -5.822 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.980 0.963 -6.659 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.560 0.110 -7.838 1.00 0.00 C ATOM 1093 CD ARG A 69 -6.391 0.960 -9.095 1.00 0.00 C ATOM 1094 NE ARG A 69 -7.617 1.718 -9.451 1.00 0.00 N ATOM 1095 CZ ARG A 69 -7.756 2.469 -10.562 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -6.792 2.477 -11.493 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -8.864 3.188 -10.756 1.00 0.00 N ATOM 0 H ARG A 69 -5.925 -1.427 -5.172 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.428 0.992 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.907 1.474 -6.918 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.224 1.733 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.623 -0.397 -7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.306 -0.664 -8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.568 1.659 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.114 0.315 -9.929 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.409 1.667 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.951 1.914 -11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.899 3.046 -12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.611 3.171 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.963 3.754 -11.598 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.489 -0.317 -4.916 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.704 -1.090 -4.972 1.00 0.00 C ATOM 1113 C TYR A 70 -11.161 -1.027 -6.407 1.00 0.00 C ATOM 1114 O TYR A 70 -11.500 0.044 -6.920 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.718 -0.460 -3.990 1.00 0.00 C ATOM 1116 CG TYR A 70 -13.110 -1.072 -3.904 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -13.324 -2.431 -3.665 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -14.211 -0.262 -4.038 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.625 -2.944 -3.572 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.494 -0.762 -3.943 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.706 -2.087 -3.715 1.00 0.00 C ATOM 1122 OH TYR A 70 -17.016 -2.558 -3.596 1.00 0.00 O ATOM 0 H TYR A 70 -9.598 0.594 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.581 -2.132 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.279 -0.490 -2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.832 0.591 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.479 -3.093 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.069 0.793 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.784 -3.997 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.337 -0.096 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.540 -2.268 -4.372 1.00 0.00 H new ATOM 1132 N THR A 71 -11.121 -2.144 -7.061 1.00 0.00 N ATOM 1133 CA THR A 71 -11.342 -2.178 -8.472 1.00 0.00 C ATOM 1134 C THR A 71 -12.737 -2.609 -8.844 1.00 0.00 C ATOM 1135 O THR A 71 -13.221 -3.633 -8.367 1.00 0.00 O ATOM 1136 CB THR A 71 -10.279 -3.046 -9.173 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.104 -4.311 -8.479 1.00 0.00 O ATOM 1138 CG2 THR A 71 -8.949 -2.317 -9.232 1.00 0.00 C ATOM 0 H THR A 71 -10.936 -3.053 -6.636 1.00 0.00 H new ATOM 0 HA THR A 71 -11.241 -1.152 -8.827 1.00 0.00 H new ATOM 0 HB THR A 71 -10.627 -3.243 -10.187 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.941 -4.558 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.211 -2.946 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.068 -1.387 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.611 -2.094 -8.220 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.408 -1.790 -9.627 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.723 -2.115 -10.121 1.00 0.00 C ATOM 1148 C LEU A 72 -14.731 -2.120 -11.651 1.00 0.00 C ATOM 1149 O LEU A 72 -14.026 -1.320 -12.274 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.779 -1.157 -9.568 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.899 -1.107 -8.044 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -17.036 -0.232 -7.640 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -16.110 -2.485 -7.474 1.00 0.00 C ATOM 0 H LEU A 72 -13.056 -0.884 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.978 -3.116 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.556 -0.153 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.748 -1.437 -9.981 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.967 -0.699 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -17.108 -0.207 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.870 0.778 -8.016 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.964 -0.626 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.192 -2.421 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.026 -2.911 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.265 -3.121 -7.737 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.493 -3.026 -12.275 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.283 -4.019 -11.582 1.00 0.00 C ATOM 1167 C PRO A 73 -15.437 -5.243 -11.269 1.00 0.00 C ATOM 1168 O PRO A 73 -14.808 -5.825 -12.164 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.400 -4.359 -12.585 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.084 -3.578 -13.832 1.00 0.00 C ATOM 1171 CD PRO A 73 -15.647 -3.162 -13.714 1.00 0.00 C ATOM 0 HA PRO A 73 -16.673 -3.669 -10.626 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.428 -5.429 -12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.378 -4.085 -12.189 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.241 -4.187 -14.722 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.735 -2.708 -13.922 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.970 -3.909 -14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.448 -2.226 -14.237 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.432 -5.617 -10.015 1.00 0.00 N ATOM 1180 CA ASP A 74 -14.602 -6.693 -9.502 1.00 0.00 C ATOM 1181 C ASP A 74 -14.886 -6.848 -8.027 1.00 0.00 C ATOM 1182 O ASP A 74 -15.144 -7.936 -7.550 1.00 0.00 O ATOM 1183 CB ASP A 74 -13.120 -6.361 -9.720 1.00 0.00 C ATOM 1184 CG ASP A 74 -12.178 -7.391 -9.190 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -12.036 -8.451 -9.811 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -11.497 -7.119 -8.201 1.00 0.00 O ATOM 0 H ASP A 74 -16.014 -5.177 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.826 -7.622 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.940 -6.236 -10.788 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.900 -5.405 -9.245 1.00 0.00 H new ATOM 1191 N MET A 75 -14.871 -5.709 -7.329 1.00 0.00 N ATOM 1192 CA MET A 75 -15.156 -5.603 -5.882 1.00 0.00 C ATOM 1193 C MET A 75 -14.069 -6.178 -4.999 1.00 0.00 C ATOM 1194 O MET A 75 -14.265 -6.397 -3.810 1.00 0.00 O ATOM 1195 CB MET A 75 -16.558 -6.114 -5.497 1.00 0.00 C ATOM 1196 CG MET A 75 -17.663 -5.084 -5.719 1.00 0.00 C ATOM 1197 SD MET A 75 -19.319 -5.706 -5.356 1.00 0.00 S ATOM 1198 CE MET A 75 -19.501 -6.980 -6.596 1.00 0.00 C ATOM 0 H MET A 75 -14.656 -4.809 -7.758 1.00 0.00 H new ATOM 0 HA MET A 75 -15.157 -4.531 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.783 -7.008 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.553 -6.410 -4.448 1.00 0.00 H new ATOM 0 HG2 MET A 75 -17.467 -4.213 -5.094 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.630 -4.747 -6.755 1.00 0.00 H new ATOM 0 HE1 MET A 75 -20.556 -7.228 -6.711 1.00 0.00 H new ATOM 0 HE2 MET A 75 -19.107 -6.621 -7.547 1.00 0.00 H new ATOM 0 HE3 MET A 75 -18.951 -7.869 -6.288 1.00 0.00 H new ATOM 1208 N ASN A 76 -12.914 -6.372 -5.568 1.00 0.00 N ATOM 1209 CA ASN A 76 -11.760 -6.755 -4.809 1.00 0.00 C ATOM 1210 C ASN A 76 -10.739 -5.666 -4.924 1.00 0.00 C ATOM 1211 O ASN A 76 -10.811 -4.805 -5.838 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.145 -8.083 -5.281 1.00 0.00 C ATOM 1213 CG ASN A 76 -11.990 -9.299 -4.981 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -11.764 -9.901 -3.855 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 -12.831 -9.703 -5.765 1.00 0.00 N flip ATOM 0 H ASN A 76 -12.746 -6.269 -6.569 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.073 -6.903 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.974 -8.029 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.170 -8.207 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.988 -9.210 -6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.378 -10.535 -5.542 1.00 0.00 H new ATOM 1222 N TRP A 77 -9.818 -5.657 -4.015 1.00 0.00 N ATOM 1223 CA TRP A 77 -8.752 -4.714 -4.046 1.00 0.00 C ATOM 1224 C TRP A 77 -7.588 -5.347 -4.719 1.00 0.00 C ATOM 1225 O TRP A 77 -6.976 -6.295 -4.189 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.345 -4.275 -2.655 1.00 0.00 C ATOM 1227 CG TRP A 77 -9.372 -3.502 -1.915 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -10.533 -3.975 -1.392 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.308 -2.116 -1.571 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.203 -2.966 -0.766 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -10.472 -1.813 -0.858 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -8.377 -1.101 -1.806 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -10.738 -0.534 -0.371 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -8.637 0.163 -1.324 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -9.809 0.437 -0.614 1.00 0.00 C ATOM 0 H TRP A 77 -9.786 -6.306 -3.229 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.088 -3.829 -4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.088 -5.159 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.442 -3.670 -2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.874 -4.997 -1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.107 -3.056 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.470 -1.304 -2.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.644 -0.319 0.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.924 0.955 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.984 1.438 -0.250 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.303 -4.891 -5.882 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.191 -5.396 -6.582 1.00 0.00 C ATOM 1248 C LYS A 78 -5.045 -4.481 -6.439 1.00 0.00 C ATOM 1249 O LYS A 78 -5.212 -3.241 -6.335 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.474 -5.690 -8.058 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.340 -6.914 -8.272 1.00 0.00 C ATOM 1252 CD LYS A 78 -7.353 -7.362 -9.733 1.00 0.00 C ATOM 1253 CE LYS A 78 -8.029 -6.362 -10.653 1.00 0.00 C ATOM 1254 NZ LYS A 78 -9.449 -6.173 -10.313 1.00 0.00 N ATOM 0 H LYS A 78 -7.830 -4.165 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.950 -6.358 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.963 -4.825 -8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.528 -5.827 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.975 -7.729 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.359 -6.697 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.328 -7.521 -10.068 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.865 -8.321 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.511 -5.405 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.945 -6.704 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.922 -5.648 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.905 -7.101 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.525 -5.637 -9.425 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.893 -5.059 -6.380 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.718 -4.285 -6.327 1.00 0.00 C ATOM 1270 C TRP A 79 -2.324 -3.944 -7.734 1.00 0.00 C ATOM 1271 O TRP A 79 -2.807 -4.565 -8.695 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.550 -5.008 -5.658 1.00 0.00 C ATOM 1273 CG TRP A 79 -1.790 -5.542 -4.292 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.303 -6.750 -3.982 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.494 -4.906 -3.050 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.336 -6.921 -2.639 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -1.860 -5.800 -2.036 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -0.961 -3.669 -2.694 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -1.712 -5.502 -0.698 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.816 -3.374 -1.363 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.193 -4.287 -0.381 1.00 0.00 C ATOM 0 H TRP A 79 -3.749 -6.069 -6.368 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.932 -3.399 -5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.250 -5.837 -6.300 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.706 -4.320 -5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.640 -7.479 -4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -2.665 -7.757 -2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.668 -2.957 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -1.998 -6.207 0.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.403 -2.419 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.070 -4.022 0.659 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.431 -3.011 -7.864 1.00 0.00 N ATOM 1293 CA ILE A 80 -0.920 -2.592 -9.164 1.00 0.00 C ATOM 1294 C ILE A 80 -0.198 -3.729 -9.896 1.00 0.00 C ATOM 1295 O ILE A 80 -0.064 -3.701 -11.105 1.00 0.00 O ATOM 1296 CB ILE A 80 0.040 -1.414 -9.037 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.204 -1.792 -8.130 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.696 -0.197 -8.494 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.306 -0.800 -8.130 1.00 0.00 C ATOM 0 H ILE A 80 -1.024 -2.507 -7.076 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.794 -2.293 -9.743 1.00 0.00 H new ATOM 0 HB ILE A 80 0.435 -1.163 -10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.835 -1.912 -7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.598 -2.759 -8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.002 0.639 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.505 0.072 -9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.109 -0.430 -7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.099 -1.137 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.702 -0.696 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.928 0.164 -7.788 1.00 0.00 H new ATOM 1311 N ASN A 81 0.251 -4.733 -9.151 1.00 0.00 N ATOM 1312 CA ASN A 81 0.954 -5.854 -9.758 1.00 0.00 C ATOM 1313 C ASN A 81 -0.046 -6.925 -10.201 1.00 0.00 C ATOM 1314 O ASN A 81 0.330 -7.969 -10.705 1.00 0.00 O ATOM 1315 CB ASN A 81 2.024 -6.465 -8.812 1.00 0.00 C ATOM 1316 CG ASN A 81 1.473 -7.336 -7.688 1.00 0.00 C ATOM 1317 OD1 ASN A 81 1.315 -8.538 -7.837 1.00 0.00 O ATOM 1318 ND2 ASN A 81 1.206 -6.751 -6.561 1.00 0.00 N ATOM 0 H ASN A 81 0.142 -4.793 -8.139 1.00 0.00 H new ATOM 0 HA ASN A 81 1.484 -5.472 -10.630 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.715 -7.062 -9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.603 -5.653 -8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.855 -7.297 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.347 -5.746 -6.462 1.00 0.00 H new ATOM 1325 N GLY A 82 -1.330 -6.644 -9.996 1.00 0.00 N ATOM 1326 CA GLY A 82 -2.381 -7.568 -10.385 1.00 0.00 C ATOM 1327 C GLY A 82 -2.711 -8.568 -9.300 1.00 0.00 C ATOM 1328 O GLY A 82 -3.503 -9.488 -9.508 1.00 0.00 O ATOM 0 H GLY A 82 -1.663 -5.783 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.279 -7.004 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.075 -8.102 -11.285 1.00 0.00 H new ATOM 1332 N SER A 83 -2.128 -8.382 -8.137 1.00 0.00 N ATOM 1333 CA SER A 83 -2.326 -9.303 -7.057 1.00 0.00 C ATOM 1334 C SER A 83 -3.597 -8.985 -6.259 1.00 0.00 C ATOM 1335 O SER A 83 -4.342 -8.036 -6.564 1.00 0.00 O ATOM 1336 CB SER A 83 -1.115 -9.324 -6.129 1.00 0.00 C ATOM 1337 OG SER A 83 -1.194 -10.410 -5.244 1.00 0.00 O ATOM 0 H SER A 83 -1.513 -7.597 -7.921 1.00 0.00 H new ATOM 0 HA SER A 83 -2.448 -10.291 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.200 -9.392 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.064 -8.392 -5.567 1.00 0.00 H new ATOM 0 HG SER A 83 -0.379 -10.449 -4.701 1.00 0.00 H new ATOM 1343 N THR A 84 -3.771 -9.749 -5.230 1.00 0.00 N ATOM 1344 CA THR A 84 -4.888 -9.753 -4.370 1.00 0.00 C ATOM 1345 C THR A 84 -4.503 -9.223 -2.974 1.00 0.00 C ATOM 1346 O THR A 84 -3.497 -9.642 -2.391 1.00 0.00 O ATOM 1347 CB THR A 84 -5.331 -11.202 -4.255 1.00 0.00 C ATOM 1348 OG1 THR A 84 -5.650 -11.693 -5.567 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.520 -11.349 -3.363 1.00 0.00 C ATOM 0 H THR A 84 -3.072 -10.440 -4.955 1.00 0.00 H new ATOM 0 HA THR A 84 -5.679 -9.113 -4.761 1.00 0.00 H new ATOM 0 HB THR A 84 -4.516 -11.778 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 84 -6.127 -12.546 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.805 -12.400 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.273 -10.987 