USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 36 TYR OH : rot -27:sc= 0.854 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.42! X(o=-0.7!,f=-0.64) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.715 K(o=-0.7,f=-4.5!) USER MOD Set 3.1: A 35 SER OG : rot 43:sc= 1.1 USER MOD Set 3.2: A 56 ASN : amide:sc= 0.394! C(o=1.5!,f=-10!) USER MOD Set 4.1: A 33 HIS : no HE2:sc= 1.42 K(o=3.6,f=-6.6!) USER MOD Set 4.2: A 46 GLN : amide:sc= 2.22 K(o=3.6,f=0.1) USER MOD Set 5.1: A 28 SER OG : rot 180:sc= 0.0604 USER MOD Set 5.2: A 29 GLN : amide:sc= 0.0355 X(o=0.096,f=-0.017) USER MOD Set 6.1: A 14 SER OG : rot 113:sc= 1.13 USER MOD Set 6.2: A 67 SER OG : rot 82:sc= 2.35 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 159:sc= 1.23 USER MOD Single : A 37 ASN : amide:sc= 0.23 K(o=0.23,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -172:sc= 0.104 USER MOD Single : A 42 GLN : amide:sc= 0.372 K(o=0.37,f=-0.85) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.14) USER MOD Single : A 49 THR OG1 : rot 54:sc= 0.35 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0014 USER MOD Single : A 96 THR OG1 : rot 170:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0241 K(o=-0.024,f=-1.4!) USER MOD Single : A 98 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -147:sc= 0 (180deg=-0.233) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 6:sc= 1.3 USER MOD Single : A 110 THR OG1 : rot -2:sc= 0.281 USER MOD Single : A 112 ASN : amide:sc= 1 K(o=1,f=-4.9!) USER MOD Single : A 113 LYS NZ :NH3+ 174:sc= 1.07 (180deg=1.05) USER MOD Single : A 114 ASN : amide:sc= 1.56 K(o=1.6,f=-9.8!) USER MOD Single : A 115 ASN : amide:sc= 0.863 K(o=0.86,f=-16!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.24 USER MOD Single : A 123 LYS NZ :NH3+ -122:sc= 0.721 (180deg=-0.0749) USER MOD Single : A 125 THR OG1 : rot 154:sc= 0.641 USER MOD Single : A 127 LYS NZ :NH3+ -179:sc= 1.06 (180deg=1.06) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 1.722 -1.051 1.393 1.00 0.00 N ATOM 2 CA GLU A 13 1.996 -0.404 0.116 1.00 0.00 C ATOM 3 C GLU A 13 2.327 1.071 0.305 1.00 0.00 C ATOM 4 O GLU A 13 1.535 1.945 -0.047 1.00 0.00 O ATOM 5 CB GLU A 13 0.798 -0.551 -0.825 1.00 0.00 C ATOM 6 CG GLU A 13 0.478 -1.987 -1.215 1.00 0.00 C ATOM 7 CD GLU A 13 -0.686 -2.090 -2.161 1.00 0.00 C ATOM 8 OE1 GLU A 13 -1.300 -1.085 -2.430 1.00 0.00 O ATOM 9 OE2 GLU A 13 -0.962 -3.175 -2.616 1.00 0.00 O1- ATOM 0 HA GLU A 13 2.862 -0.896 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.079 -0.113 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.990 0.025 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.357 -2.437 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.261 -2.563 -0.315 1.00 0.00 H new ATOM 16 N SER A 14 3.501 1.342 0.865 1.00 0.00 N ATOM 17 CA SER A 14 3.904 2.708 1.178 1.00 0.00 C ATOM 18 C SER A 14 4.196 3.501 -0.089 1.00 0.00 C ATOM 19 O SER A 14 4.208 4.732 -0.073 1.00 0.00 O ATOM 20 CB SER A 14 5.128 2.698 2.074 1.00 0.00 C ATOM 21 OG SER A 14 6.239 2.176 1.399 1.00 0.00 O ATOM 0 H SER A 14 4.191 0.633 1.112 1.00 0.00 H new ATOM 0 HA SER A 14 3.078 3.191 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.345 3.712 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.926 2.103 2.965 1.00 0.00 H new ATOM 0 HG SER A 14 6.905 2.883 1.270 1.00 0.00 H new ATOM 27 N TRP A 15 4.432 2.788 -1.185 1.00 0.00 N ATOM 28 CA TRP A 15 4.662 3.424 -2.477 1.00 0.00 C ATOM 29 C TRP A 15 3.434 4.199 -2.936 1.00 0.00 C ATOM 30 O TRP A 15 3.529 5.083 -3.787 1.00 0.00 O ATOM 31 CB TRP A 15 5.031 2.376 -3.529 1.00 0.00 C ATOM 32 CG TRP A 15 3.947 1.372 -3.779 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.841 0.132 -3.224 1.00 0.00 C ATOM 34 CD2 TRP A 15 2.802 1.519 -4.653 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.716 -0.501 -3.692 1.00 0.00 N ATOM 36 CE2 TRP A 15 2.067 0.334 -4.566 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.349 2.547 -5.490 1.00 0.00 C ATOM 38 CZ2 TRP A 15 0.899 0.140 -5.286 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.176 2.353 -6.211 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.471 1.181 -6.111 1.00 0.00 C ATOM 0 H TRP A 15 4.469 1.769 -1.204 1.00 0.00 H new ATOM 0 HA TRP A 15 5.489 4.124 -2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.270 2.881 -4.465 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.932 1.853 -3.209 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.540 -0.291 -2.518 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.412 -1.439 -3.432 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.900 3.472 -5.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.341 -0.782 -5.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.815 3.137 -6.860 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.437 1.061 -6.684 1.00 0.00 H new ATOM 51 N VAL A 16 2.282 3.862 -2.367 1.00 0.00 N ATOM 52 CA VAL A 16 1.052 4.599 -2.633 1.00 0.00 C ATOM 53 C VAL A 16 1.143 6.028 -2.114 1.00 0.00 C ATOM 54 O VAL A 16 0.756 6.974 -2.800 1.00 0.00 O ATOM 55 CB VAL A 16 -0.148 3.892 -1.975 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.396 4.756 -2.076 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.374 2.538 -2.630 1.00 0.00 C ATOM 0 H VAL A 16 2.174 3.083 -1.718 1.00 0.00 H new ATOM 0 HA VAL A 16 0.911 4.629 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 16 0.069 3.736 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.234 4.241 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.223 5.705 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.626 4.941 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.224 2.044 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.577 2.677 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.517 1.922 -2.508 1.00 0.00 H new ATOM 67 N SER A 17 1.656 6.179 -0.897 1.00 0.00 N ATOM 68 CA SER A 17 1.868 7.498 -0.313 1.00 0.00 C ATOM 69 C SER A 17 2.777 8.349 -1.190 1.00 0.00 C ATOM 70 O SER A 17 2.538 9.543 -1.374 1.00 0.00 O ATOM 71 CB SER A 17 2.468 7.365 1.073 1.00 0.00 C ATOM 72 OG SER A 17 1.560 6.770 1.958 1.00 0.00 O ATOM 0 H SER A 17 1.933 5.403 -0.296 1.00 0.00 H new ATOM 0 HA SER A 17 0.900 7.994 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.378 6.767 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.753 8.349 1.446 1.00 0.00 H new ATOM 0 HG SER A 17 1.970 6.693 2.845 1.00 0.00 H new ATOM 78 N CYS A 18 3.821 7.729 -1.730 1.00 0.00 N ATOM 79 CA CYS A 18 4.725 8.409 -2.649 1.00 0.00 C ATOM 80 C CYS A 18 3.962 9.045 -3.804 1.00 0.00 C ATOM 81 O CYS A 18 4.235 10.182 -4.190 1.00 0.00 O ATOM 82 CB CYS A 18 5.761 7.432 -3.206 1.00 0.00 C ATOM 83 SG CYS A 18 6.893 8.164 -4.412 1.00 0.00 S ATOM 0 H CYS A 18 4.062 6.755 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 18 5.231 9.194 -2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.342 7.025 -2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.241 6.595 -3.673 1.00 0.00 H new ATOM 88 N LEU A 19 3.005 8.304 -4.353 1.00 0.00 N ATOM 89 CA LEU A 19 2.277 8.748 -5.535 1.00 0.00 C ATOM 90 C LEU A 19 0.967 9.425 -5.154 1.00 0.00 C ATOM 91 O LEU A 19 0.085 9.609 -5.993 1.00 0.00 O ATOM 92 CB LEU A 19 1.994 7.557 -6.460 1.00 0.00 C ATOM 93 CG LEU A 19 3.229 6.818 -6.990 1.00 0.00 C ATOM 94 CD1 LEU A 19 2.788 5.653 -7.866 1.00 0.00 C ATOM 95 CD2 LEU A 19 4.106 7.787 -7.769 1.00 0.00 C ATOM 0 H LEU A 19 2.716 7.393 -3.998 1.00 0.00 H new ATOM 0 HA LEU A 19 2.899 9.474 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.369 6.844 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.413 7.912 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 19 3.811 6.421 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.666 5.128 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.179 4.966 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.203 6.030 -8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.984 7.261 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.541 8.196 -8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.423 8.599 -7.114 1.00 0.00 H new ATOM 107 N ASP A 20 0.845 9.794 -3.883 1.00 0.00 N ATOM 108 CA ASP A 20 -0.302 10.563 -3.415 1.00 0.00 C ATOM 109 C ASP A 20 -0.003 12.057 -3.423 1.00 0.00 C ATOM 110 O ASP A 20 1.157 12.467 -3.470 1.00 0.00 O ATOM 111 CB ASP A 20 -0.703 10.124 -2.005 1.00 0.00 C ATOM 112 CG ASP A 20 -1.478 8.813 -1.991 1.00 0.00 C ATOM 113 OD1 ASP A 20 -2.037 8.465 -3.004 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.504 8.173 -0.967 1.00 0.00 O1- ATOM 0 H ASP A 20 1.527 9.572 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.130 10.372 -4.098 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.194 10.017 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.310 10.904 -1.546 1.00 0.00 H new ATOM 119 N PRO A 21 -1.056 12.866 -3.375 1.00 0.00 N ATOM 120 CA PRO A 21 -0.907 14.313 -3.288 1.00 0.00 C ATOM 121 C PRO A 21 -0.011 14.705 -2.119 1.00 0.00 C ATOM 122 O PRO A 21 -0.087 14.115 -1.042 1.00 0.00 O ATOM 123 CB PRO A 21 -2.346 14.796 -3.083 1.00 0.00 C ATOM 124 CG PRO A 21 -3.180 13.745 -3.731 1.00 0.00 C ATOM 125 CD PRO A 21 -2.476 12.455 -3.406 1.00 0.00 C ATOM 0 HA PRO A 21 -0.433 14.752 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.585 14.898 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.508 15.772 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.198 13.751 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.248 13.900 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.801 12.045 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.661 11.690 -4.160 1.00 0.00 H new ATOM 133 N GLU A 22 0.837 15.704 -2.339 1.00 0.00 N ATOM 134 CA GLU A 22 1.835 16.093 -1.350 1.00 0.00 C ATOM 135 C GLU A 22 1.183 16.447 -0.020 1.00 0.00 C ATOM 136 O GLU A 22 0.109 17.048 0.016 1.00 0.00 O ATOM 137 CB GLU A 22 2.655 17.281 -1.859 1.00 0.00 C ATOM 138 CG GLU A 22 3.604 16.947 -3.002 1.00 0.00 C ATOM 139 CD GLU A 22 2.937 16.992 -4.348 1.00 0.00 C ATOM 140 OE1 GLU A 22 1.775 17.318 -4.404 1.00 0.00 O ATOM 141 OE2 GLU A 22 3.590 16.700 -5.322 1.00 0.00 O1- ATOM 0 H GLU A 22 0.853 16.259 -3.194 1.00 0.00 H new ATOM 0 HA GLU A 22 2.497 15.242 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.972 18.064 -2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.233 17.689 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.438 17.649 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.022 15.953 -2.842 1.00 0.00 H new ATOM 148 N GLN A 23 1.838 16.071 1.073 1.00 0.00 N ATOM 149 CA GLN A 23 1.431 16.513 2.401 1.00 0.00 C ATOM 150 C GLN A 23 1.620 18.016 2.563 1.00 0.00 C ATOM 151 O GLN A 23 2.680 18.556 2.246 1.00 0.00 O ATOM 152 CB GLN A 23 2.221 15.768 3.480 1.00 0.00 C ATOM 153 CG GLN A 23 2.037 16.324 4.882 1.00 0.00 C ATOM 154 CD GLN A 23 0.625 16.130 5.400 1.00 0.00 C ATOM 155 OE1 GLN A 23 0.096 15.015 5.402 1.00 0.00 O ATOM 156 NE2 GLN A 23 0.004 17.218 5.844 1.00 0.00 N ATOM 0 H GLN A 23 2.655 15.460 1.065 1.00 0.00 H new ATOM 0 HA GLN A 23 0.371 16.286 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.922 14.720 3.475 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.280 15.799 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.739 15.837 5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.279 17.387 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.479 18.120 5.824 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.948 17.151 6.205 1.00 0.00 H new ATOM 165 N VAL A 24 0.585 18.687 3.058 1.00 0.00 N ATOM 166 CA VAL A 24 0.637 20.130 3.266 1.00 0.00 C ATOM 167 C VAL A 24 1.406 20.476 4.534 1.00 0.00 C ATOM 168 O VAL A 24 1.225 19.842 5.574 1.00 0.00 O ATOM 169 CB VAL A 24 -0.788 20.707 3.360 1.00 0.00 C ATOM 170 CG1 VAL A 24 -0.741 22.183 3.728 1.00 0.00 C ATOM 171 CG2 VAL A 24 -1.517 20.504 2.040 1.00 0.00 C ATOM 0 H VAL A 24 -0.300 18.255 3.323 1.00 0.00 H new ATOM 0 HA VAL A 24 1.154 20.570 2.413 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.332 20.180 4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.756 22.575 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.246 22.302 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.187 22.731 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.524 20.914 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.975 21.013 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.575 19.439 1.816 1.00 0.00 H new ATOM 181 N THR A 25 2.266 21.484 4.442 1.00 0.00 N ATOM 182 CA THR A 25 3.093 21.892 5.572 1.00 0.00 C ATOM 183 C THR A 25 2.254 22.553 6.658 1.00 0.00 C ATOM 184 O THR A 25 1.117 22.959 6.417 1.00 0.00 O ATOM 185 CB THR A 25 4.209 22.854 5.123 1.00 0.00 C ATOM 186 OG1 THR A 25 3.627 24.041 4.569 1.00 0.00 O ATOM 187 CG2 THR A 25 5.095 22.192 4.079 1.00 0.00 C ATOM 0 H THR A 25 2.409 22.035 3.595 1.00 0.00 H new ATOM 0 HA THR A 25 3.548 20.990 5.981 1.00 0.00 H new ATOM 0 HB THR A 25 4.817 23.111 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.338 24.653 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.878 