USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 731 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 62 TYR OH : rot 156:sc= -1.75! USER MOD Set 1.2: A 68 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.16) USER MOD Set 2.1: A 20 THR OG1 : rot 180:sc= -0.831 USER MOD Set 2.2: A 91 HIS : no HE2:sc= 0.999 K(o=0.17,f=-6.1!) USER MOD Set 3.1: A 8 HIS :FLIP no HD1:sc= 0.321 F(o=-1.9,f=0.63) USER MOD Set 3.2: A 9 SER OG : rot 51:sc= 0.305 USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.0651 X(o=-0.099,f=-0.007) USER MOD Set 4.2: A 5 HIS : no HD1:sc= -0.0337 X(o=-0.099,f=-0.007) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.0754 (180deg=-0.143) USER MOD Single : A 4 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 35:sc= 0.0892 USER MOD Single : A 16 HIS : no HD1:sc= -0.525! C(o=-0.52!,f=-6.4!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-3!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -28:sc= 0.233 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00729 USER MOD Single : A 36 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.7!) USER MOD Single : A 37 MET CE :methyl -158:sc= -1.45 (180deg=-1.79) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 1.13 (180deg=1.11) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.164 (180deg=-0.667) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.368 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 167:sc= -0.328 (180deg=-0.67) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 4:sc= 0.165 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 105:sc= 1.2 USER MOD Single : A 83 SER OG : rot 85:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.972 10.456 -19.943 1.00 11.43 N ATOM 2 CA MET A 1 -5.769 11.602 -20.864 1.00 71.20 C ATOM 3 C MET A 1 -4.593 11.358 -21.810 1.00 3.12 C ATOM 4 O MET A 1 -4.515 11.965 -22.877 1.00 44.04 O ATOM 5 CB MET A 1 -5.545 12.903 -20.081 1.00 15.04 C ATOM 6 CG MET A 1 -4.277 12.914 -19.240 1.00 63.15 C ATOM 7 SD MET A 1 -3.977 14.509 -18.455 1.00 13.32 S ATOM 8 CE MET A 1 -2.439 14.173 -17.602 1.00 53.24 C ATOM 0 H1 MET A 1 -6.818 10.624 -19.361 1.00 11.43 H new ATOM 0 H2 MET A 1 -6.099 9.585 -20.496 1.00 11.43 H new ATOM 0 H3 MET A 1 -5.141 10.356 -19.325 1.00 11.43 H new ATOM 0 HA MET A 1 -6.676 11.700 -21.461 1.00 71.20 H new ATOM 0 HB2 MET A 1 -5.509 13.735 -20.784 1.00 15.04 H new ATOM 0 HB3 MET A 1 -6.402 13.074 -19.429 1.00 15.04 H new ATOM 0 HG2 MET A 1 -4.348 12.143 -18.472 1.00 63.15 H new ATOM 0 HG3 MET A 1 -3.425 12.658 -19.870 1.00 63.15 H new ATOM 0 HE1 MET A 1 -2.118 15.066 -17.065 1.00 53.24 H new ATOM 0 HE2 MET A 1 -2.586 13.357 -16.894 1.00 53.24 H new ATOM 0 HE3 MET A 1 -1.675 13.891 -18.327 1.00 53.24 H new ATOM 20 N GLY A 2 -3.676 10.478 -21.426 1.00 63.22 N ATOM 21 CA GLY A 2 -2.544 10.172 -22.279 1.00 11.12 C ATOM 22 C GLY A 2 -1.285 9.915 -21.486 1.00 71.12 C ATOM 23 O GLY A 2 -0.463 9.082 -21.860 1.00 1.25 O ATOM 0 H GLY A 2 -3.696 9.972 -20.541 1.00 63.22 H new ATOM 0 HA2 GLY A 2 -2.775 9.296 -22.885 1.00 11.12 H new ATOM 0 HA3 GLY A 2 -2.375 11.000 -22.967 1.00 11.12 H new ATOM 27 N HIS A 3 -1.130 10.636 -20.386 1.00 4.14 N ATOM 28 CA HIS A 3 0.022 10.456 -19.516 1.00 54.32 C ATOM 29 C HIS A 3 -0.131 9.147 -18.742 1.00 4.41 C ATOM 30 O HIS A 3 -0.882 9.080 -17.772 1.00 63.33 O ATOM 31 CB HIS A 3 0.147 11.646 -18.556 1.00 43.44 C ATOM 32 CG HIS A 3 1.417 11.670 -17.757 1.00 24.42 C ATOM 33 ND1 HIS A 3 2.445 12.552 -18.008 1.00 10.44 N ATOM 34 CD2 HIS A 3 1.811 10.935 -16.690 1.00 23.52 C ATOM 35 CE1 HIS A 3 3.412 12.358 -17.132 1.00 4.21 C ATOM 36 NE2 HIS A 3 3.052 11.382 -16.318 1.00 44.40 N ATOM 0 H HIS A 3 -1.787 11.351 -20.075 1.00 4.14 H new ATOM 0 HA HIS A 3 0.931 10.408 -20.115 1.00 54.32 H new ATOM 0 HB2 HIS A 3 0.077 12.569 -19.131 1.00 43.44 H new ATOM 0 HB3 HIS A 3 -0.699 11.633 -17.869 1.00 43.44 H new ATOM 0 HD2 HIS A 3 1.250 10.142 -16.218 1.00 23.52 H new ATOM 0 HE1 HIS A 3 4.342 12.905 -17.088 1.00 4.21 H new ATOM 0 HE2 HIS A 3 3.606 11.021 -15.541 1.00 44.40 H new ATOM 45 N HIS A 4 0.578 8.116 -19.180 1.00 20.11 N ATOM 46 CA HIS A 4 0.381 6.772 -18.640 1.00 41.03 C ATOM 47 C HIS A 4 0.955 6.637 -17.235 1.00 14.24 C ATOM 48 O HIS A 4 2.026 7.158 -16.928 1.00 0.11 O ATOM 49 CB HIS A 4 0.981 5.703 -19.573 1.00 10.23 C ATOM 50 CG HIS A 4 2.479 5.731 -19.707 1.00 71.24 C ATOM 51 ND1 HIS A 4 3.129 6.356 -20.749 1.00 41.41 N ATOM 52 CD2 HIS A 4 3.452 5.178 -18.938 1.00 13.42 C ATOM 53 CE1 HIS A 4 4.432 6.189 -20.618 1.00 50.40 C ATOM 54 NE2 HIS A 4 4.654 5.480 -19.528 1.00 63.02 N ATOM 0 H HIS A 4 1.293 8.181 -19.905 1.00 20.11 H new ATOM 0 HA HIS A 4 -0.695 6.608 -18.577 1.00 41.03 H new ATOM 0 HB2 HIS A 4 0.684 4.719 -19.209 1.00 10.23 H new ATOM 0 HB3 HIS A 4 0.542 5.822 -20.564 1.00 10.23 H new ATOM 0 HD2 HIS A 4 3.307 4.608 -18.032 1.00 13.42 H new ATOM 0 HE1 HIS A 4 5.188 6.569 -21.289 1.00 50.40 H new ATOM 0 HE2 HIS A 4 5.571 5.201 -19.180 1.00 63.02 H new ATOM 63 N HIS A 5 0.207 5.954 -16.379 1.00 13.20 N ATOM 64 CA HIS A 5 0.667 5.615 -15.038 1.00 3.43 C ATOM 65 C HIS A 5 0.608 4.101 -14.854 1.00 24.04 C ATOM 66 O HIS A 5 -0.224 3.438 -15.472 1.00 42.34 O ATOM 67 CB HIS A 5 -0.191 6.305 -13.965 1.00 33.41 C ATOM 68 CG HIS A 5 -0.053 7.801 -13.920 1.00 13.00 C ATOM 69 ND1 HIS A 5 0.747 8.462 -13.008 1.00 12.31 N ATOM 70 CD2 HIS A 5 -0.642 8.769 -14.664 1.00 13.43 C ATOM 71 CE1 HIS A 5 0.641 9.765 -13.193 1.00 23.13 C ATOM 72 NE2 HIS A 5 -0.190 9.977 -14.192 1.00 71.44 N ATOM 0 H HIS A 5 -0.733 5.620 -16.593 1.00 13.20 H new ATOM 0 HA HIS A 5 1.693 5.964 -14.924 1.00 3.43 H new ATOM 0 HB2 HIS A 5 -1.238 6.055 -14.139 1.00 33.41 H new ATOM 0 HB3 HIS A 5 0.076 5.899 -12.989 1.00 33.41 H new ATOM 0 HD2 HIS A 5 -1.337 8.618 -15.477 1.00 13.43 H new ATOM 0 HE1 HIS A 5 1.150 10.528 -12.622 1.00 23.13 H new ATOM 0 HE2 HIS A 5 -0.456 10.892 -14.557 1.00 71.44 H new ATOM 81 N HIS A 6 1.493 3.566 -14.006 1.00 12.32 N ATOM 82 CA HIS A 6 1.557 2.120 -13.724 1.00 21.35 C ATOM 83 C HIS A 6 2.038 1.339 -14.949 1.00 3.55 C ATOM 84 O HIS A 6 2.448 1.927 -15.950 1.00 41.41 O ATOM 85 CB HIS A 6 0.195 1.559 -13.271 1.00 0.12 C ATOM 86 CG HIS A 6 -0.355 2.166 -12.020 1.00 3.11 C ATOM 87 ND1 HIS A 6 -0.261 1.567 -10.782 1.00 45.40 N ATOM 88 CD2 HIS A 6 -1.049 3.310 -11.828 1.00 42.53 C ATOM 89 CE1 HIS A 6 -0.874 2.320 -9.886 1.00 2.34 C ATOM 90 NE2 HIS A 6 -1.358 3.384 -10.497 1.00 14.44 N ATOM 0 H HIS A 6 2.184 4.116 -13.496 1.00 12.32 H new ATOM 0 HA HIS A 6 2.272 1.996 -12.910 1.00 21.35 H new ATOM 0 HB2 HIS A 6 -0.526 1.705 -14.075 1.00 0.12 H new ATOM 0 HB3 HIS A 6 0.293 0.484 -13.122 1.00 0.12 H new ATOM 0 HD2 HIS A 6 -1.311 4.033 -12.586 1.00 42.53 H new ATOM 0 HE1 HIS A 6 -0.964 2.101 -8.832 1.00 2.34 H new ATOM 0 HE2 HIS A 6 -1.878 4.139 -10.050 1.00 14.44 H new ATOM 99 N HIS A 7 2.009 0.013 -14.836 1.00 13.44 N ATOM 100 CA HIS A 7 2.329 -0.889 -15.942 1.00 14.04 C ATOM 101 C HIS A 7 2.005 -2.317 -15.514 1.00 42.31 C ATOM 102 O HIS A 7 1.954 -2.601 -14.316 1.00 44.33 O ATOM 103 CB HIS A 7 3.802 -0.768 -16.380 1.00 71.53 C ATOM 104 CG HIS A 7 4.803 -1.322 -15.410 1.00 71.13 C ATOM 105 ND1 HIS A 7 5.453 -2.516 -15.610 1.00 75.45 N ATOM 106 CD2 HIS A 7 5.284 -0.827 -14.246 1.00 64.03 C ATOM 107 CE1 HIS A 7 6.289 -2.735 -14.616 1.00 72.22 C ATOM 108 NE2 HIS A 7 6.209 -1.724 -13.772 1.00 43.32 N ATOM 0 H HIS A 7 1.762 -0.469 -13.972 1.00 13.44 H new ATOM 0 HA HIS A 7 1.726 -0.612 -16.807 1.00 14.04 H new ATOM 0 HB2 HIS A 7 3.924 -1.279 -17.335 1.00 71.53 H new ATOM 0 HB3 HIS A 7 4.029 0.284 -16.550 1.00 71.53 H new ATOM 0 HD2 HIS A 7 4.994 0.102 -13.777 1.00 64.03 H new ATOM 0 HE1 HIS A 7 6.931 -3.597 -14.510 1.00 72.22 H new ATOM 0 HE2 HIS A 7 6.746 -1.625 -12.910 1.00 43.32 H new ATOM 117 N HIS A 8 1.784 -3.206 -16.473 1.00 33.52 N ATOM 118 CA HIS A 8 1.353 -4.567 -16.160 1.00 24.52 C ATOM 119 C HIS A 8 2.252 -5.611 -16.820 1.00 21.24 C ATOM 120 