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.350 -10.768 -3.765 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.253 -8.250 -2.505 1.00 0.00 N ATOM 1358 CA LEU A 85 -5.089 -7.683 -1.166 1.00 0.00 C ATOM 1359 C LEU A 85 -5.335 -8.685 -0.043 1.00 0.00 C ATOM 1360 O LEU A 85 -6.351 -9.386 -0.021 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.046 -6.507 -0.962 1.00 0.00 C ATOM 1362 CG LEU A 85 -6.173 -5.982 0.487 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -4.864 -5.420 1.012 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -7.282 -4.968 0.598 1.00 0.00 C ATOM 0 H LEU A 85 -6.005 -7.819 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.048 -7.364 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.720 -5.684 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.036 -6.805 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.426 -6.836 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.004 -5.064 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.103 -6.200 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.544 -4.592 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.350 -4.615 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.072 -4.126 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.227 -5.429 0.309 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.423 -8.695 0.911 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.609 -9.425 2.141 1.00 0.00 C ATOM 1378 C ASN A 86 -5.467 -8.541 3.036 1.00 0.00 C ATOM 1379 O ASN A 86 -4.953 -7.716 3.796 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.272 -9.683 2.843 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.368 -10.662 4.001 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.420 -10.831 4.628 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -2.270 -11.293 4.308 1.00 0.00 N ATOM 0 H ASN A 86 -3.535 -8.197 0.851 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.070 -10.391 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.557 -10.065 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.877 -8.736 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.261 -11.951 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.420 -11.129 3.769 1.00 0.00 H new ATOM 1390 N SER A 87 -6.765 -8.653 2.896 1.00 0.00 N ATOM 1391 CA SER A 87 -7.695 -7.804 3.628 1.00 0.00 C ATOM 1392 C SER A 87 -7.742 -8.148 5.125 1.00 0.00 C ATOM 1393 O SER A 87 -8.325 -7.422 5.920 1.00 0.00 O ATOM 1394 CB SER A 87 -9.081 -7.941 3.008 1.00 0.00 C ATOM 1395 OG SER A 87 -9.034 -7.695 1.613 1.00 0.00 O ATOM 0 H SER A 87 -7.213 -9.329 2.277 1.00 0.00 H new ATOM 0 HA SER A 87 -7.349 -6.773 3.553 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.470 -8.943 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.768 -7.240 3.483 1.00 0.00 H new ATOM 0 HG SER A 87 -9.484 -6.847 1.415 1.00 0.00 H new ATOM 1401 N ASP A 88 -7.121 -9.243 5.487 1.00 0.00 N ATOM 1402 CA ASP A 88 -7.171 -9.761 6.839 1.00 0.00 C ATOM 1403 C ASP A 88 -6.254 -9.047 7.816 1.00 0.00 C ATOM 1404 O ASP A 88 -6.402 -9.218 9.027 1.00 0.00 O ATOM 1405 CB ASP A 88 -6.898 -11.268 6.857 1.00 0.00 C ATOM 1406 CG ASP A 88 -7.934 -12.037 6.085 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -9.077 -12.180 6.578 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -7.648 -12.489 4.948 1.00 0.00 O ATOM 0 H ASP A 88 -6.561 -9.808 4.849 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.186 -9.567 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.912 -11.463 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.878 -11.621 7.888 1.00 0.00 H new ATOM 1413 N VAL A 89 -5.311 -8.247 7.323 1.00 0.00 N ATOM 1414 CA VAL A 89 -4.342 -7.636 8.219 1.00 0.00 C ATOM 1415 C VAL A 89 -4.903 -6.450 9.044 1.00 0.00 C ATOM 1416 O VAL A 89 -4.791 -6.446 10.266 1.00 0.00 O ATOM 1417 CB VAL A 89 -3.010 -7.246 7.494 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -2.395 -8.463 6.823 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -3.207 -6.130 6.477 1.00 0.00 C ATOM 0 H VAL A 89 -5.200 -8.013 6.336 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.108 -8.419 8.940 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.330 -6.871 8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.470 -8.175 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.180 -9.223 7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.093 -8.866 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.254 -5.897 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.921 -6.451 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.588 -5.242 6.981 1.00 0.00 H new ATOM 1429 N LEU A 90 -5.535 -5.489 8.394 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.987 -4.265 9.058 1.00 0.00 C ATOM 1431 C LEU A 90 -7.263 -3.793 8.424 1.00 0.00 C ATOM 1432 O LEU A 90 -7.750 -4.441 7.506 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.917 -3.178 8.930 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.603 -3.432 9.665 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -2.568 -2.394 9.276 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -3.823 -3.387 11.162 1.00 0.00 C ATOM 0 H LEU A 90 -5.751 -5.528 7.398 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.161 -4.473 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.696 -3.039 7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.337 -2.240 9.294 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.240 -4.420 9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.638 -2.590 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.388 -2.444 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.933 -1.401 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.878 -3.570 11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.205 -2.406 11.444 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.544 -4.153 11.447 1.00 0.00 H new ATOM 1448 N LYS A 91 -7.797 -2.669 8.894 1.00 0.00 N ATOM 1449 CA LYS A 91 -9.049 -2.153 8.369 1.00 0.00 C ATOM 1450 C LYS A 91 -8.937 -1.675 6.943 1.00 0.00 C ATOM 1451 O LYS A 91 -8.179 -0.754 6.630 1.00 0.00 O ATOM 1452 CB LYS A 91 -9.674 -1.045 9.217 1.00 0.00 C ATOM 1453 CG LYS A 91 -8.821 0.206 9.409 1.00 0.00 C ATOM 1454 CD LYS A 91 -9.678 1.397 9.827 1.00 0.00 C ATOM 1455 CE LYS A 91 -8.860 2.673 9.898 1.00 0.00 C ATOM 1456 NZ LYS A 91 -9.688 3.853 10.197 1.00 0.00 N ATOM 0 H LYS A 91 -7.381 -2.103 9.634 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.713 -3.017 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.618 -0.751 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.911 -1.455 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.060 0.018 10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.297 0.439 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.495 1.526 9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.129 1.198 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.092 2.567 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.345 2.825 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.085 4.700 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.405 3.972 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.160 3.722 11.115 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.666 -2.325 6.082 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.766 -1.956 4.702 1.00 0.00 C ATOM 1472 C ILE A 92 -11.202 -2.277 4.314 1.00 0.00 C ATOM 1473 O ILE A 92 -11.851 -3.067 5.006 1.00 0.00 O ATOM 1474 CB ILE A 92 -8.754 -2.739 3.791 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.370 -2.768 4.471 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -8.655 -2.059 2.419 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -6.229 -3.259 3.622 1.00 0.00 C ATOM 0 H ILE A 92 -10.220 -3.146 6.327 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.516 -0.904 4.562 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.106 -3.761 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.134 -1.761 4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.436 -3.399 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.952 -2.606 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.636 -2.053 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.307 -1.034 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.307 -3.236 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.429 -4.281 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.123 -2.617 2.748 1.00 0.00 H new ATOM 1489 N THR A 93 -11.717 -1.672 3.283 1.00 0.00 N ATOM 1490 CA THR A 