USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1034 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 110 GLN :FLIP amide:sc= -1.69! C(o=-6.4!,f=-1.7!) USER MOD Set 1.2: A 114 GLN : amide:sc= 0 K(o=-1.7,f=-2.3) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 161:sc= 2.04 (180deg=0.429) USER MOD Set 3.1: A 67 TYR OH : rot -99:sc= 0.0603 USER MOD Set 3.2: A 72 GLN : amide:sc= -1.08 K(o=-1,f=-5.4!) USER MOD Set 4.1: A 51 LYS NZ :NH3+ -162:sc= -0.612! (180deg=-4.5!) USER MOD Set 4.2: A 105 GLN : amide:sc= 0.757 K(o=0.14,f=-16!) USER MOD Single : A 4 SER OG : rot 180:sc= -1.08 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.121 USER MOD Single : A 17 LYS NZ :NH3+ -107:sc= -0.795 (180deg=-2.82!) USER MOD Single : A 20 SER OG : rot 71:sc= 1 USER MOD Single : A 21 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-1.8) USER MOD Single : A 29 THR OG1 : rot 170:sc= -2.02! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 141:sc= 0.713 USER MOD Single : A 40 ASN : amide:sc= -6.68! C(o=-6.7!,f=-17!) USER MOD Single : A 47 CYS SG : rot 67:sc= -1.09 USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= 1.28 (180deg=0.284) USER MOD Single : A 53 SER OG : rot 13:sc= 0.0714 USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -1.21! (180deg=-4.2!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 58 GLN : amide:sc= -2.17! C(o=-2.2!,f=-6.2!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.0131 F(o=-1,f=-0.013) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.19) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0522) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= 0.433 (180deg=-0.321!) USER MOD Single : A 80 ASN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 84 HIS : no HD1:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : A 85 THR OG1 : rot -150:sc= -0.951 USER MOD Single : A 90 THR OG1 : rot -5:sc= 1.15 USER MOD Single : A 91 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.46) USER MOD Single : A 92 SER OG : rot 79:sc= 0.602 USER MOD Single : A 94 THR OG1 : rot -27:sc= 0.491 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0243 USER MOD Single : A 99 HIS : no HE2:sc= 0.0372 K(o=0.037,f=-2) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -138:sc= 0.00165 USER MOD Single : A 112 MET CE :methyl -168:sc= -2.92! (180deg=-2.95!) USER MOD Single : A 116 SER OG : rot -86:sc= 0.587 USER MOD Single : A 117 TYR OH : rot 18:sc= 0.663 USER MOD Single : A 118 THR OG1 : rot -124:sc= 0.0823 USER MOD Single : A 122 LYS NZ :NH3+ -109:sc= 1.22 (180deg=-0.564) USER MOD Single : A 123 SER OG : rot -86:sc= 1.35 USER MOD Single : A 126 TYR OH : rot 6:sc= 0.924 USER MOD Single : A 130 MET CE :methyl 158:sc= -1.35 (180deg=-2.4) USER MOD ----------------------------------------------------------------- ATOM 31 N VAL A 3 -17.563 -7.992 -6.103 1.00 0.00 N ATOM 32 CA VAL A 3 -17.713 -8.048 -4.652 1.00 0.00 C ATOM 33 C VAL A 3 -19.189 -8.033 -4.243 1.00 0.00 C ATOM 34 O VAL A 3 -19.932 -7.108 -4.574 1.00 0.00 O ATOM 35 CB VAL A 3 -16.955 -6.878 -3.962 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.186 -5.563 -4.703 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.365 -6.740 -2.494 1.00 0.00 C ATOM 0 HA VAL A 3 -17.274 -8.988 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.891 -7.112 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.645 -4.762 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.827 -5.655 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.251 -5.332 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.818 -5.914 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.435 -6.544 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.134 -7.664 -1.963 1.00 0.00 H new ATOM 47 N SER A 4 -19.600 -9.086 -3.547 1.00 0.00 N ATOM 48 CA SER A 4 -20.946 -9.190 -2.997 1.00 0.00 C ATOM 49 C SER A 4 -21.028 -8.395 -1.688 1.00 0.00 C ATOM 50 O SER A 4 -20.005 -8.194 -1.030 1.00 0.00 O ATOM 51 CB SER A 4 -21.277 -10.673 -2.755 1.00 0.00 C ATOM 52 OG SER A 4 -22.566 -10.841 -2.190 1.00 0.00 O ATOM 0 H SER A 4 -19.009 -9.893 -3.348 1.00 0.00 H new ATOM 0 HA SER A 4 -21.671 -8.776 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.220 -11.216 -3.698 1.00 0.00 H new ATOM 0 HB3 SER A 4 -20.530 -11.108 -2.091 1.00 0.00 H new ATOM 0 HG SER A 4 -22.741 -11.795 -2.052 1.00 0.00 H new ATOM 58 N PRO A 5 -22.230 -7.919 -1.290 1.00 0.00 N ATOM 59 CA PRO A 5 -22.423 -7.218 -0.013 1.00 0.00 C ATOM 60 C PRO A 5 -21.785 -7.971 1.161 1.00 0.00 C ATOM 61 O PRO A 5 -21.227 -7.362 2.078 1.00 0.00 O ATOM 62 CB PRO A 5 -23.958 -7.145 0.144 1.00 0.00 C ATOM 63 CG PRO A 5 -24.523 -7.985 -0.962 1.00 0.00 C ATOM 64 CD PRO A 5 -23.486 -7.994 -2.050 1.00 0.00 C ATOM 0 HA PRO A 5 -21.947 -6.237 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.270 -7.521 1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.310 -6.116 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -24.732 -8.997 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.464 -7.571 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -23.541 -8.898 -2.656 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.601 -7.149 -2.728 1.00 0.00 H new ATOM 72 N GLU A 6 -21.853 -9.303 1.111 1.00 0.00 N ATOM 73 CA GLU A 6 -21.256 -10.145 2.147 1.00 0.00 C ATOM 74 C GLU A 6 -19.729 -10.092 2.068 1.00 0.00 C ATOM 75 O GLU A 6 -19.033 -10.186 3.079 1.00 0.00 O ATOM 76 CB GLU A 6 -21.749 -11.592 2.019 1.00 0.00 C ATOM 77 CG GLU A 6 -23.267 -11.735 2.101 1.00 0.00 C ATOM 78 CD GLU A 6 -23.713 -13.179 2.260 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.923 -13.865 1.237 1.00 0.00 O ATOM 80 OE2 GLU A 6 -23.848 -13.641 3.416 1.00 0.00 O ATOM 0 H GLU A 6 -22.316 -9.821 0.364 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.565 -9.761 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.406 -12.000 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.294 -12.192 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -23.638 -11.150 2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.716 -11.318 1.200 1.00 0.00 H new ATOM 87 N GLU A 7 -19.213 -9.936 0.857 1.00 0.00 N ATOM 88 CA GLU A 7 -17.777 -9.796 0.648 1.00 0.00 C ATOM 89 C GLU A 7 -17.324 -8.422 1.141 1.00 0.00 C ATOM 90 O GLU A 7 -16.217 -8.263 1.653 1.00 0.00 O ATOM 91 CB GLU A 7 -17.442 -9.984 -0.841 1.00 0.00 C ATOM 92 CG GLU A 7 -15.952 -9.924 -1.168 1.00 0.00 C ATOM 93 CD GLU A 7 -15.146 -11.016 -0.483 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.468 -12.207 -0.675 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.169 -10.694 0.226 1.00 0.00 O ATOM 0 H GLU A 7 -19.768 -9.903 0.002 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.247 -10.562 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.835 -10.946 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.958 -9.216 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.819 -10.006 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.560 -8.951 -0.871 1.00 0.00 H new ATOM 102 N ALA A 8 -18.211 -7.440 1.008 1.00 0.00 N ATOM 103 CA ALA A 8 -17.938 -6.080 1.460 1.00 0.00 C ATOM 104 C ALA A 8 -17.756 -6.037 2.977 1.00 0.00 C ATOM 105 O ALA A 8 -16.805 -5.431 3.480 1.00 0.00 O ATOM 106 CB ALA A 8 -19.058 -5.140 1.023 1.00 0.00 C ATOM 0 H ALA A 8 -19.132 -7.563 0.587 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.008 -5.746 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.840 -4.129 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.133 -5.144 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.002 -5.474 1.453 1.00 0.00 H new ATOM 112 N VAL A 9 -18.662 -6.693 3.710 1.00 0.00 N ATOM 113 CA VAL A 9 -18.567 -6.732 5.170 1.00 0.00 C ATOM 114 C VAL A 9 -17.330 -7.518 5.605 1.00 0.00 C ATOM 115 O VAL A 9 -16.786 -7.283 6.686 1.00 0.00 O ATOM 116 CB VAL A 9 -19.834 -7.330 5.841 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.084 -6.560 5.421 1.00 0.00 C ATOM 118 CG2 VAL A 9 -19.980 -8.818 5.535 1.00 0.00 C ATOM 0 H VAL A 9 -19.459 -7.197 3.321 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.482 -5.698 5.503 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.717 -7.228 6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.959 -6.996 5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -20.987 -5.517 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.200 -6.617 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.877 -9.203 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.060 -8.962 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.107 -9.354 5.908 1.00 0.00 H new ATOM 128 N LYS A 10 -16.889 -8.452 4.754 1.00 0.00 N ATOM 129 CA LYS A 10 -15.624 -9.157 4.974 1.00 0.00 C ATOM 130 C LYS A 10 -14.460 -8.167 4.937 1.00 0.00 C ATOM 131 O LYS A 10 -13.566 -8.208 5.784 1.00 0.00 O ATOM 132 CB LYS A 10 -15.414 -10.259 3.923 1.00 0.00 C ATOM 133 CG LYS A 10 -16.378 -11.435 4.048 1.00 0.00 C ATOM 134 CD LYS A 10 -16.178 -12.199 5.354 1.00 0.00 C ATOM 135 CE LYS A 10 -17.099 -13.410 5.451 1.00 0.00 C ATOM 136 NZ LYS A 10 -16.883 -14.165 6.713 1.00 0.00 N ATOM 0 H LYS A 10 -17.388 -8.735 3.911 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.664 -9.629 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.518 -9.823 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.393 -10.631 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.404 -11.071 3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.236 -12.112 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.141 -12.525 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.364 -11.533 6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.137 -13.083 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.926 -14.068 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.527 -14.981 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.899 -14.498 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.072 -13.544 7.526 1.00 0.00 H new ATOM 150 N TRP A 11 -14.485 -7.268 3.957 1.00 0.00 N ATOM 151 CA TRP A 11 -13.471 -6.217 3.849 1.00 0.00 C ATOM 152 C TRP A 11 -13.563 -5.282 5.052 1.00 0.00 C ATOM 153 O TRP A 11 -12.575 -4.670 5.464 1.00 0.00 O ATOM 154 CB TRP A 11 -13.653 -5.421 2.548 1.00 0.00 C ATOM 155 CG TRP A 11 -13.563 -6.258 1.302 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.267 -7.589 1.220 1.00 0.00 C ATOM 157 CD2 TRP A 11 -13.767 -5.809 -0.042 1.00 0.00 C ATOM 158 NE1 TRP A 11 -13.285 -7.996 -0.090 1.00 0.00 N ATOM 159 CE2 TRP A 11 -13.585 -6.922 -0.884 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.087 -4.574 -0.616 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -13.713 -6.837 -2.268 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.213 -4.491 -1.989 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.025 -5.615 -2.803 1.00 0.00 C ATOM 0 H TRP A 11 -15.195 -7.244 3.225 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.486 -6.684 3.832 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.623 -4.924 2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -12.895 -4.639 2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.050 -8.228 2.063 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.104 -8.944 -0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.233 -3.701 0.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -13.571 -7.703 -2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -14.461 -3.543 -2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.128 -5.517 -3.874 1.00 0.00 H new ATOM 174 N GLY A 12 -14.766 -5.190 5.610 1.00 0.00 N ATOM 175 CA GLY A 12 -14.999 -4.367 6.779 1.00 0.00 C ATOM 176 C GLY A 12 -14.496 -5.013 8.059 1.00 0.00 C ATOM 177 O GLY A 12 -14.383 -4.345 9.087 1.00 0.00 O ATOM 0 H GLY A 12 -15.593 -5.679 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.506 -3.404 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.067 -4.169 6.872 1.00 0.00 H new ATOM 181 N GLU A 13 -14.202 -6.313 8.003 1.00 0.00 N ATOM 182 CA GLU A 13 -13.672 -7.027 9.164 1.00 0.00 C ATOM 183 C GLU A 13 -12.252 -6.571 9.460 1.00 0.00 C ATOM 184 O GLU A 13 -11.917 -6.221 10.593 1.00 0.00 O ATOM 185 CB GLU A 13 -13.658 -8.543 8.931 1.00 0.00 C ATOM 186 CG GLU A 13 -15.007 -9.141 8.571 1.00 0.00 C ATOM 187 CD GLU A 13 -14.947 -10.652 8.430 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.042 -11.153 7.729 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.805 -11.346 9.019 1.00 0.00 O ATOM 0 H GLU A 13 -14.321 -6.890 7.170 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.324 -6.802 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.951 -8.768 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.287 -9.032 9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.735 -8.878 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.358 -8.704 7.636 1.00 0.00 H new ATOM 196 N SER A 14 -11.419 -6.586 8.426 1.00 0.00 N ATOM 197 CA SER A 14 -10.007 -6.279 8.576 1.00 0.00 C ATOM 198 C SER A 14 -9.439 -5.708 7.275 1.00 0.00 C ATOM 199 O SER A 14 -9.683 -6.238 6.184 1.00 0.00 O ATOM 200 CB SER A 14 -9.247 -7.545 8.988 1.00 0.00 C ATOM 201 OG SER A 14 -9.796 -8.110 10.171 1.00 0.00 O ATOM 0 H SER A 14 -11.702 -6.809 7.472 1.00 0.00 H new ATOM 0 HA SER A 14 -9.888 -5.525 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.287 -8.276 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.196 -7.305 9.150 1.00 0.00 H new ATOM 0 HG SER A 14 -9.294 -8.917 10.411 1.00 0.00 H new ATOM 207 N PHE A 15 -8.678 -4.628 7.406 1.00 0.00 N ATOM 208 CA PHE A 15 -8.088 -3.933 6.268 1.00 0.00 C ATOM 209 C PHE A 15 -7.159 -4.870 5.491 1.00 0.00 C ATOM 210 O PHE A 15 -7.089 -4.813 4.264 1.00 0.00 O ATOM 211 CB PHE A 15 -7.332 -2.690 6.771 1.00 0.00 C ATOM 212 CG PHE A 15 -6.897 -1.712 5.700 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.437 -1.745 4.419 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.951 -0.741 5.990 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.037 -0.834 3.458 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.548 0.168 5.031 1.00 0.00 C ATOM 217 CZ PHE A 15 -6.092 0.122 3.764 1.00 0.00 C ATOM 0 H PHE A 15 -8.452 -4.208 8.308 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.876 -3.613 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.968 -2.163 7.483 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.448 -3.020 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.178 -2.491 4.171 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.523 -0.695 6.980 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.465 -0.872 2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.807 0.915 5.273 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.778 0.833 3.014 1.00 0.00 H new ATOM 227 N ASP A 16 -6.473 -5.757 6.210 1.00 0.00 N ATOM 228 CA ASP A 16 -5.557 -6.705 5.576 1.00 0.00 C ATOM 229 C ASP A 16 -6.328 -7.673 4.675 1.00 0.00 C ATOM 230 O ASP A 16 -5.819 -8.102 3.638 1.00 0.00 O ATOM 231 CB ASP A 16 -4.743 -7.483 6.626 1.00 0.00 C ATOM 232 CG ASP A 16 -5.517 -8.632 7.258 1.00 0.00 C ATOM 233 OD1 ASP A 16 -6.350 -8.378 8.152 1.00 0.00 O ATOM 234 OD2 ASP A 16 -5.291 -9.797 6.862 1.00 0.00 O ATOM 0 H ASP A 16 -6.533 -5.839 7.225 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.858 -6.136 4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.841 -7.876 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.422 -6.796 7.409 1.00 0.00 H new ATOM 239 N LYS A 17 -7.563 -8.005 5.064 1.00 0.00 N ATOM 240 CA LYS A 17 -8.412 -8.874 4.247 1.00 0.00 C ATOM 241 C LYS A 17 -8.761 -8.168 2.941 1.00 0.00 C ATOM 242 O LYS A 17 -8.804 -8.788 1.877 1.00 0.00 O ATOM 243 CB LYS A 17 -9.698 -9.275 4.995 1.00 0.00 C ATOM 244 CG LYS A 17 -10.593 -10.216 4.197 1.00 0.00 C ATOM 245 CD LYS A 17 -11.782 -10.757 4.998 1.00 0.00 C ATOM 246 CE LYS A 17 -11.378 -11.830 6.008 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.798 -11.262 7.254 1.00 0.00 N ATOM 0 H LYS A 17 -7.993 -7.688 5.933 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.857 -9.787 4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.428 -9.753 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.260 -8.375 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.967 -9.691 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.996 -11.054 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.265 -9.933 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.519 -11.171 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.251 -12.431 6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.652 -12.500 5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.772 -11.431 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.981 -10.239 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.235 -11.719 8.080 1.00 0.00 H new ATOM 261 N LEU A 18 -8.999 -6.860 3.036 1.00 0.00 N ATOM 262 CA LEU A 18 -9.233 -6.029 1.856 1.00 0.00 C ATOM 263 C LEU A 18 -8.032 -6.116 0.909 1.00 0.00 C ATOM 264 O LEU A 18 -8.188 -6.319 -0.297 1.00 0.00 O ATOM 265 CB LEU A 18 -9.487 -4.570 2.275 1.00 0.00 C ATOM 266 CG LEU A 18 -9.645 -3.559 1.125 1.00 0.00 C ATOM 267 CD1 LEU A 18 -10.810 -3.936 0.219 1.00 0.00 C ATOM 268 CD2 LEU A 18 -9.831 -2.148 1.672 1.00 0.00 C ATOM 0 H LEU A 18 -9.035 -6.353 3.920 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.116 -6.395 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.389 -4.539 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.661 -4.245 2.908 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.732 -3.584 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.898 -3.204 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.635 -4.924 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.733 -3.950 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.941 -1.448 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.724 -2.115 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.961 -1.871 2.268 1.00 0.00 H new ATOM 280 N LEU A 19 -6.837 -5.981 1.481 1.00 0.00 N ATOM 281 CA LEU A 19 -5.584 -6.089 0.728 1.00 0.00 C ATOM 282 C LEU A 19 -5.419 -7.485 0.127 1.00 0.00 C ATOM 283 O LEU A 19 -4.928 -7.635 -0.994 1.00 0.00 O ATOM 284 CB LEU A 19 -4.388 -5.763 1.643 1.00 0.00 C ATOM 285 CG LEU A 19 -4.016 -4.272 1.762 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.243 -3.402 2.016 1.00 0.00 C ATOM 287 CD2 LEU A 19 -2.978 -4.073 2.865 1.00 0.00 C ATOM 0 H LEU A 19 -6.708 -5.794 2.475 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.618 -5.370 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.605 -6.144 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.517 -6.306 1.277 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.586 -3.959 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.939 -2.358 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.946 -3.515 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.722 -3.711 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.724 -3.016 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.387 -4.415 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.081 -4.646 2.629 1.00 0.00 H new ATOM 299 N SER A 20 -5.839 -8.501 0.874 1.00 0.00 N ATOM 300 CA SER A 20 -5.691 -9.888 0.441 1.00 0.00 C ATOM 301 C SER A 20 -6.674 -10.229 -0.681 1.00 0.00 C ATOM 302 O SER A 20 -6.552 -11.272 -1.327 1.00 0.00 O ATOM 303 CB SER A 20 -5.885 -10.837 1.633 1.00 0.00 C ATOM 304 OG SER A 20 -4.926 -10.578 2.648 1.00 0.00 O ATOM 0 H SER A 20 -6.286 -8.390 1.784 1.00 0.00 H new ATOM 0 HA SER A 20 -4.682 -10.014 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.890 -10.718 2.038 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.796 -11.871 1.298 1.00 0.00 H new ATOM 0 HG SER A 20 -5.129 -9.722 3.079 1.00 0.00 H new ATOM 310 N HIS A 21 -7.642 -9.346 -0.921 1.00 0.00 N ATOM 311 CA HIS A 21 -8.632 -9.560 -1.974 1.00 0.00 C ATOM 312 C HIS A 21 -8.225 -8.783 -3.224 1.00 0.00 C ATOM 313 O HIS A 21 -8.203 -7.557 -3.203 1.00 0.00 O ATOM 314 CB HIS A 21 -10.033 -9.110 -1.509 1.00 0.00 C ATOM 315 CG HIS A 21 -11.149 -9.922 -2.089 1.00 0.00 C ATOM 316 ND1 HIS A 21 -11.955 -9.487 -3.122 1.00 0.00 N ATOM 317 CD2 HIS A 21 -11.593 -11.159 -1.763 1.00 0.00 C ATOM 318 CE1 HIS A 21 -12.844 -10.424 -3.404 1.00 0.00 C ATOM 319 NE2 HIS A 21 -12.642 -11.446 -2.597 1.00 0.00 N ATOM 0 H HIS A 21 -7.761 -8.477 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.673 -10.625 -2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.081 -9.167 -0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.178 -8.064 -1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.195 -11.800 -0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.606 -10.362 -4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -13.180 -12.312 -2.594 1.00 0.00 H new ATOM 328 N ARG A 22 -7.899 -9.494 -4.305 1.00 0.00 N ATOM 329 CA ARG A 22 -7.534 -8.854 -5.576 1.00 0.00 C ATOM 330 C ARG A 22 -8.570 -7.807 -5.983 1.00 0.00 C ATOM 331 O ARG A 22 -8.229 -6.673 -6.322 1.00 0.00 O ATOM 332 CB ARG A 22 -7.385 -9.908 -6.689 1.00 0.00 C ATOM 333 CG ARG A 22 -5.956 -10.407 -6.886 1.00 0.00 C ATOM 334 CD ARG A 22 -5.067 -9.331 -7.502 1.00 0.00 C ATOM 335 NE ARG A 22 -3.691 -9.792 -7.692 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.234 -10.379 -8.803 1.00 0.00 C ATOM 337 NH1 ARG A 22 -4.047 -10.614 -9.829 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.957 -10.731 -8.885 1.00 0.00 N ATOM 0 H ARG A 22 -7.879 -10.514 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.577 -8.352 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.027 -10.758 -6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.743 -9.484 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.542 -10.717 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.962 -11.287 -7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.482 -9.026 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.068 -8.450 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.035 -9.656 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.030 -10.346 -9.773 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.688 -11.062 -10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.328 -10.554 -8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.605 -11.179 -9.731 1.00 0.00 H new ATOM 352 N ASP A 23 -9.838 -8.199 -5.931 1.00 0.00 N ATOM 353 CA ASP A 23 -10.940 -7.307 -6.299 1.00 0.00 C ATOM 354 C ASP A 23 -11.090 -6.184 -5.266 1.00 0.00 C ATOM 355 O ASP A 23 -11.675 -5.138 -5.542 1.00 0.00 O ATOM 356 CB ASP A 23 -12.244 -8.112 -6.424 1.00 0.00 C ATOM 357 CG ASP A 23 -13.385 -7.323 -7.054 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.122 -6.525 -7.977 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.552 -7.523 -6.644 1.00 0.00 O ATOM 0 H ASP A 23 -10.132 -9.130 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.719 -6.850 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.056 -9.004 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.550 -8.450 -5.434 1.00 0.00 H new ATOM 364 N GLY A 24 -10.528 -6.412 -4.078 1.00 0.00 N ATOM 365 CA GLY A 24 -10.567 -5.418 -3.015 1.00 0.00 C ATOM 366 C GLY A 24 -9.509 -4.355 -3.208 1.00 0.00 C ATOM 367 O GLY A 24 -9.776 -3.166 -3.054 1.00 0.00 O ATOM 0 H GLY A 24 -10.043 -7.275 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.552 -4.951 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.420 -5.908 -2.052 1.00 0.00 H new ATOM 371 N LEU A 25 -8.302 -4.803 -3.544 1.00 0.00 N ATOM 372 CA LEU A 25 -7.202 -3.916 -3.910 1.00 0.00 C ATOM 373 C LEU A 25 -7.664 -2.928 -4.972 1.00 0.00 C ATOM 374 O LEU A 25 -7.498 -1.714 -4.839 1.00 0.00 O ATOM 375 CB LEU A 25 -6.040 -4.748 -4.470 1.00 0.00 C ATOM 376 CG LEU A 25 -4.895 -3.941 -5.109 1.00 0.00 C ATOM 377 CD1 LEU A 25 -3.872 -3.507 -4.061 1.00 0.00 C ATOM 378 CD2 LEU A 25 -4.243 -4.737 -6.238 1.00 0.00 C ATOM 0 H LEU A 25 -8.059 -5.793 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.875 -3.370 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.628 -5.354 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.436 -5.437 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.316 -3.033 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.076 -2.939 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.360 -2.883 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.449 -4.388 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.436 -4.151 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.840 -5.669 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.987 -4.961 -7.002 1.00 0.00 H new ATOM 390 N GLU A 26 -8.251 -3.483 -6.025 1.00 0.00 N ATOM 391 CA GLU A 26 -8.740 -2.709 -7.153 1.00 0.00 C ATOM 392 C GLU A 26 -9.785 -1.687 -6.696 1.00 0.00 C ATOM 393 O GLU A 26 -9.659 -0.494 -6.965 1.00 0.00 O ATOM 394 CB GLU A 26 -9.331 -3.663 -8.199 1.00 0.00 C ATOM 395 CG GLU A 26 -9.840 -2.979 -9.465 1.00 0.00 C ATOM 396 CD GLU A 26 -8.721 -2.450 -10.348 1.00 0.00 C ATOM 397 OE1 GLU A 26 -8.137 -3.250 -11.113 1.00 0.00 O ATOM 398 OE2 GLU A 26 -8.419 -1.240 -10.287 1.00 0.00 O ATOM 0 H GLU A 26 -8.401 -4.488 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.912 -2.157 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.571 -4.393 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.153 -4.216 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.442 -3.686 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.496 -2.154 -9.187 1.00 0.00 H new ATOM 405 N ALA A 27 -10.805 -2.162 -5.984 1.00 0.00 N ATOM 406 CA ALA A 27 -11.872 -1.291 -5.489 1.00 0.00 C ATOM 407 C ALA A 27 -11.307 -0.187 -4.593 1.00 0.00 C ATOM 408 O ALA A 27 -11.737 0.968 -4.663 1.00 0.00 O ATOM 409 CB ALA A 27 -12.915 -2.110 -4.735 1.00 0.00 C ATOM 0 H ALA A 27 -10.916 -3.145 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.351 -0.817 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.703 -1.450 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.345 -2.855 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.443 -2.611 -3.890 1.00 0.00 H new ATOM 415 N PHE A 28 -10.326 -0.548 -3.770 1.00 0.00 N ATOM 416 CA PHE A 28 -9.715 0.390 -2.837 1.00 0.00 C ATOM 417 C PHE A 28 -8.938 1.470 -3.585 1.00 0.00 C ATOM 418 O PHE A 28 -9.116 2.657 -3.321 1.00 0.00 O ATOM 419 CB PHE A 28 -8.792 -0.347 -1.853 1.00 0.00 C ATOM 420 CG PHE A 28 -8.126 0.563 -0.845 1.00 0.00 C ATOM 421 CD1 PHE A 28 -8.866 1.156 0.170 1.00 0.00 C ATOM 422 CD2 PHE A 28 -6.764 0.827 -0.915 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.262 1.990 1.093 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.156 1.660 0.007 1.00 0.00 C ATOM 425 CZ PHE A 28 -6.907 2.244 1.010 1.00 0.00 C ATOM 0 H PHE A 28 -9.936 -1.490 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.513 0.870 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.372 -1.101 -1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.023 -0.875 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -9.926 0.963 0.239 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.173 0.377 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.849 2.442 1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.095 1.854 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.435 2.898 1.728 1.00 0.00 H new ATOM 435 N THR A 29 -8.090 1.059 -4.525 1.00 0.00 N ATOM 436 CA THR A 29 -7.255 2.004 -5.258 1.00 0.00 C ATOM 437 C THR A 29 -8.123 2.917 -6.131 1.00 0.00 C ATOM 438 O THR A 29 -7.853 4.113 -6.249 1.00 0.00 O ATOM 439 CB THR A 29 -6.171 1.288 -6.114 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.244 2.245 -6.646 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.785 0.494 -7.263 1.00 0.00 C ATOM 0 H THR A 29 -7.964 0.084 -4.795 1.00 0.00 H new ATOM 0 HA THR A 29 -6.729 2.614 -4.523 1.00 0.00 H new ATOM 0 HB THR A 29 -5.651 0.592 -5.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.482 1.775 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.993 0.010 -7.835 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.458 -0.264 -6.863 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.343 1.168 -7.914 1.00 0.00 H new ATOM 449 N ARG A 30 -9.197 2.362 -6.702 1.00 0.00 N ATOM 450 CA ARG A 30 -10.139 3.148 -7.503 1.00 0.00 C ATOM 451 C ARG A 30 -10.711 4.300 -6.679 1.00 0.00 C ATOM 452 O ARG A 30 -10.851 5.424 -7.172 1.00 0.00 O ATOM 453 CB ARG A 30 -11.282 2.264 -8.027 1.00 0.00 C ATOM 454 CG ARG A 30 -10.854 1.271 -9.103 1.00 0.00 C ATOM 455 CD ARG A 30 -12.021 0.402 -9.564 1.00 0.00 C ATOM 456 NE ARG A 30 -13.150 1.206 -10.041 1.00 0.00 N ATOM 457 CZ ARG A 30 -14.220 0.713 -10.670 1.00 0.00 C ATOM 458 NH1 ARG A 30 -14.301 -0.584 -10.951 1.00 0.00 N ATOM 459 NH2 ARG A 30 -15.204 1.527 -11.027 1.00 0.00 N ATOM 0 H ARG A 30 -9.435 1.373 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.596 3.557 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.715 1.714 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.068 2.904 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.444 1.812 -9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.057 0.636 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.686 -0.261 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.349 -0.231 -8.740 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.116 2.213 -9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.542 -1.212 -10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.122 -0.951 -11.432 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.141 2.524 -10.821 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.024 1.156 -11.508 1.00 0.00 H new ATOM 473 N PHE A 31 -11.041 4.012 -5.425 1.00 0.00 N ATOM 474 CA PHE A 31 -11.530 5.032 -4.505 1.00 0.00 C ATOM 475 C PHE A 31 -10.391 5.957 -4.079 1.00 0.00 C ATOM 476 O PHE A 31 -10.537 7.174 -4.060 1.00 0.00 O ATOM 477 CB PHE A 31 -12.173 4.379 -3.270 1.00 0.00 C ATOM 478 CG PHE A 31 -12.483 5.355 -2.157 1.00 0.00 C ATOM 479 CD1 PHE A 31 -13.473 6.317 -2.312 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.772 5.319 -0.963 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.748 7.218 -1.300 1.00 0.00 C ATOM 482 CE2 PHE A 31 -12.044 6.219 0.050 1.00 0.00 C ATOM 483 CZ PHE A 31 -13.032 7.169 -0.119 1.00 0.00 C ATOM 0 H PHE A 31 -10.978 3.077 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.287 5.624 -5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.095 3.881 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.504 3.607 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -14.034 6.362 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.998 4.579 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.522 7.960 -1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.484 6.179 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 31 -13.245 7.873 0.671 1.00 0.00 H new ATOM 493 N LEU A 32 -9.249 5.364 -3.770 1.00 0.00 N ATOM 494 CA LEU A 32 -8.107 6.103 -3.244 1.00 0.00 C ATOM 495 C LEU A 32 -7.608 7.143 -4.253 1.00 0.00 C ATOM 496 O LEU A 32 -7.062 8.187 -3.880 1.00 0.00 O ATOM 497 CB LEU A 32 -6.986 5.119 -2.885 1.00 0.00 C ATOM 498 CG LEU A 32 -5.872 5.685 -1.997 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.434 6.143 -0.656 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.771 4.650 -1.795 1.00 0.00 C ATOM 0 H LEU A 32 -9.085 4.363 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.419 6.639 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.428 4.260 -2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.539 4.751 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.440 6.551 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.627 6.541 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.182 6.919 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.895 5.297 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.989 5.070 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.188 3.764 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.348 4.376 -2.761 1.00 0.00 H new ATOM 512 N LYS A 33 -7.812 6.858 -5.535 1.00 0.00 N ATOM 513 CA LYS A 33 -7.380 7.755 -6.604 1.00 0.00 C ATOM 514 C LYS A 33 -8.357 8.915 -6.792 1.00 0.00 C ATOM 515 O LYS A 33 -8.100 9.824 -7.580 1.00 0.00 O ATOM 516 CB LYS A 33 -7.195 6.975 -7.916 1.00 0.00 C ATOM 517 CG LYS A 33 -6.071 5.947 -7.840 1.00 0.00 C ATOM 518 CD LYS A 33 -5.832 5.221 -9.159 1.00 0.00 C ATOM 519 CE LYS A 33 -4.684 4.227 -9.030 1.00 0.00 C ATOM 520 NZ LYS A 33 -4.341 3.589 -10.326 1.00 0.00 N ATOM 0 H LYS A 33 -8.275 6.010 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.420 8.182 