O HIS A 8 3.372 -5.298 -17.227 1.00 71.23 O ATOM 121 CB HIS A 8 -0.113 -4.781 -16.578 1.00 43.41 C ATOM 122 CG HIS A 8 -0.431 -4.416 -18.003 1.00 75.31 C ATOM 123 ND1 HIS A 8 0.093 -4.845 -19.176 1.00 11.43 N flip ATOM 124 CD2 HIS A 8 -1.418 -3.519 -18.338 1.00 62.10 C flip ATOM 125 CE1 HIS A 8 -0.582 -4.205 -20.184 1.00 4.42 C flip ATOM 126 NE2 HIS A 8 -1.489 -3.411 -19.651 1.00 52.12 N flip ATOM 0 H HIS A 8 1.894 -3.014 -17.469 1.00 33.52 H new ATOM 0 HA HIS A 8 1.434 -4.695 -15.081 1.00 24.52 H new ATOM 0 HB2 HIS A 8 -0.370 -5.829 -16.422 1.00 43.41 H new ATOM 0 HB3 HIS A 8 -0.752 -4.194 -15.918 1.00 43.41 H new ATOM 0 HD2 HIS A 8 -2.040 -2.985 -17.634 1.00 62.10 H new ATOM 0 HE1 HIS A 8 -0.400 -4.331 -21.241 1.00 4.42 H new ATOM 0 HE2 HIS A 8 -2.136 -2.814 -20.166 1.00 52.12 H new ATOM 135 N SER A 9 1.735 -6.844 -16.908 1.00 11.11 N ATOM 136 CA SER A 9 2.432 -7.986 -17.512 1.00 24.53 C ATOM 137 C SER A 9 3.405 -8.642 -16.535 1.00 25.12 C ATOM 138 O SER A 9 4.331 -8.003 -16.033 1.00 64.25 O ATOM 139 CB SER A 9 3.168 -7.596 -18.799 1.00 41.52 C ATOM 140 OG SER A 9 2.280 -7.028 -19.747 1.00 53.11 O ATOM 0 H SER A 9 0.807 -7.079 -16.556 1.00 11.11 H new ATOM 0 HA SER A 9 1.659 -8.711 -17.767 1.00 24.53 H new ATOM 0 HB2 SER A 9 3.960 -6.884 -18.566 1.00 41.52 H new ATOM 0 HB3 SER A 9 3.647 -8.476 -19.228 1.00 41.52 H new ATOM 0 HG SER A 9 1.757 -6.318 -19.320 1.00 53.11 H new ATOM 146 N HIS A 10 3.157 -9.928 -16.267 1.00 4.21 N ATOM 147 CA HIS A 10 4.050 -10.775 -15.463 1.00 20.12 C ATOM 148 C HIS A 10 3.975 -10.447 -13.977 1.00 3.43 C ATOM 149 O HIS A 10 4.861 -10.817 -13.206 1.00 34.40 O ATOM 150 CB HIS A 10 5.498 -10.686 -15.958 1.00 71.33 C ATOM 151 CG HIS A 10 5.686 -11.237 -17.335 1.00 32.33 C ATOM 152 ND1 HIS A 10 5.749 -12.586 -17.603 1.00 41.10 N ATOM 153 CD2 HIS A 10 5.798 -10.614 -18.529 1.00 65.41 C ATOM 154 CE1 HIS A 10 5.891 -12.768 -18.900 1.00 41.01 C ATOM 155 NE2 HIS A 10 5.922 -11.588 -19.485 1.00 15.34 N ATOM 0 H HIS A 10 2.326 -10.415 -16.603 1.00 4.21 H new ATOM 0 HA HIS A 10 3.702 -11.800 -15.590 1.00 20.12 H new ATOM 0 HB2 HIS A 10 5.816 -9.644 -15.945 1.00 71.33 H new ATOM 0 HB3 HIS A 10 6.145 -11.226 -15.267 1.00 71.33 H new ATOM 0 HD2 HIS A 10 5.791 -9.547 -18.698 1.00 65.41 H new ATOM 0 HE1 HIS A 10 5.969 -13.723 -19.399 1.00 41.01 H new ATOM 0 HE2 HIS A 10 6.022 -11.426 -20.487 1.00 15.34 H new ATOM 164 N GLY A 11 2.906 -9.778 -13.576 1.00 13.52 N ATOM 165 CA GLY A 11 2.676 -9.526 -12.168 1.00 33.05 C ATOM 166 C GLY A 11 1.935 -10.681 -11.523 1.00 52.14 C ATOM 167 O GLY A 11 0.739 -10.586 -11.246 1.00 2.54 O ATOM 0 H GLY A 11 2.192 -9.404 -14.201 1.00 13.52 H new ATOM 0 HA2 GLY A 11 3.629 -9.373 -11.662 1.00 33.05 H new ATOM 0 HA3 GLY A 11 2.101 -8.608 -12.048 1.00 33.05 H new ATOM 171 N ASP A 12 2.643 -11.783 -11.312 1.00 41.14 N ATOM 172 CA ASP A 12 2.039 -12.997 -10.772 1.00 72.23 C ATOM 173 C ASP A 12 2.212 -13.060 -9.261 1.00 21.11 C ATOM 174 O ASP A 12 3.211 -12.571 -8.725 1.00 34.32 O ATOM 175 CB ASP A 12 2.655 -14.242 -11.423 1.00 34.11 C ATOM 176 CG ASP A 12 1.991 -15.524 -10.961 1.00 21.11 C ATOM 177 OD1 ASP A 12 0.906 -15.852 -11.482 1.00 53.33 O ATOM 178 OD2 ASP A 12 2.549 -16.212 -10.080 1.00 3.51 O ATOM 0 H ASP A 12 3.641 -11.862 -11.507 1.00 41.14 H new ATOM 0 HA ASP A 12 0.973 -12.973 -10.999 1.00 72.23 H new ATOM 0 HB2 ASP A 12 2.570 -14.162 -12.507 1.00 34.11 H new ATOM 0 HB3 ASP A 12 3.719 -14.282 -11.189 1.00 34.11 H new ATOM 183 N ASP A 13 1.223 -13.652 -8.587 1.00 10.25 N ATOM 184 CA ASP A 13 1.220 -13.777 -7.126 1.00 0.10 C ATOM 185 C ASP A 13 1.172 -12.388 -6.493 1.00 11.33 C ATOM 186 O ASP A 13 1.690 -12.159 -5.399 1.00 73.30 O ATOM 187 CB ASP A 13 2.455 -14.559 -6.648 1.00 60.05 C ATOM 188 CG ASP A 13 2.219 -15.288 -5.339 1.00 12.22 C ATOM 189 OD1 ASP A 13 1.395 -16.229 -5.326 1.00 74.34 O ATOM 190 OD2 ASP A 13 2.885 -14.962 -4.334 1.00 1.31 O ATOM 0 H ASP A 13 0.403 -14.058 -9.037 1.00 10.25 H new ATOM 0 HA ASP A 13 0.335 -14.333 -6.816 1.00 0.10 H new ATOM 0 HB2 ASP A 13 2.741 -15.280 -7.414 1.00 60.05 H new ATOM 0 HB3 ASP A 13 3.292 -13.871 -6.529 1.00 60.05 H new ATOM 195 N SER A 14 0.511 -11.471 -7.188 1.00 24.54 N ATOM 196 CA SER A 14 0.451 -10.081 -6.774 1.00 40.44 C ATOM 197 C SER A 14 -0.450 -9.902 -5.555 1.00 42.13 C ATOM 198 O SER A 14 -1.595 -10.367 -5.535 1.00 23.34 O ATOM 199 CB SER A 14 -0.043 -9.208 -7.932 1.00 34.41 C ATOM 200 OG SER A 14 -1.314 -9.639 -8.398 1.00 11.01 O ATOM 0 H SER A 14 0.005 -11.672 -8.050 1.00 24.54 H new ATOM 0 HA SER A 14 1.457 -9.769 -6.494 1.00 40.44 H new ATOM 0 HB2 SER A 14 -0.106 -8.170 -7.606 1.00 34.41 H new ATOM 0 HB3 SER A 14 0.677 -9.243 -8.749 1.00 34.41 H new ATOM 0 HG SER A 14 -1.844 -9.970 -7.643 1.00 11.01 H new ATOM 206 N VAL A 15 0.076 -9.231 -4.542 1.00 34.23 N ATOM 207 CA VAL A 15 -0.687 -8.936 -3.341 1.00 10.01 C ATOM 208 C VAL A 15 -1.683 -7.817 -3.613 1.00 34.33 C ATOM 209 O VAL A 15 -1.357 -6.823 -4.264 1.00 43.13 O ATOM 210 CB VAL A 15 0.229 -8.548 -2.160 1.00 73.01 C ATOM 211 CG1 VAL A 15 1.047 -9.746 -1.705 1.00 20.41 C ATOM 212 CG2 VAL A 15 1.143 -7.393 -2.541 1.00 23.20 C ATOM 0 H VAL A 15 1.033 -8.879 -4.529 1.00 34.23 H new ATOM 0 HA VAL A 15 -1.224 -9.843 -3.063 1.00 10.01 H new ATOM 0 HB VAL A 15 -0.402 -8.224 -1.332 1.00 73.01 H new ATOM 0 HG11 VAL A 15 1.687 -9.454 -0.872 1.00 20.41 H new ATOM 0 HG12 VAL A 15 0.377 -10.544 -1.386 1.00 20.41 H new ATOM 0 HG13 VAL A 15 1.665 -10.100 -2.531 1.00 20.41 H new ATOM 0 HG21 VAL A 15 1.779 -7.137 -1.693 1.00 23.20 H new ATOM 0 HG22 VAL A 15 1.766 -7.685 -3.387 1.00 23.20 H new ATOM 0 HG23 VAL A 15 0.540 -6.528 -2.816 1.00 23.20 H new ATOM 222 N HIS A 16 -2.898 -7.997 -3.134 1.00 3.40 N ATOM 223 CA HIS A 16 -3.967 -7.046 -3.384 1.00 62.12 C ATOM 224 C HIS A 16 -4.065 -6.043 -2.239 1.00 71.05 C ATOM 225 O HIS A 16 -4.525 -6.372 -1.144 1.00 32.31 O ATOM 226 CB HIS A 16 -5.292 -7.790 -3.573 1.00 31.22 C ATOM 227 CG HIS A 16 -6.424 -6.922 -4.029 1.00 3.23 C ATOM 228 ND1 HIS A 16 -7.746 -7.215 -3.773 1.00 33.43 N ATOM 229 CD2 HIS A 16 -6.429 -5.772 -4.743 1.00 45.32 C ATOM 230 CE1 HIS A 16 -8.514 -6.286 -4.309 1.00 45.33 C ATOM 231 NE2 HIS A 16 -7.739 -5.400 -4.901 1.00 31.45 N ATOM 0 H HIS A 16 -3.172 -8.798 -2.566 1.00 3.40 H new ATOM 0 HA HIS A 16 -3.746 -6.494 -4.297 1.00 62.12 H new ATOM 0 HB2 HIS A 16 -5.146 -8.589 -4.300 1.00 31.22 H new ATOM 0 HB3 HIS A 16 -5.568 -8.262 -2.630 1.00 31.22 H new ATOM 0 HD2 HIS A 16 -5.563 -5.246 -5.118 1.00 45.32 H new ATOM 0 HE1 HIS A 16 -9.593 -6.257 -4.269 1.00 45.33 H new ATOM 0 HE2 HIS A 16 -8.062 -4.570 -5.398 1.00 31.45 H new ATOM 240 N LEU A 17 -3.627 -4.821 -2.503 1.00 65.02 N ATOM 241 CA LEU A 17 -3.621 -3.768 -1.498 1.00 31.42 C ATOM 242 C LEU A 17 -4.701 -2.739 -1.792 1.00 2.25 C ATOM 243 O LEU A 17 -5.162 -2.615 -2.927 1.00 22.52 O ATOM 244 CB LEU A 17 -2.256 -3.077 -1.456 1.00 24.14 C ATOM 245 CG LEU A 17 -1.094 -3.953 -0.992 1.00 53.44 C ATOM 246 CD1 LEU A 17 0.214 -3.183 -1.074 1.00 43.14 C ATOM 247 CD2 LEU A 17 -1.340 -4.442 0.427 1.00 74.42 C ATOM 0 H LEU A 17 -3.268 -4.532 -3.413 1.00 65.02 H new ATOM 0 HA LEU A 17 -3.822 -4.226 -0.529 1.00 31.42 H new ATOM 0 HB2 LEU A 17 -2.028 -2.698 -2.452 1.00 24.14 H new ATOM 0 HB3 LEU A 17 -2.325 -2.213 -0.795 1.00 24.14 H new ATOM 0 HG LEU A 17 -1.023 -4.820 -1.649 1.00 53.44 H new ATOM 0 HD11 LEU A 17 1.033 -3.820 -0.740 1.00 43.14 H new ATOM 0 HD12 LEU A 17 0.391 -2.875 -2.104 1.00 43.14 H new ATOM 0 HD13 LEU A 17 0.158 -2.301 -0.436 1.00 43.14 H new ATOM 0 HD21 LEU A 17 -0.505 -5.065 0.747 1.00 74.42 H new ATOM 0 HD22 LEU A 17 -1.431 -3.586 1.096 1.00 74.42 H new ATOM 0 HD23 LEU A 17 -2.260 -5.025 0.456 1.00 74.42 H new ATOM 259 N HIS A 18 -5.106 -2.008 -0.764 1.00 15.34 N ATOM 260 CA HIS A 18 -6.092 -0.948 -0.920 1.00 21.23 C ATOM 261 C HIS A 18 -5.541 0.356 -0.365 1.00 2.05 C ATOM 262 O HIS A 18 -5.522 0.559 0.847 1.00 54.03 O ATOM 263 CB HIS