93 -13.100 -1.857 2.936 1.00 0.00 C ATOM 1491 C THR A 93 -13.307 -3.179 2.191 1.00 0.00 C ATOM 1492 O THR A 93 -12.379 -3.733 1.612 1.00 0.00 O ATOM 1493 CB THR A 93 -13.546 -0.716 2.028 1.00 0.00 C ATOM 1494 OG1 THR A 93 -12.787 0.437 2.357 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.007 -0.395 2.262 1.00 0.00 C ATOM 0 H THR A 93 -11.201 -1.045 2.666 1.00 0.00 H new ATOM 0 HA THR A 93 -13.685 -1.872 3.856 1.00 0.00 H new ATOM 0 HB THR A 93 -13.400 -1.009 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 93 -12.938 0.671 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.310 0.421 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 93 -15.612 -1.276 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 93 -15.153 -0.099 3.301 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.501 -3.679 2.237 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.832 -4.826 1.478 1.00 0.00 C ATOM 1505 C GLY A 94 -15.778 -4.438 0.395 1.00 0.00 C ATOM 1506 O GLY A 94 -15.461 -4.517 -0.775 1.00 0.00 O ATOM 0 H GLY A 94 -15.264 -3.302 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.931 -5.267 1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.284 -5.583 2.119 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.920 -3.975 0.810 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.953 -3.514 -0.088 1.00 0.00 C ATOM 1512 C ASP A 95 -18.183 -2.046 0.163 1.00 0.00 C ATOM 1513 O ASP A 95 -18.196 -1.620 1.324 1.00 0.00 O ATOM 1514 CB ASP A 95 -19.241 -4.298 0.166 1.00 0.00 C ATOM 1515 CG ASP A 95 -20.430 -3.809 -0.632 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -21.145 -2.888 -0.157 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.707 -4.366 -1.711 1.00 0.00 O ATOM 0 H ASP A 95 -17.170 -3.903 1.796 1.00 0.00 H new ATOM 0 HA ASP A 95 -17.650 -3.668 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.067 -5.348 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -19.483 -4.245 1.228 1.00 0.00 H new ATOM 1522 N THR A 96 -18.327 -1.272 -0.892 1.00 0.00 N ATOM 1523 CA THR A 96 -18.556 0.165 -0.745 1.00 0.00 C ATOM 1524 C THR A 96 -18.894 0.828 -2.080 1.00 0.00 C ATOM 1525 O THR A 96 -19.475 1.904 -2.098 1.00 0.00 O ATOM 1526 CB THR A 96 -17.336 0.897 -0.083 1.00 0.00 C ATOM 1527 OG1 THR A 96 -17.675 2.251 0.257 1.00 0.00 O ATOM 1528 CG2 THR A 96 -16.116 0.906 -1.007 1.00 0.00 C ATOM 0 H THR A 96 -18.291 -1.602 -1.856 1.00 0.00 H new ATOM 0 HA THR A 96 -19.414 0.264 -0.080 1.00 0.00 H new ATOM 0 HB THR A 96 -17.088 0.344 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 96 -18.456 2.533 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.291 1.421 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 96 -15.822 -0.119 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 96 -16.365 1.423 -1.934 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.506 0.186 -3.178 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.764 0.676 -4.529 1.00 0.00 C ATOM 1538 C GLU A 97 -18.156 2.049 -4.795 1.00 0.00 C ATOM 1539 O GLU A 97 -18.852 3.052 -4.878 1.00 0.00 O ATOM 1540 CB GLU A 97 -20.247 0.622 -4.854 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.787 -0.779 -4.734 1.00 0.00 C ATOM 1542 CD GLU A 97 -20.111 -1.716 -5.690 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -18.976 -2.147 -5.421 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -20.727 -2.039 -6.736 1.00 0.00 O ATOM 0 H GLU A 97 -17.998 -0.698 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.252 0.000 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.793 1.282 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.413 0.992 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.648 -1.137 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.860 -0.774 -4.927 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.850 2.068 -4.929 1.00 0.00 N ATOM 1552 CA ASN A 98 -16.075 3.277 -5.107 1.00 0.00 C ATOM 1553 C ASN A 98 -14.832 2.947 -5.905 1.00 0.00 C ATOM 1554 O ASN A 98 -14.615 1.798 -6.266 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.642 3.886 -3.746 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.726 4.615 -2.940 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -17.638 5.294 -3.599 1.00 0.00 O flip ATOM 1558 ND2 ASN A 98 -16.703 4.597 -1.707 1.00 0.00 N flip ATOM 0 H ASN A 98 -16.281 1.221 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.697 4.005 -5.627 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.240 3.084 -3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.827 4.586 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.985 4.062 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -17.402 5.117 -1.176 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.021 3.942 -6.149 1.00 0.00 N ATOM 1566 CA ASP A 99 -12.745 3.798 -6.865 1.00 0.00 C ATOM 1567 C ASP A 99 -11.622 4.113 -5.870 1.00 0.00 C ATOM 1568 O ASP A 99 -10.522 4.530 -6.218 1.00 0.00 O ATOM 1569 CB ASP A 99 -12.734 4.761 -8.070 1.00 0.00 C ATOM 1570 CG ASP A 99 -11.500 4.650 -8.961 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -11.234 3.549 -9.510 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -10.832 5.684 -9.197 1.00 0.00 O ATOM 0 H ASP A 99 -14.216 4.900 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.605 2.788 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -13.621 4.575 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.809 5.784 -7.701 1.00 0.00 H new ATOM 1577 N SER A 100 -11.939 3.869 -4.620 1.00 0.00 N ATOM 1578 CA SER A 100 -11.093 4.169 -3.488 1.00 0.00 C ATOM 1579 C SER A 100 -9.774 3.399 -3.499 1.00 0.00 C ATOM 1580 O SER A 100 -9.712 2.217 -3.861 1.00 0.00 O ATOM 1581 CB SER A 100 -11.868 3.838 -2.221 1.00 0.00 C ATOM 1582 OG SER A 100 -13.054 4.602 -2.158 1.00 0.00 O ATOM 0 H SER A 100 -12.825 3.440 -4.354 1.00 0.00 H new ATOM 0 HA SER A 100 -10.830 5.226 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.110 2.775 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.251 4.040 -1.346 1.00 0.00 H new ATOM 0 HG SER A 100 -13.544 4.378 -1.339 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.744 4.085 -3.114 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.428 3.533 -2.980 1.00 0.00 C ATOM 1590 C CYS A 101 -7.003 3.661 -1.531 1.00 0.00 C ATOM 1591 O CYS A 101 -7.605 4.443 -0.776 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.476 4.236 -3.945 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.824 5.962 -4.164 1.00 0.00 S ATOM 0 H CYS A 101 -8.795 5.076 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.412 2.475 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.455 4.124 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.524 3.739 -4.914 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.016 2.907 -1.118 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.663 2.884 0.281 1.00 0.00 C ATOM 1600 C ALA A 102 -4.292 3.488 0.570 1.00 0.00 C ATOM 1601 O ALA A 102 -3.392 3.496 -0.289 1.00 0.00 O ATOM 1602 CB ALA A 102 -5.790 1.470 0.843 1.00 0.00 C ATOM 0 H ALA A 102 -5.449 2.309 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.377 3.527 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.520 1.473 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.818 1.126 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.123 0.801 0.299 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.143 3.970 1.792 1.00 0.00 N ATOM 1609 CA ALA A 103 -2.935 4.595 2.273 1.00 0.00 C ATOM 1610 C ALA A 103 -2.713 4.239 3.749 1.00 0.00 C ATOM 1611 O ALA A 103 -3.670 4.027 4.491 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.036 6.114 2.120 1.00 0.00 C ATOM 0 H ALA A 103 -4.884 3.933 2.492 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.092 4.231 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.120 6.578 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.176 6.365 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.884 6.482 2.697 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.469 4.173 4.149 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.071 3.932 5.537 1.00 0.00 C ATOM 1620 C ILE A 104 -1.251 5.210 6.304 1.00 0.00 C ATOM 1621 O ILE A 104 -0.722 6.258 5.912 1.00 0.00 O ATOM 1622 CB ILE A 104 0.431 3.488 5.604 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.613 2.051 5.090 1.00 0.00 C ATOM 1624 CG2 ILE A 104 1.042 3.650 7.021 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.180 0.992 6.071 1.00 0.00 C ATOM 0 H ILE A 104 -0.678 4.286 3.515 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.684 