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.127 6.469 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.986 7.676 -8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.151 6.446 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.308 5.215 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.739 4.698 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.606 5.945 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.806 4.739 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.954 3.456 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.555 2.922 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.170 3.077 -10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.057 4.320 -11.009 1.00 0.00 H new ATOM 534 N THR A 34 -9.473 8.897 -6.061 1.00 0.00 N ATOM 535 CA THR A 34 -10.425 10.005 -6.109 1.00 0.00 C ATOM 536 C THR A 34 -9.987 11.104 -5.138 1.00 0.00 C ATOM 537 O THR A 34 -10.433 12.249 -5.231 1.00 0.00 O ATOM 538 CB THR A 34 -11.880 9.549 -5.784 1.00 0.00 C ATOM 539 OG1 THR A 34 -12.826 10.400 -6.450 1.00 0.00 O ATOM 540 CG2 THR A 34 -12.167 9.582 -4.283 1.00 0.00 C ATOM 0 H THR A 34 -9.737 8.136 -5.436 1.00 0.00 H new ATOM 0 HA THR A 34 -10.430 10.392 -7.128 1.00 0.00 H new ATOM 0 HB THR A 34 -11.978 8.522 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.736 10.104 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.191 9.257 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.477 8.915 -3.766 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.037 10.598 -3.910 1.00 0.00 H new ATOM 548 N GLU A 35 -9.107 10.742 -4.200 1.00 0.00 N ATOM 549 CA GLU A 35 -8.558 11.698 -3.235 1.00 0.00 C ATOM 550 C GLU A 35 -7.057 11.901 -3.466 1.00 0.00 C ATOM 551 O GLU A 35 -6.406 12.658 -2.744 1.00 0.00 O ATOM 552 CB GLU A 35 -8.832 11.227 -1.798 1.00 0.00 C ATOM 553 CG GLU A 35 -8.388 9.795 -1.513 1.00 0.00 C ATOM 554 CD GLU A 35 -8.676 9.367 -0.082 1.00 0.00 C ATOM 555 OE1 GLU A 35 -9.861 9.142 0.244 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.718 9.257 0.715 1.00 0.00 O ATOM 0 H GLU A 35 -8.759 9.790 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.053 12.658 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.324 11.898 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.900 11.311 -1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.895 9.118 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.319 9.704 -1.707 1.00 0.00 H new ATOM 563 N PHE A 36 -6.525 11.211 -4.479 1.00 0.00 N ATOM 564 CA PHE A 36 -5.130 11.369 -4.914 1.00 0.00 C ATOM 565 C PHE A 36 -4.140 10.840 -3.862 1.00 0.00 C ATOM 566 O PHE A 36 -2.943 11.117 -3.920 1.00 0.00 O ATOM 567 CB PHE A 36 -4.844 12.847 -5.259 1.00 0.00 C ATOM 568 CG PHE A 36 -3.482 13.093 -5.870 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.142 12.526 -7.091 1.00 0.00 C ATOM 570 CD2 PHE A 36 -2.541 13.883 -5.221 1.00 0.00 C ATOM 571 CE1 PHE A 36 -1.897 12.743 -7.650 1.00 0.00 C ATOM 572 CE2 PHE A 36 -1.295 14.101 -5.776 1.00 0.00 C ATOM 573 CZ PHE A 36 -0.973 13.531 -6.992 1.00 0.00 C ATOM 0 H PHE A 36 -7.049 10.525 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.987 10.769 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.609 13.201 -5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.935 13.444 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.859 11.908 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.787 14.332 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.647 12.297 -8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.573 14.717 -5.260 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.000 13.701 -7.428 1.00 0.00 H new ATOM 583 N SER A 37 -4.633 10.036 -2.925 1.00 0.00 N ATOM 584 CA SER A 37 -3.771 9.424 -1.911 1.00 0.00 C ATOM 585 C SER A 37 -3.154 8.125 -2.449 1.00 0.00 C ATOM 586 O SER A 37 -2.508 7.377 -1.716 1.00 0.00 O ATOM 587 CB SER A 37 -4.575 9.156 -0.634 1.00 0.00 C ATOM 588 OG SER A 37 -5.182 10.346 -0.152 1.00 0.00 O ATOM 0 H SER A 37 -5.620 9.792 -2.844 1.00 0.00 H new ATOM 0 HA SER A 37 -2.960 10.112 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.342 8.408 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.919 8.743 0.132 1.00 0.00 H new ATOM 0 HG SER A 37 -6.079 10.142 0.187 1.00 0.00 H new ATOM 594 N GLU A 38 -3.343 7.897 -3.748 1.00 0.00 N ATOM 595 CA GLU A 38 -2.878 6.688 -4.438 1.00 0.00 C ATOM 596 C GLU A 38 -1.369 6.468 -4.281 1.00 0.00 C ATOM 597 O GLU A 38 -0.872 5.358 -4.471 1.00 0.00 O ATOM 598 CB GLU A 38 -3.243 6.794 -5.922 1.00 0.00 C ATOM 599 CG GLU A 38 -2.734 8.074 -6.584 1.00 0.00 C ATOM 600 CD GLU A 38 -3.283 8.277 -7.988 1.00 0.00 C ATOM 601 OE1 GLU A 38 -2.710 7.713 -8.946 1.00 0.00 O ATOM 602 OE2 GLU A 38 -4.284 9.010 -8.143 1.00 0.00 O ATOM 0 H GLU A 38 -3.829 8.552 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.370 5.828 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.834 5.933 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.327 6.747 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.007 8.929 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.645 8.046 -6.626 1.00 0.00 H new ATOM 609 N GLU A 39 -0.659 7.531 -3.928 1.00 0.00 N ATOM 610 CA GLU A 39 0.793 7.485 -3.743 1.00 0.00 C ATOM 611 C GLU A 39 1.204 6.318 -2.831 1.00 0.00 C ATOM 612 O GLU A 39 2.216 5.651 -3.064 1.00 0.00 O ATOM 613 CB GLU A 39 1.267 8.813 -3.128 1.00 0.00 C ATOM 614 CG GLU A 39 0.732 10.056 -3.839 1.00 0.00 C ATOM 615 CD GLU A 39 1.287 10.227 -5.244 1.00 0.00 C ATOM 616 OE1 GLU A 39 0.747 9.619 -6.193 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.272 10.973 -5.408 1.00 0.00 O ATOM 0 H GLU A 39 -1.068 8.450 -3.761 1.00 0.00 H new ATOM 0 HA GLU A 39 1.260 7.333 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.962 8.846 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.357 8.840 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.355 9.998 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.977 10.939 -3.248 1.00 0.00 H new ATOM 624 N ASN A 40 0.393 6.066 -1.808 1.00 0.00 N ATOM 625 CA ASN A 40 0.735 5.100 -0.763 1.00 0.00 C ATOM 626 C ASN A 40 0.441 3.656 -1.189 1.00 0.00 C ATOM 627 O ASN A 40 1.227 2.746 -0.894 1.00 0.00 O ATOM 628 CB ASN A 40 0.003 5.459 0.544 1.00 0.00 C ATOM 629 CG ASN A 40 -1.509 5.541 0.399 1.00 0.00 C ATOM 630 OD1 ASN A 40 -2.128 4.750 -0.300 1.00 0.00 O ATOM 631 ND2 ASN A 40 -2.113 6.523 1.049 1.00 0.00 N ATOM 0 H ASN A 40 -0.512 6.519 -1.678 1.00 0.00 H new ATOM 0 HA ASN A 40 1.810 5.158 -0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.246 4.714 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.376 6.417 0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.124 6.637 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.568 7.165 1.624 1.00 0.00 H new ATOM 638 N ILE A 41 -0.671 3.447 -1.893 1.00 0.00 N ATOM 639 CA ILE A 41 -1.050 2.108 -2.337 1.00 0.00 C ATOM 640 C ILE A 41 -0.030 1.593 -3.351 1.00 0.00 C ATOM 641 O ILE A 41 0.419 0.447 -3.265 1.00 0.00 O ATOM 642 CB ILE A 41 -2.493 2.073 -2.931 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.933 0.632 -3.252 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.607 2.947 -4.176 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.061 -0.260 -2.034 1.00 0.00 C ATOM 0 H ILE A 41 -1.321 4.184 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.053 1.453 -1.466 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.161 2.475 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.892 0.663 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.214 0.188 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.625 2.899 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.365 3.978 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.913 2.589 -4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.374 -1.257 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.098 -0.324 -1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.803 0.158 -1.353 1.00 0.00 H new ATOM 657 N GLU A 42 0.365 2.465 -4.283 1.00 0.00 N ATOM 658 CA GLU A 42 1.393 2.131 -5.266 1.00 0.00 C ATOM 659 C GLU A 42 2.751 1.934 -4.585 1.00 0.00 C ATOM 660 O GLU A 42 3.569 1.128 -5.038 1.00 0.00 O ATOM 661 CB GLU A 42 1.491 3.217 -6.357 1.00 0.00 C ATOM 662 CG GLU A 42 0.693 2.912 -7.627 1.00 0.00 C ATOM 663 CD GLU A 42 -0.817 2.913 -7.422 1.00 0.00 C ATOM 664 OE1 GLU A 42 -1.387 1.850 -7.095 1.00 0.00 O ATOM 665 OE2 GLU A 42 -1.446 3.976 -7.633 1.00 0.00 O ATOM 0 H GLU A 42 -0.013 3.408 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 42 1.106 1.194 -5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.143 4.163 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.539 3.352 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.947 3.648 -8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.997 1.938 -8.010 1.00 0.00 H new ATOM 672 N PHE A 43 2.977 2.669 -3.497 1.00 0.00 N ATOM 673 CA PHE A 43 4.227 2.582 -2.743 1.00 0.00 C ATOM 674 C PHE A 43 4.524 1.142 -2.309 1.00 0.00 C ATOM 675 O PHE A 43 5.446 0.501 -2.831 1.00 0.00 O ATOM 676 CB PHE A 43 4.179 3.506 -1.512 1.00 0.00 C ATOM 677 CG PHE A 43 5.406 3.435 -0.629 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.529 4.199 -0.910 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.433 2.605 0.486 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.650 4.137 -0.101 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.551 2.539 1.296 1.00 0.00 C ATOM 682 CZ PHE A 43 7.659 3.307 1.003 1.00 0.00 C ATOM 0 H PHE A 43 2.306 3.336 -3.116 1.00 0.00 H new ATOM 0 HA PHE A 43 5.032 2.907 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.048 4.534 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.302 3.252 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.529 4.851 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.568 2.003 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.517 4.737 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.557 1.887 2.157 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.533 3.259 1.636 1.00 0.00 H new ATOM 692 N TRP A 44 3.743 0.618 -1.366 1.00 0.00 N ATOM 693 CA TRP A 44 4.084 -0.674 -0.774 1.00 0.00 C ATOM 694 C TRP A 44 3.635 -1.854 -1.636 1.00 0.00 C ATOM 695 O TRP A 44 4.115 -2.971 -1.435 1.00 0.00 O ATOM 696 CB TRP A 44 3.586 -0.806 0.677 1.00 0.00 C ATOM 697 CG TRP A 44 2.135 -0.498 0.900 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.621 0.620 1.490 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.014 -1.324 0.565 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.255 0.537 1.547 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.144 -0.642 0.978 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.878 -2.573 -0.048 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.419 -1.169 0.799 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.388 -3.092 -0.229 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.522 -2.391 0.195 1.00 0.00 C ATOM 0 H TRP A 44 2.894 1.052 -1.004 1.00 0.00 H new ATOM 0 HA TRP A 44 5.173 -0.708 -0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.778 -1.824 1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.180 -0.143 1.307 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.206 1.450 1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.365 1.240 1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.749 -3.122 -0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.297 -0.631 1.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.505 -4.054 -0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.499 -2.824 0.042 1.00 0.00 H new ATOM 716 N ILE A 45 2.742 -1.632 -2.605 1.00 0.00 N ATOM 717 CA ILE A 45 2.397 -2.707 -3.542 1.00 0.00 C ATOM 718 C ILE A 45 3.618 -3.019 -4.406 1.00 0.00 C ATOM 719 O ILE A 45 3.884 -4.176 -4.744 1.00 0.00 O ATOM 720 CB ILE A 45 1.175 -2.373 -4.445 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.648 -3.651 -5.124 1.00 0.00 C ATOM 722 CG2 ILE A 45 1.534 -1.323 -5.495 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.553 -3.423 -6.022 1.00 0.00 C ATOM 0 H ILE A 45 2.258 -0.748 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 45 2.107 -3.575 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 45 0.390 -1.960 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.451 -4.094 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.381 -4.375 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.660 -1.110 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.859 -0.409 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.339 -1.700 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.863 -4.371 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.373 -3.010 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.287 -2.724 -6.815 1.00 0.00 H new ATOM 735 N ALA A 46 4.378 -1.970 -4.733 1.00 0.00 N ATOM 736 CA ALA A 46 5.646 -2.123 -5.433 1.00 0.00 C ATOM 737 C ALA A 46 6.645 -2.839 -4.530 1.00 0.00 C ATOM 738 O ALA A 46 7.445 -3.654 -4.986 1.00 0.00 O ATOM 739 CB ALA A 46 6.186 -0.763 -5.863 1.00 0.00 C ATOM 0 H ALA A 46 4.131 -1.003 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 46 5.489 -2.721 -6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.134 -0.896 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.470 -0.281 -6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.341 -0.138 -4.983 1.00 0.00 H new ATOM 745 N CYS A 47 6.576 -2.532 -3.237 1.00 0.00 N ATOM 746 CA CYS A 47 7.418 -3.188 -2.242 1.00 0.00 C ATOM 747 C CYS A 47 7.060 -4.676 -2.110 1.00 0.00 C ATOM 748 O CYS A 47 7.891 -5.492 -1.696 1.00 0.00 O ATOM 749 CB CYS A 47 7.291 -2.480 -0.889 1.00 0.00 C ATOM 750 SG CYS A 47 7.746 -0.730 -0.929 1.00 0.00 S ATOM 0 H CYS A 47 5.943 -1.830 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 47 8.454 -3.122 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.263 -2.570 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.921 -2.992 -0.162 1.00 0.00 H new ATOM 0 HG CYS A 47 6.889 -0.075 -1.655 1.00 0.00 H new ATOM 756 N GLU A 48 5.823 -5.034 -2.460 1.00 0.00 N ATOM 757 CA GLU A 48 5.413 -6.436 -2.461 1.00 0.00 C ATOM 758 C GLU A 48 5.831 -7.116 -3.763 1.00 0.00 C ATOM 759 O GLU A 48 5.981 -8.339 -3.812 1.00 0.00 O ATOM 760 CB GLU A 48 3.906 -6.586 -2.214 1.00 0.00 C ATOM 761 CG GLU A 48 3.469 -6.110 -0.834 1.00 0.00 C ATOM 762 CD GLU A 48 4.115 -6.919 0.283 1.00 0.00 C ATOM 763 OE1 GLU A 48 5.231 -6.562 0.716 1.00 0.00 O ATOM 764 OE2 GLU A 48 3.519 -7.925 0.720 1.00 0.00 O ATOM 0 H GLU A 48 5.095 -4.378 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 48 5.924 -6.933 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.363 -6.023 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.628 -7.633 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.728 -5.058 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.384 -6.182 -0.753 1.00 0.00 H new ATOM 771 N ASP A 49 6.032 -6.321 -4.815 1.00 0.00 N ATOM 772 CA ASP A 49 6.673 -6.822 -6.033 1.00 0.00 C ATOM 773 C ASP A 49 8.134 -7.132 -5.722 1.00 0.00 C ATOM 774 O ASP A 49 8.674 -8.162 -6.127 1.00 0.00 O ATOM 775 CB ASP A 49 6.574 -5.808 -7.179 1.00 0.00 C ATOM 776 CG ASP A 49 7.360 -6.248 -8.407 1.00 0.00 C ATOM 777 OD1 ASP A 49 6.984 -7.267 -9.029 1.00 0.00 O ATOM 778 OD2 ASP A 49 8.359 -5.580 -8.759 1.00 0.00 O ATOM 0 H ASP A 49 5.764 -5.338 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 49 6.158 -7.726 -6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.527 -5.670 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.945 -4.841 -6.839 1.00 0.00 H new ATOM 783 N PHE A 50 8.747 -6.223 -4.974 1.00 0.00 N ATOM 784 CA PHE A 50 10.072 -6.431 -4.398 1.00 0.00 C ATOM 785 C PHE A 50 10.078 -7.690 -3.527 1.00 0.00 C ATOM 786 O PHE A 50 11.078 -8.403 -3.446 1.00 0.00 O ATOM 787 CB PHE A 50 10.454 -5.184 -3.573 1.00 0.00 C ATOM 788 CG PHE A 50 11.500 -5.403 -2.500 1.00 0.00 C ATOM 789 CD1 PHE A 50 12.851 -5.300 -2.790 1.00 0.00 C ATOM 790 CD2 PHE A 50 11.123 -5.697 -1.193 1.00 0.00 C ATOM 791 CE1 PHE A 50 13.801 -5.486 -1.807 1.00 0.00 C ATOM 792 CE2 PHE A 50 12.072 -5.883 -0.208 1.00 0.00 C ATOM 793 CZ PHE A 50 13.413 -5.778 -0.515 1.00 0.00 C ATOM 0 H PHE A 50 8.338 -5.316 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 