A 18 -7.398 -1.292 -0.193 1.00 0.04 C ATOM 264 CG HIS A 18 -8.044 -2.568 -0.639 1.00 44.23 C ATOM 265 ND1 HIS A 18 -8.987 -2.632 -1.642 1.00 23.33 N ATOM 266 CD2 HIS A 18 -7.890 -3.836 -0.191 1.00 14.34 C ATOM 267 CE1 HIS A 18 -9.385 -3.882 -1.789 1.00 73.11 C ATOM 268 NE2 HIS A 18 -8.733 -4.633 -0.924 1.00 63.01 N ATOM 0 H HIS A 18 -4.766 -2.130 0.190 1.00 15.34 H new ATOM 0 HA HIS A 18 -6.303 -0.842 -1.984 1.00 21.23 H new ATOM 0 HB2 HIS A 18 -7.197 -1.357 0.876 1.00 0.04 H new ATOM 0 HB3 HIS A 18 -8.104 -0.474 -0.336 1.00 0.04 H new ATOM 0 HD2 HIS A 18 -7.227 -4.160 0.597 1.00 14.34 H new ATOM 0 HE1 HIS A 18 -10.121 -4.231 -2.498 1.00 73.11 H new ATOM 0 HE2 HIS A 18 -8.838 -5.642 -0.817 1.00 63.01 H new ATOM 277 N ILE A 19 -5.069 1.228 -1.238 1.00 31.55 N ATOM 278 CA ILE A 19 -4.547 2.513 -0.799 1.00 25.13 C ATOM 279 C ILE A 19 -5.691 3.511 -0.639 1.00 2.23 C ATOM 280 O ILE A 19 -6.174 4.091 -1.614 1.00 71.32 O ATOM 281 CB ILE A 19 -3.486 3.069 -1.773 1.00 24.24 C ATOM 282 CG1 ILE A 19 -2.361 2.044 -1.972 1.00 30.51 C ATOM 283 CG2 ILE A 19 -2.920 4.385 -1.252 1.00 35.21 C ATOM 284 CD1 ILE A 19 -1.318 2.473 -2.983 1.00 41.13 C ATOM 0 H ILE A 19 -5.036 1.074 -2.246 1.00 31.55 H new ATOM 0 HA ILE A 19 -4.058 2.361 0.163 1.00 25.13 H new ATOM 0 HB ILE A 19 -3.962 3.257 -2.735 1.00 24.24 H new ATOM 0 HG12 ILE A 19 -1.873 1.863 -1.014 1.00 30.51 H new ATOM 0 HG13 ILE A 19 -2.796 1.097 -2.292 1.00 30.51 H new ATOM 0 HG21 ILE A 19 -2.174 4.762 -1.951 1.00 35.21 H new ATOM 0 HG22 ILE A 19 -3.725 5.113 -1.152 1.00 35.21 H new ATOM 0 HG23 ILE A 19 -2.456 4.222 -0.279 1.00 35.21 H new ATOM 0 HD11 ILE A 19 -0.556 1.699 -3.070 1.00 41.13 H new ATOM 0 HD12 ILE A 19 -1.792 2.626 -3.952 1.00 41.13 H new ATOM 0 HD13 ILE A 19 -0.854 3.403 -2.655 1.00 41.13 H new ATOM 296 N THR A 20 -6.135 3.674 0.594 1.00 65.53 N ATOM 297 CA THR A 20 -7.283 4.512 0.897 1.00 22.13 C ATOM 298 C THR A 20 -6.872 5.960 1.132 1.00 72.35 C ATOM 299 O THR A 20 -6.063 6.257 2.016 1.00 5.55 O ATOM 300 CB THR A 20 -8.026 3.979 2.137 1.00 24.44 C ATOM 301 OG1 THR A 20 -7.088 3.725 3.192 1.00 12.42 O ATOM 302 CG2 THR A 20 -8.786 2.702 1.809 1.00 22.25 C ATOM 0 H THR A 20 -5.713 3.232 1.411 1.00 65.53 H new ATOM 0 HA THR A 20 -7.947 4.480 0.033 1.00 22.13 H new ATOM 0 HB THR A 20 -8.743 4.734 2.458 1.00 24.44 H new ATOM 0 HG1 THR A 20 -7.564 3.388 3.979 1.00 12.42 H new ATOM 0 HG21 THR A 20 -9.302 2.346 2.701 1.00 22.25 H new ATOM 0 HG22 THR A 20 -9.515 2.904 1.024 1.00 22.25 H new ATOM 0 HG23 THR A 20 -8.086 1.940 1.466 1.00 22.25 H new ATOM 310 N HIS A 21 -7.426 6.854 0.331 1.00 21.24 N ATOM 311 CA HIS A 21 -7.161 8.275 0.467 1.00 25.10 C ATOM 312 C HIS A 21 -8.208 8.895 1.397 1.00 70.52 C ATOM 313 O HIS A 21 -9.397 8.633 1.246 1.00 23.03 O ATOM 314 CB HIS A 21 -7.197 8.935 -0.919 1.00 53.25 C ATOM 315 CG HIS A 21 -6.434 10.215 -1.002 1.00 11.12 C ATOM 316 ND1 HIS A 21 -6.783 11.251 -1.837 1.00 44.32 N ATOM 317 CD2 HIS A 21 -5.327 10.622 -0.346 1.00 33.11 C ATOM 318 CE1 HIS A 21 -5.925 12.241 -1.684 1.00 61.31 C ATOM 319 NE2 HIS A 21 -5.029 11.889 -0.782 1.00 31.20 N ATOM 0 H HIS A 21 -8.067 6.618 -0.426 1.00 21.24 H new ATOM 0 HA HIS A 21 -6.173 8.435 0.899 1.00 25.10 H new ATOM 0 HB2 HIS A 21 -6.796 8.236 -1.653 1.00 53.25 H new ATOM 0 HB3 HIS A 21 -8.235 9.124 -1.193 1.00 53.25 H new ATOM 0 HD2 HIS A 21 -4.776 10.054 0.389 1.00 33.11 H new ATOM 0 HE1 HIS A 21 -5.952 13.184 -2.210 1.00 61.31 H new ATOM 0 HE2 HIS A 21 -4.247 12.461 -0.463 1.00 31.20 H new ATOM 328 N ALA A 22 -7.771 9.696 2.364 1.00 5.14 N ATOM 329 CA ALA A 22 -8.687 10.246 3.363 1.00 65.24 C ATOM 330 C ALA A 22 -9.385 11.503 2.855 1.00 34.51 C ATOM 331 O ALA A 22 -10.560 11.730 3.149 1.00 2.15 O ATOM 332 CB ALA A 22 -7.949 10.545 4.656 1.00 34.30 C ATOM 0 H ALA A 22 -6.797 9.978 2.479 1.00 5.14 H new ATOM 0 HA ALA A 22 -9.451 9.493 3.555 1.00 65.24 H new ATOM 0 HB1 ALA A 22 -8.647 10.953 5.387 1.00 34.30 H new ATOM 0 HB2 ALA A 22 -7.511 9.626 5.046 1.00 34.30 H new ATOM 0 HB3 ALA A 22 -7.158 11.270 4.464 1.00 34.30 H new ATOM 338 N ASN A 23 -8.648 12.324 2.115 1.00 61.20 N ATOM 339 CA ASN A 23 -9.201 13.547 1.534 1.00 5.43 C ATOM 340 C ASN A 23 -10.410 13.207 0.671 1.00 44.42 C ATOM 341 O ASN A 23 -11.475 13.816 0.790 1.00 50.43 O ATOM 342 CB ASN A 23 -8.136 14.264 0.697 1.00 14.40 C ATOM 343 CG ASN A 23 -8.404 15.750 0.545 1.00 24.04 C ATOM 344 OD1 ASN A 23 -9.552 16.197 0.549 1.00 2.12 O ATOM 345 ND2 ASN A 23 -7.340 16.529 0.421 1.00 70.02 N ATOM 0 H ASN A 23 -7.663 12.166 1.902 1.00 61.20 H new ATOM 0 HA ASN A 23 -9.515 14.212 2.338 1.00 5.43 H new ATOM 0 HB2 ASN A 23 -7.160 14.122 1.161 1.00 14.40 H new ATOM 0 HB3 ASN A 23 -8.089 13.806 -0.291 1.00 14.40 H new ATOM 0 HD21 ASN A 23 -7.455 17.538 0.324 1.00 70.02 H new ATOM 0 HD22 ASN A 23 -6.406 16.120 0.422 1.00 70.02 H new ATOM 352 N LEU A 24 -10.237 12.216 -0.187 1.00 21.14 N ATOM 353 CA LEU A 24 -11.331 11.682 -0.974 1.00 1.00 C ATOM 354 C LEU A 24 -11.477 10.196 -0.679 1.00 50.32 C ATOM 355 O LEU A 24 -10.766 9.375 -1.255 1.00 13.30 O ATOM 356 CB LEU A 24 -11.112 11.897 -2.483 1.00 75.43 C ATOM 357 CG LEU A 24 -11.214 13.345 -2.984 1.00 15.23 C ATOM 358 CD1 LEU A 24 -9.951 14.132 -2.659 1.00 34.20 C ATOM 359 CD2 LEU A 24 -11.488 13.367 -4.478 1.00 4.01 C ATOM 0 H LEU A 24 -9.339 11.762 -0.356 1.00 21.14 H new ATOM 0 HA LEU A 24 -12.241 12.214 -0.698 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -10.126 11.513 -2.744 1.00 75.43 H new ATOM 0 HB3 LEU A 24 -11.842 11.295 -3.024 1.00 75.43 H new ATOM 0 HG LEU A 24 -12.046 13.824 -2.468 1.00 15.23 H new ATOM 0 HD11 LEU A 24 -10.054 15.153 -3.026 1.00 34.20 H new ATOM 0 HD12 LEU A 24 -9.800 14.148 -1.580 1.00 34.20 H new ATOM 0 HD13 LEU A 24 -9.094 13.659 -3.138 1.00 34.20 H new ATOM 0 HD21 LEU A 24 -11.558 14.400 -4.820 1.00 4.01 H new ATOM 0 HD22 LEU A 24 -10.676 12.865 -5.004 1.00 4.01 H new ATOM 0 HD23 LEU A 24 -12.427 12.852 -4.683 1.00 4.01 H new ATOM 371 N LYS A 25 -12.382 9.859 0.233 1.00 13.14 N ATOM 372 CA LYS A 25 -12.565 8.475 0.665 1.00 72.11 C ATOM 373 C LYS A 25 -13.124 7.617 -0.470 1.00 1.13 C ATOM 374 O LYS A 25 -12.994 6.390 -0.465 1.00 14.33 O ATOM 375 CB LYS A 25 -13.487 8.418 1.887 1.00 24.15 C ATOM 376 CG LYS A 25 -13.629 7.024 2.478 1.00 3.45 C ATOM 377 CD LYS A 25 -14.567 7.006 3.676 1.00 23.01 C ATOM 378 CE LYS A 25 -15.959 7.492 3.305 1.00 42.35 C ATOM 379 NZ LYS A 25 -16.899 7.412 4.452 1.00 60.14 N ATOM 0 H LYS A 25 -13.003 10.527 0.690 1.00 13.14 H new ATOM 0 HA LYS A 25 -11.591 8.072 0.943 1.00 72.11 H new ATOM 0 HB2 LYS A 25 -13.103 9.091 2.653 1.00 24.15 H new ATOM 0 HB3 LYS A 25 -14.473 8.786 1.605 1.00 24.15 H new ATOM 0 HG2 LYS A 25 -14.003 6.343 1.714 1.00 3.45 H new ATOM 0 HG3 LYS A 25 -12.648 6.656 2.780 1.00 3.45 H new ATOM 0 HD2 LYS A 25 -14.629 5.994 4.075 1.00 23.01 H new ATOM 0 HD3 LYS A 25 -14.160 7.636 4.467 1.00 23.01 H new ATOM 0 HE2 LYS A 25 -15.902 8.522 2.954 1.00 42.35 H new ATOM 0 HE3 LYS A 25 -16.344 6.894 2.478 1.00 42.35 H new ATOM 0 HZ1 LYS A 25 -17.836 7.752 4.157 1.00 60.14 H new ATOM 0 HZ2 LYS A 25 -16.974 6.425 4.771 1.00 60.14 H new ATOM 0 HZ3 LYS A 25 -16.546 8.002 5.232 1.00 60.14 H new ATOM 393 N SER A 26 -13.735 8.271 -1.448 1.00 43.33 N ATOM 394 CA SER A 26 -14.248 7.586 -2.623 1.00 23.51 C ATOM 395 C SER A 26 -13.103 7.241 -3.575 1.00 2.21 C ATOM 396 O SER A 26 -13.302 6.574 -4.589 1.00 12.52 O ATOM 397 CB SER A 26 -15.297 8.454 -3.329 1.00 71.14 C ATOM 398 OG SER A 26 -15.953 7.735 -4.362 1.00 15.21 O ATOM 0 H SER A 26 -13.887 9.280 -1.449 1.00 43.33 H new ATOM 0 HA SER A 26 -14.726 6.658 -2.309 1.00 23.51 H new ATOM 0 HB2 SER A 26 -16.032 8.803 -2.603 1.00 71.14 H new ATOM 0 HB3 SER A 26 -14.818 9.339 -3.747 1.00 71.14 H new ATOM 0 HG SER A 26 -15.354 7.042 -4.710 1.00 15.21 H new ATOM 404 N PHE A 27 -11.904 7.695 -3.238 1.00 22.22 N ATOM 405 CA PHE A 27 -10.733 7.407 -4.042 1.00 22.22 C ATOM 406 C PHE A 