22.886 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.549 21.296 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.494 21.919 3.212 1.00 0.00 H new ATOM 195 N CYS A 26 2.822 22.659 7.854 1.00 0.00 N ATOM 196 CA CYS A 26 2.082 23.146 9.013 1.00 0.00 C ATOM 197 C CYS A 26 2.961 24.017 9.901 1.00 0.00 C ATOM 198 O CYS A 26 4.124 23.695 10.147 1.00 0.00 O ATOM 199 CB CYS A 26 1.536 21.977 9.833 1.00 0.00 C ATOM 200 SG CYS A 26 0.267 22.446 11.033 1.00 0.00 S ATOM 0 H CYS A 26 3.793 22.414 8.047 1.00 0.00 H new ATOM 0 HA CYS A 26 1.252 23.747 8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.121 21.233 9.153 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.362 21.501 10.361 1.00 0.00 H new ATOM 205 N GLU A 27 2.399 25.121 10.381 1.00 0.00 N ATOM 206 CA GLU A 27 3.148 26.069 11.197 1.00 0.00 C ATOM 207 C GLU A 27 2.805 25.918 12.673 1.00 0.00 C ATOM 208 O GLU A 27 3.142 26.775 13.490 1.00 0.00 O ATOM 209 CB GLU A 27 2.866 27.503 10.742 1.00 0.00 C ATOM 210 CG GLU A 27 3.319 27.813 9.323 1.00 0.00 C ATOM 211 CD GLU A 27 3.037 29.233 8.916 1.00 0.00 C ATOM 212 OE1 GLU A 27 2.449 29.947 9.691 1.00 0.00 O ATOM 213 OE2 GLU A 27 3.411 29.603 7.828 1.00 0.00 O1- ATOM 0 H GLU A 27 1.426 25.381 10.219 1.00 0.00 H new ATOM 0 HA GLU A 27 4.209 25.854 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.795 27.691 10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.360 28.192 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.389 27.622 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.818 27.136 8.631 1.00 0.00 H new ATOM 220 N SER A 28 2.133 24.822 13.010 1.00 0.00 N ATOM 221 CA SER A 28 1.768 24.542 14.393 1.00 0.00 C ATOM 222 C SER A 28 2.929 23.914 15.153 1.00 0.00 C ATOM 223 O SER A 28 3.327 24.402 16.211 1.00 0.00 O ATOM 224 CB SER A 28 0.565 23.621 14.439 1.00 0.00 C ATOM 225 OG SER A 28 0.218 23.313 15.762 1.00 0.00 O ATOM 0 H SER A 28 1.830 24.113 12.343 1.00 0.00 H new ATOM 0 HA SER A 28 1.518 25.488 14.873 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.280 24.095 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.784 22.703 13.894 1.00 0.00 H new ATOM 0 HG SER A 28 -0.561 22.719 15.766 1.00 0.00 H new ATOM 231 N GLN A 29 3.470 22.830 14.608 1.00 0.00 N ATOM 232 CA GLN A 29 4.563 22.111 15.252 1.00 0.00 C ATOM 233 C GLN A 29 5.890 22.392 14.559 1.00 0.00 C ATOM 234 O GLN A 29 5.921 22.857 13.420 1.00 0.00 O ATOM 235 CB GLN A 29 4.285 20.606 15.258 1.00 0.00 C ATOM 236 CG GLN A 29 2.970 20.218 15.913 1.00 0.00 C ATOM 237 CD GLN A 29 2.927 20.583 17.385 1.00 0.00 C ATOM 238 OE1 GLN A 29 3.729 20.093 18.184 1.00 0.00 O ATOM 239 NE2 GLN A 29 1.988 21.448 17.752 1.00 0.00 N ATOM 0 H GLN A 29 3.169 22.429 13.720 1.00 0.00 H new ATOM 0 HA GLN A 29 4.632 22.464 16.281 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.287 20.243 14.230 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.099 20.100 15.776 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.149 20.713 15.395 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.815 19.145 15.803 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.345 21.828 17.057 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.910 21.732 18.729 1.00 0.00 H new ATOM 248 N GLU A 30 6.986 22.107 15.254 1.00 0.00 N ATOM 249 CA GLU A 30 8.319 22.321 14.704 1.00 0.00 C ATOM 250 C GLU A 30 8.878 21.040 14.100 1.00 0.00 C ATOM 251 O GLU A 30 9.982 21.029 13.554 1.00 0.00 O ATOM 252 CB GLU A 30 9.266 22.841 15.788 1.00 0.00 C ATOM 253 CG GLU A 30 8.889 24.204 16.352 1.00 0.00 C ATOM 254 CD GLU A 30 8.966 25.302 15.328 1.00 0.00 C ATOM 255 OE1 GLU A 30 9.827 25.242 14.484 1.00 0.00 O ATOM 256 OE2 GLU A 30 8.162 26.202 15.391 1.00 0.00 O1- ATOM 0 H GLU A 30 6.977 21.727 16.200 1.00 0.00 H new ATOM 0 HA GLU A 30 8.237 23.066 13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.295 22.119 16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.274 22.898 15.376 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.876 24.158 16.753 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.551 24.443 17.184 1.00 0.00 H new ATOM 263 N GLY A 31 8.110 19.960 14.200 1.00 0.00 N ATOM 264 CA GLY A 31 8.533 18.668 13.673 1.00 0.00 C ATOM 265 C GLY A 31 8.516 18.662 12.150 1.00 0.00 C ATOM 266 O GLY A 31 7.686 19.323 11.526 1.00 0.00 O ATOM 0 H GLY A 31 7.191 19.954 14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.537 18.438 14.029 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.874 17.885 14.050 1.00 0.00 H new ATOM 270 N THR A 32 9.437 17.911 11.556 1.00 0.00 N ATOM 271 CA THR A 32 9.547 17.838 10.104 1.00 0.00 C ATOM 272 C THR A 32 9.307 16.419 9.604 1.00 0.00 C ATOM 273 O THR A 32 9.309 15.467 10.384 1.00 0.00 O ATOM 274 CB THR A 32 10.927 18.328 9.627 1.00 0.00 C ATOM 275 OG1 THR A 32 11.945 17.447 10.118 1.00 0.00 O ATOM 276 CG2 THR A 32 11.196 19.738 10.132 1.00 0.00 C ATOM 0 H THR A 32 10.119 17.343 12.059 1.00 0.00 H new ATOM 0 HA THR A 32 8.779 18.491 9.689 1.00 0.00 H new ATOM 0 HB THR A 32 10.937 18.335 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.750 17.538 9.567 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.175 20.068 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.430 20.413 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.176 19.744 11.222 1.00 0.00 H new ATOM 284 N HIS A 33 9.100 16.285 8.299 1.00 0.00 N ATOM 285 CA HIS A 33 8.858 14.982 7.691 1.00 0.00 C ATOM 286 C HIS A 33 9.301 14.962 6.234 1.00 0.00 C ATOM 287 O HIS A 33 9.535 16.010 5.632 1.00 0.00 O ATOM 288 CB HIS A 33 7.375 14.608 7.785 1.00 0.00 C ATOM 289 CG HIS A 33 6.472 15.537 7.035 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.844 16.609 7.634 1.00 0.00 N ATOM 291 CD2 HIS A 33 6.090 15.555 5.736 1.00 0.00 C ATOM 292 CE1 HIS A 33 5.116 17.247 6.735 1.00 0.00 C ATOM 293 NE2 HIS A 33 5.248 16.628 5.576 1.00 0.00 N ATOM 0 H HIS A 33 9.095 17.064 7.641 1.00 0.00 H new ATOM 0 HA HIS A 33 9.447 14.249 8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.240 13.596 7.403 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.078 14.595 8.834 1.00 0.00 H new ATOM 0 HD1 HIS A 33 5.928 16.868 8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.391 14.856 4.969 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.515 18.126 6.917 1.00 0.00 H new ATOM 301 N ALA A 34 9.416 13.763 5.672 1.00 0.00 N ATOM 302 CA ALA A 34 9.777 13.607 4.269 1.00 0.00 C ATOM 303 C ALA A 34 8.539 13.462 3.394 1.00 0.00 C ATOM 304 O ALA A 34 7.534 12.888 3.813 1.00 0.00 O ATOM 305 CB ALA A 34 10.695 12.407 4.089 1.00 0.00 C ATOM 0 H ALA A 34 9.264 12.885 6.168 1.00 0.00 H new ATOM 0 HA ALA A 34 10.307 14.507 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.956 12.303 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.602 12.552 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.185 11.505 4.427 1.00 0.00 H new ATOM 311 N SER A 35 8.617 13.985 2.175 1.00 0.00 N ATOM 312 CA SER A 35 7.520 13.872 1.221 1.00 0.00 C ATOM 313 C SER A 35 8.032 13.914 -0.214 1.00 0.00 C ATOM 314 O SER A 35 8.953 14.666 -0.533 1.00 0.00 O ATOM 315 CB SER A 35 6.519 14.989 1.443 1.00 0.00 C ATOM 316 OG SER A 35 5.480 14.924 0.505 1.00 0.00 O ATOM 0 H SER A 35 9.430 14.492 1.824 1.00 0.00 H new ATOM 0 HA SER A 35 7.031 12.911 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.109 14.920 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.022 15.953 1.368 1.00 0.00 H new ATOM 0 HG SER A 35 5.192 13.993 0.400 1.00 0.00 H new ATOM 322 N TYR A 36 7.429 13.102 -1.075 1.00 0.00 N ATOM 323 CA TYR A 36 7.816 13.051 -2.480 1.00 0.00 C ATOM 324 C TYR A 36 7.204 14.206 -3.263 1.00 0.00 C ATOM 325 O TYR A 36 5.995 14.240 -3.493 1.00 0.00 O ATOM 326 CB TYR A 36 7.407 11.714 -3.100 1.00 0.00 C ATOM 327 CG TYR A 36 7.692 11.615 -4.582 1.00 0.00 C ATOM 328 CD1 TYR A 36 8.993 11.426 -5.027 1.00 0.00 C ATOM 329 CD2 TYR A 36 6.654 11.714 -5.497 1.00 0.00 C ATOM 330 CE1 TYR A 36 9.253 11.336 -6.381 1.00 0.00 C ATOM 331 CE2 TYR A 36 6.915 11.624 -6.850 1.00 0.00 C ATOM 332 CZ TYR A 36 8.208 11.436 -7.293 1.00 0.00 C ATOM 333 OH TYR A 36 8.468 11.346 -8.641 1.00 0.00 O ATOM 0 H TYR A 36 6.669 12.469 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 36 8.901 13.145 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.931 10.910 -2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.341 11.558 -2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.802 11.349 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.642 11.861 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.264 11.188 -6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.106 11.701 -7.562 1.00 0.00 H new ATOM 0 HH TYR A 36 9.385 11.642 -8.818 1.00 0.00 H new ATOM 343 N ASN A 37 8.045 15.151 -3.669 1.00 0.00 N ATOM 344 CA ASN A 37 7.586 16.318 -4.411 1.00 0.00 C ATOM 345 C ASN A 37 7.549 16.040 -5.908 1.00 0.00 C ATOM 346 O ASN A 37 8.590 15.891 -6.548 1.00 0.00 O ATOM 347 CB ASN A 37 8.463 17.520 -4.113 1.00 0.00 C ATOM 348 CG ASN A 37 7.944 18.784 -4.739 1.00 0.00 C ATOM 349 OD1 ASN A 37 7.039 18.748 -5.582 1.00 0.00 O ATOM 350 ND2 ASN A 37 8.498 19.902 -4.345 1.00 0.00 N ATOM 0 H ASN A 37 9.050 15.131 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 37 6.570 16.542 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.533 17.656 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.473 17.327 -4.476 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.186 20.791 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.242 19.884 -3.647 1.00 0.00 H new ATOM 357 N ARG A 38 6.343 15.971 -6.463 1.00 0.00 N ATOM 358 CA ARG A 38 6.161 15.573 -7.854 1.00 0.00 C ATOM 359 C ARG A 38 6.658 16.653 -8.806 1.00 0.00 C ATOM 360 O ARG A 38 6.892 16.394 -9.986 1.00 0.00 O ATOM 361 CB ARG A 38 4.695 15.284 -8.140 1.00 0.00 C ATOM 362 CG ARG A 38 4.136 14.057 -7.438 1.00 0.00 C ATOM 363 CD ARG A 38 2.668 13.934 -7.631 1.00 0.00 C ATOM 364 NE ARG A 38 1.944 15.014 -6.981 1.00 0.00 N ATOM 365 CZ ARG A 38 0.619 15.229 -7.103 1.00 0.00 C ATOM 366 NH1 ARG A 38 -0.110 14.432 -7.853 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 0.053 16.241 -6.469 1.00 0.00 N ATOM 0 H ARG A 38 5.476 16.186 -5.970 1.00 0.00 H new ATOM 0 HA ARG A 38 6.747 14.668 -8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.105 16.152 -7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.567 15.159 -9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.629 13.163 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.359 14.114 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.441 13.934 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.328 12.978 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 38 2.476 15.654 -6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.327 13.651 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.113 14.595 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.619 16.859 -5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.950 16.404 -6.561 1.00 0.00 H new ATOM 381 N LYS A 39 6.818 17.865 -8.285 1.00 0.00 N ATOM 382 CA LYS A 39 7.264 18.993 -9.094 1.00 0.00 C ATOM 383 C LYS A 39 8.764 18.929 -9.351 1.00 0.00 C ATOM 384 O LYS A 39 9.269 19.541 -10.292 1.00 0.00 O ATOM 385 CB LYS A 39 6.903 20.315 -8.415 1.00 0.00 C ATOM 386 CG LYS A 39 5.409 20.603 -8.351 1.00 0.00 C ATOM 387 CD LYS A 39 5.130 21.927 -7.655 1.00 0.00 C ATOM 388 CE LYS A 39 3.638 22.217 -7.593 1.00 0.00 C ATOM 389 NZ LYS A 39 3.348 23.493 -6.884 1.00 0.00 N1+ ATOM 0 H LYS A 39 6.645 18.091 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 39 6.752 18.937 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.303 20.310 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.395 21.129 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.998 20.627 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.904 19.797 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.540 21.903 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.637 22.733 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.235 22.265 -8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.130 21.397 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.321 23.653 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.709 23.439 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.811 24.280 -7.382 1.00 0.00 H new ATOM 403 N THR A 40 9.471 18.183 -8.510 1.00 0.00 N ATOM 404 CA THR A 40 10.921 18.069 -8.619 1.00 0.00 C ATOM 405 C THR A 40 11.345 16.622 -8.835 1.00 0.00 C ATOM 406 O THR A 40 12.463 16.352 -9.275 1.00 0.00 O ATOM 407 CB THR A 40 11.617 18.631 -7.366 1.00 0.00 C ATOM 408 OG1 THR A 40 11.180 17.907 -6.208 1.00 0.00 O ATOM 409 CG2 THR A 40 11.291 20.106 -7.191 1.00 0.00 C ATOM 0 H THR A 40 9.063 17.647 -7.744 1.00 0.00 H new ATOM 0 HA THR A 40 11.227 18.656 -9.485 1.00 0.00 H new ATOM 0 HB THR A 40 12.695 18.520 -7.487 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.526 18.341 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.792 20.486 -6.300 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.634 20.661 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.214 20.230 -7.082 1.00 0.00 H new ATOM 417 N GLY A 41 10.446 15.694 -8.523 1.00 0.00 N ATOM 418 CA GLY A 41 10.692 14.278 -8.764 1.00 0.00 C ATOM 419 C GLY A 41 11.667 13.706 -7.743 1.00 0.00 C ATOM 420 O GLY A 41 12.532 12.898 -8.080 1.00 0.00 O ATOM 0 H GLY A 41 9.540 15.898 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.751 13.730 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.092 14.142 -9.769 1.00 0.00 H new ATOM 424 N GLN A 42 11.521 14.130 -6.492 1.00 0.00 N ATOM 425 CA GLN A 42 12.424 13.705 -5.429 1.00 0.00 C ATOM 426 C GLN A 42 11.774 13.859 -4.060 1.00 0.00 C ATOM 427 O GLN A 42 10.792 14.585 -3.906 1.00 0.00 O ATOM 428 CB GLN A 42 13.728 14.505 -5.481 1.00 0.00 C ATOM 429 CG GLN A 42 13.554 15.996 -5.242 1.00 0.00 C ATOM 430 CD GLN A 42 14.874 16.742 -5.258 1.00 0.00 C ATOM 431 OE1 GLN A 42 15.897 16.215 -5.704 1.00 0.00 O ATOM 432 NE2 GLN A 42 14.860 17.978 -4.770 1.00 0.00 N ATOM 0 H GLN A 42 10.785 14.768 -6.189 1.00 0.00 H new ATOM 0 HA GLN A 42 12.648 12.650 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 42 14.416 14.107 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 42 14.194 14.356 -6.455 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.897 16.410 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.063 16.152 -4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.992 18.375 -4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.718 18.530 -4.754 1.00 0.00 H new ATOM 441 N CYS A 43 12.327 13.172 -3.067 1.00 0.00 N ATOM 442 CA CYS A 43 11.845 13.283 -1.695 1.00 0.00 C ATOM 443 C CYS A 43 12.491 14.462 -0.979 1.00 0.00 C ATOM 444 O CYS A 43 13.711 14.619 -0.997 1.00 0.00 O ATOM 445 CB CYS A 43 12.134 12.000 -0.917 1.00 0.00 C ATOM 446 SG CYS A 43 11.246 10.548 -1.529 1.00 0.00 S ATOM 0 H CYS A 43 13.111 12.531 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 43 10.768 13.445 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.205 11.799 -0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.874 12.157 0.130 1.00 0.00 H new ATOM 451 N GLU A 44 11.664 15.289 -0.348 1.00 0.00 N ATOM 452 CA GLU A 44 12.142 16.509 0.292 1.00 0.00 C ATOM 453 C GLU A 44 11.628 16.619 1.722 1.00 0.00 C ATOM 454 O GLU A 44 10.523 16.173 2.031 1.00 0.00 O ATOM 455 CB GLU A 44 11.708 17.738 -0.511 1.00 0.00 C ATOM 456 CG GLU A 44 12.257 17.786 -1.930 1.00 0.00 C ATOM 457 CD GLU A 44 11.685 18.916 -2.740 1.00 0.00 C ATOM 458 OE1 GLU A 44 10.765 19.547 -2.278 1.00 0.00 O ATOM 459 OE2 GLU A 44 12.168 19.148 -3.823 1.00 0.00 O1- ATOM 0 H GLU A 44 10.659 15.136 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 44 13.231 16.465 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.619 17.763 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.027 18.635 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.342 17.886 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.041 16.842 -2.430 1.00 0.00 H new ATOM 466 N GLU A 45 12.436 17.215 2.592 1.00 0.00 N ATOM 467 CA GLU A 45 12.054 17.407 3.986 1.00 0.00 C ATOM 468 C GLU A 45 11.313 18.724 4.178 1.00 0.00 C ATOM 469 O GLU A 45 11.720 19.759 3.650 1.00 0.00 O ATOM 470 CB GLU A 45 13.290 17.370 4.887 1.00 0.00 C ATOM 471 CG GLU A 45 12.986 17.467 6.376 1.00 0.00 C ATOM 472 CD GLU A 45 14.221 17.408 7.230 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.295 17.325 6.684 1.00 0.00 O ATOM 474 OE2 GLU A 45 14.091 17.447 8.431 1.00 0.00 O1- ATOM 0 H GLU A 45 13.361 17.574 2.356 1.00 0.00 H new ATOM 0 HA GLU A 45 11.384 16.593 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.834 16.444 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.952 18.190 4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.458 18.400 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.316 16.655 6.659 1.00 0.00 H new ATOM 481 N GLN A 46 10.223 18.678 4.936 1.00 0.00 N ATOM 482 CA GLN A 46 9.403 19.861 5.170 1.00 0.00 C ATOM 483 C GLN A 46 8.786 19.836 6.563 1.00 0.00 C ATOM 484 O GLN A 46 8.577 18.770 7.141 1.00 0.00 O ATOM 485 CB GLN A 46 8.302 19.967 4.112 1.00 0.00 C ATOM 486 CG GLN A 46 7.351 18.782 4.082 1.00 0.00 C ATOM 487 CD GLN A 46 6.314 18.900 2.981 1.00 0.00 C ATOM 488 OE1 GLN A 46 6.498 19.644 2.014 1.00 0.00 O ATOM 489 NE2 GLN A 46 5.217 18.166 3.122 1.00 0.00 N ATOM 0 H GLN A 46 9.887 17.834 5.399 1.00 0.00 H new ATOM 0 HA GLN A 46 10.051 20.735 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.727 20.875 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.765 20.072 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.923 17.864 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.847 18.700 5.045 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.107 17.564 3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.484 18.203 2.414 1.00 0.00 H new ATOM 498 N LYS A 47 8.496 21.018 7.097 1.00 0.00 N ATOM 499 CA LYS A 47 7.975 21.138 8.453 1.00 0.00 C ATOM 500 C LYS A 47 6.455 21.047 8.470 1.00 0.00 C ATOM 501 O LYS A 47 5.774 21.720 7.696 1.00 0.00 O ATOM 502 CB LYS A 47 8.430 22.454 9.087 1.00 0.00 C ATOM 503 CG LYS A 47 8.028 22.621 10.546 1.00 0.00 C ATOM 504 CD LYS A 47 8.505 23.955 11.101 1.00 0.00 C ATOM 505 CE LYS A 47 10.019 23.985 11.248 1.00 0.00 C ATOM 506 NZ LYS A 47 10.495 25.258 11.855 1.00 0.00 N1+ ATOM 0 H LYS A 47 8.613 21.907 6.611 1.00 0.00 H new ATOM 0 HA LYS A 47 8.372 20.308 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.515 22.524 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.017 23.282 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.944 22.554 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.449 21.807 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.186 24.761 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.040 24.135 12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.340 23.146 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.481 23.855 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.535 25.280 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.126 26.062 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.158 25.322 12.837 1.00 0.00 H new ATOM 520 N GLY A 48 5.927 20.210 9.356 1.00 0.00 N ATOM 521 CA GLY A 48 4.484 20.071 9.515 1.00 0.00 C ATOM 522 C GLY A 48 4.121 18.704 10.080 1.00 0.00 C ATOM 523 O GLY A 48 4.911 17.763 10.012 1.00 0.00 O ATOM 0 H GLY A 48 6.478 19.616 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.112 20.852 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.994 20.211 8.551 1.00 0.00 H new ATOM 527 N THR A 49 2.919 18.601 10.638 1.00 0.00 N ATOM 528 CA THR A 49 2.459 17.355 11.239 1.00 0.00 C ATOM 529 C THR A 49 1.054 17.001 10.766 1.00 0.00 C ATOM 530 O THR A 49 0.097 17.057 11.538 1.00 0.00 O ATOM 531 CB THR A 49 2.480 17.440 12.777 1.00 0.00 C ATOM 532 OG1 THR A 49 1.695 18.559 13.207 1.00 0.00 O ATOM 533 CG2 THR A 49 3.906 17.602 13.282 1.00 0.00 C ATOM 0 H THR A 49 2.246 19.366 10.686 1.00 0.00 H new ATOM 0 HA THR A 49 3.145 16.571 10.920 1.00 0.00 H new ATOM 0 HB THR A 49 2.064 16.518 13.183 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.798 18.499 12.816 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.902 17.660 14.370 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.503 16.746 12.967 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.336 18.516 12.871 1.00 0.00 H new ATOM 541 N GLU A 50 0.938 16.637 9.494 1.00 0.00 N ATOM 542 CA GLU A 50 -0.299 16.072 8.969 1.00 0.00 C ATOM 543 C GLU A 50 -1.450 17.063 9.086 1.00 0.00 C ATOM 544 O GLU A 50 -2.588 16.678 9.354 1.00 0.00 O ATOM 545 CB GLU A 50 -0.650 14.778 9.706 1.00 0.00 C ATOM 546 CG GLU A 50 0.367 13.659 9.531 1.00 0.00 C ATOM 547 CD GLU A 50 -0.061 12.372 10.180 1.00 0.00 C ATOM 548 OE1 GLU A 50 -0.805 12.427 11.130 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.356 11.333 9.725 1.00 0.00 O1- ATOM 0 H GLU A 50 1.687 16.723 8.807 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.142 15.851 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.753 14.996 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.621 14.428 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.530 13.487 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.321 13.973 9.953 1.00 0.00 H new ATOM 556 N CYS A 51 -1.147 18.341 8.883 1.00 0.00 N ATOM 557 CA CYS A 51 -2.168 19.382 8.902 1.00 0.00 C ATOM 558 C CYS A 51 -2.832 19.527 7.539 1.00 0.00 C ATOM 559 O CYS A 51 -2.710 20.563 6.885 1.00 0.00 O ATOM 560 CB CYS A 51 -1.559 20.723 9.312 1.00 0.00 C ATOM 561 SG CYS A 51 -0.867 20.741 10.983 1.00 0.00 S ATOM 0 H CYS A 51 -0.202 18.681 8.703 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.923 19.087 9.631 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.774 20.985 8.603 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.325 21.495 9.239 1.00 0.00 H new ATOM 566 N GLY A 52 -3.536 18.482 7.116 1.00 0.00 N ATOM 567 CA GLY A 52 -4.254 18.506 5.847 1.00 0.00 C ATOM 568 C GLY A 52 -3.355 18.072 4.697 1.00 0.00 C ATOM 569 O GLY A 52 -2.145 17.922 4.865 1.00 0.00 O ATOM 0 H GLY A 52 -3.625 17.608 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.120 17.847 5.904 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.631 19.511 5.658 1.00 0.00 H new ATOM 573 N GLY A 53 -3.953 17.874 3.527 1.00 0.00 N ATOM 574 CA GLY A 53 -3.214 17.418 2.356 1.00 0.00 C ATOM 575 C GLY A 53 -3.476 15.943 2.078 1.00 0.00 C ATOM 576 O GLY A 53 -4.490 15.392 2.506 1.00 0.00 O ATOM 0 H GLY A 53 -4.949 18.023 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.502 18.011 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.147 17.577 2.511 1.00 0.00 H new ATOM 580 N GLY A 54 -2.556 15.309 1.359 1.00 0.00 N ATOM 581 CA GLY A 54 -2.680 13.894 1.032 1.00 0.00 C ATOM 582 C GLY A 54 -1.958 13.027 2.055 1.00 0.00 C ATOM 583 O GLY A 54 -1.644 13.479 3.156 1.00 0.00 O ATOM 0 H GLY A 54 -1.715 15.754 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.734 13.617 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.268 13.710 0.040 1.00 0.00 H new ATOM 587 N GLU A 55 -1.696 11.778 1.684 1.00 0.00 N ATOM 588 CA GLU A 55 -0.976 10.856 2.554 1.00 0.00 C ATOM 589 C GLU A 55 0.506 10.811 2.203 1.00 0.00 C ATOM 590 O GLU A 55 1.242 9.950 2.686 1.00 0.00 O ATOM 591 CB GLU A 55 -1.576 9.452 2.457 1.00 0.00 C ATOM 592 CG GLU A 55 -3.024 9.353 2.916 1.00 0.00 C ATOM 593 CD GLU A 55 -3.198 9.672 4.375 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.359 9.286 5.152 1.00 0.00 O ATOM 595 OE2 GLU A 55 -4.172 10.304 4.712 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.972 11.381 0.786 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.076 11.218 3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.512 9.113 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.971 8.770 3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.635 10.035 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.393 8.346 2.723 1.00 0.00 H new ATOM 602 N ASN A 56 0.938 11.743 1.361 1.00 0.00 N ATOM 603 CA ASN A 56 2.315 11.764 0.882 1.00 0.00 C ATOM 604 C ASN A 56 3.252 12.352 1.929 1.00 0.00 C ATOM 605 O ASN A 56 3.651 13.513 1.837 1.00 0.00 O ATOM 606 CB ASN A 56 2.416 12.538 -0.420 1.00 0.00 C ATOM 607 CG ASN A 56 3.801 12.507 -1.004 1.00 0.00 C ATOM 608 OD1 ASN A 56 4.791 12.367 -0.278 1.00 0.00 O ATOM 609 ND2 ASN A 56 3.889 12.636 -2.303 1.00 0.00 N ATOM 0 H ASN A 56 0.354 12.495 0.996 1.00 0.00 H new ATOM 0 HA ASN A 56 2.622 10.735 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.712 12.123 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.121 13.573 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.803 12.623 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.044 12.749 -2.863 1.00 0.00 H new ATOM 616 N HIS A 57 3.601 11.543 2.924 1.00 0.00 N ATOM 617 CA HIS A 57 4.611 11.925 3.904 1.00 0.00 C ATOM 618 C HIS A 57 5.211 10.701 4.583 1.00 0.00 C ATOM 619 O HIS A 57 4.554 9.669 4.716 1.00 0.00 O ATOM 620 CB HIS A 57 4.013 12.860 4.960 1.00 0.00 C ATOM 621 CG HIS A 57 2.863 12.263 5.710 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.608 12.120 5.157 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.778 11.773 6.970 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.800 11.566 6.045 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.485 11.347 7.152 1.00 0.00 N ATOM 0 H HIS A 57 3.199 10.618 3.073 1.00 0.00 H new ATOM 0 HA HIS A 57 5.404 12.449 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.792 13.139 5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.681 13.778 4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.577 11.726 7.695 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.243 11.332 5.891 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.114 10.929 8.005 1.00 0.00 H new ATOM 633 N PHE A 58 6.463 10.823 5.010 1.00 0.00 N ATOM 634 CA PHE A 58 7.212 9.681 5.523 1.00 0.00 C ATOM 635 C PHE A 58 8.010 10.059 6.764 1.00 