3.139 5.964 1.00 0.00 H new ATOM 0 HB ILE A 104 0.979 4.161 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.046 1.931 4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.663 1.895 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.083 3.327 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.990 4.696 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.482 3.040 7.730 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.339 0.006 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.765 1.083 6.986 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.878 1.120 6.302 1.00 0.00 H new ATOM 1637 N SER A 105 -2.023 5.142 7.346 1.00 0.00 N ATOM 1638 CA SER A 105 -2.247 6.269 8.167 1.00 0.00 C ATOM 1639 C SER A 105 -2.430 5.798 9.591 1.00 0.00 C ATOM 1640 O SER A 105 -3.499 5.315 9.987 1.00 0.00 O ATOM 1641 CB SER A 105 -3.452 7.081 7.681 1.00 0.00 C ATOM 1642 OG SER A 105 -3.521 8.343 8.337 1.00 0.00 O ATOM 0 H SER A 105 -2.511 4.297 7.643 1.00 0.00 H new ATOM 0 HA SER A 105 -1.386 6.936 8.117 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.382 7.232 6.604 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.369 6.522 7.866 1.00 0.00 H new ATOM 0 HG SER A 105 -2.710 8.857 8.143 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.362 5.846 10.310 1.00 0.00 N ATOM 1649 CA GLY A 106 -1.365 5.481 11.684 1.00 0.00 C ATOM 1650 C GLY A 106 -0.871 4.084 11.855 1.00 0.00 C ATOM 1651 O GLY A 106 0.214 3.747 11.399 1.00 0.00 O ATOM 0 H GLY A 106 -0.452 6.143 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -0.735 6.167 12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.374 5.568 12.087 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.671 3.279 12.489 1.00 0.00 N ATOM 1656 CA ASP A 107 -1.366 1.864 12.714 1.00 0.00 C ATOM 1657 C ASP A 107 -2.391 1.079 11.947 1.00 0.00 C ATOM 1658 O ASP A 107 -2.599 -0.124 12.166 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.504 1.510 14.207 1.00 0.00 C ATOM 1660 CG ASP A 107 -0.732 2.419 15.134 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -1.282 3.470 15.531 1.00 0.00 O ATOM 1662 OD2 ASP A 107 0.407 2.095 15.529 1.00 0.00 O ATOM 0 H ASP A 107 -2.568 3.572 12.876 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.347 1.642 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.559 1.542 14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.167 0.485 14.358 1.00 0.00 H new ATOM 1667 N LYS A 108 -3.042 1.780 11.045 1.00 0.00 N ATOM 1668 CA LYS A 108 -4.148 1.263 10.299 1.00 0.00 C ATOM 1669 C LYS A 108 -3.949 1.579 8.839 1.00 0.00 C ATOM 1670 O LYS A 108 -3.074 2.383 8.471 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.442 1.977 10.725 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.709 2.064 12.219 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.841 0.703 12.862 1.00 0.00 C ATOM 1674 CE LYS A 108 -6.173 0.827 14.343 1.00 0.00 C ATOM 1675 NZ LYS A 108 -6.508 -0.481 14.940 1.00 0.00 N ATOM 0 H LYS A 108 -2.806 2.744 10.811 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.214 0.189 10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.421 2.990 10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.283 1.466 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.898 2.612 12.699 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.623 2.633 12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.621 0.133 12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.911 0.148 12.740 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.324 1.261 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.012 1.511 14.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.728 -0.356 15.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.334 -0.884 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.698 -1.126 14.840 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.766 0.987 8.023 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.804 1.309 6.638 1.00 0.00 C ATOM 1691 C VAL A 109 -6.036 2.162 6.488 1.00 0.00 C ATOM 1692 O VAL A 109 -7.010 1.968 7.212 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.952 0.060 5.733 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.664 0.402 4.277 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -4.077 -1.073 6.203 1.00 0.00 C ATOM 0 H VAL A 109 -5.427 0.263 8.305 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.877 1.796 6.335 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.987 -0.273 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.775 -0.493 3.664 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.365 1.164 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.645 0.779 4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.208 -1.931 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.034 -0.758 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.356 -1.350 7.220 1.00 0.00 H new ATOM 1705 N THR A 110 -5.986 3.107 5.646 1.00 0.00 N ATOM 1706 CA THR A 110 -7.087 3.979 5.439 1.00 0.00 C ATOM 1707 C THR A 110 -7.348 4.046 3.953 1.00 0.00 C ATOM 1708 O THR A 110 -6.505 3.624 3.178 1.00 0.00 O ATOM 1709 CB THR A 110 -6.793 5.378 6.034 1.00 0.00 C ATOM 1710 OG1 THR A 110 -5.541 5.873 5.509 1.00 0.00 O ATOM 1711 CG2 THR A 110 -6.713 5.321 7.570 1.00 0.00 C ATOM 0 H THR A 110 -5.172 3.310 5.066 1.00 0.00 H new ATOM 0 HA THR A 110 -7.975 3.605 5.948 1.00 0.00 H new ATOM 0 HB THR A 110 -7.607 6.046 5.754 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.018 5.125 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.506 6.317 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.662 4.964 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.915 4.641 7.868 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.475 4.546 3.553 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.857 4.542 2.155 1.00 0.00 C ATOM 1721 C PHE A 111 -9.573 5.814 1.781 1.00 0.00 C ATOM 1722 O PHE A 111 -10.324 6.380 2.590 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.681 3.277 1.825 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.550 2.822 2.966 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.793 3.381 3.186 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.086 1.848 3.847 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.566 2.977 4.260 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -10.842 1.450 4.918 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.088 2.010 5.130 1.00 0.00 C ATOM 0 H PHE A 111 -9.162 4.970 4.176 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.954 4.508 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.308 3.476 0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.002 2.470 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.165 4.140 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.117 1.400 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.540 3.415 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -10.465 0.699 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.687 1.695 5.971 1.00 0.00 H new ATOM 1739 N GLU A 112 -9.308 6.285 0.583 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.842 7.535 0.094 1.00 0.00 C ATOM 1741 C GLU A 112 -9.681 7.666 -1.400 1.00 0.00 C ATOM 1742 O GLU A 112 -9.266 6.717 -2.081 1.00 0.00 O ATOM 1743 CB GLU A 112 -9.169 8.722 0.806 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.663 8.618 0.961 1.00 0.00 C ATOM 1745 CD GLU A 112 -7.133 9.719 1.825 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.879 10.823 1.313 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -7.013 9.520 3.060 1.00 0.00 O ATOM 0 H GLU A 112 -8.708 5.804 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.909 7.543 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.398 9.633 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.613 8.829 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.405 7.653 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.190 8.661 -0.020 1.00 0.00 H new ATOM 1754 N SER A 113 -10.075 8.810 -1.894 1.00 0.00 N ATOM 1755 CA SER A 113 -9.920 9.195 -3.254 1.00 0.00 C ATOM 1756 C SER A 113 -8.429 9.323 -3.569 1.00 0.00 C ATOM 1757 O SER A 113 -7.713 10.014 -2.863 1.00 0.00 O ATOM 1758 CB SER A 113 -10.560 10.563 -3.384 1.00 0.00 C ATOM 1759 OG SER A 113 -11.798 10.602 -2.684 1.00 0.00 O ATOM 0 H SER A 113 -10.532 9.524 -1.326 1.00 0.00 H new ATOM 0 HA SER A 113 -10.371 8.468 -3.929 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.888 11.325 