27 -9.874 6.350 -3.357 1.00 74.43 C ATOM 407 O PHE A 27 -9.029 6.661 -2.513 1.00 72.32 O ATOM 408 CB PHE A 27 -9.921 8.684 -4.294 1.00 41.21 C ATOM 409 CG PHE A 27 -8.717 8.477 -5.173 1.00 52.12 C ATOM 410 CD1 PHE A 27 -8.863 8.277 -6.538 1.00 12.24 C ATOM 411 CD2 PHE A 27 -7.437 8.488 -4.636 1.00 41.33 C ATOM 412 CE1 PHE A 27 -7.758 8.090 -7.347 1.00 24.02 C ATOM 413 CE2 PHE A 27 -6.330 8.302 -5.442 1.00 20.24 C ATOM 414 CZ PHE A 27 -6.490 8.103 -6.798 1.00 64.23 C ATOM 0 H PHE A 27 -11.720 8.264 -2.412 1.00 22.22 H new ATOM 0 HA PHE A 27 -11.060 7.019 -5.007 1.00 22.22 H new ATOM 0 HB2 PHE A 27 -10.569 9.431 -4.752 1.00 41.21 H new ATOM 0 HB3 PHE A 27 -9.594 9.090 -3.337 1.00 41.21 H new ATOM 0 HD1 PHE A 27 -9.851 8.267 -6.973 1.00 12.24 H new ATOM 0 HD2 PHE A 27 -7.305 8.644 -3.576 1.00 41.33 H new ATOM 0 HE1 PHE A 27 -7.886 7.934 -8.408 1.00 24.02 H new ATOM 0 HE2 PHE A 27 -5.340 8.312 -5.011 1.00 20.24 H new ATOM 0 HZ PHE A 27 -5.626 7.958 -7.429 1.00 64.23 H new ATOM 424 N SER A 28 -10.128 5.100 -3.696 1.00 25.02 N ATOM 425 CA SER A 28 -9.343 3.991 -3.194 1.00 24.53 C ATOM 426 C SER A 28 -8.492 3.435 -4.325 1.00 24.33 C ATOM 427 O SER A 28 -9.015 2.846 -5.272 1.00 11.24 O ATOM 428 CB SER A 28 -10.262 2.903 -2.623 1.00 21.32 C ATOM 429 OG SER A 28 -9.524 1.789 -2.147 1.00 21.42 O ATOM 0 H SER A 28 -10.883 4.827 -4.326 1.00 25.02 H new ATOM 0 HA SER A 28 -8.693 4.337 -2.391 1.00 24.53 H new ATOM 0 HB2 SER A 28 -10.857 3.319 -1.810 1.00 21.32 H new ATOM 0 HB3 SER A 28 -10.960 2.575 -3.393 1.00 21.32 H new ATOM 0 HG SER A 28 -10.141 1.117 -1.789 1.00 21.42 H new ATOM 435 N ALA A 29 -7.190 3.651 -4.248 1.00 62.14 N ATOM 436 CA ALA A 29 -6.287 3.176 -5.281 1.00 51.43 C ATOM 437 C ALA A 29 -6.050 1.684 -5.126 1.00 33.25 C ATOM 438 O ALA A 29 -5.289 1.246 -4.259 1.00 12.41 O ATOM 439 CB ALA A 29 -4.977 3.945 -5.248 1.00 63.23 C ATOM 0 H ALA A 29 -6.736 4.151 -3.483 1.00 62.14 H new ATOM 0 HA ALA A 29 -6.748 3.350 -6.253 1.00 51.43 H new ATOM 0 HB1 ALA A 29 -4.316 3.572 -6.031 1.00 63.23 H new ATOM 0 HB2 ALA A 29 -5.173 5.005 -5.413 1.00 63.23 H new ATOM 0 HB3 ALA A 29 -4.501 3.811 -4.277 1.00 63.23 H new ATOM 445 N ASP A 30 -6.745 0.909 -5.947 1.00 24.20 N ATOM 446 CA ASP A 30 -6.623 -0.536 -5.920 1.00 51.43 C ATOM 447 C ASP A 30 -5.269 -0.948 -6.475 1.00 51.13 C ATOM 448 O ASP A 30 -5.002 -0.793 -7.669 1.00 44.41 O ATOM 449 CB ASP A 30 -7.746 -1.180 -6.732 1.00 61.44 C ATOM 450 CG ASP A 30 -7.902 -2.652 -6.429 1.00 45.21 C ATOM 451 OD1 ASP A 30 -8.543 -2.982 -5.410 1.00 21.42 O ATOM 452 OD2 ASP A 30 -7.390 -3.485 -7.203 1.00 52.15 O ATOM 0 H ASP A 30 -7.402 1.263 -6.643 1.00 24.20 H new ATOM 0 HA ASP A 30 -6.704 -0.879 -4.888 1.00 51.43 H new ATOM 0 HB2 ASP A 30 -8.684 -0.667 -6.521 1.00 61.44 H new ATOM 0 HB3 ASP A 30 -7.543 -1.050 -7.795 1.00 61.44 H new ATOM 457 N ALA A 31 -4.408 -1.455 -5.608 1.00 53.33 N ATOM 458 CA ALA A 31 -3.037 -1.739 -5.988 1.00 70.43 C ATOM 459 C ALA A 31 -2.721 -3.222 -5.887 1.00 34.30 C ATOM 460 O ALA A 31 -3.354 -3.961 -5.130 1.00 64.23 O ATOM 461 CB ALA A 31 -2.078 -0.936 -5.124 1.00 51.03 C ATOM 0 H ALA A 31 -4.635 -1.677 -4.639 1.00 53.33 H new ATOM 0 HA ALA A 31 -2.913 -1.446 -7.031 1.00 70.43 H new ATOM 0 HB1 ALA A 31 -1.052 -1.157 -5.418 1.00 51.03 H new ATOM 0 HB2 ALA A 31 -2.273 0.128 -5.257 1.00 51.03 H new ATOM 0 HB3 ALA A 31 -2.221 -1.203 -4.077 1.00 51.03 H new ATOM 467 N ARG A 32 -1.734 -3.644 -6.659 1.00 52.21 N ATOM 468 CA ARG A 32 -1.268 -5.019 -6.644 1.00 3.12 C ATOM 469 C ARG A 32 0.222 -5.062 -6.951 1.00 35.10 C ATOM 470 O ARG A 32 0.664 -4.600 -8.003 1.00 52.44 O ATOM 471 CB ARG A 32 -2.055 -5.868 -7.645 1.00 31.32 C ATOM 472 CG ARG A 32 -2.201 -5.227 -9.014 1.00 61.40 C ATOM 473 CD ARG A 32 -3.030 -6.095 -9.939 1.00 30.03 C ATOM 474 NE ARG A 32 -3.372 -5.403 -11.179 1.00 54.31 N ATOM 475 CZ ARG A 32 -4.417 -5.726 -11.934 1.00 62.11 C ATOM 476 NH1 ARG A 32 -5.231 -6.712 -11.564 1.00 22.23 N ATOM 477 NH2 ARG A 32 -4.660 -5.045 -13.047 1.00 62.23 N ATOM 0 H ARG A 32 -1.234 -3.043 -7.314 1.00 52.21 H new ATOM 0 HA ARG A 32 -1.433 -5.436 -5.651 1.00 3.12 H new ATOM 0 HB2 ARG A 32 -1.560 -6.832 -7.757 1.00 31.32 H new ATOM 0 HB3 ARG A 32 -3.047 -6.065 -7.239 1.00 31.32 H new ATOM 0 HG2 ARG A 32 -2.670 -4.248 -8.912 1.00 61.40 H new ATOM 0 HG3 ARG A 32 -1.215 -5.065 -9.450 1.00 61.40 H new ATOM 0 HD2 ARG A 32 -2.478 -7.006 -10.172 1.00 30.03 H new ATOM 0 HD3 ARG A 32 -3.944 -6.398 -9.429 1.00 30.03 H new ATOM 0 HE ARG A 32 -2.778 -4.631 -11.481 1.00 54.31 H new ATOM 0 HH11 ARG A 32 -5.054 -7.222 -10.699 1.00 22.23 H new ATOM 0 HH12 ARG A 32 -6.032 -6.957 -12.146 1.00 22.23 H new ATOM 0 HH21 ARG A 32 -4.046 -4.278 -13.320 1.00 62.23 H new ATOM 0 HH22 ARG A 32 -5.461 -5.289 -13.630 1.00 62.23 H new ATOM 491 N PHE A 33 0.992 -5.593 -6.017 1.00 23.41 N ATOM 492 CA PHE A 33 2.443 -5.623 -6.148 1.00 12.34 C ATOM 493 C PHE A 33 2.993 -7.000 -5.796 1.00 25.25 C ATOM 494 O PHE A 33 2.239 -7.954 -5.620 1.00 32.53 O ATOM 495 CB PHE A 33 3.087 -4.561 -5.249 1.00 42.44 C ATOM 496 CG PHE A 33 2.809 -3.148 -5.682 1.00 51.20 C ATOM 497 CD1 PHE A 33 3.576 -2.553 -6.671 1.00 41.34 C ATOM 498 CD2 PHE A 33 1.784 -2.415 -5.104 1.00 3.30 C ATOM 499 CE1 PHE A 33 3.326 -1.257 -7.075 1.00 61.15 C ATOM 500 CE2 PHE A 33 1.530 -1.119 -5.504 1.00 62.44 C ATOM 501 CZ PHE A 33 2.301 -0.539 -6.492 1.00 41.31 C ATOM 0 H PHE A 33 0.638 -6.011 -5.157 1.00 23.41 H new ATOM 0 HA PHE A 33 2.689 -5.405 -7.187 1.00 12.34 H new ATOM 0 HB2 PHE A 33 2.727 -4.696 -4.229 1.00 42.44 H new ATOM 0 HB3 PHE A 33 4.165 -4.720 -5.230 1.00 42.44 H new ATOM 0 HD1 PHE A 33 4.379 -3.110 -7.131 1.00 41.34 H new ATOM 0 HD2 PHE A 33 1.177 -2.864 -4.331 1.00 3.30 H new ATOM 0 HE1 PHE A 33 3.932 -0.805 -7.847 1.00 61.15 H new ATOM 0 HE2 PHE A 33 0.729 -0.559 -5.045 1.00 62.44 H new ATOM 0 HZ PHE A 33 2.103 0.474 -6.808 1.00 41.31 H new ATOM 511 N SER A 34 4.305 -7.093 -5.694 1.00 61.42 N ATOM 512 CA SER A 34 4.960 -8.351 -5.382 1.00 31.53 C ATOM 513 C SER A 34 5.220 -8.463 -3.880 1.00 35.40 C ATOM 514 O SER A 34 5.408 -7.452 -3.200 1.00 64.54 O ATOM 515 CB SER A 34 6.272 -8.449 -6.160 1.00 40.11 C ATOM 516 OG SER A 34 7.052 -7.280 -5.986 1.00 34.23 O ATOM 0 H SER A 34 4.943 -6.307 -5.823 1.00 61.42 H new ATOM 0 HA SER A 34 4.308 -9.174 -5.674 1.00 31.53 H new ATOM 0 HB2 SER A 34 6.835 -9.320 -5.823 1.00 40.11 H new ATOM 0 HB3 SER A 34 6.061 -8.596 -7.219 1.00 40.11 H new ATOM 0 HG SER A 34 7.887 -7.366 -6.491 1.00 34.23 H new ATOM 522 N PRO A 35 5.220 -9.691 -3.336 1.00 62.34 N ATOM 523 CA PRO A 35 5.496 -9.930 -1.913 1.00 14.33 C ATOM 524 C PRO A 35 6.913 -9.517 -1.511 1.00 44.20 C ATOM 525 O PRO A 35 7.214 -9.365 -0.327 1.00 2.41 O ATOM 526 CB PRO A 35 5.313 -11.446 -1.752 1.00 33.43 C ATOM 527 CG PRO A 35 4.517 -11.867 -2.939 1.00 65.13 C ATOM 528 CD PRO A 35 4.917 -10.943 -4.050 1.00 44.43 C ATOM 0 HA PRO A 35 4.838 -9.341 -1.274 1.00 14.33 H new ATOM 0 HB2 PRO A 35 6.275 -11.958 -1.720 1.00 33.43 H new ATOM 0 HB3 PRO A 35 4.794 -11.684 -0.824 1.00 33.43 H new ATOM 0 HG2 PRO A 35 4.724 -12.905 -3.200 1.00 65.13 H new ATOM 0 HG3 PRO A 35 3.448 -11.796 -2.738 1.00 65.13 H new ATOM 0 HD2 PRO A 35 5.783 -11.317 -4.596 1.00 44.43 H new ATOM 0 HD3 PRO A 35 4.115 -10.811 -4.776 1.00 44.43 H new ATOM 536 N GLN A 36 7.773 -9.328 -2.506 1.00 42.10 N ATOM 537 CA GLN A 36 9.150 -8.907 -2.269 1.00 74.51 C ATOM 538 C GLN A 36 9.211 -7.414 -1.951 1.00 5.02 C ATOM 539 O GLN A 36 10.225 -6.914 -1.468 1.00 42.53 O ATOM 540 CB GLN A 36 10.018 -9.207 -3.496 1.00 42.24 C ATOM 541 CG GLN A 36 10.085 -10.683 -3.872 1.00 41.31 C ATOM 542 CD GLN A 36 10.828 -11.536 -2.858 1.00 53.12 C ATOM 543 OE1 GLN A 36 10.824 -11.264 -1.657 1.00 34.05 O ATOM 544 NE2 GLN A 36 11.476 -12.583 -3.344 1.00 51.23 N ATOM 0 H GLN A 36 7.539 -9.461 -3.490 1.00 42.10 H new ATOM 0 HA GLN A 36 9.532 -9.465 -1.414 1.00 74.51 H new ATOM 0 HB2 GLN A 36 9.631 -8.645 -4.346 