0.00 C ATOM 636 O PHE A 58 8.268 11.236 7.014 1.00 0.00 O ATOM 637 CB PHE A 58 8.155 9.135 4.450 1.00 0.00 C ATOM 638 CG PHE A 58 7.455 8.679 3.202 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.232 9.559 2.153 1.00 0.00 C ATOM 640 CD2 PHE A 58 7.016 7.370 3.074 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.587 9.141 1.005 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.373 6.948 1.927 1.00 0.00 C ATOM 643 CZ PHE A 58 6.158 7.835 0.891 1.00 0.00 C ATOM 0 H PHE A 58 6.981 11.702 5.011 1.00 0.00 H new ATOM 0 HA PHE A 58 6.493 8.909 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.878 9.907 4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.718 8.299 4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.566 10.583 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.179 6.672 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.419 9.837 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.039 5.925 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.655 7.507 -0.007 1.00 0.00 H new ATOM 653 N GLU A 59 8.400 9.053 7.540 1.00 0.00 N ATOM 654 CA GLU A 59 9.152 9.279 8.768 1.00 0.00 C ATOM 655 C GLU A 59 10.496 9.936 8.478 1.00 0.00 C ATOM 656 O GLU A 59 10.948 10.802 9.226 1.00 0.00 O ATOM 657 CB GLU A 59 9.369 7.959 9.511 1.00 0.00 C ATOM 658 CG GLU A 59 8.104 7.357 10.105 1.00 0.00 C ATOM 659 CD GLU A 59 8.318 5.976 10.660 1.00 0.00 C ATOM 660 OE1 GLU A 59 9.377 5.432 10.457 1.00 0.00 O ATOM 661 OE2 GLU A 59 7.420 5.463 11.286 1.00 0.00 O1- ATOM 0 H GLU A 59 8.207 8.072 7.339 1.00 0.00 H new ATOM 0 HA GLU A 59 8.569 9.952 9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.812 7.238 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.090 8.121 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.735 8.008 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.331 7.319 9.338 1.00 0.00 H new ATOM 668 N THR A 60 11.129 9.519 7.387 1.00 0.00 N ATOM 669 CA THR A 60 12.409 10.087 6.980 1.00 0.00 C ATOM 670 C THR A 60 12.620 9.949 5.478 1.00 0.00 C ATOM 671 O THR A 60 11.807 9.342 4.780 1.00 0.00 O ATOM 672 CB THR A 60 13.576 9.419 7.730 1.00 0.00 C ATOM 673 OG1 THR A 60 14.786 10.145 7.480 1.00 0.00 O ATOM 674 CG2 THR A 60 13.749 7.979 7.272 1.00 0.00 C ATOM 0 H THR A 60 10.776 8.789 6.768 1.00 0.00 H new ATOM 0 HA THR A 60 12.387 11.147 7.235 1.00 0.00 H new ATOM 0 HB THR A 60 13.354 9.426 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 60 15.528 9.720 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.578 7.522 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.834 7.421 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.959 7.960 6.203 1.00 0.00 H new ATOM 682 N LEU A 61 13.716 10.515 4.985 1.00 0.00 N ATOM 683 CA LEU A 61 13.963 10.586 3.549 1.00 0.00 C ATOM 684 C LEU A 61 14.235 9.205 2.968 1.00 0.00 C ATOM 685 O LEU A 61 13.852 8.911 1.836 1.00 0.00 O ATOM 686 CB LEU A 61 15.151 11.513 3.261 1.00 0.00 C ATOM 687 CG LEU A 61 14.909 13.005 3.520 1.00 0.00 C ATOM 688 CD1 LEU A 61 16.227 13.760 3.411 1.00 0.00 C ATOM 689 CD2 LEU A 61 13.891 13.535 2.521 1.00 0.00 C ATOM 0 H LEU A 61 14.449 10.932 5.559 1.00 0.00 H new ATOM 0 HA LEU A 61 13.067 10.987 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.996 11.190 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.442 11.387 2.218 1.00 0.00 H new ATOM 0 HG LEU A 61 14.512 13.149 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.055 14.821 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.930 13.373 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.641 13.628 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.719 14.595 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.270 13.399 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.953 12.990 2.633 1.00 0.00 H new ATOM 701 N LEU A 62 14.899 8.360 3.750 1.00 0.00 N ATOM 702 CA LEU A 62 15.218 7.005 3.316 1.00 0.00 C ATOM 703 C LEU A 62 13.954 6.181 3.110 1.00 0.00 C ATOM 704 O LEU A 62 13.852 5.411 2.154 1.00 0.00 O ATOM 705 CB LEU A 62 16.121 6.317 4.348 1.00 0.00 C ATOM 706 CG LEU A 62 17.542 6.881 4.468 1.00 0.00 C ATOM 707 CD1 LEU A 62 18.255 6.217 5.638 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.293 6.648 3.166 1.00 0.00 C ATOM 0 H LEU A 62 15.227 8.590 4.688 1.00 0.00 H new ATOM 0 HA LEU A 62 15.743 7.074 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.641 6.381 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.190 5.259 4.096 1.00 0.00 H new ATOM 0 HG LEU A 62 17.502 7.954 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.265 6.618 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.707 6.416 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.305 5.141 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.303 7.049 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.343 5.579 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.772 7.149 2.351 1.00 0.00 H new ATOM 720 N LYS A 63 12.991 6.346 4.011 1.00 0.00 N ATOM 721 CA LYS A 63 11.706 5.667 3.893 1.00 0.00 C ATOM 722 C LYS A 63 10.944 6.140 2.662 1.00 0.00 C ATOM 723 O LYS A 63 10.325 5.341 1.959 1.00 0.00 O ATOM 724 CB LYS A 63 10.865 5.890 5.151 1.00 0.00 C ATOM 725 CG LYS A 63 9.549 5.125 5.172 1.00 0.00 C ATOM 726 CD LYS A 63 8.849 5.266 6.515 1.00 0.00 C ATOM 727 CE LYS A 63 7.557 4.462 6.554 1.00 0.00 C ATOM 728 NZ LYS A 63 6.911 4.512 7.893 1.00 0.00 N1+ ATOM 0 H LYS A 63 13.077 6.945 4.832 1.00 0.00 H new ATOM 0 HA LYS A 63 11.901 4.600 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.453 5.601 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.654 6.955 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.898 5.495 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.735 4.071 4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.513 4.929 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.631 6.317 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.867 4.848 5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.767 3.425 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.035 3.952 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.559 4.120 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.687 5.499 8.134 1.00 0.00 H new ATOM 742 N CYS A 64 10.992 7.443 2.407 1.00 0.00 N ATOM 743 CA CYS A 64 10.385 8.012 1.210 1.00 0.00 C ATOM 744 C CYS A 64 11.036 7.460 -0.052 1.00 0.00 C ATOM 745 O CYS A 64 10.349 7.020 -0.974 1.00 0.00 O ATOM 746 CB CYS A 64 10.509 9.536 1.216 1.00 0.00 C ATOM 747 SG CYS A 64 9.726 10.346 -0.199 1.00 0.00 S ATOM 0 H CYS A 64 11.446 8.126 3.014 1.00 0.00 H new ATOM 0 HA CYS A 64 9.331 7.734 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.065 9.922 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.565 9.804 1.236 1.00 0.00 H new ATOM 752 N ASN A 65 12.364 7.487 -0.088 1.00 0.00 N ATOM 753 CA ASN A 65 13.108 7.046 -1.261 1.00 0.00 C ATOM 754 C ASN A 65 12.814 5.587 -1.584 1.00 0.00 C ATOM 755 O ASN A 65 12.582 5.231 -2.739 1.00 0.00 O ATOM 756 CB ASN A 65 14.597 7.260 -1.060 1.00 0.00 C ATOM 757 CG ASN A 65 14.990 8.709 -1.143 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.318 9.510 -1.802 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.066 9.060 -0.486 1.00 0.00 N ATOM 0 H ASN A 65 12.948 7.810 0.683 1.00 0.00 H new ATOM 0 HA ASN A 65 12.783 7.648 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.889 6.863 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.146 6.695 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.381 10.030 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.589 8.364 0.045 1.00 0.00 H new ATOM 766 N GLU A 66 12.825 4.745 -0.555 1.00 0.00 N ATOM 767 CA GLU A 66 12.550 3.324 -0.726 1.00 0.00 C ATOM 768 C GLU A 66 11.125 3.092 -1.211 1.00 0.00 C ATOM 769 O GLU A 66 10.881 2.242 -2.068 1.00 0.00 O ATOM 770 CB GLU A 66 12.780 2.575 0.589 1.00 0.00 C ATOM 771 CG GLU A 66 14.242 2.451 0.995 1.00 0.00 C ATOM 772 CD GLU A 66 14.423 1.786 2.331 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.440 1.532 2.986 1.00 0.00 O ATOM 774 OE2 GLU A 66 15.546 1.531 2.697 1.00 0.00 O1- ATOM 0 H GLU A 66 13.022 5.023 0.406 1.00 0.00 H new ATOM 0 HA GLU A 66 13.236 2.941 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.237 3.086 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.353 1.576 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.778 1.881 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.691 3.444 1.025 1.00 0.00 H new ATOM 781 N SER A 67 10.187 3.854 -0.659 1.00 0.00 N ATOM 782 CA SER A 67 8.789 3.760 -1.062 1.00 0.00 C ATOM 783 C SER A 67 8.612 4.134 -2.528 1.00 0.00 C ATOM 784 O SER A 67 7.838 3.506 -3.250 1.00 0.00 O ATOM 785 CB SER A 67 7.933 4.661 -0.194 1.00 0.00 C ATOM 786 OG SER A 67 7.946 4.233 1.140 1.00 0.00 O ATOM 0 H SER A 67 10.370 4.544 0.069 1.00 0.00 H new ATOM 0 HA SER A 67 8.471 2.726 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.300 5.686 -0.254 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.909 4.666 -0.568 1.00 0.00 H new ATOM 0 HG SER A 67 8.751 4.571 1.584 1.00 0.00 H new ATOM 792 N CYS A 68 9.333 5.162 -2.962 1.00 0.00 N ATOM 793 CA CYS A 68 9.234 5.642 -4.335 1.00 0.00 C ATOM 794 C CYS A 68 10.033 4.760 -5.286 1.00 0.00 C ATOM 795 O CYS A 68 9.801 4.764 -6.495 1.00 0.00 O ATOM 796 CB CYS A 68 9.738 7.082 -4.439 1.00 0.00 C ATOM 797 SG CYS A 68 8.732 8.283 -3.535 1.00 0.00 S ATOM 0 H CYS A 68 9.993 5.679 -2.382 1.00 0.00 H new ATOM 0 HA CYS A 68 8.182 5.604 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.761 7.126 -4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.771 7.369 -5.490 1.00 0.00 H new ATOM 802 N ASN A 69 10.976 4.005 -4.733 1.00 0.00 N ATOM 803 CA ASN A 69 11.684 2.983 -5.495 1.00 0.00 C ATOM 804 C ASN A 69 10.805 1.761 -5.726 1.00 0.00 C ATOM 805 O ASN A 69 10.937 1.071 -6.738 1.00 0.00 O ATOM 806 CB ASN A 69 12.971 2.590 -4.793 1.00 0.00 C ATOM 807 CG ASN A 69 14.041 3.638 -4.920 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.009 4.468 -5.836 1.00 0.00 O ATOM 809 ND2 ASN A 69 14.990 3.617 -4.018 1.00 0.00 N ATOM 0 H ASN A 69 11.268 4.082 -3.759 1.00 0.00 H new ATOM 0 HA ASN A 69 11.935 3.404 -6.469 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.765 2.412 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.336 1.651 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.743 4.304 -4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.976 2.914 -3.280 1.00 0.00 H new ATOM 816 N ASP A 70 9.907 1.497 -4.783 1.00 0.00 N ATOM 817 CA ASP A 70 8.965 0.391 -4.910 1.00 0.00 C ATOM 818 C ASP A 70 7.744 0.798 -5.724 1.00 0.00 C ATOM 819 O ASP A 70 6.916 -0.041 -6.081 1.00 0.00 O ATOM 820 CB ASP A 70 8.525 -0.100 -3.529 1.00 0.00 C ATOM 821 CG ASP A 70 9.644 -0.790 -2.761 1.00 0.00 C ATOM 822 OD1 ASP A 70 10.574 -1.244 -3.384 1.00 0.00 O ATOM 823 OD2 ASP A 70 9.559 -0.855 -1.558 1.00 0.00 O1- ATOM 0 H ASP A 70 9.812 2.035 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 70 9.474 -0.419 -5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.160 0.747 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.690 -0.791 -3.644 1.00 0.00 H new ATOM 828 N ALA A 71 7.636 2.090 -6.015 1.00 0.00 N ATOM 829 CA ALA A 71 6.534 2.606 -6.818 1.00 0.00 C ATOM 830 C ALA A 71 6.643 2.143 -8.265 1.00 0.00 C ATOM 831 O ALA A 71 7.743 1.976 -8.792 1.00 0.00 O ATOM 832 CB ALA A 71 6.495 4.125 -6.750 1.00 0.00 C ATOM 0 H ALA A 71 8.300 2.800 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 71 5.605 2.211 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.667 4.495 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.358 4.439 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.432 4.530 -7.131 1.00 0.00 H new ATOM 838 N PRO A 72 5.496 1.938 -8.903 1.00 0.00 N ATOM 839 CA PRO A 72 5.460 1.455 -10.278 1.00 0.00 C ATOM 840 C PRO A 72 5.844 2.556 -11.259 1.00 0.00 C ATOM 841 O PRO A 72 6.106 2.291 -12.432 1.00 0.00 O ATOM 842 CB PRO A 72 4.000 1.025 -10.455 1.00 0.00 C ATOM 843 CG PRO A 72 3.244 1.904 -9.518 1.00 0.00 C ATOM 844 CD PRO A 72 4.146 2.037 -8.320 1.00 0.00 C ATOM 0 HA PRO A 72 6.166 0.647 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.667 1.160 -11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.863 -0.028 -10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.033 2.875 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.285 1.463 -9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.997 2.987 -7.807 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.964 1.249 -7.589 1.00 0.00 H new ATOM 852 N LYS A 73 5.875 3.791 -10.771 1.00 0.00 N ATOM 853 CA LYS A 73 6.233 4.934 -11.602 1.00 0.00 C ATOM 854 C LYS A 73 7.575 4.716 -12.289 1.00 0.00 C ATOM 855 O LYS A 73 8.586 4.467 -11.633 1.00 0.00 O ATOM 856 CB LYS A 73 6.273 6.214 -10.765 1.00 0.00 C ATOM 857 CG LYS A 73 6.542 7.481 -11.565 1.00 0.00 C ATOM 858 CD LYS A 73 6.440 8.720 -10.689 1.00 0.00 C ATOM 859 CE LYS A 73 6.654 9.991 -11.498 1.00 0.00 C ATOM 860 NZ LYS A 73 6.464 11.215 -10.673 1.00 0.00 N1+ ATOM 0 H LYS A 73 5.656 4.026 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 73 5.468 5.039 -12.