50 10.806 -6.574 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.816 -4.416 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.553 -4.792 -3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.164 -5.071 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.075 -5.781 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.850 -5.403 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.765 -6.111 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.157 -5.924 0.254 1.00 0.00 H new ATOM 803 N LYS A 51 8.938 -7.959 -2.894 1.00 0.00 N ATOM 804 CA LYS A 51 8.806 -9.085 -1.976 1.00 0.00 C ATOM 805 C LYS A 51 8.756 -10.418 -2.733 1.00 0.00 C ATOM 806 O LYS A 51 9.349 -11.407 -2.295 1.00 0.00 O ATOM 807 CB LYS A 51 7.541 -8.912 -1.114 1.00 0.00 C ATOM 808 CG LYS A 51 7.644 -9.548 0.266 1.00 0.00 C ATOM 809 CD LYS A 51 8.742 -8.894 1.110 1.00 0.00 C ATOM 810 CE LYS A 51 8.324 -7.541 1.702 1.00 0.00 C ATOM 811 NZ LYS A 51 7.869 -6.562 0.677 1.00 0.00 N ATOM 0 H LYS A 51 8.087 -7.407 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 51 9.683 -9.102 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.334 -7.848 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.692 -9.346 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.687 -9.458 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.851 -10.613 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.018 -9.568 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.631 -8.755 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.522 -7.700 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.165 -7.117 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.894 -5.603 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.498 -6.608 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.897 -6.791 0.386 1.00 0.00 H new ATOM 825 N LYS A 52 8.044 -10.445 -3.862 1.00 0.00 N ATOM 826 CA LYS A 52 7.934 -11.666 -4.670 1.00 0.00 C ATOM 827 C LYS A 52 9.225 -11.935 -5.441 1.00 0.00 C ATOM 828 O LYS A 52 9.533 -13.083 -5.767 1.00 0.00 O ATOM 829 CB LYS A 52 6.734 -11.600 -5.635 1.00 0.00 C ATOM 830 CG LYS A 52 6.590 -10.268 -6.362 1.00 0.00 C ATOM 831 CD LYS A 52 5.531 -10.312 -7.463 1.00 0.00 C ATOM 832 CE LYS A 52 6.090 -10.879 -8.763 1.00 0.00 C ATOM 833 NZ LYS A 52 7.133 -9.988 -9.344 1.00 0.00 N ATOM 0 H LYS A 52 7.538 -9.643 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 52 7.766 -12.494 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.832 -12.396 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.820 -11.796 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.329 -9.492 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.550 -9.990 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.689 -10.920 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.148 -9.307 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.515 -11.866 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.281 -11.010 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.166 -10.118 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.903 -8.997 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.059 -10.226 -8.936 1.00 0.00 H new ATOM 847 N SER A 53 9.981 -10.881 -5.734 1.00 0.00 N ATOM 848 CA SER A 53 11.280 -11.034 -6.379 1.00 0.00 C ATOM 849 C SER A 53 12.320 -11.481 -5.346 1.00 0.00 C ATOM 850 O SER A 53 13.248 -10.745 -5.018 1.00 0.00 O ATOM 851 CB SER A 53 11.692 -9.720 -7.057 1.00 0.00 C ATOM 852 OG SER A 53 11.609 -8.628 -6.158 1.00 0.00 O ATOM 0 H SER A 53 9.718 -9.916 -5.536 1.00 0.00 H new ATOM 0 HA SER A 53 11.216 -11.800 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.711 -9.807 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.049 -9.535 -7.917 1.00 0.00 H new ATOM 0 HG SER A 53 11.506 -8.964 -5.243 1.00 0.00 H new ATOM 858 N LYS A 54 12.146 -12.706 -4.854 1.00 0.00 N ATOM 859 CA LYS A 54 12.921 -13.228 -3.723 1.00 0.00 C ATOM 860 C LYS A 54 14.342 -13.654 -4.111 1.00 0.00 C ATOM 861 O LYS A 54 14.994 -14.388 -3.365 1.00 0.00 O ATOM 862 CB LYS A 54 12.156 -14.399 -3.066 1.00 0.00 C ATOM 863 CG LYS A 54 11.613 -15.456 -4.042 1.00 0.00 C ATOM 864 CD LYS A 54 12.700 -16.351 -4.651 1.00 0.00 C ATOM 865 CE LYS A 54 13.285 -17.347 -3.643 1.00 0.00 C ATOM 866 NZ LYS A 54 14.111 -16.691 -2.592 1.00 0.00 N ATOM 0 H LYS A 54 11.464 -13.367 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 54 13.037 -12.415 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.819 -14.891 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.321 -13.992 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.890 -16.082 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.076 -14.953 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.282 -16.899 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.502 -15.725 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.472 -17.896 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.895 -18.077 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.959 -17.264 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.396 -15.744 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.555 -16.605 -1.717 1.00 0.00 H new ATOM 880 N GLY A 55 14.819 -13.203 -5.265 1.00 0.00 N ATOM 881 CA GLY A 55 16.186 -13.493 -5.660 1.00 0.00 C ATOM 882 C GLY A 55 17.176 -12.755 -4.773 1.00 0.00 C ATOM 883 O GLY A 55 16.998 -11.562 -4.530 1.00 0.00 O ATOM 0 H GLY A 55 14.287 -12.644 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.367 -14.566 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.337 -13.203 -6.700 1.00 0.00 H new ATOM 887 N PRO A 56 18.233 -13.427 -4.278 1.00 0.00 N ATOM 888 CA PRO A 56 19.173 -12.833 -3.313 1.00 0.00 C ATOM 889 C PRO A 56 19.765 -11.510 -3.805 1.00 0.00 C ATOM 890 O PRO A 56 19.880 -10.549 -3.043 1.00 0.00 O ATOM 891 CB PRO A 56 20.267 -13.905 -3.155 1.00 0.00 C ATOM 892 CG PRO A 56 20.082 -14.831 -4.314 1.00 0.00 C ATOM 893 CD PRO A 56 18.612 -14.806 -4.627 1.00 0.00 C ATOM 0 HA PRO A 56 18.680 -12.580 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.261 -13.457 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.165 -14.435 -2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.670 -14.506 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.412 -15.840 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 56 18.417 -15.027 -5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.060 -15.539 -4.039 1.00 0.00 H new ATOM 901 N GLN A 57 20.127 -11.464 -5.083 1.00 0.00 N ATOM 902 CA GLN A 57 20.686 -10.255 -5.686 1.00 0.00 C ATOM 903 C GLN A 57 19.563 -9.383 -6.238 1.00 0.00 C ATOM 904 O GLN A 57 19.672 -8.154 -6.284 1.00 0.00 O ATOM 905 CB GLN A 57 21.672 -10.631 -6.799 1.00 0.00 C ATOM 906 CG GLN A 57 22.829 -11.494 -6.310 1.00 0.00 C ATOM 907 CD GLN A 57 23.758 -11.941 -7.425 1.00 0.00 C ATOM 908 OE1 GLN A 57 23.932 -11.247 -8.430 1.00 0.00 O ATOM 909 NE2 GLN A 57 24.366 -13.105 -7.251 1.00 0.00 N ATOM 0 H GLN A 57 20.044 -12.252 -5.725 1.00 0.00 H new ATOM 0 HA GLN A 57 21.223 -9.690 -4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.137 -11.164 -7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 57 22.070 -9.720 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 57 23.403 -10.935 -5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 57 22.429 -12.373 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 57 24.195 -13.648 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.006 -13.458 -7.963 1.00 0.00 H new ATOM 918 N GLN A 58 18.477 -10.040 -6.635 1.00 0.00 N ATOM 919 CA GLN A 58 17.290 -9.368 -7.156 1.00 0.00 C ATOM 920 C GLN A 58 16.781 -8.352 -6.132 1.00 0.00 C ATOM 921 O GLN A 58 16.422 -7.225 -6.477 1.00 0.00 O ATOM 922 CB GLN A 58 16.202 -10.414 -7.457 1.00 0.00 C ATOM 923 CG GLN A 58 15.066 -9.926 -8.348 1.00 0.00 C ATOM 924 CD GLN A 58 15.493 -9.738 -9.794 1.00 0.00 C ATOM 925 OE1 GLN A 58 15.920 -8.659 -10.196 1.00 0.00 O ATOM 926 NE2 GLN A 58 15.397 -10.797 -10.584 1.00 0.00 N ATOM 0 H GLN A 58 18.395 -11.056 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 58 17.541 -8.841 -8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.670 -11.277 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.780 -10.759 -6.513 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.244 -10.641 -8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.686 -8.981 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.037 -11.677 -10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.683 -10.732 -11.561 1.00 0.00 H new ATOM 935 N ILE A 59 16.787 -8.769 -4.868 1.00 0.00 N ATOM 936 CA ILE A 59 16.371 -7.925 -3.748 1.00 0.00 C ATOM 937 C ILE A 59 17.147 -6.607 -3.727 1.00 0.00 C ATOM 938 O ILE A 59 16.578 -5.549 -3.465 1.00 0.00 O ATOM 939 CB ILE A 59 16.569 -8.668 -2.395 1.00 0.00 C ATOM 940 CG1 ILE A 59 15.582 -9.842 -2.272 1.00 0.00 C ATOM 941 CG2 ILE A 59 16.424 -7.717 -1.206 1.00 0.00 C ATOM 942 CD1 ILE A 59 14.125 -9.423 -2.264 1.00 0.00 C ATOM 0 H ILE A 59 17.081 -9.705 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 59 15.312 -7.703 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 59 17.585 -9.063 -2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.747 -10.531 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 59 15.797 -10.390 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 59 16.568 -8.270 -0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 59 17.172 -6.928 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 59 15.428 -7.275 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.493 -10.306 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.942 -8.759 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.891 -8.902 -3.192 1.00 0.00 H new ATOM 954 N HIS A 60 18.441 -6.675 -4.030 1.00 0.00 N ATOM 955 CA HIS A 60 19.310 -5.499 -3.959 1.00 0.00 C ATOM 956 C HIS A 60 18.912 -4.454 -5.002 1.00 0.00 C ATOM 957 O HIS A 60 18.693 -3.286 -4.671 1.00 0.00 O ATOM 958 CB HIS A 60 20.785 -5.897 -4.141 1.00 0.00 C ATOM 959 CG HIS A 60 21.339 -6.700 -3.000 1.00 0.00 C ATOM 960 ND1 HIS A 60 20.949 -7.888 -2.482 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 22.427 -6.301 -2.251 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 21.799 -8.180 -1.446 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 22.680 -7.208 -1.327 1.00 0.00 N flip ATOM 0 H HIS A 60 18.912 -7.530 -4.327 1.00 0.00 H new ATOM 0 HA HIS A 60 19.188 -5.058 -2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 60 20.886 -6.472 -5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 60 21.383 -4.994 -4.262 1.00 0.00 H new ATOM 0 HD1 HIS A 60 20.168 -8.460 -2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 60 22.985 -5.388 -2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 60 21.753 -9.064 -0.828 1.00 0.00 H new ATOM 972 N LEU A 61 18.803 -4.881 -6.257 1.00 0.00 N ATOM 973 CA LEU A 61 18.482 -3.962 -7.350 1.00 0.00 C ATOM 974 C LEU A 61 17.035 -3.471 -7.246 1.00 0.00 C ATOM 975 O LEU A 61 16.725 -2.335 -7.618 1.00 0.00 O ATOM 976 CB LEU A 61 18.772 -4.625 -8.714 1.00 0.00 C ATOM 977 CG LEU A 61 18.039 -5.953 -9.005 1.00 0.00 C ATOM 978 CD1 LEU A 61 16.627 -5.706 -9.535 1.00 0.00 C ATOM 979 CD2 LEU A 61 18.842 -6.808 -9.985 1.00 0.00 C ATOM 0 H LEU A 61 18.931 -5.852 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 61 19.123 -3.084 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 18.516 -3.915 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.845 -4.805 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 61 17.950 -6.497 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.139 -6.661 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.053 -5.149 -8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.681 -5.131 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.309 -7.739 -10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.971 -6.264 -10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.819 -7.031 -9.557 1.00 0.00 H new ATOM 991 N LYS A 62 16.157 -4.331 -6.727 1.00 0.00 N ATOM 992 CA LYS A 62 14.765 -3.959 -6.467 1.00 0.00 C ATOM 993 C LYS A 62 14.703 -2.911 -5.359 1.00 0.00 C ATOM 994 O LYS A 62 13.973 -1.922 -5.456 1.00 0.00 O ATOM 995 CB LYS A 62 13.946 -5.195 -6.062 1.00 0.00 C ATOM 996 CG LYS A 62 13.577 -6.122 -7.219 1.00 0.00 C ATOM 997 CD LYS A 62 12.456 -5.539 -8.077 1.00 0.00 C ATOM 998 CE LYS A 62 12.028 -6.503 -9.179 1.00 0.00 C ATOM 999 NZ LYS A 62 10.828 -6.015 -9.908 1.00 0.00 N ATOM 0 H LYS A 62 16.386 -5.293 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 62 14.341 -3.541 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.512 -5.764 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.030 -4.863 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.456 -6.297 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.267 -7.090 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.599 -5.305 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.789 -4.602 -8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.850 -6.638 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.816 -7.480 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.509 -6.743 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.067 -5.813 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.067 -5.147 -10.428 1.00 0.00 H new ATOM 1013 N ALA A 63 15.489 -3.136 -4.312 1.00 0.00 N ATOM 1014 CA ALA A 63 15.545 -2.236 -3.169 1.00 0.00 C ATOM 1015 C ALA A 63 15.995 -0.845 -3.593 1.00 0.00 C ATOM 1016 O ALA A 63 15.385 0.158 -3.219 1.00 0.00 O ATOM 1017 CB ALA A 63 16.487 -2.793 -2.111 1.00 0.00 C ATOM 0 H ALA A 63 16.104 -3.946 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 63 14.543 -2.156 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.522 -2.112 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.128 -3.768 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.487 -2.898 -2.533 1.00 0.00 H new ATOM 1023 N LYS A 64 17.065 -0.796 -4.380 1.00 0.00 N ATOM 1024 CA LYS A 64 17.609 0.468 -4.858 1.00 0.00 C ATOM 1025 C LYS A 64 16.598 1.181 -5.753 1.00 0.00 C ATOM 1026 O LYS A 64 16.492 2.408 -5.728 1.00 0.00 O ATOM 1027 CB LYS A 64 18.934 0.238 -5.603 1.00 0.00 C ATOM 1028 CG LYS A 64 19.597 1.516 -6.121 1.00 0.00 C ATOM 1029 CD LYS A 64 19.835 2.543 -5.011 1.00 0.00 C ATOM 1030 CE LYS A 64 20.788 2.028 -3.936 1.00 0.00 C ATOM 1031 NZ LYS A 64 22.159 1.788 -4.463 1.00 0.00 N ATOM 0 H LYS A 64 17.573 -1.620 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 64 17.810 1.106 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 64 19.628 -0.272 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 64 18.752 -0.430 -6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.549 1.264 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 64 18.969 1.960 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.242 3.456 -5.446 1.00 0.00 H new ATOM 0 HD3 LYS A 64 18.882 2.805 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.836 2.750 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.394 1.101 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.797 1.554 -3.