1.00 42.24 H new ATOM 0 HB3 GLN A 36 11.029 -8.846 -3.308 1.00 42.24 H new ATOM 0 HG2 GLN A 36 9.071 -11.067 -3.984 1.00 41.31 H new ATOM 0 HG3 GLN A 36 10.572 -10.780 -4.842 1.00 41.31 H new ATOM 0 HE21 GLN A 36 11.456 -12.776 -4.345 1.00 51.23 H new ATOM 0 HE22 GLN A 36 11.996 -13.197 -2.717 1.00 51.23 H new ATOM 553 N MET A 37 8.121 -6.713 -2.228 1.00 21.22 N ATOM 554 CA MET A 37 8.050 -5.279 -1.996 1.00 34.31 C ATOM 555 C MET A 37 8.095 -4.965 -0.505 1.00 1.32 C ATOM 556 O MET A 37 7.310 -5.499 0.283 1.00 62.22 O ATOM 557 CB MET A 37 6.773 -4.700 -2.609 1.00 14.15 C ATOM 558 CG MET A 37 6.591 -3.212 -2.351 1.00 1.12 C ATOM 559 SD MET A 37 5.038 -2.579 -3.012 1.00 25.35 S ATOM 560 CE MET A 37 5.104 -0.873 -2.466 1.00 12.02 C ATOM 0 H MET A 37 7.269 -7.118 -2.616 1.00 21.22 H new ATOM 0 HA MET A 37 8.915 -4.820 -2.474 1.00 34.31 H new ATOM 0 HB2 MET A 37 6.786 -4.874 -3.685 1.00 14.15 H new ATOM 0 HB3 MET A 37 5.913 -5.237 -2.209 1.00 14.15 H new ATOM 0 HG2 MET A 37 6.627 -3.026 -1.278 1.00 1.12 H new ATOM 0 HG3 MET A 37 7.421 -2.665 -2.798 1.00 1.12 H new ATOM 0 HE1 MET A 37 4.096 -0.460 -2.441 1.00 12.02 H new ATOM 0 HE2 MET A 37 5.540 -0.827 -1.468 1.00 12.02 H new ATOM 0 HE3 MET A 37 5.716 -0.293 -3.157 1.00 12.02 H new ATOM 570 N SER A 38 9.028 -4.110 -0.128 1.00 60.35 N ATOM 571 CA SER A 38 9.150 -3.658 1.242 1.00 12.31 C ATOM 572 C SER A 38 8.678 -2.214 1.358 1.00 3.44 C ATOM 573 O SER A 38 8.487 -1.531 0.345 1.00 5.54 O ATOM 574 CB SER A 38 10.605 -3.772 1.691 1.00 52.15 C ATOM 575 OG SER A 38 11.459 -3.037 0.827 1.00 11.15 O ATOM 0 H SER A 38 9.720 -3.711 -0.763 1.00 60.35 H new ATOM 0 HA SER A 38 8.528 -4.282 1.883 1.00 12.31 H new ATOM 0 HB2 SER A 38 10.706 -3.401 2.711 1.00 52.15 H new ATOM 0 HB3 SER A 38 10.906 -4.820 1.702 1.00 52.15 H new ATOM 0 HG SER A 38 12.386 -3.122 1.133 1.00 11.15 H new ATOM 581 N VAL A 39 8.502 -1.743 2.584 1.00 30.20 N ATOM 582 CA VAL A 39 8.121 -0.358 2.817 1.00 71.51 C ATOM 583 C VAL A 39 9.290 0.560 2.469 1.00 73.31 C ATOM 584 O VAL A 39 9.100 1.678 1.993 1.00 5.24 O ATOM 585 CB VAL A 39 7.686 -0.127 4.278 1.00 55.54 C ATOM 586 CG1 VAL A 39 7.235 1.311 4.496 1.00 21.51 C ATOM 587 CG2 VAL A 39 6.580 -1.100 4.658 1.00 43.15 C ATOM 0 H VAL A 39 8.617 -2.299 3.432 1.00 30.20 H new ATOM 0 HA VAL A 39 7.269 -0.129 2.177 1.00 71.51 H new ATOM 0 HB VAL A 39 8.547 -0.307 4.922 1.00 55.54 H new ATOM 0 HG11 VAL A 39 6.934 1.444 5.535 1.00 21.51 H new ATOM 0 HG12 VAL A 39 8.057 1.989 4.266 1.00 21.51 H new ATOM 0 HG13 VAL A 39 6.391 1.530 3.843 1.00 21.51 H new ATOM 0 HG21 VAL A 39 6.282 -0.926 5.692 1.00 43.15 H new ATOM 0 HG22 VAL A 39 5.722 -0.949 4.003 1.00 43.15 H new ATOM 0 HG23 VAL A 39 6.943 -2.122 4.552 1.00 43.15 H new ATOM 597 N GLU A 40 10.503 0.063 2.692 1.00 54.02 N ATOM 598 CA GLU A 40 11.713 0.778 2.305 1.00 5.45 C ATOM 599 C GLU A 40 11.681 1.096 0.814 1.00 0.34 C ATOM 600 O GLU A 40 11.985 2.215 0.396 1.00 13.03 O ATOM 601 CB GLU A 40 12.952 -0.063 2.622 1.00 14.11 C ATOM 602 CG GLU A 40 14.258 0.592 2.201 1.00 32.15 C ATOM 603 CD GLU A 40 15.448 -0.320 2.381 1.00 52.02 C ATOM 604 OE1 GLU A 40 16.005 -0.361 3.499 1.00 20.31 O ATOM 605 OE2 GLU A 40 15.831 -1.000 1.406 1.00 60.01 O ATOM 0 H GLU A 40 10.673 -0.837 3.141 1.00 54.02 H new ATOM 0 HA GLU A 40 11.760 1.709 2.871 1.00 5.45 H new ATOM 0 HB2 GLU A 40 12.983 -0.259 3.694 1.00 14.11 H new ATOM 0 HB3 GLU A 40 12.863 -1.028 2.124 1.00 14.11 H new ATOM 0 HG2 GLU A 40 14.189 0.892 1.155 1.00 32.15 H new ATOM 0 HG3 GLU A 40 14.409 1.500 2.784 1.00 32.15 H new ATOM 612 N ALA A 41 11.291 0.101 0.026 1.00 32.53 N ATOM 613 CA ALA A 41 11.249 0.230 -1.422 1.00 52.51 C ATOM 614 C ALA A 41 10.318 1.354 -1.868 1.00 33.14 C ATOM 615 O ALA A 41 10.694 2.178 -2.699 1.00 60.44 O ATOM 616 CB ALA A 41 10.828 -1.090 -2.056 1.00 13.24 C ATOM 0 H ALA A 41 10.997 -0.812 0.372 1.00 32.53 H new ATOM 0 HA ALA A 41 12.254 0.486 -1.759 1.00 52.51 H new ATOM 0 HB1 ALA A 41 10.800 -0.980 -3.140 1.00 13.24 H new ATOM 0 HB2 ALA A 41 11.544 -1.867 -1.788 1.00 13.24 H new ATOM 0 HB3 ALA A 41 9.838 -1.368 -1.694 1.00 13.24 H new ATOM 622 N VAL A 42 9.115 1.403 -1.301 1.00 31.51 N ATOM 623 CA VAL A 42 8.126 2.389 -1.725 1.00 43.24 C ATOM 624 C VAL A 42 8.511 3.804 -1.280 1.00 42.22 C ATOM 625 O VAL A 42 8.360 4.756 -2.047 1.00 14.04 O ATOM 626 CB VAL A 42 6.698 2.033 -1.236 1.00 71.23 C ATOM 627 CG1 VAL A 42 6.608 2.006 0.281 1.00 50.13 C ATOM 628 CG2 VAL A 42 5.678 2.999 -1.819 1.00 73.25 C ATOM 0 H VAL A 42 8.804 0.780 -0.556 1.00 31.51 H new ATOM 0 HA VAL A 42 8.116 2.367 -2.815 1.00 43.24 H new ATOM 0 HB VAL A 42 6.471 1.028 -1.591 1.00 71.23 H new ATOM 0 HG11 VAL A 42 5.591 1.753 0.581 1.00 50.13 H new ATOM 0 HG12 VAL A 42 7.299 1.259 0.673 1.00 50.13 H new ATOM 0 HG13 VAL A 42 6.870 2.987 0.679 1.00 50.13 H new ATOM 0 HG21 VAL A 42 4.682 2.734 -1.465 1.00 73.25 H new ATOM 0 HG22 VAL A 42 5.917 4.015 -1.503 1.00 73.25 H new ATOM 0 HG23 VAL A 42 5.703 2.942 -2.907 1.00 73.25 H new ATOM 638 N LYS A 43 9.039 3.938 -0.061 1.00 32.34 N ATOM 639 CA LYS A 43 9.471 5.241 0.446 1.00 10.11 C ATOM 640 C LYS A 43 10.537 5.833 -0.464 1.00 54.22 C ATOM 641 O LYS A 43 10.490 7.009 -0.824 1.00 52.32 O ATOM 642 CB LYS A 43 10.043 5.121 1.863 1.00 70.23 C ATOM 643 CG LYS A 43 9.064 4.586 2.894 1.00 65.31 C ATOM 644 CD LYS A 43 9.709 4.471 4.269 1.00 75.22 C ATOM 645 CE LYS A 43 10.966 3.616 4.224 1.00 73.33 C ATOM 646 NZ LYS A 43 11.583 3.452 5.565 1.00 74.53 N ATOM 0 H LYS A 43 9.177 3.165 0.589 1.00 32.34 H new ATOM 0 HA LYS A 43 8.597 5.892 0.469 1.00 10.11 H new ATOM 0 HB2 LYS A 43 10.915 4.468 1.835 1.00 70.23 H new ATOM 0 HB3 LYS A 43 10.390 6.103 2.185 1.00 70.23 H new ATOM 0 HG2 LYS A 43 8.198 5.245 2.951 1.00 65.31 H new ATOM 0 HG3 LYS A 43 8.700 3.608 2.579 1.00 65.31 H new ATOM 0 HD2 LYS A 43 9.957 5.465 4.640 1.00 75.22 H new ATOM 0 HD3 LYS A 43 8.997 4.037 4.971 1.00 75.22 H new ATOM 0 HE2 LYS A 43 10.721 2.635 3.816 1.00 73.33 H new ATOM 0 HE3 LYS A 43 11.689 4.071 3.547 1.00 73.33 H new ATOM 0 HZ1 LYS A 43 12.604 3.287 5.459 1.00 74.53 H new ATOM 0 HZ2 LYS A 43 11.427 4.313 6.126 1.00 74.53 H new ATOM 0 HZ3 LYS A 43 11.150 2.640 6.049 1.00 74.53 H new ATOM 660 N GLU A 44 11.496 4.997 -0.832 1.00 75.25 N ATOM 661 CA GLU A 44 12.607 5.411 -1.670 1.00 42.44 C ATOM 662 C GLU A 44 12.146 5.660 -3.104 1.00 51.41 C ATOM 663 O GLU A 44 12.630 6.572 -3.777 1.00 71.22 O ATOM 664 CB GLU A 44 13.689 4.334 -1.643 1.00 73.05 C ATOM 665 CG GLU A 44 14.924 4.672 -2.454 1.00 24.11 C ATOM 666 CD GLU A 44 15.994 3.619 -2.310 1.00 51.34 C ATOM 667 OE1 GLU A 44 16.745 3.667 -1.316 1.00 74.53 O ATOM 668 OE2 GLU A 44 16.086 2.735 -3.188 1.00 14.42 O ATOM 0 H GLU A 44 11.525 4.015 -0.558 1.00 75.25 H new ATOM 0 HA GLU A 44 13.012 6.345 -1.281 1.00 42.44 H new ATOM 0 HB2 GLU A 44 13.985 4.158 -0.609 1.00 73.05 H new ATOM 0 HB3 GLU A 44 13.267 3.401 -2.017 1.00 73.05 H new ATOM 0 HG2 GLU A 44 14.652 4.773 -3.505 1.00 24.11 H new ATOM 0 HG3 GLU A 44 15.317 5.636 -2.132 1.00 24.11 H new ATOM 675 N LYS A 45 11.199 4.853 -3.561 1.00 35.22 N ATOM 676 CA LYS A 45 10.710 4.940 -4.932 1.00 21.03 C ATOM 677 C LYS A 45 9.950 6.243 -5.160 1.00 13.31 C ATOM 678 O LYS A 45 9.988 6.814 -6.254 1.00 55.33 O ATOM 679 CB LYS A 45 9.821 3.739 -5.248 1.00 0.14 C ATOM 680 CG LYS A 45 9.634 3.488 -6.734 1.00 34.53 C ATOM 681 CD LYS A 45 8.959 2.150 -6.987 1.00 32.22 C ATOM 682 CE LYS A 45 8.999 1.776 -8.459 1.00 13.05 C ATOM 683 NZ LYS A 45 10.390 1.746 -8.985 1.00 71.41 N ATOM 0 H LYS A 45 10.752 4.127 -3.001 1.00 35.22 H new ATOM 0 HA LYS A 45 11.568 4.931 -5.604 1.00 21.03 H new ATOM 0 HB2 LYS A 45 10.253 2.849 -4.790 1.00 0.14 H new ATOM 0 HB3 LYS A 45 8.844 3.891 -4.789 1.00 0.14 H new ATOM 0 HG2 LYS A 45 9.034 4.288 -7.168 1.00 34.53 H new ATOM 0 HG3 LYS A 45 10.603 3.509 -7.233 1.00 34.53 H new ATOM 0 HD2 LYS A 45 9.453 1.375 -6.400 1.00 32.22 H new ATOM 0 HD3 LYS A 45 7.923 