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.322 6.323 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.044 6.110 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.536 7.429 -12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.829 7.554 -12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.460 8.751 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.181 8.666 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.660 9.989 -11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.959 10.008 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.552 12.057 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.519 11.197 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.188 11.247 -9.927 1.00 0.00 H new ATOM 874 N PRO A 74 7.578 4.812 -13.615 1.00 0.00 N ATOM 875 CA PRO A 74 8.795 4.623 -14.394 1.00 0.00 C ATOM 876 C PRO A 74 9.896 5.570 -13.933 1.00 0.00 C ATOM 877 O PRO A 74 9.629 6.710 -13.553 1.00 0.00 O ATOM 878 CB PRO A 74 8.342 4.938 -15.823 1.00 0.00 C ATOM 879 CG PRO A 74 6.891 4.596 -15.830 1.00 0.00 C ATOM 880 CD PRO A 74 6.398 5.031 -14.475 1.00 0.00 C ATOM 0 HA PRO A 74 9.221 3.625 -14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.505 5.987 -16.070 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.894 4.348 -16.555 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.364 5.115 -16.630 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.735 3.529 -15.986 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.084 6.075 -14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.542 4.441 -14.147 1.00 0.00 H new ATOM 888 N PRO A 75 11.135 5.091 -13.969 1.00 0.00 N ATOM 889 CA PRO A 75 12.280 5.897 -13.562 1.00 0.00 C ATOM 890 C PRO A 75 12.492 7.071 -14.509 1.00 0.00 C ATOM 891 O PRO A 75 13.081 8.085 -14.135 1.00 0.00 O ATOM 892 CB PRO A 75 13.442 4.902 -13.627 1.00 0.00 C ATOM 893 CG PRO A 75 12.987 3.871 -14.603 1.00 0.00 C ATOM 894 CD PRO A 75 11.510 3.736 -14.343 1.00 0.00 C ATOM 0 HA PRO A 75 12.162 6.348 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.362 5.385 -13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.646 4.463 -12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.183 4.181 -15.629 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.505 2.924 -14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.971 3.394 -15.227 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.301 3.022 -13.546 1.00 0.00 H new ATOM 902 N CYS A 76 12.007 6.928 -15.738 1.00 0.00 N ATOM 903 CA CYS A 76 12.158 7.969 -16.747 1.00 0.00 C ATOM 904 C CYS A 76 11.166 9.103 -16.522 1.00 0.00 C ATOM 905 O CYS A 76 11.220 10.131 -17.196 1.00 0.00 O ATOM 906 CB CYS A 76 11.957 7.393 -18.149 1.00 0.00 C ATOM 907 SG CYS A 76 13.214 6.188 -18.639 1.00 0.00 S ATOM 0 H CYS A 76 11.505 6.100 -16.059 1.00 0.00 H new ATOM 0 HA CYS A 76 13.170 8.365 -16.659 1.00 0.00 H new ATOM 0 HB2 CYS A 76 10.976 6.920 -18.199 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.953 8.211 -18.869 1.00 0.00 H new ATOM 912 N SER A 77 10.259 8.908 -15.570 1.00 0.00 N ATOM 913 CA SER A 77 9.296 9.941 -15.208 1.00 0.00 C ATOM 914 C SER A 77 9.816 10.802 -14.064 1.00 0.00 C ATOM 915 O SER A 77 9.131 11.713 -13.599 1.00 0.00 O ATOM 916 CB SER A 77 7.975 9.308 -14.815 1.00 0.00 C ATOM 917 OG SER A 77 7.403 8.627 -15.898 1.00 0.00 O ATOM 0 H SER A 77 10.171 8.044 -15.035 1.00 0.00 H new ATOM 0 HA SER A 77 9.147 10.581 -16.078 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.131 8.616 -13.987 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.289 10.078 -14.462 1.00 0.00 H new ATOM 0 HG SER A 77 6.553 8.226 -15.620 1.00 0.00 H new ATOM 923 N LEU A 78 11.032 10.509 -13.615 1.00 0.00 N ATOM 924 CA LEU A 78 11.662 11.281 -12.550 1.00 0.00 C ATOM 925 C LEU A 78 12.895 12.016 -13.059 1.00 0.00 C ATOM 926 O LEU A 78 13.507 11.612 -14.047 1.00 0.00 O ATOM 927 CB LEU A 78 12.051 10.360 -11.388 1.00 0.00 C ATOM 928 CG LEU A 78 10.890 9.845 -10.528 1.00 0.00 C ATOM 929 CD1 LEU A 78 10.296 8.599 -11.171 1.00 0.00 C ATOM 930 CD2 LEU A 78 11.390 9.550 -9.122 1.00 0.00 C ATOM 0 H LEU A 78 11.601 9.742 -13.972 1.00 0.00 H new ATOM 0 HA LEU A 78 10.941 12.020 -12.200 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.587 9.502 -11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.747 10.895 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 78 10.110 10.604 -10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.471 8.233 -10.560 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.929 8.844 -12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.062 7.828 -11.246 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.564 9.184 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.173 8.793 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.792 10.462 -8.680 1.00 0.00 H new ATOM 942 N GLU A 79 13.255 13.099 -12.377 1.00 0.00 N ATOM 943 CA GLU A 79 14.361 13.944 -12.811 1.00 0.00 C ATOM 944 C GLU A 79 15.698 13.387 -12.340 1.00 0.00 C ATOM 945 O GLU A 79 15.749 12.540 -11.448 1.00 0.00 O ATOM 946 CB GLU A 79 14.179 15.371 -12.287 1.00 0.00 C ATOM 947 CG GLU A 79 12.962 16.095 -12.845 1.00 0.00 C ATOM 948 CD GLU A 79 12.887 17.533 -12.412 1.00 0.00 C ATOM 949 OE1 GLU A 79 13.782 17.977 -11.734 1.00 0.00 O ATOM 950 OE2 GLU A 79 11.932 18.188 -12.758 1.00 0.00 O1- ATOM 0 H GLU A 79 12.796 13.412 -11.521 1.00 0.00 H new ATOM 0 HA GLU A 79 14.361 13.959 -13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.101 15.339 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.072 15.949 -12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.986 16.049 -13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.058 15.577 -12.524 1.00 0.00 H new ATOM 957 N VAL A 80 16.779 13.867 -12.944 1.00 0.00 N ATOM 958 CA VAL A 80 18.119 13.409 -12.596 1.00 0.00 C ATOM 959 C VAL A 80 18.457 13.746 -11.149 1.00 0.00 C ATOM 960 O VAL A 80 18.292 14.885 -10.712 1.00 0.00 O ATOM 961 CB VAL A 80 19.163 14.053 -13.527 1.00 0.00 C ATOM 962 CG1 VAL A 80 20.571 13.702 -13.072 1.00 0.00 C ATOM 963 CG2 VAL A 80 18.930 13.597 -14.960 1.00 0.00 C ATOM 0 H VAL A 80 16.754 14.574 -13.678 1.00 0.00 H new ATOM 0 HA VAL A 80 18.141 12.326 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 80 19.055 15.137 -13.484 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.296 14.165 -13.741 1.00 0.00 H new ATOM 0 HG12 VAL A 80 20.728 14.069 -12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.700 12.620 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.672 14.056 -15.613 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.019 12.512 -15.016 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.931 13.896 -15.279 1.00 0.00 H new ATOM 973 N ASP A 81 18.931 12.748 -10.410 1.00 0.00 N ATOM 974 CA ASP A 81 19.349 12.950 -9.028 1.00 0.00 C ATOM 975 C ASP A 81 20.504 12.027 -8.662 1.00 0.00 C ATOM 976 O ASP A 81 20.298 10.859 -8.335 1.00 0.00 O ATOM 977 CB ASP A 81 18.177 12.714 -8.073 1.00 0.00 C ATOM 978 CG ASP A 81 18.534 12.986 -6.618 1.00 0.00 C ATOM 979 OD1 ASP A 81 19.692 13.189 -6.339 1.00 0.00 O ATOM 980 OD2 ASP A 81 17.646 12.988 -5.799 1.00 0.00 O1- ATOM 0 H ASP A 81 19.035 11.791 -10.746 1.00 0.00 H new ATOM 0 HA ASP A 81 19.687 13.982 -8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.344 13.354 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.836 11.683 -8.172 1.00 0.00 H new ATOM 985 N TYR A 82 21.721 12.559 -8.719 1.00 0.00 N ATOM 986 CA TYR A 82 22.914 11.775 -8.424 1.00 0.00 C ATOM 987 C TYR A 82 23.502 12.153 -7.071 1.00 0.00 C ATOM 988 O TYR A 82 24.676 11.902 -6.801 1.00 0.00 O ATOM 989 CB TYR A 82 23.960 11.958 -9.526 1.00 0.00 C ATOM 990 CG TYR A 82 24.273 13.405 -9.836 1.00 0.00 C ATOM 991 CD1 TYR A 82 25.216 14.088 -9.082 1.00 0.00 C ATOM 992 CD2 TYR A 82 23.618 14.049 -10.875 1.00 0.00 C ATOM 993 CE1 TYR A 82 25.502 15.409 -9.365 1.00 0.00 C ATOM 994 CE2 TYR A 82 23.904 15.370 -11.159 1.00 0.00 C ATOM 995 CZ TYR A 82 24.842 16.049 -10.408 1.00 0.00 C ATOM 996 OH TYR A 82 25.127 17.366 -10.690 1.00 0.00 O ATOM 0 H TYR A 82 21.906 13.531 -8.967 1.00 0.00 H new ATOM 0 HA TYR A 82 22.623 10.725 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 82 24.879 11.453 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 82 23.607 11.470 -10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 82 25.727 13.586 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 82 22.884 13.517 -11.462 1.00 0.00 H new ATOM 0 HE1 TYR A 82 26.235 15.943 -8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 82 23.394 15.871 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 82 24.581 17.664 -11.448 1.00 0.00 H new ATOM 1006 N GLY A 83 22.677 12.758 -6.222 1.00 0.00 N ATOM 1007 CA GLY A 83 23.090 13.100 -4.866 1.00 0.00 C ATOM 1008 C GLY A 83 23.916 14.380 -4.849 1.00 0.00 C ATOM 1009 O GLY A 83 24.195 14.965 -5.895 1.00 0.00 O ATOM 0 H GLY A 83 21.718 13.021 -6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.210 13.223 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.673 12.282 -4.443 1.00 0.00 H new ATOM 1013 N VAL A 84 24.306 14.810 -3.654 1.00 0.00 N ATOM 1014 CA VAL A 84 25.137 15.999 -3.501 1.00 0.00 C ATOM 1015 C VAL A 84 26.388 15.696 -2.687 1.00 0.00 C ATOM 1016 O VAL A 84 26.854 16.532 -1.912 1.00 0.00 O ATOM 1017 CB VAL A 84 24.339 17.123 -2.812 1.00 0.00 C ATOM 1018 CG1 VAL A 84 23.202 17.594 -3.706 1.00 0.00 C ATOM 1019 CG2 VAL A 84 23.807 16.634 -1.474 1.00 0.00 C ATOM 0 H VAL A 84 24.060 14.353 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 84 25.439 16.322 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 84 25.001 17.970 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.649 18.388 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 84 23.609 17.973 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 84 22.532 16.760 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 84 23.244 17.433 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 84 23.154 15.776 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 84 24.641 16.342 -0.836 1.00 0.00 H new ATOM 1029 N GLY A 85 26.929 14.496 -2.867 1.00 0.00 N ATOM 1030 CA GLY A 85 28.084 14.053 -2.096 1.00 0.00 C ATOM 1031 C GLY A 85 29.385 14.361 -2.826 1.00 0.00 C ATOM 1032 O GLY A 85 29.428 15.229 -3.698 1.00 0.00 O ATOM 0 H GLY A 85 26.585 13.812 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 85 28.085 14.544 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 85 28.012 12.981 -1.912 1.00 0.00 H new ATOM 1036 N ARG A 86 30.444 13.646 -2.464 1.00 0.00 N ATOM 1037 CA ARG A 86 31.761 13.880 -3.044 1.00 0.00 C ATOM 1038 C ARG A 86 32.410 12.574 -3.483 1.00 0.00 C ATOM 1039 O ARG A 86 33.634 12.477 -3.572 1.00 0.00 O ATOM 1040 CB ARG A 86 32.669 14.583 -2.045 1.00 0.00 C ATOM 1041 CG ARG A 86 32.239 15.993 -1.672 1.00 0.00 C ATOM 1042 CD ARG A 86 32.345 16.923 -2.825 1.00 0.00 C ATOM 1043 NE ARG A 86 31.979 18.282 -2.462 1.00 0.00 N ATOM 1044 CZ ARG A 86 30.727 18.777 -2.512 1.00 0.00 C ATOM 1045 NH1 ARG A 86 29.734 18.013 -2.911 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 30.496 20.029 -2.159 1.00 0.00 N ATOM 0 H ARG A 86 30.416 12.898 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 86 31.625 14.515 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 86 32.720 13.982 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 86 33.677 14.623 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 86 31.211 15.976 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 86 32.858 16.357 -0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 86 33.366 16.912 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 86 31.699 16.576 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 86 32.723 18.905 -2.147 1.00 0.00 H new ATOM 0 HH11 ARG A 86 29.912 17.046 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 86 28.786 18.387 -2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 86 31.266 20.622 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 86 29.548 20.403 -2.197 1.00 0.00 H new ATOM 1060 N ALA A 87 31.583 11.571 -3.757 1.00 0.00 N ATOM 1061 CA ALA A 87 32.058 10.327 -4.351 1.00 0.00 C ATOM 1062 C ALA A 87 32.207 10.459 -5.861 1.00 0.00 C ATOM 1063 O ALA A 87 31.741 11.429 -6.458 1.00 0.00 O ATOM 1064 CB ALA A 87 31.113 9.183 -4.010 1.00 0.00 C ATOM 0 H ALA A 87 30.579 11.595 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 87 33.041 10.109 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 87 31.481 8.261 -4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 87 31.062 9.063 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 87 30.119 9.405 -4.397 1.00 0.00 H new ATOM 1070 N ASN A 88 32.860 9.477 -6.474 1.00 0.00 N ATOM 1071 CA ASN A 88 33.072 9.483 -7.916 1.00 0.00 C ATOM 1072 C ASN A 88 32.668 8.152 -8.537 1.00 0.00 C ATOM 1073 O ASN A 88 33.518 7.367 -8.956 1.00 0.00 O ATOM 1074 CB ASN A 88 34.519 9.806 -8.241 1.00 