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 22.138 0.998 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.501 2.645 -4.943 1.00 0.00 H new ATOM 1045 N ALA A 65 15.840 0.404 -6.524 1.00 0.00 N ATOM 1046 CA ALA A 65 14.802 0.957 -7.387 1.00 0.00 C ATOM 1047 C ALA A 65 13.766 1.712 -6.557 1.00 0.00 C ATOM 1048 O ALA A 65 13.478 2.881 -6.812 1.00 0.00 O ATOM 1049 CB ALA A 65 14.134 -0.149 -8.197 1.00 0.00 C ATOM 0 H ALA A 65 15.926 -0.611 -6.568 1.00 0.00 H new ATOM 0 HA ALA A 65 15.267 1.658 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.363 0.282 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.880 -0.648 -8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.682 -0.873 -7.520 1.00 0.00 H new ATOM 1055 N ILE A 66 13.225 1.032 -5.547 1.00 0.00 N ATOM 1056 CA ILE A 66 12.250 1.636 -4.643 1.00 0.00 C ATOM 1057 C ILE A 66 12.881 2.800 -3.880 1.00 0.00 C ATOM 1058 O ILE A 66 12.243 3.828 -3.645 1.00 0.00 O ATOM 1059 CB ILE A 66 11.698 0.596 -3.633 1.00 0.00 C ATOM 1060 CG1 ILE A 66 11.037 -0.573 -4.382 1.00 0.00 C ATOM 1061 CG2 ILE A 66 10.707 1.247 -2.665 1.00 0.00 C ATOM 1062 CD1 ILE A 66 10.500 -1.657 -3.471 1.00 0.00 C ATOM 0 H ILE A 66 13.447 0.059 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 66 11.423 2.004 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 66 12.532 0.208 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.220 -0.186 -4.992 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.764 -1.012 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.334 0.497 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.208 2.041 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.872 1.667 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.049 -2.447 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.316 -2.072 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.748 -1.233 -2.805 1.00 0.00 H new ATOM 1074 N TYR A 67 14.145 2.631 -3.513 1.00 0.00 N ATOM 1075 CA TYR A 67 14.878 3.647 -2.770 1.00 0.00 C ATOM 1076 C TYR A 67 14.890 4.971 -3.532 1.00 0.00 C ATOM 1077 O TYR A 67 14.423 5.992 -3.029 1.00 0.00 O ATOM 1078 CB TYR A 67 16.314 3.172 -2.487 1.00 0.00 C ATOM 1079 CG TYR A 67 17.181 4.216 -1.805 1.00 0.00 C ATOM 1080 CD1 TYR A 67 16.937 4.597 -0.491 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.232 4.828 -2.480 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.713 5.557 0.129 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.015 5.784 -1.863 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.751 6.147 -0.561 1.00 0.00 C ATOM 1085 OH TYR A 67 19.523 7.111 0.049 1.00 0.00 O ATOM 0 H TYR A 67 14.687 1.792 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 67 14.373 3.808 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.275 2.280 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 67 16.783 2.882 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.127 4.135 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.439 4.551 -3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.508 5.844 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.831 6.245 -2.399 1.00 0.00 H new ATOM 0 HH TYR A 67 19.220 7.999 -0.232 1.00 0.00 H new ATOM 1095 N GLU A 68 15.389 4.933 -4.761 1.00 0.00 N ATOM 1096 CA GLU A 68 15.557 6.140 -5.564 1.00 0.00 C ATOM 1097 C GLU A 68 14.210 6.704 -6.018 1.00 0.00 C ATOM 1098 O GLU A 68 14.058 7.918 -6.189 1.00 0.00 O ATOM 1099 CB GLU A 68 16.440 5.841 -6.781 1.00 0.00 C ATOM 1100 CG GLU A 68 17.812 5.282 -6.416 1.00 0.00 C ATOM 1101 CD GLU A 68 18.684 5.020 -7.632 1.00 0.00 C ATOM 1102 OE1 GLU A 68 18.524 3.962 -8.276 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.542 5.872 -7.948 1.00 0.00 O ATOM 0 H GLU A 68 15.686 4.075 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 68 16.041 6.893 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.926 5.128 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.571 6.756 -7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.321 5.983 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.685 4.354 -5.859 1.00 0.00 H new ATOM 1110 N LYS A 69 13.233 5.823 -6.199 1.00 0.00 N ATOM 1111 CA LYS A 69 11.942 6.211 -6.762 1.00 0.00 C ATOM 1112 C LYS A 69 10.944 6.614 -5.669 1.00 0.00 C ATOM 1113 O LYS A 69 9.959 7.300 -5.950 1.00 0.00 O ATOM 1114 CB LYS A 69 11.385 5.054 -7.609 1.00 0.00 C ATOM 1115 CG LYS A 69 10.183 5.424 -8.480 1.00 0.00 C ATOM 1116 CD LYS A 69 9.896 4.341 -9.520 1.00 0.00 C ATOM 1117 CE LYS A 69 8.831 4.766 -10.526 1.00 0.00 C ATOM 1118 NZ LYS A 69 7.478 4.863 -9.917 1.00 0.00 N ATOM 0 H LYS A 69 13.309 4.833 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 69 12.091 7.085 -7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.180 4.676 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.098 4.239 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.305 5.568 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.374 6.372 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.817 4.098 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.571 3.432 -9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.104 5.731 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.806 4.050 -11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.791 5.155 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.203 3.937 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.492 5.566 -9.150 1.00 0.00 H new ATOM 1132 N PHE A 70 11.202 6.204 -4.424 1.00 0.00 N ATOM 1133 CA PHE A 70 10.265 6.464 -3.322 1.00 0.00 C ATOM 1134 C PHE A 70 10.977 6.935 -2.048 1.00 0.00 C ATOM 1135 O PHE A 70 10.637 7.978 -1.489 1.00 0.00 O ATOM 1136 CB PHE A 70 9.451 5.199 -2.999 1.00 0.00 C ATOM 1137 CG PHE A 70 8.564 4.719 -4.127 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.316 5.289 -4.337 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.977 3.694 -4.969 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.499 4.849 -5.362 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.162 3.250 -5.994 1.00 0.00 C ATOM 1142 CZ PHE A 70 6.924 3.828 -6.191 1.00 0.00 C ATOM 0 H PHE A 70 12.043 5.695 -4.153 1.00 0.00 H new ATOM 0 HA PHE A 70 9.604 7.263 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.140 4.398 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.831 5.395 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.979 6.086 -3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.945 3.239 -4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.531 5.302 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.494 2.451 -6.640 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.288 3.483 -6.992 1.00 0.00 H new ATOM 1152 N ILE A 71 11.969 6.166 -1.600 1.00 0.00 N ATOM 1153 CA ILE A 71 12.548 6.347 -0.264 1.00 0.00 C ATOM 1154 C ILE A 71 13.426 7.601 -0.165 1.00 0.00 C ATOM 1155 O ILE A 71 13.618 8.138 0.929 1.00 0.00 O ATOM 1156 CB ILE A 71 13.367 5.100 0.166 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.501 3.833 0.075 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.925 5.266 1.582 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.266 3.863 0.956 1.00 0.00 C ATOM 0 H ILE A 71 12.390 5.411 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 71 11.706 6.477 0.416 1.00 0.00 H new ATOM 0 HB ILE A 71 14.210 4.998 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.192 3.690 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.108 2.970 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.494 4.377 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.577 6.139 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.102 5.400 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.709 2.934 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.565 3.973 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.635 4.704 0.669 1.00 0.00 H new ATOM 1171 N GLN A 72 13.958 8.066 -1.295 1.00 0.00 N ATOM 1172 CA GLN A 72 14.810 9.260 -1.302 1.00 0.00 C ATOM 1173 C GLN A 72 14.112 10.441 -0.635 1.00 0.00 C ATOM 1174 O GLN A 72 12.910 10.646 -0.811 1.00 0.00 O ATOM 1175 CB GLN A 72 15.218 9.654 -2.729 1.00 0.00 C ATOM 1176 CG GLN A 72 16.307 8.779 -3.333 1.00 0.00 C ATOM 1177 CD GLN A 72 17.668 8.938 -2.667 1.00 0.00 C ATOM 1178 OE1 GLN A 72 17.771 9.223 -1.473 1.00 0.00 O ATOM 1179 NE2 GLN A 72 18.727 8.752 -3.441 1.00 0.00 N ATOM 0 H GLN A 72 13.817 7.640 -2.211 1.00 0.00 H new ATOM 0 HA GLN A 72 15.707 9.008 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.338 9.613 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 72 15.561 10.689 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.000 7.735 -3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.402 9.015 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.604 8.517 -4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 72 19.665 8.844 -3.052 1.00 0.00 H new ATOM 1188 N THR A 73 14.880 11.201 0.136 1.00 0.00 N ATOM 1189 CA THR A 73 14.389 12.409 0.779 1.00 0.00 C ATOM 1190 C THR A 73 14.182 13.514 -0.264 1.00 0.00 C ATOM 1191 O THR A 73 14.936 14.491 -0.331 1.00 0.00 O ATOM 1192 CB THR A 73 15.375 12.861 1.876 1.00 0.00 C ATOM 1193 OG1 THR A 73 15.566 11.790 2.814 1.00 0.00 O ATOM 1194 CG2 THR A 73 14.878 14.101 2.618 1.00 0.00 C ATOM 0 H THR A 73 15.860 10.996 0.332 1.00 0.00 H new ATOM 0 HA THR A 73 13.428 12.200 1.249 1.00 0.00 H new ATOM 0 HB THR A 73 16.317 13.118 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.193 12.074 3.511 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.603 14.384 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.755 14.922 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.920 13.883 3.091 1.00 0.00 H new ATOM 1202 N ASP A 74 13.169 13.298 -1.099 1.00 0.00 N ATOM 1203 CA ASP A 74 12.796 14.185 -2.198 1.00 0.00 C ATOM 1204 C ASP A 74 11.750 13.458 -3.036 1.00 0.00 C ATOM 1205 O ASP A 74 10.558 13.732 -2.922 1.00 0.00 O ATOM 1206 CB ASP A 74 14.013 14.561 -3.065 1.00 0.00 C ATOM 1207 CG ASP A 74 13.663 15.527 -4.189 1.00 0.00 C ATOM 1208 OD1 ASP A 74 13.675 16.756 -3.953 1.00 0.00 O ATOM 1209 OD2 ASP A 74 13.390 15.062 -5.319 1.00 0.00 O ATOM 0 H ASP A 74 12.567 12.477 -1.028 1.00 0.00 H new ATOM 0 HA ASP A 74 12.397 15.117 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.779 15.010 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.443 13.655 -3.492 1.00 0.00 H new ATOM 1214 N ALA A 75 12.224 12.502 -3.844 1.00 0.00 N ATOM 1215 CA ALA A 75 11.372 11.545 -4.562 1.00 0.00 C ATOM 1216 C ALA A 75 10.378 12.214 -5.526 1.00 0.00 C ATOM 1217 O ALA A 75 9.921 13.331 -5.297 1.00 0.00 O ATOM 1218 CB ALA A 75 10.628 10.655 -3.565 1.00 0.00 C ATOM 0 H ALA A 75 13.220 12.369 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 75 12.036 10.939 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.999 9.949 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.349 10.107 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.005 11.274 -2.919 1.00 0.00 H new ATOM 1224 N PRO A 76 10.034 11.526 -6.634 1.00 0.00 N ATOM 1225 CA PRO A 76 8.997 11.994 -7.564 1.00 0.00 C ATOM 1226 C PRO A 76 7.608 11.963 -6.922 1.00 0.00 C ATOM 1227 O PRO A 76 6.679 12.630 -7.380 1.00 0.00 O ATOM 1228 CB PRO A 76 9.074 10.997 -8.740 1.00 0.00 C ATOM 1229 CG PRO A 76 10.381 10.292 -8.573 1.00 0.00 C ATOM 1230 CD PRO A 76 10.648 10.267 -7.093 1.00 0.00 C ATOM 0 HA PRO A 76 9.157 13.028 -7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.242 10.294 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.025 11.514 -9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.335 9.281 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 76 11.177 10.813 -9.105 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.197 9.398 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.715 10.233 -6.874 1.00 0.00 H new ATOM 1238 N LYS A 77 7.481 11.170 -5.859 1.00 0.00 N ATOM 1239 CA LYS A 77 6.215 11.018 -5.139 1.00 0.00 C ATOM 1240 C LYS A 77 6.244 11.770 -3.806 1.00 0.00 C ATOM 1241 O LYS A 77 5.194 12.077 -3.240 1.00 0.00 O ATOM 1242 CB LYS A 77 5.931 9.527 -4.890 1.00 0.00 C ATOM 1243 CG LYS A 77 5.789 8.674 -6.158 1.00 0.00 C ATOM 1244 CD LYS A 77 4.415 8.821 -6.827 1.00 0.00 C ATOM 1245 CE LYS A 77 4.264 10.125 -7.612 1.00 0.00 C ATOM 1246 NZ LYS A 77 2.860 10.346 -8.048 1.00 0.00 N ATOM 0 H LYS A 77 8.247 10.617 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 77 5.421 11.443 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.737 9.116 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.014 9.439 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.566 8.957 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.954 7.627 -5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.254 7.979 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.639 8.772 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.589 10.962 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.917 10.102 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.854 10.796 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.365 9.433 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.378 10.964 -7.365 1.00 0.00 H new ATOM 1260 N GLU A 78 7.456 12.068 -3.327 1.00 0.00 N ATOM 1261 CA GLU A 78 7.663 12.703 -2.021 1.00 0.00 C ATOM 1262 C GLU A 78 6.922 11.917 -0.929 1.00 0.00 C ATOM 1263 O GLU A 78 5.831 12.297 -0.493 1.00 0.00 O ATOM 1264 CB GLU A 78 7.215 14.180 -2.058 1.00 0.00 C ATOM 1265 CG GLU A 78 7.979 15.108 -1.109 1.00 0.00 C ATOM 1266 CD GLU A 78 7.714 14.837 0.365 1.00 0.00 C ATOM 1267 OE1 GLU A 78 6.763 15.433 0.919 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.469 14.052 0.981 1.00 0.00 O ATOM 0 H GLU A 78 8.321 11.876 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 78 8.727 12.689 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.326 14.553 -3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.154 14.229 -1.815 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.047 15.008 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.711 16.141 -1.332 1.00 0.00 H new ATOM 1275 N VAL A 79 7.513 10.799 -0.519 1.00 0.00 N ATOM 1276 CA VAL A 79 6.885 9.898 0.444 1.00 0.00 C ATOM 1277 C VAL A 79 7.161 10.351 1.876 1.00 0.00 C ATOM 1278 O VAL A 79 8.314 10.394 2.317 1.00 0.00 O ATOM 1279 CB VAL A 79 7.385 8.442 0.257 1.00 0.00 C ATOM 1280 CG1 VAL A 79 6.707 7.502 1.255 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.151 7.975 -1.180 1.00 0.00 C ATOM 0 H VAL A 79 8.431 10.493 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 79 5.811 9.927 0.262 1.00 0.00 H new ATOM 0 HB VAL A 79 8.457 8.420 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.073 6.486 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.936 7.824 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.628 7.525 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.508 6.951 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.086 8.015 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.692 8.626 -1.867 1.00 0.00 H new ATOM 1291 N ASN A 80 6.094 10.689 2.595 1.00 0.00 N ATOM 1292 CA ASN A 80 6.200 11.127 3.986 1.00 0.00 C ATOM 1293 C ASN A 80 6.347 9.920 4.914 1.00 0.00 C ATOM 1294 O ASN A 80 5.387 9.474 5.541 1.00 0.00 O ATOM 1295 CB ASN A 80 4.979 11.978 4.386 1.00 0.00 C ATOM 1296 CG ASN A 80 4.818 13.232 3.532 1.00 0.00 C ATOM 1297 OD1 ASN A 80 3.699 13.684 3.275 1.00 0.00 O ATOM 1298 ND2 ASN A 80 5.928 13.814 3.101 1.00 0.00 N ATOM 0 H ASN A 80 5.140 10.668 2.235 1.00 0.00 H new ATOM 0 HA ASN A 80 7.090 11.748 4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.078 11.371 4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.073 12.268 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.873 14.663 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.837 13.413 3.332 1.00 0.00 H new ATOM 1305 N LEU A 81 7.555 9.370 4.945 1.00 0.00 N ATOM 1306 CA LEU A 81 7.899 8.252 5.822 1.00 0.00 C ATOM 1307 C LEU A 81 8.866 8.722 6.909 1.00 0.00 C ATOM 1308 O LEU A 81 9.671 9.627 6.679 1.00 0.00 O ATOM 1309 CB LEU A 81 8.516 7.115 4.988 1.00 0.00 C ATOM 1310 CG LEU A 81 9.268 6.021 5.768 1.00 0.00 C ATOM 1311 CD1 LEU A 81 8.303 5.194 6.608 1.00 0.00 C ATOM 1312 CD2 LEU A 81 10.064 5.129 4.816 1.00 0.00 C ATOM 0 H LEU A 81 8.329 9.687 4.361 1.00 0.00 H new ATOM 0 HA LEU A 81 6.999 7.876 6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.719 6.640 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.205 7.556 4.268 1.00 0.00 H new ATOM 0 HG LEU A 81 9.971 6.508 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.857 4.428 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.791 5.843 7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.569 4.719 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.588 4.363 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.384 4.653 4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.789 5.734 4.271 1.00 0.00 H new ATOM 1324 N ASP A 82 8.771 8.107 8.091 1.00 0.00 N ATOM 1325 CA ASP A 82 9.603 8.470 9.244 1.00 0.00 C ATOM 1326 C ASP A 82 11.078 8.541 8.862 1.00 0.00 C ATOM 1327 O ASP A 82 11.624 7.595 8.284 1.00 0.00 O ATOM 1328 CB ASP A 82 9.436 7.448 10.377 1.00 0.00 C ATOM 1329 CG ASP A 82 7.982 7.145 10.689 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.350 6.426 9.888 1.00 0.00 O ATOM 1331 OD2 ASP A 82 7.480 7.597 11.738 1.00 0.00 O ATOM 0 H ASP A 82 8.118 7.346 8.277 1.00 0.00 H new ATOM 0 HA