2.194 -6.650 1.00 32.22 H new ATOM 0 HE2 LYS A 45 8.537 0.799 -8.598 1.00 13.05 H new ATOM 0 HE3 LYS A 45 8.409 2.492 -9.032 1.00 13.05 H new ATOM 0 HZ1 LYS A 45 10.430 1.137 -9.827 1.00 71.41 H new ATOM 0 HZ2 LYS A 45 10.685 2.710 -9.241 1.00 71.41 H new ATOM 0 HZ3 LYS A 45 11.029 1.370 -8.256 1.00 71.41 H new ATOM 697 N LEU A 46 9.271 6.717 -4.123 1.00 3.42 N ATOM 698 CA LEU A 46 8.550 7.981 -4.190 1.00 23.24 C ATOM 699 C LEU A 46 9.523 9.151 -4.064 1.00 52.23 C ATOM 700 O LEU A 46 9.283 10.241 -4.591 1.00 1.22 O ATOM 701 CB LEU A 46 7.492 8.049 -3.088 1.00 11.43 C ATOM 702 CG LEU A 46 6.413 6.965 -3.156 1.00 13.24 C ATOM 703 CD1 LEU A 46 5.452 7.098 -1.986 1.00 13.24 C ATOM 704 CD2 LEU A 46 5.662 7.042 -4.478 1.00 25.31 C ATOM 0 H LEU A 46 9.205 6.243 -3.222 1.00 3.42 H new ATOM 0 HA LEU A 46 8.049 8.046 -5.156 1.00 23.24 H new ATOM 0 HB2 LEU A 46 7.992 7.982 -2.122 1.00 11.43 H new ATOM 0 HB3 LEU A 46 7.008 9.025 -3.130 1.00 11.43 H new ATOM 0 HG LEU A 46 6.898 5.991 -3.094 1.00 13.24 H new ATOM 0 HD11 LEU A 46 4.691 6.320 -2.050 1.00 13.24 H new ATOM 0 HD12 LEU A 46 6.001 6.993 -1.050 1.00 13.24 H new ATOM 0 HD13 LEU A 46 4.973 8.077 -2.018 1.00 13.24 H new ATOM 0 HD21 LEU A 46 4.899 6.264 -4.509 1.00 25.31 H new ATOM 0 HD22 LEU A 46 5.188 8.019 -4.571 1.00 25.31 H new ATOM 0 HD23 LEU A 46 6.361 6.898 -5.302 1.00 25.31 H new ATOM 716 N TRP A 47 10.627 8.910 -3.371 1.00 34.42 N ATOM 717 CA TRP A 47 11.670 9.913 -3.211 1.00 2.33 C ATOM 718 C TRP A 47 12.386 10.137 -4.540 1.00 32.44 C ATOM 719 O TRP A 47 12.597 11.272 -4.965 1.00 31.30 O ATOM 720 CB TRP A 47 12.665 9.469 -2.131 1.00 63.02 C ATOM 721 CG TRP A 47 13.717 10.490 -1.817 1.00 41.42 C ATOM 722 CD1 TRP A 47 13.620 11.505 -0.915 1.00 21.32 C ATOM 723 CD2 TRP A 47 15.022 10.594 -2.402 1.00 51.14 C ATOM 724 NE1 TRP A 47 14.784 12.237 -0.901 1.00 34.54 N ATOM 725 CE2 TRP A 47 15.658 11.697 -1.803 1.00 61.15 C ATOM 726 CE3 TRP A 47 15.714 9.862 -3.370 1.00 70.54 C ATOM 727 CZ2 TRP A 47 16.952 12.086 -2.144 1.00 65.13 C ATOM 728 CZ3 TRP A 47 16.997 10.246 -3.706 1.00 45.22 C ATOM 729 CH2 TRP A 47 17.605 11.349 -3.096 1.00 2.34 C ATOM 0 H TRP A 47 10.824 8.023 -2.908 1.00 34.42 H new ATOM 0 HA TRP A 47 11.216 10.853 -2.898 1.00 2.33 H new ATOM 0 HB2 TRP A 47 12.116 9.235 -1.219 1.00 63.02 H new ATOM 0 HB3 TRP A 47 13.151 8.549 -2.455 1.00 63.02 H new ATOM 0 HD1 TRP A 47 12.755 11.706 -0.300 1.00 21.32 H new ATOM 0 HE1 TRP A 47 14.966 13.051 -0.313 1.00 34.54 H new ATOM 0 HE3 TRP A 47 15.253 9.010 -3.848 1.00 70.54 H new ATOM 0 HZ2 TRP A 47 17.423 12.937 -1.675 1.00 65.13 H new ATOM 0 HZ3 TRP A 47 17.541 9.686 -4.452 1.00 45.22 H new ATOM 0 HH2 TRP A 47 18.609 11.625 -3.382 1.00 2.34 H new ATOM 740 N LYS A 48 12.731 9.039 -5.207 1.00 64.41 N ATOM 741 CA LYS A 48 13.419 9.104 -6.491 1.00 65.34 C ATOM 742 C LYS A 48 12.438 9.460 -7.610 1.00 54.44 C ATOM 743 O LYS A 48 12.835 9.697 -8.749 1.00 72.20 O ATOM 744 CB LYS A 48 14.121 7.772 -6.790 1.00 4.22 C ATOM 745 CG LYS A 48 13.169 6.603 -6.978 1.00 4.42 C ATOM 746 CD LYS A 48 13.887 5.256 -6.959 1.00 51.31 C ATOM 747 CE LYS A 48 14.880 5.108 -8.106 1.00 3.53 C ATOM 748 NZ LYS A 48 16.288 5.268 -7.654 1.00 70.53 N ATOM 0 H LYS A 48 12.544 8.092 -4.878 1.00 64.41 H new ATOM 0 HA LYS A 48 14.175 9.888 -6.439 1.00 65.34 H new ATOM 0 HB2 LYS A 48 14.725 7.885 -7.691 1.00 4.22 H new ATOM 0 HB3 LYS A 48 14.806 7.542 -5.974 1.00 4.22 H new ATOM 0 HG2 LYS A 48 12.416 6.621 -6.190 1.00 4.42 H new ATOM 0 HG3 LYS A 48 12.642 6.717 -7.925 1.00 4.42 H new ATOM 0 HD2 LYS A 48 14.412 5.141 -6.011 1.00 51.31 H new ATOM 0 HD3 LYS A 48 13.150 4.454 -7.015 1.00 51.31 H new ATOM 0 HE2 LYS A 48 14.757 4.128 -8.567 1.00 3.53 H new ATOM 0 HE3 LYS A 48 14.660 5.850 -8.873 1.00 3.53 H new ATOM 0 HZ1 LYS A 48 16.928 5.160 -8.467 1.00 70.53 H new ATOM 0 HZ2 LYS A 48 16.414 6.213 -7.238 1.00 70.53 H new ATOM 0 HZ3 LYS A 48 16.508 4.544 -6.941 1.00 70.53 H new ATOM 762 N LYS A 49 11.154 9.493 -7.275 1.00 33.20 N ATOM 763 CA LYS A 49 10.122 9.873 -8.232 1.00 3.23 C ATOM 764 C LYS A 49 10.098 11.385 -8.419 1.00 33.10 C ATOM 765 O LYS A 49 10.235 11.879 -9.534 1.00 42.34 O ATOM 766 CB LYS A 49 8.748 9.376 -7.758 1.00 12.24 C ATOM 767 CG LYS A 49 7.563 9.844 -8.604 1.00 34.04 C ATOM 768 CD LYS A 49 7.464 9.119 -9.945 1.00 42.32 C ATOM 769 CE LYS A 49 8.482 9.626 -10.957 1.00 44.24 C ATOM 770 NZ LYS A 49 8.332 8.968 -12.281 1.00 51.21 N ATOM 0 H LYS A 49 10.802 9.261 -6.346 1.00 33.20 H new ATOM 0 HA LYS A 49 10.352 9.408 -9.191 1.00 3.23 H new ATOM 0 HB2 LYS A 49 8.758 8.286 -7.745 1.00 12.24 H new ATOM 0 HB3 LYS A 49 8.594 9.706 -6.731 1.00 12.24 H new ATOM 0 HG2 LYS A 49 6.640 9.689 -8.044 1.00 34.04 H new ATOM 0 HG3 LYS A 49 7.652 10.916 -8.782 1.00 34.04 H new ATOM 0 HD2 LYS A 49 7.613 8.051 -9.789 1.00 42.32 H new ATOM 0 HD3 LYS A 49 6.460 9.245 -10.350 1.00 42.32 H new ATOM 0 HE2 LYS A 49 8.370 10.704 -11.074 1.00 44.24 H new ATOM 0 HE3 LYS A 49 9.488 9.450 -10.577 1.00 44.24 H new ATOM 0 HZ1 LYS A 49 9.045 9.344 -12.938 1.00 51.21 H new ATOM 0 HZ2 LYS A 49 8.465 7.942 -12.176 1.00 51.21 H new ATOM 0 HZ3 LYS A 49 7.381 9.157 -12.657 1.00 51.21 H new ATOM 784 N CYS A 50 9.935 12.110 -7.322 1.00 20.13 N ATOM 785 CA CYS A 50 9.855 13.561 -7.378 1.00 22.21 C ATOM 786 C CYS A 50 10.374 14.171 -6.082 1.00 3.31 C ATOM 787 O CYS A 50 11.333 14.941 -6.089 1.00 31.14 O ATOM 788 CB CYS A 50 8.410 13.999 -7.640 1.00 64.33 C ATOM 789 SG CYS A 50 8.196 15.776 -7.902 1.00 55.24 S ATOM 0 H CYS A 50 9.856 11.717 -6.384 1.00 20.13 H new ATOM 0 HA CYS A 50 10.479 13.917 -8.198 1.00 22.21 H new ATOM 0 HB2 CYS A 50 8.037 13.469 -8.516 1.00 64.33 H new ATOM 0 HB3 CYS A 50 7.793 13.693 -6.795 1.00 64.33 H new ATOM 0 HG CYS A 50 6.940 16.035 -8.116 1.00 55.24 H new ATOM 795 N GLY A 51 9.741 13.824 -4.971 1.00 5.20 N ATOM 796 CA GLY A 51 10.184 14.334 -3.690 1.00 41.33 C ATOM 797 C GLY A 51 9.302 13.882 -2.550 1.00 42.22 C ATOM 798 O GLY A 51 9.147 14.591 -1.560 1.00 65.23 O ATOM 0 H GLY A 51 8.933 13.202 -4.933 1.00 5.20 H new ATOM 0 HA2 GLY A 51 11.207 14.005 -3.506 1.00 41.33 H new ATOM 0 HA3 GLY A 51 10.200 15.423 -3.722 1.00 41.33 H new ATOM 802 N THR A 52 8.716 12.704 -2.684 1.00 33.24 N ATOM 803 CA THR A 52 7.863 12.176 -1.641 1.00 53.23 C ATOM 804 C THR A 52 8.683 11.330 -0.673 1.00 53.31 C ATOM 805 O THR A 52 8.789 10.112 -0.815 1.00 71.04 O ATOM 806 CB THR A 52 6.702 11.351 -2.227 1.00 54.13 C ATOM 807 OG1 THR A 52 6.039 12.118 -3.242 1.00 24.33 O ATOM 808 CG2 THR A 52 5.700 10.967 -1.148 1.00 74.52 C ATOM 0 H THR A 52 8.816 12.101 -3.500 1.00 33.24 H new ATOM 0 HA THR A 52 7.430 13.017 -1.100 1.00 53.23 H new ATOM 0 HB THR A 52 7.112 10.436 -2.654 1.00 54.13 H new ATOM 0 HG1 THR A 52 5.301 11.594 -3.618 1.00 24.33 H new ATOM 0 HG21 THR A 52 4.892 10.385 -1.592 1.00 74.52 H new ATOM 0 HG22 THR A 52 6.199 10.371 -0.384 1.00 74.52 H new ATOM 0 HG23 THR A 52 5.290 11.869 -0.694 1.00 74.52 H new ATOM 816 N SER A 53 9.295 12.003 0.287 1.00 51.21 N ATOM 817 CA SER A 53 10.131 11.345 1.274 1.00 4.20 C ATOM 818 C SER A 53 9.285 10.654 2.339 1.00 0.52 C ATOM 819 O SER A 53 9.803 9.885 3.149 1.00 10.42 O ATOM 820 CB SER A 53 11.044 12.377 1.930 1.00 21.25 C ATOM 821 OG SER A 53 11.703 13.160 0.950 1.00 21.23 O ATOM 0 H SER A 53 9.227 13.014 0.403 1.00 51.21 H new ATOM 0 HA SER A 53 10.729 10.585 0.771 1.00 4.20 H new ATOM 0 HB2 SER A 53 10.459 13.023 2.585 1.00 21.25 H new ATOM 0 HB3 SER A 53 11.781 11.872 2.555 1.00 21.25 H new ATOM 0 HG SER A 53 12.282 13.816 1.391 1.00 21.23 H new ATOM 827 N VAL A 54 7.983 10.929 2.308 1.00 2.12 N ATOM 828 CA VAL A 54 7.050 10.447 3.322 1.00 4.21 C ATOM 829 C VAL A 54 7.399 11.069 4.669 1.00 42.14 C ATOM 830 O VAL A 54 8.081 10.465 5.496 1.00 52.23 O ATOM 831 CB VAL A 54 7.039 8.902 3.437 1.00 43.43 C ATOM 832 CG1 VAL A 54 5.978 8.441 4.427 1.00 3.42 C ATOM 833 CG2 VAL A 54 6.811 8.262 2.074 1.00 70.20 C ATOM 0 H VAL A 54 