0.00 C ATOM 1075 CG ASN A 88 34.922 11.179 -7.781 1.00 0.00 C ATOM 1076 OD1 ASN A 88 34.525 12.188 -8.375 1.00 0.00 O ATOM 1077 ND2 ASN A 88 35.703 11.237 -6.732 1.00 0.00 N ATOM 0 H ASN A 88 33.252 8.667 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 88 32.439 10.259 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 88 35.167 9.065 -7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 88 34.672 9.728 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 88 36.009 12.142 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 88 36.006 10.378 -6.274 1.00 0.00 H new ATOM 1084 N ILE A 89 31.363 7.904 -8.595 1.00 0.00 N ATOM 1085 CA ILE A 89 30.842 6.684 -9.199 1.00 0.00 C ATOM 1086 C ILE A 89 30.004 6.994 -10.433 1.00 0.00 C ATOM 1087 O ILE A 89 28.875 7.472 -10.324 1.00 0.00 O ATOM 1088 CB ILE A 89 29.993 5.890 -8.188 1.00 0.00 C ATOM 1089 CG1 ILE A 89 30.829 5.529 -6.957 1.00 0.00 C ATOM 1090 CG2 ILE A 89 29.426 4.638 -8.837 1.00 0.00 C ATOM 1091 CD1 ILE A 89 30.022 4.941 -5.822 1.00 0.00 C ATOM 0 H ILE A 89 30.647 8.533 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 89 31.698 6.080 -9.499 1.00 0.00 H new ATOM 0 HB ILE A 89 29.160 6.516 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 89 31.600 4.816 -7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 89 31.340 6.424 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 89 28.829 4.089 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 89 28.798 4.919 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 89 30.243 4.007 -9.186 1.00 0.00 H new ATOM 0 HD11 ILE A 89 30.683 4.711 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 89 29.268 5.660 -5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 89 29.532 4.027 -6.159 1.00 0.00 H new ATOM 1103 N PRO A 90 30.564 6.720 -11.606 1.00 0.00 N ATOM 1104 CA PRO A 90 29.857 6.937 -12.862 1.00 0.00 C ATOM 1105 C PRO A 90 28.554 6.149 -12.904 1.00 0.00 C ATOM 1106 O PRO A 90 28.555 4.924 -12.786 1.00 0.00 O ATOM 1107 CB PRO A 90 30.854 6.436 -13.911 1.00 0.00 C ATOM 1108 CG PRO A 90 32.184 6.592 -13.255 1.00 0.00 C ATOM 1109 CD PRO A 90 31.935 6.233 -11.814 1.00 0.00 C ATOM 0 HA PRO A 90 29.564 7.975 -13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 90 30.662 5.397 -14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.792 7.019 -14.830 1.00 0.00 H new ATOM 0 HG2 PRO A 90 32.929 5.935 -13.705 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.558 7.611 -13.352 1.00 0.00 H new ATOM 0 HD2 PRO A 90 32.017 5.160 -11.642 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.646 6.718 -11.145 1.00 0.00 H new ATOM 1117 N ARG A 91 27.444 6.859 -13.072 1.00 0.00 N ATOM 1118 CA ARG A 91 26.141 6.221 -13.219 1.00 0.00 C ATOM 1119 C ARG A 91 25.277 6.959 -14.234 1.00 0.00 C ATOM 1120 O ARG A 91 25.522 8.125 -14.541 1.00 0.00 O ATOM 1121 CB ARG A 91 25.416 6.171 -11.882 1.00 0.00 C ATOM 1122 CG ARG A 91 26.101 5.334 -10.814 1.00 0.00 C ATOM 1123 CD ARG A 91 25.247 5.174 -9.609 1.00 0.00 C ATOM 1124 NE ARG A 91 24.034 4.426 -9.900 1.00 0.00 N ATOM 1125 CZ ARG A 91 23.949 3.082 -9.911 1.00 0.00 C ATOM 1126 NH1 ARG A 91 25.011 2.353 -9.647 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 22.798 2.495 -10.188 1.00 0.00 N ATOM 0 H ARG A 91 27.420 7.878 -13.110 1.00 0.00 H new ATOM 0 HA ARG A 91 26.312 5.206 -13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 91 25.303 7.189 -11.508 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.413 5.777 -12.044 1.00 0.00 H new ATOM 0 HG2 ARG A 91 26.343 4.352 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 91 27.043 5.804 -10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 91 25.811 4.662 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 91 24.983 6.157 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 91 23.189 4.956 -10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 91 25.900 2.805 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.946 1.335 -9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 91 21.974 3.060 -10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 91 22.734 1.477 -10.196 1.00 0.00 H new ATOM 1141 N TRP A 92 24.266 6.271 -14.753 1.00 0.00 N ATOM 1142 CA TRP A 92 23.461 6.801 -15.848 1.00 0.00 C ATOM 1143 C TRP A 92 22.124 7.329 -15.343 1.00 0.00 C ATOM 1144 O TRP A 92 21.449 6.677 -14.547 1.00 0.00 O ATOM 1145 CB TRP A 92 23.221 5.721 -16.904 1.00 0.00 C ATOM 1146 CG TRP A 92 24.430 5.418 -17.736 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.387 4.484 -17.474 1.00 0.00 C ATOM 1148 CD2 TRP A 92 24.820 6.054 -18.978 1.00 0.00 C ATOM 1149 NE1 TRP A 92 26.341 4.494 -18.460 1.00 0.00 N ATOM 1150 CE2 TRP A 92 26.010 5.448 -19.390 1.00 0.00 C ATOM 1151 CE3 TRP A 92 24.262 7.072 -19.760 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 26.661 5.826 -20.553 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 24.914 7.450 -20.928 1.00 0.00 C ATOM 1154 CH2 TRP A 92 26.082 6.842 -21.314 1.00 0.00 C ATOM 0 H TRP A 92 23.984 5.344 -14.433 1.00 0.00 H new ATOM 0 HA TRP A 92 24.013 7.628 -16.296 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.892 4.807 -16.409 1.00 0.00 H new ATOM 0 HB3 TRP A 92 22.410 6.039 -17.559 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.394 3.830 -16.614 1.00 0.00 H new ATOM 0 HE1 TRP A 92 27.163 3.891 -18.496 1.00 0.00 H new ATOM 0 HE3 TRP A 92 23.343 7.554 -19.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 27.582 5.352 -20.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 24.495 8.234 -21.541 1.00 0.00 H new ATOM 0 HH2 TRP A 92 26.564 7.157 -22.228 1.00 0.00 H new ATOM 1165 N TYR A 93 21.748 8.514 -15.811 1.00 0.00 N ATOM 1166 CA TYR A 93 20.475 9.118 -15.433 1.00 0.00 C ATOM 1167 C TYR A 93 19.738 9.658 -16.652 1.00 0.00 C ATOM 1168 O TYR A 93 20.358 10.127 -17.607 1.00 0.00 O ATOM 1169 CB TYR A 93 20.695 10.233 -14.408 1.00 0.00 C ATOM 1170 CG TYR A 93 21.330 9.761 -13.119 1.00 0.00 C ATOM 1171 CD1 TYR A 93 22.703 9.576 -13.050 1.00 0.00 C ATOM 1172 CD2 TYR A 93 20.540 9.513 -12.007 1.00 0.00 C ATOM 1173 CE1 TYR A 93 23.283 9.144 -11.872 1.00 0.00 C ATOM 1174 CE2 TYR A 93 21.120 9.082 -10.830 1.00 0.00 C ATOM 1175 CZ TYR A 93 22.485 8.898 -10.760 1.00 0.00 C ATOM 1176 OH TYR A 93 23.063 8.469 -9.588 1.00 0.00 O ATOM 0 H TYR A 93 22.307 9.076 -16.453 1.00 0.00 H new ATOM 0 HA TYR A 93 19.857 8.342 -14.981 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.326 11.003 -14.852 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.736 10.699 -14.180 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.318 9.769 -13.916 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.471 9.657 -12.061 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.352 8.998 -11.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.504 8.889 -9.964 1.00 0.00 H new ATOM 0 HH TYR A 93 22.369 8.344 -8.907 1.00 0.00 H new ATOM 1186 N TYR A 94 18.412 9.590 -16.613 1.00 0.00 N ATOM 1187 CA TYR A 94 17.588 10.083 -17.710 1.00 0.00 C ATOM 1188 C TYR A 94 17.266 11.562 -17.535 1.00 0.00 C ATOM 1189 O TYR A 94 16.692 11.967 -16.524 1.00 0.00 O ATOM 1190 CB TYR A 94 16.297 9.269 -17.818 1.00 0.00 C ATOM 1191 CG TYR A 94 15.379 9.723 -18.931 1.00 0.00 C ATOM 1192 CD1 TYR A 94 15.747 9.534 -20.255 1.00 0.00 C ATOM 1193 CD2 TYR A 94 14.169 10.330 -18.628 1.00 0.00 C ATOM 1194 CE1 TYR A 94 14.909 9.949 -21.271 1.00 0.00 C ATOM 1195 CE2 TYR A 94 13.331 10.745 -19.644 1.00 0.00 C ATOM 1196 CZ TYR A 94 13.697 10.557 -20.961 1.00 0.00 C ATOM 1197 OH TYR A 94 12.862 10.970 -21.974 1.00 0.00 O ATOM 0 H TYR A 94 17.885 9.198 -15.833 1.00 0.00 H new ATOM 0 HA TYR A 94 18.156 9.967 -18.633 1.00 0.00 H new ATOM 0 HB2 TYR A 94 16.552 8.221 -17.975 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.761 9.328 -16.871 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.689 9.062 -20.491 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.882 10.478 -17.597 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.194 9.802 -22.302 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.389 11.217 -19.408 1.00 0.00 H new ATOM 0 HH TYR A 94 12.056 11.374 -21.589 1.00 0.00 H new ATOM 1207 N ASP A 95 17.637 12.365 -18.526 1.00 0.00 N ATOM 1208 CA ASP A 95 17.306 13.785 -18.528 1.00 0.00 C ATOM 1209 C ASP A 95 15.927 14.028 -19.128 1.00 0.00 C ATOM 1210 O ASP A 95 15.728 13.871 -20.333 1.00 0.00 O ATOM 1211 CB ASP A 95 18.356 14.580 -19.308 1.00 0.00 C ATOM 1212 CG ASP A 95 18.093 16.079 -19.296 1.00 0.00 C ATOM 1213 OD1 ASP A 95 16.975 16.465 -19.048 1.00 0.00 O ATOM 1214 OD2 ASP A 95 19.012 16.825 -19.535 1.00 0.00 O1- ATOM 0 H ASP A 95 18.168 12.056 -19.340 1.00 0.00 H new ATOM 0 HA ASP A 95 17.297 14.124 -17.492 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.341 14.386 -18.883 1.00 0.00 H new ATOM 0 HB3 ASP A 95 18.378 14.228 -20.339 1.00 0.00 H new ATOM 1219 N THR A 96 14.978 14.411 -18.281 1.00 0.00 N ATOM 1220 CA THR A 96 13.587 14.539 -18.697 1.00 0.00 C ATOM 1221 C THR A 96 13.366 15.817 -19.497 1.00 0.00 C ATOM 1222 O THR A 96 12.388 15.938 -20.234 1.00 0.00 O ATOM 1223 CB THR A 96 12.641 14.521 -17.481 1.00 0.00 C ATOM 1224 OG1 THR A 96 12.926 15.641 -16.633 1.00 0.00 O ATOM 1225 CG2 THR A 96 12.815 13.233 -16.690 1.00 0.00 C ATOM 0 H THR A 96 15.147 14.638 -17.301 1.00 0.00 H new ATOM 0 HA THR A 96 13.361 13.683 -19.333 1.00 0.00 H new ATOM 0 HB THR A 96 11.613 14.580 -17.838 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.226 15.722 -15.951 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.139 13.237 -15.835 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.586 12.380 -17.329 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.844 13.158 -16.339 1.00 0.00 H new ATOM 1233 N ASN A 97 14.281 16.768 -19.346 1.00 0.00 N ATOM 1234 CA ASN A 97 14.166 18.056 -20.021 1.00 0.00 C ATOM 1235 C ASN A 97 14.698 17.980 -21.446 1.00 0.00 C ATOM 1236 O ASN A 97 14.169 18.627 -22.351 1.00 0.00 O ATOM 1237 CB ASN A 97 14.889 19.136 -19.238 1.00 0.00 C ATOM 1238 CG ASN A 97 14.181 19.496 -17.961 1.00 0.00 C ATOM 1239 OD1 ASN A 97 12.965 19.309 -17.837 1.00 0.00 O ATOM 1240 ND2 ASN A 97 14.918 20.010 -17.010 1.00 0.00 N ATOM 0 H ASN A 97 15.111 16.671 -18.762 1.00 0.00 H new ATOM 0 HA ASN A 97 13.108 18.314 -20.071 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.899 18.797 -19.006 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.986 20.027 -19.859 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.492 20.274 -16.122 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.918 20.146 -17.157 1.00 0.00 H new ATOM 1247 N ASN A 98 15.746 17.188 -21.640 1.00 0.00 N ATOM 1248 CA ASN A 98 16.327 16.996 -22.964 1.00 0.00 C ATOM 1249 C ASN A 98 15.954 15.634 -23.537 1.00 0.00 C ATOM 1250 O ASN A 98 16.278 15.323 -24.683 1.00 0.00 O ATOM 1251 CB ASN A 98 17.835 17.159 -22.914 1.00 0.00 C ATOM 1252 CG ASN A 98 18.254 18.578 -22.643 1.00 0.00 C ATOM 1253 OD1 ASN A 98 18.019 19.474 -23.461 1.00 0.00 O ATOM 1254 ND2 ASN A 98 18.870 18.798 -21.510 1.00 0.00 N ATOM 0 H ASN A 98 16.212 16.668 -20.896 1.00 0.00 H new ATOM 0 HA ASN A 98 15.917 17.761 -23.624 1.00 0.00 H new ATOM 0 HB2 ASN A 98 18.242 16.510 -22.139 1.00 0.00 H new ATOM 0 HB3 ASN A 98 18.264 16.832 -23.861 1.00 0.00 H new ATOM 0 HD21 ASN A 98 19.178 19.741 -21.272 1.00 0.00 H new ATOM 0 HD22 ASN A 98 19.042 18.027 -20.865 1.00 0.00 H new ATOM 1261 N ALA A 99 15.272 14.826 -22.732 1.00 0.00 N ATOM 1262 CA ALA A 99 14.804 13.519 -23.177 1.00 0.00 C ATOM 1263 C ALA A 99 15.959 12.664 -23.684 1.00 0.00 C ATOM 1264 O ALA A 99 15.912 12.137 -24.795 1.00 0.00 O ATOM 1265 CB ALA A 99 13.746 13.674 -24.259 1.00 0.00 C ATOM 0 H ALA A 99 15.031 15.054 -21.767 1.00 0.00 H new ATOM 0 HA ALA A 99 14.359 13.012 -22.321 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.407 12.689 -24.580 1.00 0.00 H new ATOM 0 HB2 ALA A 99 12.901 14.237 -23.863 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.171 14.207 -25.110 1.00 0.00 H new ATOM 1271 N THR A 100 16.995 12.532 -22.863 1.00 0.00 N ATOM 1272 CA THR A 100 18.189 11.790 -23.251 1.00 0.00 C ATOM 1273 C THR A 100 18.884 11.190 -22.035 1.00 0.00 C ATOM 1274 O THR A 100 18.765 11.706 -20.923 1.00 0.00 O ATOM 1275 CB THR A 100 19.175 12.689 -24.019 1.00 0.00 C ATOM 1276 OG1 THR A 100 20.267 11.898 -24.506 1.00 0.00 O ATOM 1277 CG2 THR A 100 19.713 13.786 -23.113 1.00 0.00 C ATOM 0 H THR A 100 17.032 12.929 -21.924 1.00 0.00 H new ATOM 0 HA THR A 100 17.867 10.980 -23.906 1.00 0.00 H new ATOM 0 HB THR A 100 18.649 13.148 -24.856 1.00 0.00 H new ATOM 0 HG1 THR A 100 20.893 12.471 -24.996 1.00 0.00 H new ATOM 0 HG21 THR A 100 20.408 14.412 -23.673 1.00 0.00 H new ATOM 0 HG22 THR A 100 18.886 14.397 -22.751 1.00 0.00 H new ATOM 0 HG23 THR A 100 20.231 13.337 -22.266 1.00 0.00 H new ATOM 1285 N CYS A 101 19.609 10.098 -22.253 1.00 0.00 N ATOM 1286 CA CYS A 101 20.332 9.432 -21.176 1.00 0.00 C ATOM 1287 C CYS A 101 21.788 9.877 -21.132 1.00 0.00 C ATOM 1288 O CYS A 101 22.500 9.803 -22.133 1.00 0.00 O ATOM 