ASP A 82 9.273 9.452 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 82 9.944 6.523 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.924 7.826 11.275 1.00 0.00 H new ATOM 1336 N PHE A 83 11.714 9.659 9.206 1.00 0.00 N ATOM 1337 CA PHE A 83 13.129 9.885 8.908 1.00 0.00 C ATOM 1338 C PHE A 83 13.996 8.723 9.399 1.00 0.00 C ATOM 1339 O PHE A 83 14.890 8.265 8.688 1.00 0.00 O ATOM 1340 CB PHE A 83 13.601 11.212 9.533 1.00 0.00 C ATOM 1341 CG PHE A 83 13.414 11.290 11.032 1.00 0.00 C ATOM 1342 CD1 PHE A 83 12.183 11.634 11.578 1.00 0.00 C ATOM 1343 CD2 PHE A 83 14.467 11.012 11.896 1.00 0.00 C ATOM 1344 CE1 PHE A 83 12.008 11.701 12.947 1.00 0.00 C ATOM 1345 CE2 PHE A 83 14.293 11.076 13.265 1.00 0.00 C ATOM 1346 CZ PHE A 83 13.064 11.420 13.791 1.00 0.00 C ATOM 0 H PHE A 83 11.266 10.432 9.698 1.00 0.00 H new ATOM 0 HA PHE A 83 13.239 9.946 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.656 11.355 9.301 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.058 12.034 9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.352 11.852 10.923 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.432 10.743 11.492 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.046 11.973 13.356 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.120 10.857 13.925 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.929 11.469 14.861 1.00 0.00 H new ATOM 1356 N HIS A 84 13.713 8.234 10.604 1.00 0.00 N ATOM 1357 CA HIS A 84 14.497 7.147 11.190 1.00 0.00 C ATOM 1358 C HIS A 84 14.281 5.846 10.423 1.00 0.00 C ATOM 1359 O HIS A 84 15.222 5.088 10.202 1.00 0.00 O ATOM 1360 CB HIS A 84 14.150 6.951 12.673 1.00 0.00 C ATOM 1361 CG HIS A 84 14.944 5.857 13.332 1.00 0.00 C ATOM 1362 ND1 HIS A 84 16.186 6.062 13.894 1.00 0.00 N ATOM 1363 CD2 HIS A 84 14.667 4.540 13.514 1.00 0.00 C ATOM 1364 CE1 HIS A 84 16.639 4.923 14.385 1.00 0.00 C ATOM 1365 NE2 HIS A 84 15.736 3.988 14.169 1.00 0.00 N ATOM 0 H HIS A 84 12.951 8.570 11.192 1.00 0.00 H new ATOM 0 HA HIS A 84 15.549 7.423 11.117 1.00 0.00 H new ATOM 0 HB2 HIS A 84 14.322 7.886 13.206 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.088 6.724 12.763 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.771 4.024 13.201 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.589 4.782 14.880 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.820 3.010 14.445 1.00 0.00 H new ATOM 1374 N THR A 85 13.041 5.597 10.014 1.00 0.00 N ATOM 1375 CA THR A 85 12.706 4.378 9.285 1.00 0.00 C ATOM 1376 C THR A 85 13.435 4.339 7.940 1.00 0.00 C ATOM 1377 O THR A 85 14.039 3.326 7.575 1.00 0.00 O ATOM 1378 CB THR A 85 11.180 4.258 9.061 1.00 0.00 C ATOM 1379 OG1 THR A 85 10.495 4.362 10.321 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.821 2.932 8.394 1.00 0.00 C ATOM 0 H THR A 85 12.252 6.223 10.175 1.00 0.00 H new ATOM 0 HA THR A 85 13.030 3.532 9.891 1.00 0.00 H new ATOM 0 HB THR A 85 10.870 5.069 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.665 3.842 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.742 2.878 8.250 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.320 2.864 7.427 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.145 2.106 9.028 1.00 0.00 H new ATOM 1388 N LYS A 86 13.397 5.458 7.215 1.00 0.00 N ATOM 1389 CA LYS A 86 14.060 5.549 5.917 1.00 0.00 C ATOM 1390 C LYS A 86 15.579 5.601 6.103 1.00 0.00 C ATOM 1391 O LYS A 86 16.338 5.261 5.194 1.00 0.00 O ATOM 1392 CB LYS A 86 13.544 6.767 5.131 1.00 0.00 C ATOM 1393 CG LYS A 86 13.938 8.121 5.720 1.00 0.00 C ATOM 1394 CD LYS A 86 13.053 9.258 5.198 1.00 0.00 C ATOM 1395 CE LYS A 86 12.981 9.295 3.674 1.00 0.00 C ATOM 1396 NZ LYS A 86 14.315 9.489 3.049 1.00 0.00 N ATOM 0 H LYS A 86 12.916 6.310 7.504 1.00 0.00 H new ATOM 0 HA LYS A 86 13.824 4.659 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.918 6.708 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.457 6.713 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.867 8.077 6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.979 8.332 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.047 9.145 5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.439 10.210 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.544 8.365 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.317 10.101 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.278 9.192 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.580 10.493 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.022 8.917 3.554 1.00 0.00 H new ATOM 1410 N GLU A 87 16.011 6.008 7.298 1.00 0.00 N ATOM 1411 CA GLU A 87 17.429 6.005 7.656 1.00 0.00 C ATOM 1412 C GLU A 87 17.932 4.569 7.812 1.00 0.00 C ATOM 1413 O GLU A 87 18.988 4.208 7.288 1.00 0.00 O ATOM 1414 CB GLU A 87 17.656 6.795 8.952 1.00 0.00 C ATOM 1415 CG GLU A 87 19.104 6.813 9.429 1.00 0.00 C ATOM 1416 CD GLU A 87 19.294 7.664 10.673 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.950 7.195 11.778 1.00 0.00 O ATOM 1418 OE2 GLU A 87 19.774 8.812 10.548 1.00 0.00 O ATOM 0 H GLU A 87 15.395 6.345 8.037 1.00 0.00 H new ATOM 0 HA GLU A 87 17.991 6.486 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.322 7.822 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.032 6.369 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 87 19.428 5.793 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.742 7.193 8.631 1.00 0.00 H new ATOM 1425 N VAL A 88 17.168 3.747 8.528 1.00 0.00 N ATOM 1426 CA VAL A 88 17.490 2.327 8.662 1.00 0.00 C ATOM 1427 C VAL A 88 17.630 1.700 7.276 1.00 0.00 C ATOM 1428 O VAL A 88 18.492 0.847 7.042 1.00 0.00 O ATOM 1429 CB VAL A 88 16.405 1.564 9.471 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.721 0.069 9.545 1.00 0.00 C ATOM 1431 CG2 VAL A 88 16.264 2.151 10.873 1.00 0.00 C ATOM 0 H VAL A 88 16.325 4.038 9.023 1.00 0.00 H new ATOM 0 HA VAL A 88 18.431 2.248 9.206 1.00 0.00 H new ATOM 0 HB VAL A 88 15.455 1.683 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.945 -0.439 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.759 -0.345 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.685 -0.075 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.499 1.602 11.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 17.216 2.071 11.398 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.976 3.200 10.801 1.00 0.00 H new ATOM 1441 N ILE A 89 16.784 2.155 6.354 1.00 0.00 N ATOM 1442 CA ILE A 89 16.844 1.714 4.966 1.00 0.00 C ATOM 1443 C ILE A 89 18.174 2.122 4.325 1.00 0.00 C ATOM 1444 O ILE A 89 18.833 1.302 3.687 1.00 0.00 O ATOM 1445 CB ILE A 89 15.662 2.281 4.134 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.321 1.781 4.704 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.802 1.902 2.656 1.00 0.00 C ATOM 1448 CD1 ILE A 89 13.103 2.329 3.986 1.00 0.00 C ATOM 0 H ILE A 89 16.046 2.832 6.547 1.00 0.00 H new ATOM 0 HA ILE A 89 16.767 0.627 4.968 1.00 0.00 H new ATOM 0 HB ILE A 89 15.683 3.369 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.300 0.692 4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.262 2.053 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.962 2.311 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.734 2.309 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.810 0.816 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.199 1.930 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.097 3.417 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.136 2.035 2.937 1.00 0.00 H new ATOM 1460 N THR A 90 18.585 3.378 4.522 1.00 0.00 N ATOM 1461 CA THR A 90 19.833 3.873 3.939 1.00 0.00 C ATOM 1462 C THR A 90 21.039 3.126 4.506 1.00 0.00 C ATOM 1463 O THR A 90 22.100 3.066 3.883 1.00 0.00 O ATOM 1464 CB THR A 90 20.011 5.400 4.148 1.00 0.00 C ATOM 1465 OG1 THR A 90 19.983 5.735 5.544 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.921 6.179 3.423 1.00 0.00 C ATOM 0 H THR A 90 18.075 4.065 5.077 1.00 0.00 H new ATOM 0 HA THR A 90 19.772 3.687 2.867 1.00 0.00 H new ATOM 0 HB THR A 90 20.982 5.674 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.782 4.932 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.068 7.247 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.969 5.964 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.945 5.884 3.809 1.00 0.00 H new ATOM 1474 N ASN A 91 20.862 2.543 5.687 1.00 0.00 N ATOM 1475 CA ASN A 91 21.917 1.772 6.337 1.00 0.00 C ATOM 1476 C ASN A 91 21.910 0.328 5.839 1.00 0.00 C ATOM 1477 O ASN A 91 22.953 -0.324 5.765 1.00 0.00 O ATOM 1478 CB ASN A 91 21.731 1.801 7.859 1.00 0.00 C ATOM 1479 CG ASN A 91 21.774 3.211 8.422 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.494 4.072 7.918 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.998 3.460 9.464 1.00 0.00 N ATOM 0 H ASN A 91 19.992 2.590 6.217 1.00 0.00 H new ATOM 0 HA ASN A 91 22.877 2.223 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.777 1.340 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.511 1.201 8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.983 4.392 9.877 1.00 0.00 H new ATOM 0 HD22 ASN A 91 20.415 2.720 9.854 1.00 0.00 H new ATOM 1488 N SER A 92 20.724 -0.160 5.490 1.00 0.00 N ATOM 1489 CA SER A 92 20.550 -1.545 5.058 1.00 0.00 C ATOM 1490 C SER A 92 20.518 -1.656 3.531 1.00 0.00 C ATOM 1491 O SER A 92 20.436 -2.753 2.984 1.00 0.00 O ATOM 1492 CB SER A 92 19.257 -2.111 5.655 1.00 0.00 C ATOM 1493 OG SER A 92 19.244 -1.965 7.067 1.00 0.00 O ATOM 0 H SER A 92 19.863 0.386 5.498 1.00 0.00 H new ATOM 0 HA SER A 92 21.402 -2.123 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.398 -1.597 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.162 -3.165 5.394 1.00 0.00 H new ATOM 0 HG SER A 92 19.004 -1.044 7.298 1.00 0.00 H new ATOM 1499 N ILE A 93 20.610 -0.517 2.846 1.00 0.00 N ATOM 1500 CA ILE A 93 20.523 -0.483 1.383 1.00 0.00 C ATOM 1501 C ILE A 93 21.721 -1.194 0.738 1.00 0.00 C ATOM 1502 O ILE A 93 21.702 -1.524 -0.451 1.00 0.00 O ATOM 1503 CB ILE A 93 20.427 0.979 0.857 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.003 1.006 -0.625 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.753 1.714 1.050 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.634 0.407 -0.886 1.00 0.00 C ATOM 0 H ILE A 93 20.745 0.396 3.279 1.00 0.00 H new ATOM 0 HA ILE A 93 19.613 -1.013 1.102 1.00 0.00 H new ATOM 0 HB ILE A 93 19.662 1.494 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.009 2.038 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.743 0.465 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.662 2.733 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 93 22.005 1.738 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.540 1.195 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.409 0.464 -1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.627 -0.636 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.881 0.962 -0.326 1.00 0.00 H new ATOM 1518 N THR A 94 22.759 -1.436 1.533 1.00 0.00 N ATOM 1519 CA THR A 94 23.951 -2.134 1.059 1.00 0.00 C ATOM 1520 C THR A 94 23.808 -3.650 1.245 1.00 0.00 C ATOM 1521 O THR A 94 24.649 -4.426 0.784 1.00 0.00 O ATOM 1522 CB THR A 94 25.219 -1.629 1.792 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.384 -2.330 1.333 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.083 -1.791 3.303 1.00 0.00 C ATOM 0 H THR A 94 22.799 -1.158 2.513 1.00 0.00 H new ATOM 0 HA THR A 94 24.056 -1.921 -0.005 1.00 0.00 H new ATOM 0 HB THR A 94 25.329 -0.569 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.125 -3.218 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.988 -1.428 3.791 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.226 -1.217 3.655 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.938 -2.844 3.544 1.00 0.00 H new ATOM 1532 N GLN A 95 22.732 -4.065 1.916 1.00 0.00 N ATOM 1533 CA GLN A 95 22.474 -5.481 2.186 1.00 0.00 C ATOM 1534 C GLN A 95 20.993 -5.702 2.529 1.00 0.00 C ATOM 1535 O GLN A 95 20.660 -6.243 3.587 1.00 0.00 O ATOM 1536 CB GLN A 95 23.384 -5.970 3.327 1.00 0.00 C ATOM 1537 CG GLN A 95 23.268 -5.152 4.612 1.00 0.00 C ATOM 1538 CD GLN A 95 24.273 -5.571 5.672 1.00 0.00 C ATOM 1539 OE1 GLN A 95 24.689 -6.731 5.739 1.00 0.00 O ATOM 1540 NE2 GLN A 95 24.674 -4.628 6.509 1.00 0.00 N ATOM 0 H GLN A 95 22.020 -3.435 2.285 1.00 0.00 H new ATOM 0 HA GLN A 95 22.700 -6.061 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.144 -7.010 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.419 -5.947 2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 95 23.411 -4.097 4.379 1.00 0.00 H new ATOM 0 HG3 GLN A 95 22.260 -5.256 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 95 24.308 -3.680 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 95 25.349 -4.849 7.241 1.00 0.00 H new ATOM 1549 N PRO A 96 20.078 -5.299 1.620 1.00 0.00 N ATOM 1550 CA PRO A 96 18.631 -5.342 1.874 1.00 0.00 C ATOM 1551 C PRO A 96 18.117 -6.765 2.089 1.00 0.00 C ATOM 1552 O PRO A 96 18.470 -7.685 1.347 1.00 0.00 O ATOM 1553 CB PRO A 96 18.012 -4.725 0.603 1.00 0.00 C ATOM 1554 CG PRO A 96 19.136 -4.011 -0.068 1.00 0.00 C ATOM 1555 CD PRO A 96 20.371 -4.793 0.268 1.00 0.00 C ATOM 0 HA PRO A 96 18.368 -4.807 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.591 -5.494 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.202 -4.040 0.852 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.983 -3.965 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.215 -2.983 0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.541 -5.604 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.263 -4.166 0.255 1.00 0.00 H new ATOM 1563 N THR A 97 17.296 -6.935 3.119 1.00 0.00 N ATOM 1564 CA THR A 97 16.661 -8.213 3.413 1.00 0.00 C ATOM 1565 C THR A 97 15.304 -8.310 2.710 1.00 0.00 C ATOM 1566 O THR A 97 14.790 -7.310 2.198 1.00 0.00 O ATOM 1567 CB THR A 97 16.473 -8.392 4.937 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.726 -7.287 5.465 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.818 -8.483 5.653 1.00 0.00 C ATOM 0 H THR A 97 17.052 -6.191 3.773 1.00 0.00 H new ATOM 0 HA THR A 97 17.311 -9.006 3.044 1.00 0.00 H new ATOM 0 HB THR A 97 15.930 -9.322 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.607 -7.404 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.653 -8.608 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 97 18.377 -9.336 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.386 -7.569 5.478 1.00 0.00 H new ATOM 1577 N LEU A 98 14.724 -9.510 2.706 1.00 0.00 N ATOM 1578 CA LEU A 98 13.452 -9.764 2.027 1.00 0.00 C ATOM 1579 C LEU A 98 12.360 -8.808 2.522 1.00 0.00 C ATOM 1580 O LEU A 98 11.633 -8.213 1.729 1.00 0.00 O ATOM 1581 CB LEU A 98 13.021 -11.224 2.247 1.00 0.00 C ATOM 1582 CG LEU A 98 11.797 -11.682 1.433 1.00 0.00 C ATOM 1583 CD1 LEU A 98 12.096 -11.643 -0.065 1.00 0.00 C ATOM 1584 CD2 LEU A 98 11.357 -13.085 1.857 1.00 0.00 C ATOM 0 H LEU A 98 15.119 -10.328 3.170 1.00 0.00 H new ATOM 0 HA LEU A 98 13.594 -9.589 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.862 -11.874 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.805 -11.366 3.306 1.00 0.00 H new ATOM 0 HG LEU A 98 10.979 -10.991 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.217 -11.971 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 98 12.352 -10.625 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 98 12.933 -12.306 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.491 -13.388 1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.173 -13.788 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.093 -13.080 2.915 1.00 0.00 H new ATOM 1596 N HIS A 99 12.250 -8.662 3.840 1.00 0.00 N ATOM 1597 CA HIS A 99 11.268 -7.755 4.440 1.00 0.00 C ATOM 1598 C HIS A 99 11.964 -6.535 5.041 1.00 0.00 C ATOM 1599 O HIS A 99 11.544 -6.015 6.072 1.00 0.00 O ATOM 1600 CB HIS A 99 10.428 -8.487 5.508 1.00 0.00 C ATOM 1601 CG HIS A 99 9.341 -9.352 4.932 1.00 0.00 C ATOM 1602 ND1 HIS A 99 8.024 -8.940 4.821 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.386 -10.595 4.399 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.315 -9.892 4.239 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.116 -10.908 3.977 1.00 0.00 N ATOM 0 H HIS