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.723 10.796 -4.436 1.00 0.00 H new ATOM 0 HG SER A 113 -11.676 11.065 -1.829 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.980 8.673 -4.627 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.577 8.723 -5.134 1.00 0.00 C ATOM 1767 C CYS A 114 -6.108 10.153 -5.456 1.00 0.00 C ATOM 1768 O CYS A 114 -4.927 10.403 -5.712 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.520 7.902 -6.419 1.00 0.00 C ATOM 1770 SG CYS A 114 -6.942 6.159 -6.174 1.00 0.00 S ATOM 0 H CYS A 114 -8.581 8.071 -5.190 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.923 8.332 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.204 8.335 -7.149 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.517 7.970 -6.841 1.00 0.00 H new ATOM 1775 N ASN A 115 -7.049 11.052 -5.407 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.925 12.425 -5.818 1.00 0.00 C ATOM 1777 C ASN A 115 -6.343 13.287 -4.708 1.00 0.00 C ATOM 1778 O ASN A 115 -6.035 14.453 -4.940 1.00 0.00 O ATOM 1779 CB ASN A 115 -8.312 12.953 -6.104 1.00 0.00 C ATOM 1780 CG ASN A 115 -9.173 12.006 -6.935 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -10.407 11.836 -6.528 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -8.708 11.361 -7.866 1.00 0.00 N flip ATOM 0 H ASN A 115 -7.982 10.834 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 115 -6.270 12.465 -6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.817 13.153 -5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.227 13.905 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -7.744 11.514 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.285 10.670 -8.346 1.00 0.00 H new ATOM 1789 N SER A 116 -6.242 12.764 -3.496 1.00 0.00 N ATOM 1790 CA SER A 116 -5.690 13.541 -2.418 1.00 0.00 C ATOM 1791 C SER A 116 -4.155 13.598 -2.478 1.00 0.00 C ATOM 1792 O SER A 116 -3.494 12.645 -2.907 1.00 0.00 O ATOM 1793 CB SER A 116 -6.190 13.001 -1.095 1.00 0.00 C ATOM 1794 OG SER A 116 -6.090 11.605 -1.066 1.00 0.00 O ATOM 0 H SER A 116 -6.532 11.819 -3.245 1.00 0.00 H new ATOM 0 HA SER A 116 -6.031 14.571 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.610 13.430 -0.278 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.227 13.300 -0.942 1.00 0.00 H new ATOM 0 HG SER A 116 -6.361 11.276 -0.184 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.604 14.729 -2.081 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.162 14.926 -2.080 1.00 0.00 C ATOM 1802 C ASP A 117 -1.587 14.342 -0.799 1.00 0.00 C ATOM 1803 O ASP A 117 -1.650 14.963 0.276 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.830 16.418 -2.188 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.370 16.708 -2.425 1.00 0.00 C ATOM 1806 OD1 ASP A 117 0.076 16.644 -3.594 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.338 17.049 -1.472 1.00 0.00 O ATOM 0 H ASP A 117 -4.137 15.534 -1.752 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.721 14.420 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.412 16.851 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.144 16.916 -1.271 1.00 0.00 H new ATOM 1812 N ASN A 118 -1.097 13.138 -0.900 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.564 12.381 0.226 1.00 0.00 C ATOM 1814 C ASN A 118 0.757 11.763 -0.149 1.00 0.00 C ATOM 1815 O ASN A 118 1.103 11.709 -1.302 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.547 11.285 0.675 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.735 11.807 1.472 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.623 12.784 2.232 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.868 11.177 1.310 1.00 0.00 N ATOM 0 H ASN A 118 -1.051 12.633 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.419 13.069 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.916 10.759 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -1.009 10.555 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.699 11.483 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.922 10.379 0.677 1.00 0.00 H new ATOM 1826 N ARG A 119 1.472 11.272 0.808 1.00 0.00 N ATOM 1827 CA ARG A 119 2.799 10.733 0.561 1.00 0.00 C ATOM 1828 C ARG A 119 2.629 9.268 0.168 1.00 0.00 C ATOM 1829 O ARG A 119 1.497 8.813 0.065 1.00 0.00 O ATOM 1830 CB ARG A 119 3.653 10.911 1.821 1.00 0.00 C ATOM 1831 CG ARG A 119 3.410 12.258 2.492 1.00 0.00 C ATOM 1832 CD ARG A 119 4.161 12.417 3.794 1.00 0.00 C ATOM 1833 NE ARG A 119 3.563 13.477 4.615 1.00 0.00 N ATOM 1834 CZ ARG A 119 3.932 14.774 4.658 1.00 0.00 C ATOM 1835 NH1 ARG A 119 5.024 15.195 4.046 1.00 0.00 N ATOM 1836 NH2 ARG A 119 3.212 15.629 5.360 1.00 0.00 N ATOM 0 H ARG A 119 1.170 11.226 1.781 1.00 0.00 H new ATOM 0 HA ARG A 119 3.313 11.253 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.430 10.110 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.707 10.822 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.705 13.055 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.343 12.377 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 119 4.149 11.475 4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 119 5.205 12.654 3.590 1.00 0.00 H new ATOM 0 HE ARG A 119 2.786 13.204 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 119 5.605 14.535 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 119 5.286 16.180 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.385 15.307 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 119 3.482 16.612 5.399 1.00 0.00 H new ATOM 1850 N TRP A 120 3.697 8.516 -0.041 1.00 0.00 N ATOM 1851 CA TRP A 120 3.517 7.140 -0.511 1.00 0.00 C ATOM 1852 C TRP A 120 4.691 6.247 -0.161 1.00 0.00 C ATOM 1853 O TRP A 120 5.720 6.712 0.315 1.00 0.00 O ATOM 1854 CB TRP A 120 3.254 7.106 -2.033 1.00 0.00 C ATOM 1855 CG TRP A 120 4.402 7.564 -2.881 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.325 6.773 -3.485 1.00 0.00 C ATOM 1857 CD2 TRP A 120 4.746 8.910 -3.220 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.226 7.534 -4.169 1.00 0.00 N ATOM 1859 CE2 TRP A 120 5.890 8.853 -4.027 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.200 10.154 -2.922 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.495 9.989 -4.532 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 4.806 11.277 -3.430 1.00 0.00 C ATOM 1863 CH2 TRP A 120 5.940 11.187 -4.227 1.00 0.00 C ATOM 0 H TRP A 120 4.663 8.812 0.098 1.00 0.00 H new ATOM 0 HA TRP A 120 2.644 6.746 0.009 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.993 6.087 -2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.388 7.730 -2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.343 5.694 -3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.021 7.178 -4.700 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.318 10.235 -2.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.379 9.924 -5.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 4.393 12.249 -3.205 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.389 12.091 -4.612 1.00 0.00 H new ATOM 1874 N ILE A 121 4.526 4.965 -0.399 1.00 0.00 N ATOM 1875 CA ILE A 121 5.561 3.990 -0.155 1.00 0.00 C ATOM 1876 C ILE A 121 5.807 3.205 -1.426 1.00 0.00 C ATOM 1877 O ILE A 121 4.877 2.683 -2.043 1.00 0.00 O ATOM 1878 CB ILE A 121 5.167 3.002 0.980 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.928 3.758 2.275 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.270 1.956 1.195 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.189 2.961 3.322 1.00 0.00 C ATOM 0 H ILE A 121 3.663 4.568 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 121 6.460 4.522 0.155 1.00 0.00 H new ATOM 0 HB ILE A 121 4.250 2.493 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.889 4.072 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.363 4.664 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.975 1.275 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.422 1.393 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.198 2.457 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.057 3.569 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.213 2.669 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.762 2.068 3.572 1.00 0.00 H new ATOM 1893 N CYS A 122 7.031 3.138 -1.810 1.00 0.00 N ATOM 1894 CA CYS A 122 7.434 2.374 -2.948 1.00 0.00 C ATOM 1895 C CYS A 122 8.100 1.127 -2.462 1.00 0.00 C ATOM 1896 O CYS A 122 8.644 1.107 -1.361 1.00 0.00 O ATOM 1897 CB CYS A 122 8.437 3.157 -3.787 1.00 0.00 C ATOM 1898 SG CYS A 122 7.814 4.696 -4.510 1.00 0.00 S ATOM 0 H CYS A 122 7.797 3.618 -1.338 1.00 0.00 H new ATOM 0 HA CYS A 122 6.559 2.146 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.300 3.392 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.791 2.514 -4.593 1.00 0.00 H new ATOM 1903 N GLN A 123 8.045 0.104 -3.228 1.00 0.00 N ATOM 1904 CA GLN A 123 8.772 -1.067 -2.942 1.00 0.00 C ATOM 1905 C GLN A 123 9.378 -1.532 -4.230 1.00 0.00 C ATOM 1906 O GLN A 123 8.846 -1.281 -5.292 1.00 0.00 O ATOM 1907 CB GLN A 123 7.922 -2.191 -2.344 1.00 0.00 C ATOM 1908 CG GLN A 123 7.063 -2.938 -3.341 1.00 0.00 C ATOM 1909 CD GLN A 123 6.500 -4.196 -2.757 1.00 0.00 C ATOM 1910 OE1 GLN A 123 6.360 -5.206 -3.568 1.00 0.00 O flip ATOM 1911 NE2 GLN A 123 6.230 -4.274 -1.578 1.00 0.00 N flip ATOM 0 H GLN A 123 7.487 0.058 -4.080 1.00 0.00 H new ATOM 0 HA GLN A 123 9.521 -0.828 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.583 -2.903 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.276 -1.768 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.248 -2.295 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.657 -3.180 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.352 -3.463 -0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.881 -5.151 -1.192 1.00 0.00 H new ATOM 1920 N LYS A 124 10.461 -2.164 -4.153 1.00 0.00 N ATOM 1921 CA LYS A 124 11.071 -2.681 -5.300 1.00 0.00 C ATOM 1922 C LYS A 124 10.900 -4.162 -5.197 1.00 0.00 C ATOM 1923 O LYS A 124 11.235 -4.766 -4.149 1.00 0.00 O ATOM 1924 CB LYS A 124 12.525 -2.239 -5.348 1.00 0.00 C ATOM 1925 CG LYS A 124 13.156 -2.319 -6.716 1.00 0.00 C ATOM 1926 CD LYS A 124 14.484 -1.604 -6.713 1.00 0.00 C ATOM 1927 CE LYS A 124 15.145 -1.587 -8.078 1.00 0.00 C ATOM 1928 NZ LYS A 124 15.399 -2.951 -8.616 1.00 0.00 N ATOM 0 H LYS A 124 10.963 -2.344 -3.283 1.00 0.00 H new ATOM 0 HA LYS A 124 10.631 -2.322 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.592 -1.212 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.102 -2.855 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.296 -3.362 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.494 -1.872 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.339 -0.579 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.150 -2.087 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.512 -1.039 -8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 124 16.089 -1.046 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.942 -2.880 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.941 -3.503 -7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.492 -3.425 -8.803 1.00 0.00 H new ATOM 1942 N GLU A 125 10.304 -4.728 -6.214 1.00 0.00 N ATOM 1943 CA GLU A 125 9.894 -6.098 -6.202 1.00 0.00 C ATOM 1944 C GLU A 125 11.053 -7.058 -6.205 1.00 0.00 C ATOM 1945 O GLU A 125 11.866 -7.100 -7.129 1.00 0.00 O ATOM 1946 CB GLU A 125 8.924 -6.385 -7.348 1.00 0.00 C ATOM 1947 CG GLU A 125 8.408 -7.813 -7.401 1.00 0.00 C ATOM 1948 CD GLU A 125 7.444 -8.028 -8.531 1.00 0.00 C ATOM 1949 OE1 GLU A 125 6.234 -7.814 -8.344 1.00 0.00 O ATOM 1950 OE2 GLU A 125 7.872 -8.414 -9.634 1.00 0.00 O ATOM 0 H GLU A 125 10.089 -4.239 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 125 9.371 -6.262 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.073 -5.709 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.420 -6.157 -8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.249 -8.497 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.919 -8.056 -6.458 1.00 0.00 H new ATOM 1957 N LEU A 126 11.156 -7.751 -5.116 1.00 0.00 N ATOM 1958 CA LEU A 126 12.051 -8.853 -4.969 1.00 0.00 C ATOM 1959 C LEU A 126 11.192 -10.127 -5.174 1.00 0.00 C ATOM 1960 O LEU A 126 11.616 -11.082 -5.817 1.00 0.00 O ATOM 1961 CB LEU A 126 12.766 -8.776 -3.561 1.00 0.00 C ATOM 1962 CG LEU A 126 14.053 -7.895 -3.408 1.00 0.00 C ATOM 1963 CD1 LEU A 126 14.068 -6.683 -4.307 1.00 0.00 C ATOM 1964 CD2 LEU A 126 14.177 -7.416 -1.983 1.00 0.00 C ATOM 0 H LEU A 126 10.603 -7.560 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 126 12.862 -8.852 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 126 12.033 -8.415 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.027 -9.793 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 126 14.888 -8.534 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.988 -6.122 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.015 -7.002 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.212 -6.049 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 126 15.073 -6.804 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.301 -6.823 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.247 -8.275 -1.315 1.00 0.00 H new ATOM 1976 N TYR A 127 9.936 -10.070 -4.690 1.00 0.00 N ATOM 1977 CA TYR A 127 8.933 -11.141 -4.835 1.00 0.00 C ATOM 1978 C TYR A 127 7.521 -10.523 -4.689 1.00 0.00 C ATOM 1979 O TYR A 127 7.411 -9.326 -4.383 1.00 0.00 O ATOM 1980 CB TYR A 127 9.062 -12.220 -3.751 1.00 0.00 C ATOM 1981 CG TYR A 127 10.278 -13.125 -3.823 1.00 0.00 C ATOM 1982 CD1 TYR A 127 11.469 -12.802 -3.184 1.00 0.00 C ATOM 1983 CD2 TYR A 127 10.215 -14.324 -4.506 1.00 0.00 C ATOM 1984 CE1 TYR A 127 12.549 -13.643 -3.231 1.00 0.00 C ATOM 1985 CE2 TYR A 127 11.291 -15.172 -4.552 1.00 0.00 C ATOM 1986 CZ TYR A 127 12.455 -14.827 -3.912 1.00 0.00 C ATOM 1987 OH TYR A 127 13.536 -15.677 -3.961 1.00 0.00 O ATOM 0 H TYR A 127 9.584 -9.262 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 127 9.093 -11.600 -5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 127 9.064 -11.726 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.171 -12.846 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 127 11.544 -11.872 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 127 9.302 -14.598 -5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 127 13.469 -13.374 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 127 11.223 -16.107 -5.089 1.00 0.00 H new ATOM 0 HH TYR A 127 14.219 -15.375 -3.326 1.00 0.00 H new ATOM 1997 N HIS A 128 6.458 -11.335 -4.886 1.00 0.00 N ATOM 1998 CA HIS A 128 5.043 -10.903 -4.707 1.00 0.00 C ATOM 1999 C HIS A 128 4.100 -12.128 -4.770 1.00 0.00 C ATOM 2000 O HIS A 128 4.336 -13.040 -5.564 1.00 0.00 O ATOM 2001 CB HIS A 128 4.618 -9.848 -5.781 1.00 0.00 C ATOM 2002 CG HIS A 128 4.587 -10.354 -7.208 1.00 0.00 C ATOM 2003 ND1 HIS A 128 3.476 -10.258 -8.023 1.00 0.00 N ATOM 2004 CD2 HIS A 128 5.543 -10.944 -7.963 1.00 0.00 C ATOM 2005 CE1 HIS A 128 3.756 -10.770 -9.198 1.00 0.00 C ATOM 2006 NE2 HIS A 128 4.996 -11.189 -9.187 1.00 0.00 N ATOM 0 H HIS A 128 6.551 -12.309 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 128 4.964 -10.432 -3.727 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.628 -9.472 -5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 128 5.304 -9.003 -5.727 1.00 0.00 H new ATOM 0 HD1 HIS A 128 2.579 -9.853 -7.754 1.00 0.00 H new ATOM 0 HD2 HIS A 128 6.551 -11.177 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 128 3.077 -10.835 -10.035 1.00 0.00 H new ATOM 2015 N GLU A 129 3.045 -12.150 -3.942 1.00 0.00 N ATOM 2016 CA GLU A 129 2.081 -13.279 -3.921 1.00 0.00 C ATOM 2017 C GLU A 129 0.630 -12.786 -3.814 1.00 0.00 C ATOM 2018 O GLU A 129 0.391 -11.604 -3.582 1.00 0.00 O ATOM 2019 CB GLU A 129 2.373 -14.268 -2.774 1.00 0.00 C ATOM 2020 CG GLU A 129 3.729 -14.922 -2.862 1.00 0.00 C ATOM 2021 CD GLU A 129 3.955 -15.996 -1.831 1.00 0.00 C ATOM 2022 OE1 GLU A 129 3.387 -17.113 -1.967 1.00 0.00 O ATOM 2023 OE2 GLU A 129 4.725 -15.769 -0.875 1.00 0.00 O ATOM 0 H GLU A 129 2.831 -11.406 -3.278 1.00 0.00 H new ATOM 0 HA GLU A 129 2.207 -13.801 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.296 -13.740 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.606 -15.043 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.850 -15.354 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 129 4.498 -14.158 -2.751 1.00 0.00 H new ATOM 2030 N THR A 130 -0.294 -13.717 -3.930 1.00 0.00 N ATOM 2031 CA THR A 130 -1.752 -13.513 -3.931 1.00 0.00 C ATOM 2032 C THR A 130 -2.399 -14.356 -2.825 1.00 0.00 C ATOM 2033 O THR A 130 -2.267 -15.575 -2.845 1.00 0.00 O ATOM 2034 CB THR A 130 -2.278 -14.042 -5.294 1.00 0.00 C ATOM 2035 OG1 THR A 130 -1.830 -13.207 -6.390 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.784 -14.207 -5.301 1.00 0.00 C ATOM 0 H THR A 130 -0.046 -14.701 -4.033 1.00 0.00 H new ATOM 0 HA THR A 130 -1.987 -12.461 -3.772 1.00 0.00 H new ATOM 0 HB THR A 130 -1.852 -15.035 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.622 -12.310 -6.054 1.00 0.00 H new ATOM 0 HG21 THR A 130 -4.105 -14.579 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.076 -14.917 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 130 -4.256 -13.244 -5.107 1.00 0.00 H new ATOM 2044 N LEU A 131 -3.067 -13.704 -1.870 1.00 0.00 N ATOM 2045 CA LEU A 131 -3.843 -14.374 -0.814 1.00 0.00 C ATOM 2046 C LEU A 131 -4.980 -13.487 -0.378 1.00 0.00 C ATOM 2047 O LEU A 131 -4.944 -12.284 -0.640 1.00 0.00 O ATOM 2048 CB LEU A 131 -3.011 -14.778 0.417 1.00 0.00 C ATOM 2049 CG LEU A 131 -2.055 -15.962 0.262 1.00 0.00 C ATOM 2050 CD1 LEU A 131 -1.432 -16.302 1.603 1.00 0.00 C ATOM 2051 CD2 LEU A 131 -2.786 -17.173 -0.325 1.00 0.00 C ATOM 0 H LEU A 131 -3.087 -12.686 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.214 -15.300 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.427 -13.912 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.701 -15.006 1.230 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.260 -15.685 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.752 -17.146 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.879 -15.440 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -2.217 -16.564 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.089 -18.004 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.601 -17.463 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.189 -16.915 -1.304 1.00 0.00 H new ATOM 2063 N SER A 132 -5.972 -14.096 0.295 1.00 0.00 N ATOM 2064 CA SER A 132 -7.190 -13.430 0.768 1.00 0.00 C ATOM 2065 C SER A 132 -8.025 -13.027 -0.458 1.00 0.00 C ATOM 2066 O SER A 132 -7.772 -13.524 -1.565 1.00 0.00 O ATOM 2067 CB SER A 132 -6.838 -12.208 1.658 1.00 0.00 C ATOM 2068 OG SER A 132 -7.963 -11.715 2.404 1.00 0.00 O ATOM 0 H SER A 132 -5.945 -15.088 0.529 1.00 0.00 H new ATOM 0 HA SER A 132 -7.775 -14.107 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 132 -6.044 -12.486 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 132 -6.447 -11.408 1.029 1.00 0.00 H new ATOM 0 HG SER A 132 -7.980 -12.138 3.288 1.00 0.00 H new ATOM 2074 N ASN A 133 -9.032 -12.203 -0.270 1.00 0.00 N ATOM 2075 CA ASN A 133 -9.843 -11.714 -1.380 1.00 0.00 C ATOM 2076 C ASN A 133 -10.295 -10.297 -1.113 1.00 0.00 C ATOM 2077 O ASN A 133 -9.831 -9.356 -1.765 1.00 0.00 O ATOM 2078 CB ASN A 133 -11.073 -12.608 -1.689 1.00 0.00 C ATOM 2079 CG ASN A 133 -10.725 -13.988 -2.247 1.00 0.00 C ATOM 2080 OD1 ASN A 133 -10.560 -14.160 -3.458 1.00 0.00 O ATOM 2081 ND2 ASN A 133 -10.649 -14.976 -1.399 1.00 0.00 N ATOM 0 H ASN A 133 -9.316 -11.852 0.645 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.203 -11.746 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -11.654 -12.735 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -11.713 -12.091 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -10.449 -15.919 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -10.790 -14.805 -0.403 1.00 0.00 H new ATOM 2088 N TYR A 134 -11.214 -10.151 -0.177 1.00 0.00 N ATOM 2089 CA TYR A 134 -11.744 -8.861 0.233 1.00 0.00 C ATOM 2090 C TYR A 134 -12.589 -9.084 1.460 1.00 0.00 C ATOM 2091 O TYR A 134 -12.872 -10.235 1.807 1.00 0.00 O ATOM 2092 CB TYR A 134 -12.558 -8.164 -0.901 1.00 0.00 C ATOM 2093 CG TYR A 134 -13.935 -8.737 -1.227 1.00 0.00 C ATOM 2094 CD1 TYR A 134 -14.109 -10.054 -1.625 1.00 0.00 C ATOM 2095 CD2 TYR A 134 -15.058 -7.926 -1.165 1.00 0.00 C ATOM 2096 CE1 TYR A 134 -15.358 -10.543 -1.947 1.00 0.00 C ATOM 2097 CE2 TYR A 134 -16.309 -8.405 -1.481 1.00 0.00 C ATOM 2098 CZ TYR A 134 -16.457 -9.714 -1.872 1.00 0.00 C ATOM 2099 OH TYR A 134 -17.711 -10.204 -2.191 1.00 0.00 O ATOM 0 H TYR A 134 -11.621 -10.938 0.329 1.00 0.00 H new ATOM 0 HA TYR A 134 -10.919 -8.185 0.456 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -12.684 -7.116 -0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -11.958 -8.188 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -13.252 -10.708 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -14.949 -6.895 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -15.474 -11.571 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -17.170 -7.755 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 134 -18.377 -9.493 -2.085 1.00 0.00 H new ATOM 2109 N VAL A 135 -12.977 -8.032 2.118 1.00 0.00 N ATOM 2110 CA VAL A 135 -13.748 -8.162 3.340 1.00 0.00 C ATOM 2111 C VAL A 135 -15.218 -8.463 3.038 1.00 0.00 C ATOM 2112 O VAL A 135 -15.811 -9.361 3.631 1.00 0.00 O ATOM 2113 CB VAL A 135 -13.651 -6.880 4.216 1.00 0.00 C ATOM 2114 CG1 VAL A 135 -14.397 -7.046 5.532 1.00 0.00 C ATOM 2115 CG2 VAL A 135 -12.203 -6.506 4.468 1.00 0.00 C ATOM 0 H VAL A 135 -12.778 -7.072 1.838 1.00 0.00 H new ATOM 0 HA VAL A 135 -13.321 -8.997 3.895 1.00 0.00 H new ATOM 0 HB VAL A 135 -14.126 -6.069 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -14.308 -6.132 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -15.449 -7.247 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -13.969 -7.878 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -12.161 -5.607 5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.701 -7.323 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -11.705 -6.319 3.517 1.00 0.00 H new ATOM 2125 N GLY A 136 -15.771 -7.758 2.073 1.00 0.00 N ATOM 2126 CA GLY A 136 -17.194 -7.834 1.808 1.00 0.00 C ATOM 2127 C GLY A 136 -17.938 -7.277 2.985 1.00 0.00 C ATOM 2128 O GLY A 136 -17.807 -6.092 3.298 1.00 0.00 O ATOM 0 H GLY A 136 -15.258 -7.126 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -17.440 -7.273 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -17.490 -8.868 1.630 1.00 0.00 H new ATOM 2132 N TYR A 137 -18.668 -8.126 3.655 1.00 0.00 N ATOM 2133 CA TYR A 137 -19.336 -7.759 4.903 1.00 0.00 C ATOM 2134 C TYR A 137 -18.859 -8.711 5.986 1.00 0.00 C ATOM 2135 O TYR A 137 -19.486 -8.889 7.027 1.00 0.00 O ATOM 2136 CB TYR A 137 -20.860 -7.857 4.758 1.00 0.00 C ATOM 2137 CG TYR A 137 -21.454 -6.922 3.733 1.00 0.00 C ATOM 2138 CD1 TYR A 137 -21.388 -5.544 3.903 1.00 0.00 C ATOM 2139 CD2 TYR A 137 -22.091 -7.414 2.604 1.00 0.00 C ATOM 2140 CE1 TYR A 137 -21.936 -4.687 2.973 1.00 0.00 C ATOM 2141 CE2 TYR A 137 -22.641 -6.562 1.670 1.00 0.00 C ATOM 2142 CZ TYR A 137 -22.559 -5.201 1.859 1.00 0.00 C ATOM 2143 OH TYR A 137 -23.112 -4.351 0.929 1.00 0.00 O ATOM 0 H TYR A 137 -18.825 -9.091 3.365 1.00 0.00 H new ATOM 0 HA TYR A 137 -19.092 -6.728 5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -21.122 -8.881 4.491 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -21.318 -7.653 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -20.900 -5.139 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -22.157 -8.481 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -21.877 -3.618 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -23.133 -6.960 0.795 1.00 0.00 H new ATOM 0 HH TYR A 137 -22.496 -3.608 0.757 1.00 0.00 H new ATOM 2153 N GLY A 138 -17.725 -9.297 5.721 1.00 0.00 N ATOM 2154 CA GLY A 138 -17.173 -10.345 6.538 1.00 0.00 C ATOM 2155 C GLY A 138 -17.187 -11.579 5.698 1.00 0.00 C ATOM 2156 O GLY A 138 -16.306 -12.435 5.759 1.00 0.00 O ATOM 0 H GLY A 138 -17.146 -9.056 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -16.159 -10.100 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -17.763 -10.484 7.444 1.00 0.00 H new ATOM 2160 N HIS A 139 -18.210 -11.635 4.914 1.00 0.00 N ATOM 2161 CA HIS A 139 -18.420 -12.585 3.890 1.00 0.00 C ATOM 2162 C HIS A 139 -19.349 -11.881 2.925 1.00 0.00 C ATOM 2163 O HIS A 139 -20.562 -12.140 2.962 1.00 0.00 O ATOM 2164 CB HIS A 139 -19.057 -13.876 4.441 1.00 0.00 C ATOM 2165 CG HIS A 139 -19.291 -14.937 3.409 1.00 0.00 C ATOM 2166 ND1 HIS A 139 -20.491 -15.106 2.772 1.00 0.00 N ATOM 2167 CD2 HIS A 139 -18.482 -15.893 2.921 1.00 0.00 C ATOM 2168 CE1 HIS A 139 -20.416 -16.113 1.947 1.00 0.00 C ATOM 2169 NE2 HIS A 139 -19.211 -16.609 2.015 1.00 0.00 N ATOM 2170 OXT HIS A 139 -18.877 -10.945 2.254 1.00 0.00 O ATOM 0 H HIS A 139 -18.975 -10.964 4.983 1.00 0.00 H new ATOM 0 HA HIS A 139 -17.490 -12.903 3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -18.413 -14.281 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -20.008 -13.626 4.911 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -17.451 -16.063 3.194 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -21.214 -16.474 1.316 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -18.868 -17.405 1.477 1.00 0.00 H new TER 2179 HIS A 139