7.546 11.492 1.579 1.00 2.12 H new ATOM 0 HA VAL A 54 6.048 10.748 3.016 1.00 4.21 H new ATOM 0 HB VAL A 54 8.013 8.584 3.807 1.00 43.43 H new ATOM 0 HG11 VAL A 54 5.989 7.353 4.491 1.00 3.42 H new ATOM 0 HG12 VAL A 54 6.188 8.865 5.409 1.00 3.42 H new ATOM 0 HG13 VAL A 54 4.997 8.775 4.090 1.00 3.42 H new ATOM 0 HG21 VAL A 54 6.807 7.177 2.178 1.00 70.20 H new ATOM 0 HG22 VAL A 54 5.853 8.592 1.673 1.00 70.20 H new ATOM 0 HG23 VAL A 54 7.610 8.559 1.395 1.00 70.20 H new ATOM 843 N ASN A 55 6.962 12.304 4.861 1.00 63.13 N ATOM 844 CA ASN A 55 7.314 13.058 6.058 1.00 50.31 C ATOM 845 C ASN A 55 6.117 13.201 6.988 1.00 50.14 C ATOM 846 O ASN A 55 6.030 12.521 8.008 1.00 51.34 O ATOM 847 CB ASN A 55 7.853 14.442 5.681 1.00 41.22 C ATOM 848 CG ASN A 55 8.254 15.255 6.897 1.00 41.45 C ATOM 849 OD1 ASN A 55 8.688 14.707 7.907 1.00 41.24 O ATOM 850 ND2 ASN A 55 8.099 16.568 6.811 1.00 75.24 N ATOM 0 H ASN A 55 6.364 12.806 4.205 1.00 63.13 H new ATOM 0 HA ASN A 55 8.093 12.505 6.584 1.00 50.31 H new ATOM 0 HB2 ASN A 55 8.715 14.327 5.023 1.00 41.22 H new ATOM 0 HB3 ASN A 55 7.093 14.984 5.119 1.00 41.22 H new ATOM 0 HD21 ASN A 55 8.344 17.163 7.602 1.00 75.24 H new ATOM 0 HD22 ASN A 55 7.735 16.984 5.953 1.00 75.24 H new ATOM 857 N SER A 56 5.185 14.074 6.626 1.00 1.12 N ATOM 858 CA SER A 56 4.017 14.319 7.453 1.00 54.34 C ATOM 859 C SER A 56 2.832 13.505 6.944 1.00 44.53 C ATOM 860 O SER A 56 1.705 13.651 7.420 1.00 53.44 O ATOM 861 CB SER A 56 3.686 15.815 7.452 1.00 54.01 C ATOM 862 OG SER A 56 2.693 16.124 8.414 1.00 43.34 O ATOM 0 H SER A 56 5.218 14.622 5.766 1.00 1.12 H new ATOM 0 HA SER A 56 4.230 14.009 8.476 1.00 54.34 H new ATOM 0 HB2 SER A 56 4.589 16.389 7.661 1.00 54.01 H new ATOM 0 HB3 SER A 56 3.341 16.112 6.462 1.00 54.01 H new ATOM 0 HG SER A 56 2.504 17.085 8.391 1.00 43.34 H new ATOM 868 N MET A 57 3.098 12.642 5.975 1.00 25.41 N ATOM 869 CA MET A 57 2.066 11.791 5.412 1.00 24.42 C ATOM 870 C MET A 57 1.895 10.545 6.275 1.00 12.21 C ATOM 871 O MET A 57 2.634 9.570 6.131 1.00 61.11 O ATOM 872 CB MET A 57 2.419 11.403 3.974 1.00 61.12 C ATOM 873 CG MET A 57 1.323 10.641 3.251 1.00 5.24 C ATOM 874 SD MET A 57 1.763 10.252 1.541 1.00 60.34 S ATOM 875 CE MET A 57 3.126 9.114 1.785 1.00 1.31 C ATOM 0 H MET A 57 4.022 12.514 5.563 1.00 25.41 H new ATOM 0 HA MET A 57 1.125 12.340 5.396 1.00 24.42 H new ATOM 0 HB2 MET A 57 2.650 12.307 3.411 1.00 61.12 H new ATOM 0 HB3 MET A 57 3.323 10.795 3.985 1.00 61.12 H new ATOM 0 HG2 MET A 57 1.113 9.716 3.788 1.00 5.24 H new ATOM 0 HG3 MET A 57 0.407 11.231 3.262 1.00 5.24 H new ATOM 0 HE1 MET A 57 3.353 8.611 0.845 1.00 1.31 H new ATOM 0 HE2 MET A 57 4.004 9.665 2.123 1.00 1.31 H new ATOM 0 HE3 MET A 57 2.851 8.373 2.536 1.00 1.31 H new ATOM 885 N ALA A 58 0.943 10.604 7.195 1.00 20.42 N ATOM 886 CA ALA A 58 0.684 9.496 8.103 1.00 40.22 C ATOM 887 C ALA A 58 -0.035 8.366 7.381 1.00 72.25 C ATOM 888 O ALA A 58 -1.051 8.588 6.718 1.00 5.13 O ATOM 889 CB ALA A 58 -0.130 9.971 9.295 1.00 43.20 C ATOM 0 H ALA A 58 0.335 11.411 7.333 1.00 20.42 H new ATOM 0 HA ALA A 58 1.639 9.115 8.464 1.00 40.22 H new ATOM 0 HB1 ALA A 58 -0.316 9.132 9.966 1.00 43.20 H new ATOM 0 HB2 ALA A 58 0.422 10.746 9.827 1.00 43.20 H new ATOM 0 HB3 ALA A 58 -1.081 10.376 8.948 1.00 43.20 H new ATOM 895 N LEU A 59 0.498 7.162 7.508 1.00 50.41 N ATOM 896 CA LEU A 59 -0.079 5.995 6.860 1.00 12.21 C ATOM 897 C LEU A 59 -0.592 5.010 7.899 1.00 23.13 C ATOM 898 O LEU A 59 0.194 4.324 8.553 1.00 2.23 O ATOM 899 CB LEU A 59 0.965 5.308 5.972 1.00 42.13 C ATOM 900 CG LEU A 59 1.544 6.170 4.850 1.00 55.24 C ATOM 901 CD1 LEU A 59 2.647 5.419 4.121 1.00 13.32 C ATOM 902 CD2 LEU A 59 0.451 6.584 3.876 1.00 20.13 C ATOM 0 H LEU A 59 1.335 6.966 8.058 1.00 50.41 H new ATOM 0 HA LEU A 59 -0.913 6.325 6.241 1.00 12.21 H new ATOM 0 HB2 LEU A 59 1.785 4.966 6.603 1.00 42.13 H new ATOM 0 HB3 LEU A 59 0.512 4.421 5.529 1.00 42.13 H new ATOM 0 HG LEU A 59 1.970 7.071 5.292 1.00 55.24 H new ATOM 0 HD11 LEU A 59 3.049 6.046 3.325 1.00 13.32 H new ATOM 0 HD12 LEU A 59 3.442 5.169 4.823 1.00 13.32 H new ATOM 0 HD13 LEU A 59 2.241 4.503 3.692 1.00 13.32 H new ATOM 0 HD21 LEU A 59 0.882 7.197 3.084 1.00 20.13 H new ATOM 0 HD22 LEU A 59 -0.003 5.695 3.440 1.00 20.13 H new ATOM 0 HD23 LEU A 59 -0.310 7.158 4.405 1.00 20.13 H new ATOM 914 N GLU A 60 -1.905 4.961 8.065 1.00 34.30 N ATOM 915 CA GLU A 60 -2.516 3.999 8.971 1.00 2.23 C ATOM 916 C GLU A 60 -2.598 2.634 8.307 1.00 35.42 C ATOM 917 O GLU A 60 -3.098 2.508 7.188 1.00 22.05 O ATOM 918 CB GLU A 60 -3.917 4.438 9.391 1.00 20.44 C ATOM 919 CG GLU A 60 -3.957 5.709 10.216 1.00 62.13 C ATOM 920 CD GLU A 60 -5.365 6.041 10.668 1.00 11.24 C ATOM 921 OE1 GLU A 60 -6.161 6.510 9.834 1.00 11.12 O ATOM 922 OE2 GLU A 60 -5.687 5.810 11.853 1.00 10.22 O ATOM 0 H GLU A 60 -2.566 5.573 7.587 1.00 34.30 H new ATOM 0 HA GLU A 60 -1.890 3.942 9.861 1.00 2.23 H new ATOM 0 HB2 GLU A 60 -4.522 4.582 8.496 1.00 20.44 H new ATOM 0 HB3 GLU A 60 -4.380 3.634 9.963 1.00 20.44 H new ATOM 0 HG2 GLU A 60 -3.312 5.597 11.088 1.00 62.13 H new ATOM 0 HG3 GLU A 60 -3.559 6.536 9.629 1.00 62.13 H new ATOM 929 N LEU A 61 -2.102 1.619 8.992 1.00 20.33 N ATOM 930 CA LEU A 61 -2.136 0.267 8.468 1.00 3.35 C ATOM 931 C LEU A 61 -3.409 -0.445 8.922 1.00 1.24 C ATOM 932 O LEU A 61 -3.517 -0.876 10.070 1.00 3.13 O ATOM 933 CB LEU A 61 -0.897 -0.507 8.926 1.00 43.12 C ATOM 934 CG LEU A 61 -0.726 -1.896 8.308 1.00 41.02 C ATOM 935 CD1 LEU A 61 -0.606 -1.795 6.792 1.00 74.34 C ATOM 936 CD2 LEU A 61 0.490 -2.599 8.900 1.00 53.55 C ATOM 0 H LEU A 61 -1.671 1.706 9.912 1.00 20.33 H new ATOM 0 HA LEU A 61 -2.135 0.312 7.379 1.00 3.35 H new ATOM 0 HB2 LEU A 61 -0.013 0.087 8.695 1.00 43.12 H new ATOM 0 HB3 LEU A 61 -0.935 -0.612 10.010 1.00 43.12 H new ATOM 0 HG LEU A 61 -1.610 -2.489 8.542 1.00 41.02 H new ATOM 0 HD11 LEU A 61 -0.485 -2.792 6.369 1.00 74.34 H new ATOM 0 HD12 LEU A 61 -1.507 -1.336 6.386 1.00 74.34 H new ATOM 0 HD13 LEU A 61 0.260 -1.185 6.535 1.00 74.34 H new ATOM 0 HD21 LEU A 61 0.596 -3.585 8.448 1.00 53.55 H new ATOM 0 HD22 LEU A 61 1.385 -2.010 8.698 1.00 53.55 H new ATOM 0 HD23 LEU A 61 0.360 -2.705 9.977 1.00 53.55 H new ATOM 948 N TYR A 62 -4.378 -0.528 8.027 1.00 21.11 N ATOM 949 CA TYR A 62 -5.620 -1.236 8.307 1.00 51.35 C ATOM 950 C TYR A 62 -5.586 -2.625 7.690 1.00 20.51 C ATOM 951 O TYR A 62 -5.143 -2.795 6.557 1.00 33.04 O ATOM 952 CB TYR A 62 -6.825 -0.473 7.756 1.00 74.35 C ATOM 953 CG TYR A 62 -7.251 0.715 8.584 1.00 1.21 C ATOM 954 CD1 TYR A 62 -6.670 1.963 8.403 1.00 40.45 C ATOM 955 CD2 TYR A 62 -8.254 0.591 9.535 1.00 60.21 C ATOM 956 CE1 TYR A 62 -7.078 3.054 9.146 1.00 31.01 C ATOM 957 CE2 TYR A 62 -8.665 1.675 10.286 1.00 21.04 C ATOM 958 CZ TYR A 62 -8.075 2.904 10.085 1.00 1.22 C ATOM 959 OH TYR A 62 -8.490 3.988 10.825 1.00 73.25 O ATOM 0 H TYR A 62 -4.330 -0.113 7.096 1.00 21.11 H new ATOM 0 HA TYR A 62 -5.718 -1.317 9.390 1.00 51.35 H new ATOM 0 HB2 TYR A 62 -6.591 -0.131 6.748 1.00 74.35 H new ATOM 0 HB3 TYR A 62 -7.666 -1.161 7.672 1.00 74.35 H new ATOM 0 HD1 TYR A 62 -5.886 2.083 7.669 1.00 40.45 H new ATOM 0 HD2 TYR A 62 -8.722 -0.370 9.691 1.00 60.21 H new ATOM 0 HE1 TYR A 62 -6.618 4.019 8.992 1.00 31.01 H new ATOM 0 HE2 TYR A 62 -9.443 1.560 11.026 1.00 21.04 H new ATOM 0 HH TYR A 62 -9.405 3.837 11.141 1.00 73.25 H new ATOM 969 N ASP A 63 -6.075 -3.612 8.423 1.00 34.50 N ATOM 970 CA ASP A 63 -6.182 -4.970 7.900 1.00 51.35 C ATOM 971 C ASP A 63 -7.527 -5.139 7.191 1.00 0.34 C ATOM 972 O ASP A 63 -8.251 -6.111 7.405 1.00 13.31 O ATOM 973 CB ASP A 63 -6.016 -5.998 9.031 1.00 41.21 C ATOM 974 CG ASP A 63 -7.119 -5.925 10.067 1.00 24.22 C ATOM 975 OD1 ASP A 63 -7.488 -4.808 10.469 1.00 1.40 O ATOM 976 OD2 ASP A 63 -7.620 -6.988 10.483 1.00 53.12 O ATOM 0 H ASP A 63 -6.405 -3.501 9.382 1.00 34.50 H new ATOM 0 HA ASP A 63 -5.384 -5.143 7.179 1.00 51.35 H new ATOM 0 