A 99 12.829 -9.160 4.516 1.00 0.00 H new ATOM 0 HA HIS A 99 10.593 -7.413 3.655 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.088 -9.105 6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.979 -7.749 6.173 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.658 -8.042 5.139 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.259 -11.225 4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.259 -9.846 4.016 1.00 0.00 H new ATOM 1614 N SER A 100 13.012 -6.064 4.372 1.00 0.00 N ATOM 1615 CA SER A 100 13.744 -4.880 4.821 1.00 0.00 C ATOM 1616 C SER A 100 12.811 -3.667 4.892 1.00 0.00 C ATOM 1617 O SER A 100 12.757 -2.964 5.904 1.00 0.00 O ATOM 1618 CB SER A 100 14.915 -4.594 3.870 1.00 0.00 C ATOM 1619 OG SER A 100 15.779 -3.596 4.391 1.00 0.00 O ATOM 0 H SER A 100 13.375 -6.483 3.516 1.00 0.00 H new ATOM 0 HA SER A 100 14.137 -5.071 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.479 -5.511 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.529 -4.273 2.903 1.00 0.00 H new ATOM 0 HG SER A 100 16.514 -3.439 3.762 1.00 0.00 H new ATOM 1625 N PHE A 101 12.057 -3.453 3.815 1.00 0.00 N ATOM 1626 CA PHE A 101 11.148 -2.310 3.712 1.00 0.00 C ATOM 1627 C PHE A 101 9.840 -2.563 4.459 1.00 0.00 C ATOM 1628 O PHE A 101 8.980 -1.687 4.511 1.00 0.00 O ATOM 1629 CB PHE A 101 10.848 -1.996 2.240 1.00 0.00 C ATOM 1630 CG PHE A 101 12.054 -1.548 1.454 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.946 -2.475 0.934 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.297 -0.198 1.238 1.00 0.00 C ATOM 1633 CE1 PHE A 101 14.051 -2.064 0.216 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.400 0.215 0.520 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.278 -0.719 0.008 1.00 0.00 C ATOM 0 H PHE A 101 12.057 -4.060 2.995 1.00 0.00 H new ATOM 0 HA PHE A 101 11.644 -1.456 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.428 -2.884 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.086 -1.218 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.774 -3.529 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.614 0.537 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 101 14.738 -2.795 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.576 1.268 0.359 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.142 -0.397 -0.555 1.00 0.00 H new ATOM 1645 N ASP A 102 9.705 -3.753 5.047 1.00 0.00 N ATOM 1646 CA ASP A 102 8.472 -4.146 5.738 1.00 0.00 C ATOM 1647 C ASP A 102 8.075 -3.093 6.769 1.00 0.00 C ATOM 1648 O ASP A 102 6.904 -2.724 6.881 1.00 0.00 O ATOM 1649 CB ASP A 102 8.658 -5.506 6.421 1.00 0.00 C ATOM 1650 CG ASP A 102 7.390 -6.022 7.083 1.00 0.00 C ATOM 1651 OD1 ASP A 102 7.143 -5.677 8.256 1.00 0.00 O ATOM 1652 OD2 ASP A 102 6.648 -6.791 6.430 1.00 0.00 O ATOM 0 H ASP A 102 10.436 -4.464 5.059 1.00 0.00 H new ATOM 0 HA ASP A 102 7.675 -4.226 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.996 -6.233 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.444 -5.424 7.171 1.00 0.00 H new ATOM 1657 N ALA A 103 9.072 -2.602 7.503 1.00 0.00 N ATOM 1658 CA ALA A 103 8.863 -1.539 8.480 1.00 0.00 C ATOM 1659 C ALA A 103 8.252 -0.309 7.809 1.00 0.00 C ATOM 1660 O ALA A 103 7.224 0.208 8.249 1.00 0.00 O ATOM 1661 CB ALA A 103 10.181 -1.180 9.159 1.00 0.00 C ATOM 0 H ALA A 103 10.037 -2.927 7.438 1.00 0.00 H new ATOM 0 HA ALA A 103 8.167 -1.895 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.011 -0.386 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.579 -2.058 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.895 -0.840 8.410 1.00 0.00 H new ATOM 1667 N ALA A 104 8.881 0.130 6.720 1.00 0.00 N ATOM 1668 CA ALA A 104 8.429 1.304 5.974 1.00 0.00 C ATOM 1669 C ALA A 104 7.005 1.109 5.458 1.00 0.00 C ATOM 1670 O ALA A 104 6.184 2.030 5.494 1.00 0.00 O ATOM 1671 CB ALA A 104 9.382 1.589 4.817 1.00 0.00 C ATOM 0 H ALA A 104 9.713 -0.314 6.332 1.00 0.00 H new ATOM 0 HA ALA A 104 8.428 2.160 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.036 2.465 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.382 1.777 5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.409 0.729 4.148 1.00 0.00 H new ATOM 1677 N GLN A 105 6.721 -0.104 4.992 1.00 0.00 N ATOM 1678 CA GLN A 105 5.397 -0.454 4.492 1.00 0.00 C ATOM 1679 C GLN A 105 4.363 -0.289 5.600 1.00 0.00 C ATOM 1680 O GLN A 105 3.290 0.267 5.380 1.00 0.00 O ATOM 1681 CB GLN A 105 5.384 -1.899 3.970 1.00 0.00 C ATOM 1682 CG GLN A 105 6.378 -2.161 2.842 1.00 0.00 C ATOM 1683 CD GLN A 105 6.361 -3.603 2.353 1.00 0.00 C ATOM 1684 OE1 GLN A 105 7.386 -4.143 1.928 1.00 0.00 O ATOM 1685 NE2 GLN A 105 5.196 -4.233 2.391 1.00 0.00 N ATOM 0 H GLN A 105 7.397 -0.866 4.951 1.00 0.00 H new ATOM 0 HA GLN A 105 5.147 0.214 3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.602 -2.575 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.380 -2.138 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.153 -1.498 2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.382 -1.912 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.369 -3.755 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.126 -5.196 2.062 1.00 0.00 H new ATOM 1694 N SER A 106 4.713 -0.760 6.795 1.00 0.00 N ATOM 1695 CA SER A 106 3.828 -0.679 7.952 1.00 0.00 C ATOM 1696 C SER A 106 3.534 0.781 8.304 1.00 0.00 C ATOM 1697 O SER A 106 2.412 1.124 8.686 1.00 0.00 O ATOM 1698 CB SER A 106 4.460 -1.405 9.150 1.00 0.00 C ATOM 1699 OG SER A 106 3.569 -1.461 10.256 1.00 0.00 O ATOM 0 H SER A 106 5.611 -1.205 6.987 1.00 0.00 H new ATOM 0 HA SER A 106 2.885 -1.166 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.741 -2.416 8.857 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.376 -0.893 9.445 1.00 0.00 H new ATOM 0 HG SER A 106 4.001 -1.930 11.000 1.00 0.00 H new ATOM 1705 N ARG A 107 4.545 1.641 8.159 1.00 0.00 N ATOM 1706 CA ARG A 107 4.396 3.066 8.459 1.00 0.00 C ATOM 1707 C ARG A 107 3.407 3.706 7.485 1.00 0.00 C ATOM 1708 O ARG A 107 2.357 4.202 7.890 1.00 0.00 O ATOM 1709 CB ARG A 107 5.754 3.776 8.397 1.00 0.00 C ATOM 1710 CG ARG A 107 6.846 3.088 9.216 1.00 0.00 C ATOM 1711 CD ARG A 107 6.473 2.939 10.689 1.00 0.00 C ATOM 1712 NE ARG A 107 6.507 4.215 11.404 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.556 4.327 12.733 1.00 0.00 C ATOM 1714 NH1 ARG A 107 6.505 3.244 13.498 1.00 0.00 N ATOM 1715 NH2 ARG A 107 6.657 5.523 13.294 1.00 0.00 N ATOM 0 H ARG A 107 5.475 1.375 7.836 1.00 0.00 H new ATOM 0 HA ARG A 107 4.006 3.171 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.075 3.836 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.635 4.799 8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 107 7.044 2.103 8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.770 3.661 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.475 2.508 10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.160 2.240 11.166 1.00 0.00 H new ATOM 0 HE ARG A 107 6.492 5.073 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 107 6.428 2.321 13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.543 3.335 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.697 6.358 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.694 5.608 14.310 1.00 0.00 H new ATOM 1729 N VAL A 108 3.734 3.651 6.197 1.00 0.00 N ATOM 1730 CA VAL A 108 2.873 4.202 5.149 1.00 0.00 C ATOM 1731 C VAL A 108 1.451 3.637 5.257 1.00 0.00 C ATOM 1732 O VAL A 108 0.456 4.358 5.096 1.00 0.00 O ATOM 1733 CB VAL A 108 3.452 3.888 3.746 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.454 4.241 2.643 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.776 4.626 3.543 1.00 0.00 C ATOM 0 H VAL A 108 4.595 3.228 5.850 1.00 0.00 H new ATOM 0 HA VAL A 108 2.833 5.283 5.285 1.00 0.00 H new ATOM 0 HB VAL A 108 3.640 2.816 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.889 4.009 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.541 3.661 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.219 5.304 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.172 4.397 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.611 5.700 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.490 4.308 4.302 1.00 0.00 H new ATOM 1745 N TYR A 109 1.379 2.342 5.546 1.00 0.00 N ATOM 1746 CA TYR A 109 0.109 1.640 5.684 1.00 0.00 C ATOM 1747 C TYR A 109 -0.736 2.236 6.811 1.00 0.00 C ATOM 1748 O TYR A 109 -1.897 2.583 6.598 1.00 0.00 O ATOM 1749 CB TYR A 109 0.366 0.142 5.925 1.00 0.00 C ATOM 1750 CG TYR A 109 -0.845 -0.645 6.399 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.710 -1.252 5.494 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.117 -0.784 7.757 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.808 -1.968 5.929 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.211 -1.497 8.196 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.053 -2.086 7.281 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.150 -2.789 7.722 1.00 0.00 O ATOM 0 H TYR A 109 2.198 1.751 5.691 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.454 1.758 4.758 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.731 -0.303 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 109 1.161 0.038 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.520 -1.162 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.459 -0.325 8.479 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.471 -2.433 5.214 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -2.407 -1.593 9.254 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.573 -2.305 8.462 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.149 2.371 8.003 1.00 0.00 N ATOM 1767 CA GLN A 110 -0.899 2.833 9.174 1.00 0.00 C ATOM 1768 C GLN A 110 -1.436 4.247 8.943 1.00 0.00 C ATOM 1769 O GLN A 110 -2.478 4.619 9.492 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.038 2.757 10.454 1.00 0.00 C ATOM 1771 CG GLN A 110 1.027 3.849 10.597 1.00 0.00 C ATOM 1772 CD GLN A 110 0.591 4.994 11.506 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.010 6.025 10.936 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 0.806 4.953 12.717 1.00 0.00 N flip ATOM 0 H GLN A 110 0.835 2.169 8.182 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.751 2.169 9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -0.699 2.803 11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.456 1.786 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.941 3.407 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 110 1.266 4.247 9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.272 4.143 13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.518 5.729 13.313 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.721 5.024 8.121 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.174 6.360 7.731 1.00 0.00 C ATOM 1785 C LEU A 111 -2.513 6.274 7.002 1.00 0.00 C ATOM 1786 O LEU A 111 -3.548 6.684 7.532 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.129 7.067 6.838 1.00 0.00 C ATOM 1788 CG LEU A 111 0.933 7.911 7.573 1.00 0.00 C ATOM 1789 CD1 LEU A 111 1.791 7.052 8.492 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.805 8.665 6.570 1.00 0.00 C ATOM 0 H LEU A 111 0.173 4.749 7.714 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.299 6.949 8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.385 6.310 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.658 7.714 6.138 1.00 0.00 H new ATOM 0 HG LEU A 111 0.409 8.637 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.528 7.679 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.157 6.571 9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.303 6.290 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.549 9.255 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.309 7.952 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.180 9.327 5.970 1.00 0.00 H new ATOM 1802 N MET A 112 -2.498 5.697 5.802 1.00 0.00 N ATOM 1803 CA MET A 112 -3.698 5.652 4.968 1.00 0.00 C ATOM 1804 C MET A 112 -4.757 4.727 5.562 1.00 0.00 C ATOM 1805 O MET A 112 -5.911 4.747 5.137 1.00 0.00 O ATOM 1806 CB MET A 112 -3.360 5.254 3.523 1.00 0.00 C ATOM 1807 CG MET A 112 -2.630 3.928 3.365 1.00 0.00 C ATOM 1808 SD MET A 112 -3.653 2.503 3.769 1.00 0.00 S ATOM 1809 CE MET A 112 -2.626 1.182 3.137 1.00 0.00 C ATOM 0 H MET A 112 -1.676 5.258 5.388 1.00 0.00 H new ATOM 0 HA MET A 112 -4.116 6.658 4.945 1.00 0.00 H new ATOM 0 HB2 MET A 112 -4.286 5.210 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.749 6.041 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.278 3.835 2.338 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.748 3.927 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 112 -3.199 0.255 3.112 1.00 0.00 H new ATOM 0 HE2 MET A 112 -2.294 1.430 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 112 -1.758 1.055 3.784 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.371 3.930 6.550 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.333 3.127 7.290 1.00 0.00 C ATOM 1821 C GLU A 113 -6.291 4.047 8.047 1.00 0.00 C ATOM 1822 O GLU A 113 -7.485 4.108 7.742 1.00 0.00 O ATOM 1823 CB GLU A 113 -4.615 2.174 8.259 1.00 0.00 C ATOM 1824 CG GLU A 113 -5.560 1.323 9.105 1.00 0.00 C ATOM 1825 CD GLU A 113 -4.823 0.379 10.043 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -4.172 0.866 10.991 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -4.897 -0.853 9.840 1.00 0.00 O ATOM 0 H GLU A 113 -3.404 3.823 6.856 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.904 2.520 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -3.962 1.515 7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.977 2.759 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.206 1.978 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.206 0.742 8.447 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.746 4.811 8.991 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.557 5.672 9.851 1.00 0.00 C ATOM 1836 C GLN A 114 -7.172 6.831 9.063 1.00 0.00 C ATOM 1837 O GLN A 114 -8.155 7.435 9.501 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.718 6.209 11.023 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.548 7.098 10.606 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.701 7.545 11.788 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -4.192 7.677 12.907 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.426 7.803 11.544 1.00 0.00 N ATOM 0 H GLN A 114 -4.745 4.852 9.181 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.372 5.068 10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.368 6.774 11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.332 5.365 11.594 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.920 6.557 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.931 7.976 10.086 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.052 7.682 10.603 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.817 8.123 12.297 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.588 7.148 7.909 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.080 8.248 7.079 1.00 0.00 C ATOM 1853 C ASP A 115 -8.032 7.750 5.992 1.00 0.00 C ATOM 1854 O ASP A 115 -9.214 8.101 5.980 1.00 0.00 O ATOM 1855 CB ASP A 115 -5.912 9.016 6.432 1.00 0.00 C ATOM 1856 CG ASP A 115 -5.077 9.799 7.438 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -5.650 10.623 8.183 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -3.844 9.602 7.484 1.00 0.00 O ATOM 0 H ASP A 115 -5.777 6.661 7.528 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.629 8.922 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.268 8.310 5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.308 9.704 5.685 1.00 0.00 H new ATOM 1863 N SER A 116 -7.518 6.923 5.090 1.00 0.00 N ATOM 1864 CA SER A 116 -8.253 6.531 3.890 1.00 0.00 C ATOM 1865 C SER A 116 -9.173 5.324 4.126 1.00 0.00 C ATOM 1866 O SER A 116 -10.275 5.276 3.579 1.00 0.00 O ATOM 1867 CB SER A 116 -7.263 6.231 2.759 1.00 0.00 C ATOM 1868 OG SER A 116 -6.402 7.337 2.535 1.00 0.00 O ATOM 0 H SER A 116 -6.589 6.508 5.166 1.00 0.00 H new ATOM 0 HA SER A 116 -8.897 7.366 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.673 5.350 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.809 5.998 1.845 1.00 0.00 