1289 CB CYS A 101 20.274 7.914 -21.349 1.00 0.00 C ATOM 1290 SG CYS A 101 18.597 7.235 -21.358 1.00 0.00 S ATOM 0 H CYS A 101 19.711 9.655 -23.166 1.00 0.00 H new ATOM 0 HA CYS A 101 19.851 9.710 -20.238 1.00 0.00 H new ATOM 0 HB2 CYS A 101 20.768 7.646 -22.283 1.00 0.00 H new ATOM 0 HB3 CYS A 101 20.840 7.445 -20.544 1.00 0.00 H new ATOM 1295 N GLU A 102 22.224 10.340 -19.965 1.00 0.00 N ATOM 1296 CA GLU A 102 23.579 10.855 -19.804 1.00 0.00 C ATOM 1297 C GLU A 102 24.236 10.291 -18.550 1.00 0.00 C ATOM 1298 O GLU A 102 23.554 9.901 -17.602 1.00 0.00 O ATOM 1299 CB GLU A 102 23.565 12.384 -19.740 1.00 0.00 C ATOM 1300 CG GLU A 102 23.113 13.062 -21.026 1.00 0.00 C ATOM 1301 CD GLU A 102 23.208 14.561 -20.961 1.00 0.00 C ATOM 1302 OE1 GLU A 102 23.540 15.072 -19.918 1.00 0.00 O ATOM 1303 OE2 GLU A 102 22.948 15.196 -21.956 1.00 0.00 O1- ATOM 0 H GLU A 102 21.658 10.369 -19.117 1.00 0.00 H new ATOM 0 HA GLU A 102 24.161 10.538 -20.670 1.00 0.00 H new ATOM 0 HB2 GLU A 102 22.907 12.696 -18.928 1.00 0.00 H new ATOM 0 HB3 GLU A 102 24.567 12.735 -19.491 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.721 12.700 -21.855 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.083 12.777 -21.238 1.00 0.00 H new ATOM 1310 N MET A 103 25.564 10.251 -18.552 1.00 0.00 N ATOM 1311 CA MET A 103 26.318 9.787 -17.393 1.00 0.00 C ATOM 1312 C MET A 103 26.610 10.932 -16.432 1.00 0.00 C ATOM 1313 O MET A 103 27.066 11.999 -16.843 1.00 0.00 O ATOM 1314 CB MET A 103 27.618 9.122 -17.841 1.00 0.00 C ATOM 1315 CG MET A 103 28.481 8.597 -16.703 1.00 0.00 C ATOM 1316 SD MET A 103 29.992 7.801 -17.286 1.00 0.00 S ATOM 1317 CE MET A 103 29.348 6.230 -17.854 1.00 0.00 C ATOM 0 H MET A 103 26.141 10.535 -19.344 1.00 0.00 H new ATOM 0 HA MET A 103 25.710 9.053 -16.864 1.00 0.00 H new ATOM 0 HB2 MET A 103 27.377 8.295 -18.509 1.00 0.00 H new ATOM 0 HB3 MET A 103 28.199 9.841 -18.419 1.00 0.00 H new ATOM 0 HG2 MET A 103 28.742 9.422 -16.040 1.00 0.00 H new ATOM 0 HG3 MET A 103 27.904 7.885 -16.113 1.00 0.00 H new ATOM 0 HE1 MET A 103 30.093 5.451 -17.691 1.00 0.00 H new ATOM 0 HE2 MET A 103 28.442 5.987 -17.300 1.00 0.00 H new ATOM 0 HE3 MET A 103 29.117 6.295 -18.917 1.00 0.00 H new ATOM 1327 N PHE A 104 26.346 10.704 -15.150 1.00 0.00 N ATOM 1328 CA PHE A 104 26.634 11.695 -14.121 1.00 0.00 C ATOM 1329 C PHE A 104 27.505 11.107 -13.018 1.00 0.00 C ATOM 1330 O PHE A 104 27.581 9.888 -12.858 1.00 0.00 O ATOM 1331 CB PHE A 104 25.335 12.234 -13.518 1.00 0.00 C ATOM 1332 CG PHE A 104 24.489 13.005 -14.492 1.00 0.00 C ATOM 1333 CD1 PHE A 104 23.590 12.350 -15.321 1.00 0.00 C ATOM 1334 CD2 PHE A 104 24.592 14.385 -14.582 1.00 0.00 C ATOM 1335 CE1 PHE A 104 22.812 13.059 -16.218 1.00 0.00 C ATOM 1336 CE2 PHE A 104 23.814 15.095 -15.475 1.00 0.00 C ATOM 1337 CZ PHE A 104 22.924 14.430 -16.295 1.00 0.00 C ATOM 0 H PHE A 104 25.932 9.840 -14.799 1.00 0.00 H new ATOM 0 HA PHE A 104 27.178 12.513 -14.593 1.00 0.00 H new ATOM 0 HB2 PHE A 104 24.753 11.399 -13.127 1.00 0.00 H new ATOM 0 HB3 PHE A 104 25.577 12.878 -12.672 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.497 11.275 -15.265 1.00 0.00 H new ATOM 0 HD2 PHE A 104 25.289 14.911 -13.946 1.00 0.00 H new ATOM 0 HE1 PHE A 104 22.116 12.538 -16.859 1.00 0.00 H new ATOM 0 HE2 PHE A 104 23.902 16.170 -15.532 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.317 14.984 -16.996 1.00 0.00 H new ATOM 1347 N THR A 105 28.160 11.979 -12.260 1.00 0.00 N ATOM 1348 CA THR A 105 29.014 11.547 -11.159 1.00 0.00 C ATOM 1349 C THR A 105 28.212 11.371 -9.876 1.00 0.00 C ATOM 1350 O THR A 105 27.832 12.349 -9.231 1.00 0.00 O ATOM 1351 CB THR A 105 30.159 12.549 -10.920 1.00 0.00 C ATOM 1352 OG1 THR A 105 30.957 12.659 -12.106 1.00 0.00 O ATOM 1353 CG2 THR A 105 31.036 12.091 -9.765 1.00 0.00 C ATOM 0 H THR A 105 28.116 12.990 -12.388 1.00 0.00 H new ATOM 0 HA THR A 105 29.441 10.584 -11.440 1.00 0.00 H new ATOM 0 HB THR A 105 29.727 13.519 -10.673 1.00 0.00 H new ATOM 0 HG1 THR A 105 31.684 13.298 -11.953 1.00 0.00 H new ATOM 0 HG21 THR A 105 31.840 12.811 -9.611 1.00 0.00 H new ATOM 0 HG22 THR A 105 30.435 12.018 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 105 31.463 11.115 -9.997 1.00 0.00 H new ATOM 1361 N TYR A 106 27.957 10.120 -9.511 1.00 0.00 N ATOM 1362 CA TYR A 106 27.177 9.814 -8.317 1.00 0.00 C ATOM 1363 C TYR A 106 27.919 10.231 -7.054 1.00 0.00 C ATOM 1364 O TYR A 106 29.049 9.806 -6.817 1.00 0.00 O ATOM 1365 CB TYR A 106 26.840 8.322 -8.266 1.00 0.00 C ATOM 1366 CG TYR A 106 25.943 7.939 -7.109 1.00 0.00 C ATOM 1367 CD1 TYR A 106 24.766 8.637 -6.883 1.00 0.00 C ATOM 1368 CD2 TYR A 106 26.298 6.889 -6.276 1.00 0.00 C ATOM 1369 CE1 TYR A 106 23.947 8.287 -5.827 1.00 0.00 C ATOM 1370 CE2 TYR A 106 25.479 6.538 -5.220 1.00 0.00 C ATOM 1371 CZ TYR A 106 24.308 7.233 -4.994 1.00 0.00 C ATOM 1372 OH TYR A 106 23.493 6.884 -3.943 1.00 0.00 O ATOM 0 H TYR A 106 28.279 9.300 -10.025 1.00 0.00 H new ATOM 0 HA TYR A 106 26.249 10.383 -8.368 1.00 0.00 H new ATOM 0 HB2 TYR A 106 26.356 8.036 -9.200 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.766 7.752 -8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 106 24.490 9.454 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 106 27.214 6.346 -6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 106 23.030 8.829 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 106 25.755 5.720 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 106 22.668 7.412 -3.979 1.00 0.00 H new ATOM 1382 N GLY A 107 27.275 11.066 -6.244 1.00 0.00 N ATOM 1383 CA GLY A 107 27.925 11.661 -5.083 1.00 0.00 C ATOM 1384 C GLY A 107 27.875 10.724 -3.883 1.00 0.00 C ATOM 1385 O GLY A 107 28.660 10.860 -2.945 1.00 0.00 O ATOM 0 H GLY A 107 26.302 11.346 -6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.962 11.893 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 107 27.437 12.603 -4.833 1.00 0.00 H new ATOM 1389 N GLY A 108 26.948 9.774 -3.920 1.00 0.00 N ATOM 1390 CA GLY A 108 26.844 8.764 -2.873 1.00 0.00 C ATOM 1391 C GLY A 108 25.710 9.086 -1.908 1.00 0.00 C ATOM 1392 O GLY A 108 25.526 8.402 -0.901 1.00 0.00 O ATOM 0 H GLY A 108 26.257 9.682 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.675 7.786 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.785 8.705 -2.326 1.00 0.00 H new ATOM 1396 N ILE A 109 24.952 10.131 -2.221 1.00 0.00 N ATOM 1397 CA ILE A 109 23.883 10.592 -1.344 1.00 0.00 C ATOM 1398 C ILE A 109 22.517 10.178 -1.875 1.00 0.00 C ATOM 1399 O ILE A 109 21.936 10.858 -2.721 1.00 0.00 O ATOM 1400 CB ILE A 109 23.928 12.123 -1.181 1.00 0.00 C ATOM 1401 CG1 ILE A 109 25.312 12.567 -0.700 1.00 0.00 C ATOM 1402 CG2 ILE A 109 22.851 12.586 -0.213 1.00 0.00 C ATOM 1403 CD1 ILE A 109 25.719 11.969 0.627 1.00 0.00 C ATOM 0 H ILE A 109 25.059 10.675 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 109 24.038 10.125 -0.371 1.00 0.00 H new ATOM 0 HB ILE A 109 23.737 12.582 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 109 26.052 12.295 -1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 109 25.326 13.654 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 109 22.897 13.670 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 109 21.871 12.299 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 109 23.012 12.121 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.710 12.331 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 109 25.002 12.262 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 109 25.739 10.882 0.545 1.00 0.00 H new ATOM 1415 N THR A 110 22.007 9.058 -1.374 1.00 0.00 N ATOM 1416 CA THR A 110 20.661 8.611 -1.710 1.00 0.00 C ATOM 1417 C THR A 110 20.403 8.716 -3.207 1.00 0.00 C ATOM 1418 O THR A 110 21.234 8.310 -4.020 1.00 0.00 O ATOM 1419 CB THR A 110 19.600 9.424 -0.944 1.00 0.00 C ATOM 1420 OG1 THR A 110 19.605 10.779 -1.410 1.00 0.00 O ATOM 1421 CG2 THR A 110 19.887 9.403 0.549 1.00 0.00 C ATOM 0 H THR A 110 22.507 8.442 -0.733 1.00 0.00 H new ATOM 0 HA THR A 110 20.585 7.565 -1.414 1.00 0.00 H new ATOM 0 HB THR A 110 18.622 8.976 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 110 20.309 10.891 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 110 19.127 9.982 1.074 1.00 0.00 H new ATOM 0 HG22 THR A 110 19.871 8.374 0.908 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.869 9.838 0.737 1.00 0.00 H new ATOM 1429 N GLY A 111 19.247 9.262 -3.567 1.00 0.00 N ATOM 1430 CA GLY A 111 18.851 9.368 -4.966 1.00 0.00 C ATOM 1431 C GLY A 111 17.352 9.157 -5.132 1.00 0.00 C ATOM 1432 O GLY A 111 16.584 9.314 -4.183 1.00 0.00 O ATOM 0 H GLY A 111 18.566 9.639 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 111 19.128 10.349 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 111 19.392 8.629 -5.557 1.00 0.00 H new ATOM 1436 N ASN A 112 16.940 8.801 -6.344 1.00 0.00 N ATOM 1437 CA ASN A 112 15.538 8.515 -6.624 1.00 0.00 C ATOM 1438 C ASN A 112 15.396 7.351 -7.596 1.00 0.00 C ATOM 1439 O ASN A 112 16.373 6.673 -7.914 1.00 0.00 O ATOM 1440 CB ASN A 112 14.839 9.749 -7.164 1.00 0.00 C ATOM 1441 CG ASN A 112 15.423 10.221 -8.467 1.00 0.00 C ATOM 1442 OD1 ASN A 112 16.346 9.601 -9.008 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.902 11.305 -8.981 1.00 0.00 N ATOM 0 H ASN A 112 17.558 8.704 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 112 15.061 8.229 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.780 9.531 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 112 14.906 10.551 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.256 11.672 -9.864 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.141 11.783 -8.499 1.00 0.00 H new ATOM 1450 N LYS A 113 14.174 7.123 -8.065 1.00 0.00 N ATOM 1451 CA LYS A 113 13.895 6.016 -8.971 1.00 0.00 C ATOM 1452 C LYS A 113 14.697 6.142 -10.259 1.00 0.00 C ATOM 1453 O LYS A 113 15.120 5.142 -10.840 1.00 0.00 O ATOM 1454 CB LYS A 113 12.400 5.946 -9.287 1.00 0.00 C ATOM 1455 CG LYS A 113 11.988 4.736 -10.115 1.00 0.00 C ATOM 1456 CD LYS A 113 12.181 3.443 -9.338 1.00 0.00 C ATOM 1457 CE LYS A 113 11.654 2.245 -10.114 1.00 0.00 C ATOM 1458 NZ LYS A 113 11.942 0.961 -9.419 1.00 0.00 N1+ ATOM 0 H LYS A 113 13.360 7.692 -7.832 1.00 0.00 H new ATOM 0 HA LYS A 113 14.195 5.094 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.843 5.937 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.111 6.852 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.943 4.833 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.576 4.703 -11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.240 3.301 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.667 3.512 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.578 2.348 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.104 2.229 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.480 0.180 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.969 0.800 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.579 1.004 -8.446 1.00 0.00 H new ATOM 1472 N ASN A 114 14.905 7.378 -10.702 1.00 0.00 N ATOM 1473 CA ASN A 114 15.733 7.643 -11.872 1.00 0.00 C ATOM 1474 C ASN A 114 17.202 7.360 -11.583 1.00 0.00 C ATOM 1475 O ASN A 114 17.960 8.262 -11.227 1.00 0.00 O ATOM 1476 CB ASN A 114 15.548 9.074 -12.344 1.00 0.00 C ATOM 1477 CG ASN A 114 16.295 9.363 -13.617 1.00 0.00 C ATOM 1478 OD1 ASN A 114 17.223 8.635 -13.986 1.00 0.00 O ATOM 1479 ND2 ASN A 114 15.907 10.413 -14.295 1.00 0.00 N ATOM 0 H ASN A 114 14.511 8.212 -10.267 1.00 0.00 H new ATOM 0 HA ASN A 114 15.413 6.971 -12.668 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.486 9.268 -12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.887 9.757 -11.565 1.00 0.00 H new ATOM 0 HD21 ASN A 114 16.376 10.659 -15.167 1.00 0.00 H new ATOM 0 HD22 ASN A 114 15.136 10.985 -13.952 1.00 0.00 H new ATOM 1486 N ASN A 115 17.598 6.101 -11.739 1.00 0.00 N ATOM 1487 CA ASN A 115 18.970 5.691 -11.465 1.00 0.00 C ATOM 1488 C ASN A 115 19.306 4.384 -12.172 1.00 0.00 C ATOM 1489 O ASN A 115 18.783 3.326 -11.823 1.00 0.00 O ATOM 1490 CB ASN A 115 19.201 5.564 -9.970 1.00 0.00 C ATOM 1491 CG ASN A 115 20.641 5.299 -9.629 1.00 0.00 C ATOM 1492 OD1 ASN A 115 21.441 4.931 -10.497 1.00 0.00 O ATOM 1493 ND2 ASN A 115 20.988 5.478 -8.380 1.00 0.00 N ATOM 0 H ASN A 115 16.988 5.347 -12.054 1.00 0.00 H new ATOM 0 HA ASN A 115 19.634 6.463 -11.854 1.00 0.00 H new ATOM 0 HB2 ASN A 115 18.877 6.480 -9.477 1.00 0.00 H new ATOM 0 HB3 ASN A 115 18.584 4.756 -9.578 1.00 0.00 H new ATOM 0 HD21 ASN A 115 21.952 5.313 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 115 20.295 5.783 -7.697 1.00 0.00 H new ATOM 1500 N PHE A 116 20.181 4.464 -13.169 1.00 0.00 N ATOM 1501 CA PHE A 116 20.413 3.347 -14.076 1.00 0.00 C ATOM 1502 C PHE A 116 21.862 2.880 -14.015 1.00 0.00 C ATOM 1503 O PHE A 116 22.764 3.662 -13.711 1.00 0.00 O ATOM 1504 CB PHE A 116 20.059 3.741 -15.511 1.00 0.00 C ATOM 1505 CG PHE A 116 18.665 4.277 -15.666 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.444 