H new ATOM 0 HG SER A 116 -6.831 7.966 1.918 1.00 0.00 H new ATOM 1874 N TYR A 117 -8.738 4.355 4.939 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.526 3.132 5.143 1.00 0.00 C ATOM 1876 C TYR A 117 -10.859 3.453 5.819 1.00 0.00 C ATOM 1877 O TYR A 117 -11.889 2.857 5.496 1.00 0.00 O ATOM 1878 CB TYR A 117 -8.745 2.089 5.957 1.00 0.00 C ATOM 1879 CG TYR A 117 -9.547 0.840 6.293 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.174 0.097 5.293 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -9.676 0.404 7.608 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -10.904 -1.037 5.598 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.403 -0.729 7.918 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.016 -1.446 6.910 1.00 0.00 C ATOM 1885 OH TYR A 117 -11.746 -2.574 7.219 1.00 0.00 O ATOM 0 H TYR A 117 -7.861 4.390 5.459 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.729 2.704 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.856 1.798 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.402 2.549 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.088 0.413 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.199 0.961 8.401 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.385 -1.600 4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -10.491 -1.053 8.945 1.00 0.00 H new ATOM 0 HH TYR A 117 -11.878 -3.110 6.409 1.00 0.00 H new ATOM 1895 N THR A 118 -10.835 4.404 6.747 1.00 0.00 N ATOM 1896 CA THR A 118 -12.055 4.876 7.391 1.00 0.00 C ATOM 1897 C THR A 118 -13.012 5.437 6.337 1.00 0.00 C ATOM 1898 O THR A 118 -14.207 5.114 6.310 1.00 0.00 O ATOM 1899 CB THR A 118 -11.731 5.957 8.449 1.00 0.00 C ATOM 1900 OG1 THR A 118 -10.882 6.959 7.869 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.044 5.347 9.667 1.00 0.00 C ATOM 0 H THR A 118 -9.983 4.863 7.070 1.00 0.00 H new ATOM 0 HA THR A 118 -12.531 4.036 7.897 1.00 0.00 H new ATOM 0 HB THR A 118 -12.668 6.408 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.065 7.045 8.403 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.828 6.130 10.394 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.699 4.603 10.120 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.113 4.871 9.359 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.461 6.258 5.447 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.220 6.825 4.340 1.00 0.00 C ATOM 1911 C ARG A 119 -13.760 5.718 3.441 1.00 0.00 C ATOM 1912 O ARG A 119 -14.889 5.795 2.965 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.345 7.793 3.532 1.00 0.00 C ATOM 1914 CG ARG A 119 -11.940 9.040 4.311 1.00 0.00 C ATOM 1915 CD ARG A 119 -13.157 9.871 4.705 1.00 0.00 C ATOM 1916 NE ARG A 119 -12.807 10.999 5.570 1.00 0.00 N ATOM 1917 CZ ARG A 119 -13.528 12.121 5.664 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -14.612 12.281 4.911 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -13.163 13.078 6.510 1.00 0.00 N ATOM 0 H ARG A 119 -11.483 6.546 5.473 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.065 7.380 4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.446 7.271 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.884 8.094 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.391 8.749 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -11.265 9.645 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -13.645 10.245 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.878 9.234 5.217 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.961 10.924 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.894 11.547 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -15.161 13.137 4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.332 12.957 7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.714 13.934 6.581 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.957 4.678 3.234 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.369 3.542 2.416 1.00 0.00 C ATOM 1935 C PHE A 120 -14.598 2.868 3.020 1.00 0.00 C ATOM 1936 O PHE A 120 -15.525 2.498 2.303 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.224 2.527 2.273 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.577 1.331 1.418 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.562 1.422 0.032 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -12.929 0.118 1.999 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -12.889 0.331 -0.753 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.255 -0.974 1.217 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.236 -0.867 -0.159 1.00 0.00 C ATOM 0 H PHE A 120 -12.017 4.599 3.622 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.624 3.914 1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.357 3.028 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.931 2.181 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.292 2.356 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -12.948 0.028 3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -12.873 0.416 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.524 -1.911 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.492 -1.719 -0.771 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.611 2.733 4.341 1.00 0.00 N ATOM 1954 CA LEU A 121 -15.721 2.083 5.037 1.00 0.00 C ATOM 1955 C LEU A 121 -16.991 2.935 4.976 1.00 0.00 C ATOM 1956 O LEU A 121 -18.099 2.421 5.139 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.345 1.795 6.496 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.222 0.765 6.697 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -13.917 0.586 8.182 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -14.597 -0.570 6.052 1.00 0.00 C ATOM 0 H LEU A 121 -13.866 3.064 4.954 1.00 0.00 H new ATOM 0 HA LEU A 121 -15.923 1.139 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.045 2.731 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.234 1.445 7.020 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.321 1.137 6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.119 -0.147 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -13.602 1.539 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -14.812 0.238 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -13.790 -1.287 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -15.511 -0.950 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -14.757 -0.426 4.984 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.829 4.240 4.763 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.974 5.151 4.655 1.00 0.00 C ATOM 1974 C LYS A 122 -18.074 5.768 3.256 1.00 0.00 C ATOM 1975 O LYS A 122 -18.795 6.745 3.052 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.867 6.258 5.717 1.00 0.00 C ATOM 1977 CG LYS A 122 -17.998 5.769 7.168 1.00 0.00 C ATOM 1978 CD LYS A 122 -19.456 5.555 7.605 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.102 4.319 6.978 1.00 0.00 C ATOM 1980 NZ LYS A 122 -19.429 3.060 7.398 1.00 0.00 N ATOM 0 H LYS A 122 -15.920 4.692 4.662 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.881 4.571 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.907 6.761 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -18.641 7.001 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.451 4.833 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.529 6.494 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.493 5.464 8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.040 6.436 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.154 4.278 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.066 4.404 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.901 2.664 6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.772 3.261 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -20.143 2.374 7.715 1.00 0.00 H new ATOM 1994 N SER A 123 -17.358 5.192 2.295 1.00 0.00 N ATOM 1995 CA SER A 123 -17.362 5.704 0.927 1.00 0.00 C ATOM 1996 C SER A 123 -18.666 5.352 0.211 1.00 0.00 C ATOM 1997 O SER A 123 -19.248 4.287 0.439 1.00 0.00 O ATOM 1998 CB SER A 123 -16.175 5.141 0.141 1.00 0.00 C ATOM 1999 OG SER A 123 -16.296 3.741 -0.046 1.00 0.00 O ATOM 0 H SER A 123 -16.768 4.372 2.437 1.00 0.00 H new ATOM 0 HA SER A 123 -17.276 6.789 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.111 5.635 -0.829 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.248 5.360 0.672 1.00 0.00 H new ATOM 0 HG SER A 123 -15.922 3.274 0.730 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.112 6.253 -0.661 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.307 6.030 -1.475 1.00 0.00 C ATOM 2007 C ASP A 124 -20.178 4.744 -2.286 1.00 0.00 C ATOM 2008 O ASP A 124 -21.158 4.019 -2.480 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.541 7.213 -2.424 1.00 0.00 C ATOM 2010 CG ASP A 124 -20.794 8.513 -1.684 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -19.821 9.118 -1.191 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -21.967 8.938 -1.593 1.00 0.00 O ATOM 0 H ASP A 124 -18.660 7.153 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.158 5.938 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -19.673 7.331 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -21.393 6.994 -3.068 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.959 4.467 -2.755 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.694 3.275 -3.554 1.00 0.00 C ATOM 2019 C ILE A 125 -18.869 2.011 -2.708 1.00 0.00 C ATOM 2020 O ILE A 125 -19.444 1.026 -3.170 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.276 3.305 -4.201 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.049 2.064 -5.086 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.181 3.417 -3.141 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -18.010 1.957 -6.255 1.00 0.00 C ATOM 0 H ILE A 125 -18.141 5.055 -2.593 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.421 3.263 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 125 -17.222 4.192 -4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -16.028 2.085 -5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -17.141 1.169 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.205 3.435 -3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.320 4.335 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.236 2.560 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -17.786 1.058 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -19.033 1.903 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -17.903 2.833 -6.895 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.404 2.050 -1.458 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.581 0.922 -0.545 1.00 0.00 C ATOM 2038 C TYR A 126 -20.070 0.701 -0.287 1.00 0.00 C ATOM 2039 O TYR A 126 -20.557 -0.431 -0.292 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.840 1.171 0.776 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.920 0.013 1.757 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.170 -1.142 1.558 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.742 0.073 2.879 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.237 -2.199 2.445 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.812 -0.981 3.771 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.060 -2.113 3.549 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.130 -3.166 4.433 1.00 0.00 O ATOM 0 H TYR A 126 -17.906 2.845 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.160 0.027 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.792 1.379 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.251 2.063 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.524 -1.213 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.335 0.958 3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.648 -3.088 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.453 -0.917 4.638 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.470 -3.846 4.184 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.789 1.800 -0.083 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.237 1.752 0.104 1.00 0.00 C ATOM 2059 C LEU A 127 -22.918 1.242 -1.168 1.00 0.00 C ATOM 2060 O LEU A 127 -23.982 0.619 -1.114 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.774 3.142 0.481 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.201 3.735 1.779 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.753 5.138 2.025 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.492 2.819 2.969 1.00 0.00 C ATOM 0 H LEU A 127 -20.392 2.739 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.462 1.063 0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.563 3.830 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.858 3.082 0.576 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.119 3.812 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -22.334 5.537 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -22.481 5.787 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.839 5.092 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -22.078 3.258 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.570 2.701 3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.036 1.844 2.797 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.287 1.510 -2.310 1.00 0.00 N ATOM 2077 CA ASP A 128 -22.781 1.036 -3.604 1.00 0.00 C ATOM 2078 C ASP A 128 -22.584 -0.474 -3.715 1.00 0.00 C ATOM 2079 O ASP A 128 -23.348 -1.163 -4.383 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.056 1.760 -4.752 1.00 0.00 C ATOM 2081 CG ASP A 128 -22.596 1.390 -6.128 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -23.595 2.000 -6.563 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -22.013 0.507 -6.794 1.00 0.00 O ATOM 0 H ASP A 128 -21.427 2.056 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 128 -23.846 1.257 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.148 2.837 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.993 1.522 -4.710 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.552 -0.981 -3.045 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.292 -2.421 -2.995 1.00 0.00 C ATOM 2090 C LEU A 129 -22.282 -3.102 -2.050 1.00 0.00 C ATOM 2091 O LEU A 129 -22.571 -4.290 -2.183 1.00 0.00 O ATOM 2092 CB LEU A 129 -19.853 -2.693 -2.530 1.00 0.00 C ATOM 2093 CG LEU A 129 -18.751 -2.001 -3.350 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.368 -2.330 -2.790 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -18.847 -2.385 -4.826 1.00 0.00 C ATOM 0 H LEU A 129 -20.879 -0.416 -2.527 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.418 -2.829 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -19.760 -2.379 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.679 -3.769 -2.555 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.899 -0.924 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.605 -1.829 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.303 -1.988 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.208 -3.408 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.057 -1.883 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.735 -3.464 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.818 -2.082 -5.218 1.00 0.00 H new ATOM 2107 N MET A 130 -22.795 -2.329 -1.092 1.00 0.00 N ATOM 2108 CA MET A 130 -23.740 -2.839 -0.099 1.00 0.00 C ATOM 2109 C MET A 130 -25.102 -3.149 -0.730 1.00 0.00 C ATOM 2110 O MET A 130 -25.508 -4.311 -0.816 1.00 0.00 O ATOM 2111 CB MET A 130 -23.912 -1.819 1.043 1.00 0.00 C ATOM 2112 CG MET A 130 -22.659 -1.583 1.892 1.00 0.00 C ATOM 2113 SD MET A 130 -22.606 -2.590 3.395 1.00 0.00 S ATOM 2114 CE MET A 130 -22.468 -4.248 2.730 1.00 0.00 C ATOM 0 H MET A 130 -22.569 -1.340 -0.983 1.00 0.00 H new ATOM 0 HA MET A 130 -23.333 -3.767 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.228 -0.867 0.616 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.716 -2.158 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.776 -1.797 1.290 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.610 -0.530 2.168 1.00 0.00 H new ATOM 0 HE1 MET A 130 -22.043 -4.909 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 130 -23.456 -4.609 2.446 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.820 -4.236 1.853 1.00 0.00 H new