5.635 -15.842 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.571 3.425 -15.634 1.00 0.00 C ATOM 1508 CE1 PHE A 116 17.161 6.129 -15.985 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.288 3.916 -15.777 1.00 0.00 C ATOM 1510 CZ PHE A 116 16.083 5.270 -15.953 1.00 0.00 C ATOM 0 H PHE A 116 20.742 5.292 -13.369 1.00 0.00 H new ATOM 0 HA PHE A 116 19.771 2.525 -13.760 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.768 4.493 -15.857 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.178 2.871 -16.157 1.00 0.00 H new ATOM 0 HD1 PHE A 116 19.284 6.314 -15.868 1.00 0.00 H new ATOM 0 HD2 PHE A 116 17.724 2.365 -15.496 1.00 0.00 H new ATOM 0 HE1 PHE A 116 17.003 7.189 -16.122 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.445 3.241 -15.751 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.080 5.655 -16.065 1.00 0.00 H new ATOM 1520 N GLU A 117 22.080 1.602 -14.305 1.00 0.00 N ATOM 1521 CA GLU A 117 23.425 1.040 -14.331 1.00 0.00 C ATOM 1522 C GLU A 117 24.088 1.261 -15.685 1.00 0.00 C ATOM 1523 O GLU A 117 25.311 1.363 -15.778 1.00 0.00 O ATOM 1524 CB GLU A 117 23.385 -0.455 -14.010 1.00 0.00 C ATOM 1525 CG GLU A 117 22.972 -0.780 -12.581 1.00 0.00 C ATOM 1526 CD GLU A 117 24.020 -0.406 -11.570 1.00 0.00 C ATOM 1527 OE1 GLU A 117 25.182 -0.495 -11.887 1.00 0.00 O ATOM 1528 OE2 GLU A 117 23.658 -0.031 -10.480 1.00 0.00 O1- ATOM 0 H GLU A 117 21.341 0.935 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 117 24.015 1.553 -13.572 1.00 0.00 H new ATOM 0 HB2 GLU A 117 22.692 -0.943 -14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 117 24.371 -0.881 -14.196 1.00 0.00 H new ATOM 0 HG2 GLU A 117 22.046 -0.255 -12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 117 22.763 -1.847 -12.502 1.00 0.00 H new ATOM 1535 N SER A 118 23.273 1.334 -16.732 1.00 0.00 N ATOM 1536 CA SER A 118 23.783 1.414 -18.095 1.00 0.00 C ATOM 1537 C SER A 118 22.894 2.293 -18.966 1.00 0.00 C ATOM 1538 O SER A 118 21.723 2.511 -18.652 1.00 0.00 O ATOM 1539 CB SER A 118 23.883 0.027 -18.698 1.00 0.00 C ATOM 1540 OG SER A 118 22.613 -0.539 -18.869 1.00 0.00 O ATOM 0 H SER A 118 22.255 1.339 -16.662 1.00 0.00 H new ATOM 0 HA SER A 118 24.775 1.864 -18.056 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.394 0.081 -19.660 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.486 -0.612 -18.052 1.00 0.00 H new ATOM 0 HG SER A 118 22.703 -1.433 -19.261 1.00 0.00 H new ATOM 1546 N GLU A 119 23.456 2.795 -20.060 1.00 0.00 N ATOM 1547 CA GLU A 119 22.689 3.568 -21.029 1.00 0.00 C ATOM 1548 C GLU A 119 21.548 2.743 -21.612 1.00 0.00 C ATOM 1549 O GLU A 119 20.429 3.233 -21.762 1.00 0.00 O ATOM 1550 CB GLU A 119 23.599 4.065 -22.155 1.00 0.00 C ATOM 1551 CG GLU A 119 22.895 4.918 -23.202 1.00 0.00 C ATOM 1552 CD GLU A 119 23.821 5.394 -24.286 1.00 0.00 C ATOM 1553 OE1 GLU A 119 25.004 5.186 -24.165 1.00 0.00 O ATOM 1554 OE2 GLU A 119 23.344 5.965 -25.238 1.00 0.00 O1- ATOM 0 H GLU A 119 24.441 2.680 -20.298 1.00 0.00 H new ATOM 0 HA GLU A 119 22.262 4.425 -20.509 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.413 4.644 -21.719 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.050 3.204 -22.649 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.086 4.341 -23.650 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.440 5.780 -22.715 1.00 0.00 H new ATOM 1561 N GLU A 120 21.839 1.489 -21.939 1.00 0.00 N ATOM 1562 CA GLU A 120 20.826 0.578 -22.459 1.00 0.00 C ATOM 1563 C GLU A 120 19.632 0.488 -21.517 1.00 0.00 C ATOM 1564 O GLU A 120 18.485 0.645 -21.936 1.00 0.00 O ATOM 1565 CB GLU A 120 21.422 -0.814 -22.678 1.00 0.00 C ATOM 1566 CG GLU A 120 20.445 -1.834 -23.245 1.00 0.00 C ATOM 1567 CD GLU A 120 21.070 -3.183 -23.467 1.00 0.00 C ATOM 1568 OE1 GLU A 120 22.242 -3.322 -23.212 1.00 0.00 O ATOM 1569 OE2 GLU A 120 20.375 -4.075 -23.893 1.00 0.00 O1- ATOM 0 H GLU A 120 22.769 1.080 -21.853 1.00 0.00 H new ATOM 0 HA GLU A 120 20.481 0.973 -23.414 1.00 0.00 H new ATOM 0 HB2 GLU A 120 22.273 -0.729 -23.354 1.00 0.00 H new ATOM 0 HB3 GLU A 120 21.805 -1.185 -21.728 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.601 -1.938 -22.564 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.048 -1.463 -24.190 1.00 0.00 H new ATOM 1576 N GLU A 121 19.908 0.233 -20.243 1.00 0.00 N ATOM 1577 CA GLU A 121 18.860 0.167 -19.230 1.00 0.00 C ATOM 1578 C GLU A 121 18.012 1.433 -19.232 1.00 0.00 C ATOM 1579 O GLU A 121 16.783 1.368 -19.271 1.00 0.00 O ATOM 1580 CB GLU A 121 19.471 -0.046 -17.844 1.00 0.00 C ATOM 1581 CG GLU A 121 18.452 -0.196 -16.724 1.00 0.00 C ATOM 1582 CD GLU A 121 19.087 -0.317 -15.366 1.00 0.00 C ATOM 1583 OE1 GLU A 121 20.290 -0.250 -15.287 1.00 0.00 O ATOM 1584 OE2 GLU A 121 18.368 -0.477 -14.408 1.00 0.00 O1- ATOM 0 H GLU A 121 20.849 0.068 -19.886 1.00 0.00 H new ATOM 0 HA GLU A 121 18.216 -0.679 -19.472 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.098 -0.937 -17.870 1.00 0.00 H new ATOM 0 HB3 GLU A 121 20.124 0.796 -17.615 1.00 0.00 H new ATOM 0 HG2 GLU A 121 17.783 0.664 -16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 121 17.840 -1.078 -16.913 1.00 0.00 H new ATOM 1591 N CYS A 122 18.675 2.583 -19.190 1.00 0.00 N ATOM 1592 CA CYS A 122 17.984 3.867 -19.223 1.00 0.00 C ATOM 1593 C CYS A 122 16.979 3.923 -20.365 1.00 0.00 C ATOM 1594 O CYS A 122 15.796 4.187 -20.152 1.00 0.00 O ATOM 1595 CB CYS A 122 18.985 5.013 -19.375 1.00 0.00 C ATOM 1596 SG CYS A 122 18.226 6.653 -19.446 1.00 0.00 S ATOM 0 H CYS A 122 19.691 2.653 -19.133 1.00 0.00 H new ATOM 0 HA CYS A 122 17.450 3.974 -18.279 1.00 0.00 H new ATOM 0 HB2 CYS A 122 19.684 4.984 -18.539 1.00 0.00 H new ATOM 0 HB3 CYS A 122 19.567 4.854 -20.283 1.00 0.00 H new ATOM 1601 N LYS A 123 17.456 3.672 -21.580 1.00 0.00 N ATOM 1602 CA LYS A 123 16.634 3.828 -22.774 1.00 0.00 C ATOM 1603 C LYS A 123 15.492 2.819 -22.791 1.00 0.00 C ATOM 1604 O LYS A 123 14.373 3.141 -23.191 1.00 0.00 O ATOM 1605 CB LYS A 123 17.487 3.679 -24.034 1.00 0.00 C ATOM 1606 CG LYS A 123 18.445 4.836 -24.286 1.00 0.00 C ATOM 1607 CD LYS A 123 19.288 4.594 -25.529 1.00 0.00 C ATOM 1608 CE LYS A 123 20.201 5.777 -25.817 1.00 0.00 C ATOM 1609 NZ LYS A 123 21.106 5.514 -26.969 1.00 0.00 N1+ ATOM 0 H LYS A 123 18.409 3.359 -21.763 1.00 0.00 H new ATOM 0 HA LYS A 123 16.204 4.829 -22.755 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.062 2.756 -23.961 1.00 0.00 H new ATOM 0 HB3 LYS A 123 16.827 3.576 -24.895 1.00 0.00 H new ATOM 0 HG2 LYS A 123 17.880 5.761 -24.402 1.00 0.00 H new ATOM 0 HG3 LYS A 123 19.096 4.967 -23.422 1.00 0.00 H new ATOM 0 HD2 LYS A 123 19.887 3.694 -25.395 1.00 0.00 H new ATOM 0 HD3 LYS A 123 18.636 4.418 -26.385 1.00 0.00 H new ATOM 0 HE2 LYS A 123 19.596 6.660 -26.025 1.00 0.00 H new ATOM 0 HE3 LYS A 123 20.796 6.000 -24.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.095 5.612 -26.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.947 4.549 -27.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 20.909 6.197 -27.728 1.00 0.00 H new ATOM 1623 N GLU A 124 15.781 1.598 -22.357 1.00 0.00 N ATOM 1624 CA GLU A 124 14.812 0.511 -22.424 1.00 0.00 C ATOM 1625 C GLU A 124 13.679 0.722 -21.427 1.00 0.00 C ATOM 1626 O GLU A 124 12.525 0.394 -21.706 1.00 0.00 O ATOM 1627 CB GLU A 124 15.496 -0.832 -22.156 1.00 0.00 C ATOM 1628 CG GLU A 124 16.413 -1.304 -23.276 1.00 0.00 C ATOM 1629 CD GLU A 124 15.694 -1.484 -24.584 1.00 0.00 C ATOM 1630 OE1 GLU A 124 14.670 -2.123 -24.594 1.00 0.00 O ATOM 1631 OE2 GLU A 124 16.170 -0.981 -25.575 1.00 0.00 O1- ATOM 0 H GLU A 124 16.681 1.336 -21.954 1.00 0.00 H new ATOM 0 HA GLU A 124 14.390 0.503 -23.429 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.076 -0.754 -21.236 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.730 -1.589 -21.986 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.220 -0.583 -23.407 1.00 0.00 H new ATOM 0 HG3 GLU A 124 16.874 -2.249 -22.988 1.00 0.00 H new ATOM 1638 N THR A 125 14.014 1.270 -20.265 1.00 0.00 N ATOM 1639 CA THR A 125 13.017 1.574 -19.245 1.00 0.00 C ATOM 1640 C THR A 125 12.149 2.755 -19.659 1.00 0.00 C ATOM 1641 O THR A 125 11.000 2.873 -19.231 1.00 0.00 O ATOM 1642 CB THR A 125 13.684 1.872 -17.889 1.00 0.00 C ATOM 1643 OG1 THR A 125 14.639 2.931 -18.046 1.00 0.00 O ATOM 1644 CG2 THR A 125 14.389 0.634 -17.358 1.00 0.00 C ATOM 0 H THR A 125 14.970 1.513 -20.005 1.00 0.00 H new ATOM 0 HA THR A 125 12.384 0.693 -19.140 1.00 0.00 H new ATOM 0 HB THR A 125 12.912 2.171 -17.179 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.759 3.393 -17.190 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.854 0.863 -16.399 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.664 -0.169 -17.226 1.00 0.00 H new ATOM 0 HG23 THR A 125 15.155 0.319 -18.067 1.00 0.00 H new ATOM 1652 N CYS A 126 12.704 3.628 -20.493 1.00 0.00 N ATOM 1653 CA CYS A 126 11.930 4.700 -21.106 1.00 0.00 C ATOM 1654 C CYS A 126 10.980 4.157 -22.167 1.00 0.00 C ATOM 1655 O CYS A 126 9.877 4.672 -22.348 1.00 0.00 O ATOM 1656 CB CYS A 126 12.856 5.737 -21.742 1.00 0.00 C ATOM 1657 SG CYS A 126 13.809 6.706 -20.548 1.00 0.00 S ATOM 0 H CYS A 126 13.688 3.614 -20.760 1.00 0.00 H new ATOM 0 HA CYS A 126 11.344 5.172 -20.317 1.00 0.00 H new ATOM 0 HB2 CYS A 126 13.546 5.228 -22.415 1.00 0.00 H new ATOM 0 HB3 CYS A 126 12.260 6.416 -22.351 1.00 0.00 H new ATOM 1662 N LYS A 127 11.416 3.114 -22.865 1.00 0.00 N ATOM 1663 CA LYS A 127 10.543 2.385 -23.778 1.00 0.00 C ATOM 1664 C LYS A 127 9.408 1.701 -23.028 1.00 0.00 C ATOM 1665 O LYS A 127 8.300 1.568 -23.547 1.00 0.00 O ATOM 1666 CB LYS A 127 11.344 1.354 -24.575 1.00 0.00 C ATOM 1667 CG LYS A 127 12.321 1.954 -25.578 1.00 0.00 C ATOM 1668 CD LYS A 127 13.131 0.872 -26.275 1.00 0.00 C ATOM 1669 CE LYS A 127 14.201 1.473 -27.174 1.00 0.00 C ATOM 1670 NZ LYS A 127 15.053 0.427 -27.802 1.00 0.00 N1+ ATOM 0 H LYS A 127 12.369 2.754 -22.816 1.00 0.00 H new ATOM 0 HA LYS A 127 10.107 3.106 -24.469 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.898 0.725 -23.878 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.649 0.705 -25.107 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.773 2.536 -26.319 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.994 2.642 -25.067 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.599 0.229 -25.530 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.467 0.243 -26.868 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.727 2.070 -27.953 1.00 0.00 H new ATOM 0 HE3 LYS A 127 14.827 2.149 -26.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 15.779 0.880 -28.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 15.513 -0.138 -27.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.463 -0.193 -28.393 1.00 0.00 H new ATOM 1684 N GLY A 128 9.691 1.268 -21.804 1.00 0.00 N ATOM 1685 CA GLY A 128 8.680 0.641 -20.961 1.00 0.00 C ATOM 1686 C GLY A 128 9.104 -0.762 -20.544 1.00 0.00 C ATOM 1687 O GLY A 128 8.269 -1.653 -20.393 1.00 0.00 O ATOM 0 H GLY A 128 10.613 1.340 -21.374 1.00 0.00 H new ATOM 0 HA2 GLY A 128 8.512 1.252 -20.074 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.733 0.593 -21.499 1.00 0.00 H new ATOM 1691 N PHE A 129 10.406 -0.951 -20.360 1.00 0.00 N ATOM 1692 CA PHE A 129 10.935 -2.220 -19.873 1.00 0.00 C ATOM 1693 C PHE A 129 10.558 -2.450 -18.415 1.00 0.00 C ATOM 1694 O PHE A 129 10.787 -1.592 -17.562 1.00 0.00 O ATOM 1695 CB PHE A 129 12.456 -2.258 -20.025 1.00 0.00 C ATOM 1696 CG PHE A 129 13.080 -3.543 -19.560 1.00 0.00 C ATOM 1697 CD1 PHE A 129 13.006 -4.688 -20.340 1.00 0.00 C ATOM 1698 CD2 PHE A 129 13.739 -3.612 -18.343 1.00 0.00 C ATOM 1699 CE1 PHE A 129 13.579 -5.871 -19.914 1.00 0.00 C ATOM 1700 CE2 PHE A 129 14.314 -4.793 -17.915 1.00 0.00 C ATOM 1701 CZ PHE A 129 14.233 -5.924 -18.702 1.00 0.00 C ATOM 0 H PHE A 129 11.115 -0.241 -20.541 1.00 0.00 H new ATOM 0 HA PHE A 129 10.494 -3.016 -20.473 1.00 0.00 H new ATOM 0 HB2 PHE A 129 12.711 -2.099 -21.073 1.00 0.00 H new ATOM 0 HB3 PHE A 129 12.889 -1.431 -19.463 1.00 0.00 H new ATOM 0 HD1 PHE A 129 12.495 -4.654 -21.291 1.00 0.00 H new ATOM 0 HD2 PHE A 129 13.804 -2.731 -17.721 1.00 0.00 H new ATOM 0 HE1 PHE A 129 13.514 -6.755 -20.531 1.00 0.00 H new ATOM 0 HE2 PHE A 129 14.827 -4.831 -16.965 1.00 0.00 H new ATOM 0 HZ PHE A 129 14.681 -6.848 -18.369 1.00 0.00 H new ATOM 1711 N SER A 130 9.980 -3.613 -18.135 1.00 0.00 N ATOM 1712 CA SER A 130 9.572 -3.959 -16.779 1.00 0.00 C ATOM 1713 C SER A 130 9.350 -5.459 -16.636 1.00 0.00 C ATOM 1714 O SER A 130 10.287 -6.193 -16.489 1.00 0.00 O ATOM 1715 CB SER A 130 8.305 -3.213 -16.409 1.00 0.00 C ATOM 1716 OG SER A 130 7.878 -3.558 -15.120 1.00 0.00 O ATOM 0 H SER A 130 9.783 -4.333 -18.830 1.00 0.00 H new ATOM 0 HA SER A 130 10.374 -3.667 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.482 -2.139 -16.462 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.520 -3.442 -17.130 1.00 0.00 H new ATOM 0 HG SER A 130 7.060 -3.063 -14.903 1.00 0.00 H new TER 1722 SER A 130