HB2 ASP A 63 -5.994 -7.000 8.603 1.00 41.21 H new ATOM 0 HB3 ASP A 63 -5.055 -5.839 9.520 1.00 41.21 H new ATOM 981 N ASP A 64 -7.820 -4.173 6.323 1.00 52.33 N ATOM 982 CA ASP A 64 -9.083 -4.102 5.592 1.00 72.50 C ATOM 983 C ASP A 64 -10.243 -3.757 6.527 1.00 75.23 C ATOM 984 O ASP A 64 -11.126 -4.574 6.782 1.00 32.14 O ATOM 985 CB ASP A 64 -9.362 -5.397 4.813 1.00 3.14 C ATOM 986 CG ASP A 64 -10.610 -5.301 3.960 1.00 33.33 C ATOM 987 OD1 ASP A 64 -10.680 -4.401 3.093 1.00 35.21 O ATOM 988 OD2 ASP A 64 -11.527 -6.119 4.165 1.00 2.34 O ATOM 0 H ASP A 64 -7.180 -3.409 6.105 1.00 52.33 H new ATOM 0 HA ASP A 64 -8.992 -3.298 4.862 1.00 72.50 H new ATOM 0 HB2 ASP A 64 -8.507 -5.626 4.177 1.00 3.14 H new ATOM 0 HB3 ASP A 64 -9.468 -6.224 5.515 1.00 3.14 H new ATOM 993 N SER A 65 -10.187 -2.542 7.072 1.00 14.32 N ATOM 994 CA SER A 65 -11.270 -1.974 7.888 1.00 14.23 C ATOM 995 C SER A 65 -11.640 -2.842 9.098 1.00 51.31 C ATOM 996 O SER A 65 -12.734 -2.714 9.647 1.00 35.24 O ATOM 997 CB SER A 65 -12.500 -1.730 7.012 1.00 13.13 C ATOM 998 OG SER A 65 -12.204 -0.798 5.987 1.00 33.41 O ATOM 0 H SER A 65 -9.388 -1.918 6.962 1.00 14.32 H new ATOM 0 HA SER A 65 -10.903 -1.031 8.292 1.00 14.23 H new ATOM 0 HB2 SER A 65 -12.832 -2.670 6.572 1.00 13.13 H new ATOM 0 HB3 SER A 65 -13.321 -1.357 7.624 1.00 13.13 H new ATOM 0 HG SER A 65 -13.001 -0.655 5.435 1.00 33.41 H new ATOM 1004 N GLY A 66 -10.729 -3.699 9.529 1.00 32.21 N ATOM 1005 CA GLY A 66 -10.984 -4.508 10.700 1.00 44.21 C ATOM 1006 C GLY A 66 -10.484 -3.836 11.960 1.00 4.44 C ATOM 1007 O GLY A 66 -11.267 -3.454 12.833 1.00 13.35 O ATOM 0 H GLY A 66 -9.820 -3.849 9.090 1.00 32.21 H new ATOM 0 HA2 GLY A 66 -12.054 -4.696 10.787 1.00 44.21 H new ATOM 0 HA3 GLY A 66 -10.498 -5.477 10.586 1.00 44.21 H new ATOM 1011 N SER A 67 -9.179 -3.681 12.041 1.00 55.12 N ATOM 1012 CA SER A 67 -8.534 -3.044 13.172 1.00 34.04 C ATOM 1013 C SER A 67 -7.368 -2.188 12.682 1.00 23.31 C ATOM 1014 O SER A 67 -7.040 -2.195 11.493 1.00 40.10 O ATOM 1015 CB SER A 67 -8.041 -4.115 14.151 1.00 74.13 C ATOM 1016 OG SER A 67 -7.340 -5.147 13.468 1.00 22.10 O ATOM 0 H SER A 67 -8.531 -3.995 11.319 1.00 55.12 H new ATOM 0 HA SER A 67 -9.247 -2.400 13.687 1.00 34.04 H new ATOM 0 HB2 SER A 67 -7.389 -3.659 14.896 1.00 74.13 H new ATOM 0 HB3 SER A 67 -8.889 -4.540 14.687 1.00 74.13 H new ATOM 0 HG SER A 67 -7.274 -4.923 12.516 1.00 22.10 H new ATOM 1022 N LYS A 68 -6.753 -1.437 13.582 1.00 73.31 N ATOM 1023 CA LYS A 68 -5.569 -0.680 13.228 1.00 72.13 C ATOM 1024 C LYS A 68 -4.326 -1.461 13.613 1.00 35.45 C ATOM 1025 O LYS A 68 -3.828 -1.347 14.732 1.00 55.24 O ATOM 1026 CB LYS A 68 -5.559 0.694 13.899 1.00 54.54 C ATOM 1027 CG LYS A 68 -6.802 1.520 13.621 1.00 51.00 C ATOM 1028 CD LYS A 68 -6.577 2.987 13.945 1.00 35.35 C ATOM 1029 CE LYS A 68 -7.852 3.791 13.770 1.00 72.55 C ATOM 1030 NZ LYS A 68 -7.580 5.248 13.684 1.00 5.32 N ATOM 0 H LYS A 68 -7.052 -1.337 14.552 1.00 73.31 H new ATOM 0 HA LYS A 68 -5.579 -0.521 12.150 1.00 72.13 H new ATOM 0 HB2 LYS A 68 -5.455 0.561 14.976 1.00 54.54 H new ATOM 0 HB3 LYS A 68 -4.683 1.247 13.560 1.00 54.54 H new ATOM 0 HG2 LYS A 68 -7.083 1.416 12.573 1.00 51.00 H new ATOM 0 HG3 LYS A 68 -7.634 1.139 14.213 1.00 51.00 H new ATOM 0 HD2 LYS A 68 -6.220 3.085 14.970 1.00 35.35 H new ATOM 0 HD3 LYS A 68 -5.799 3.390 13.297 1.00 35.35 H new ATOM 0 HE2 LYS A 68 -8.366 3.464 12.866 1.00 72.55 H new ATOM 0 HE3 LYS A 68 -8.522 3.596 14.607 1.00 72.55 H new ATOM 0 HZ1 LYS A 68 -8.479 5.764 13.599 1.00 5.32 H new ATOM 0 HZ2 LYS A 68 -7.082 5.559 14.542 1.00 5.32 H new ATOM 0 HZ3 LYS A 68 -6.989 5.442 12.851 1.00 5.32 H new ATOM 1044 N VAL A 69 -3.837 -2.264 12.684 1.00 34.30 N ATOM 1045 CA VAL A 69 -2.659 -3.087 12.916 1.00 63.02 C ATOM 1046 C VAL A 69 -1.387 -2.289 12.645 1.00 34.44 C ATOM 1047 O VAL A 69 -0.419 -2.792 12.069 1.00 70.42 O ATOM 1048 CB VAL A 69 -2.686 -4.364 12.042 1.00 0.21 C ATOM 1049 CG1 VAL A 69 -3.780 -5.306 12.519 1.00 14.21 C ATOM 1050 CG2 VAL A 69 -2.890 -4.018 10.572 1.00 33.33 C ATOM 0 H VAL A 69 -4.241 -2.365 11.753 1.00 34.30 H new ATOM 0 HA VAL A 69 -2.667 -3.392 13.962 1.00 63.02 H new ATOM 0 HB VAL A 69 -1.722 -4.863 12.141 1.00 0.21 H new ATOM 0 HG11 VAL A 69 -3.788 -6.200 11.895 1.00 14.21 H new ATOM 0 HG12 VAL A 69 -3.591 -5.588 13.555 1.00 14.21 H new ATOM 0 HG13 VAL A 69 -4.746 -4.806 12.449 1.00 14.21 H new ATOM 0 HG21 VAL A 69 -2.905 -4.934 9.981 1.00 33.33 H new ATOM 0 HG22 VAL A 69 -3.837 -3.492 10.450 1.00 33.33 H new ATOM 0 HG23 VAL A 69 -2.074 -3.380 10.232 1.00 33.33 H new ATOM 1060 N ALA A 70 -1.391 -1.040 13.097 1.00 2.24 N ATOM 1061 CA ALA A 70 -0.293 -0.122 12.845 1.00 15.32 C ATOM 1062 C ALA A 70 0.892 -0.399 13.765 1.00 5.24 C ATOM 1063 O ALA A 70 1.064 0.247 14.801 1.00 12.23 O ATOM 1064 CB ALA A 70 -0.762 1.321 12.988 1.00 2.30 C ATOM 0 H ALA A 70 -2.152 -0.640 13.645 1.00 2.24 H new ATOM 0 HA ALA A 70 0.044 -0.279 11.821 1.00 15.32 H new ATOM 0 HB1 ALA A 70 0.072 1.996 12.796 1.00 2.30 H new ATOM 0 HB2 ALA A 70 -1.559 1.517 12.271 1.00 2.30 H new ATOM 0 HB3 ALA A 70 -1.135 1.484 13.999 1.00 2.30 H new ATOM 1070 N VAL A 71 1.673 -1.400 13.398 1.00 52.21 N ATOM 1071 CA VAL A 71 2.938 -1.681 14.052 1.00 51.11 C ATOM 1072 C VAL A 71 3.928 -2.219 13.017 1.00 3.13 C ATOM 1073 O VAL A 71 3.820 -3.358 12.549 1.00 51.41 O ATOM 1074 CB VAL A 71 2.780 -2.657 15.247 1.00 44.04 C ATOM 1075 CG1 VAL A 71 2.026 -3.914 14.847 1.00 22.35 C ATOM 1076 CG2 VAL A 71 4.140 -3.007 15.837 1.00 12.22 C ATOM 0 H VAL A 71 1.447 -2.041 12.637 1.00 52.21 H new ATOM 0 HA VAL A 71 3.323 -0.752 14.473 1.00 51.11 H new ATOM 0 HB VAL A 71 2.190 -2.151 16.012 1.00 44.04 H new ATOM 0 HG11 VAL A 71 1.935 -4.574 15.710 1.00 22.35 H new ATOM 0 HG12 VAL A 71 1.032 -3.644 14.490 1.00 22.35 H new ATOM 0 HG13 VAL A 71 2.569 -4.427 14.054 1.00 22.35 H new ATOM 0 HG21 VAL A 71 4.008 -3.693 16.674 1.00 12.22 H new ATOM 0 HG22 VAL A 71 4.757 -3.481 15.073 1.00 12.22 H new ATOM 0 HG23 VAL A 71 4.630 -2.098 16.186 1.00 12.22 H new ATOM 1086 N LEU A 72 4.859 -1.372 12.625 1.00 52.22 N ATOM 1087 CA LEU A 72 5.788 -1.697 11.559 1.00 53.12 C ATOM 1088 C LEU A 72 7.226 -1.671 12.064 1.00 34.05 C ATOM 1089 O LEU A 72 7.845 -0.613 12.160 1.00 33.44 O ATOM 1090 CB LEU A 72 5.611 -0.716 10.397 1.00 13.42 C ATOM 1091 CG LEU A 72 6.481 -0.979 9.170 1.00 14.31 C ATOM 1092 CD1 LEU A 72 6.147 -2.329 8.549 1.00 65.30 C ATOM 1093 CD2 LEU A 72 6.299 0.140 8.156 1.00 1.43 C ATOM 0 H LEU A 72 4.993 -0.446 13.032 1.00 52.22 H new ATOM 0 HA LEU A 72 5.573 -2.706 11.208 1.00 53.12 H new ATOM 0 HB2 LEU A 72 4.566 -0.732 10.088 1.00 13.42 H new ATOM 0 HB3 LEU A 72 5.821 0.290 10.760 1.00 13.42 H new ATOM 0 HG LEU A 72 7.525 -1.004 9.481 1.00 14.31 H new ATOM 0 HD11 LEU A 72 6.779 -2.495 7.677 1.00 65.30 H new ATOM 0 HD12 LEU A 72 6.322 -3.119 9.279 1.00 65.30 H new ATOM 0 HD13 LEU A 72 5.100 -2.341 8.246 1.00 65.30 H new ATOM 0 HD21 LEU A 72 6.923 -0.055 7.284 1.00 1.43 H new ATOM 0 HD22 LEU A 72 5.254 0.188 7.851 1.00 1.43 H new ATOM 0 HD23 LEU A 72 6.590 1.089 8.606 1.00 1.43 H new ATOM 1105 N SER A 73 7.741 -2.840 12.408 1.00 61.13 N ATOM 1106 CA SER A 73 9.108 -2.959 12.884 1.00 32.22 C ATOM 1107 C SER A 73 10.067 -3.196 11.719 1.00 61.12 C ATOM 1108 O SER A 73 11.078 -2.506 11.576 1.00 60.11 O ATOM 1109 CB SER A 73 9.201 -4.104 13.889 1.00 62.11 C ATOM 1110 OG SER A 73 8.183 -3.994 14.870 1.00 71.12 O ATOM 0 H SER A 73 7.231 -3.722 12.366 1.00 61.13 H new ATOM 0 HA SER A 73 9.394 -2.028 13.373 1.00 32.22 H new ATOM 0 HB2 SER A 73 9.111 -5.058 13.370 1.00 62.11 H new ATOM 0 HB3 SER A 73 10.179 -4.094 14.370 1.00 62.11 H new ATOM 0 HG SER A 73 8.258 -4.738 15.504 1.00 71.12 H new ATOM 1116 N ASP A 74 9.738 -4.169 10.881 1.00 25.44 N ATOM 1117 CA ASP A 74 10.563 -4.496 9.728 1.00 12.33 C ATOM 1118 C ASP A 74 9.945 -3.923 8.464 1.00 72.53 C ATOM 1119 O ASP A 74 8.992 -4.479 7.924 1.00 44.40 O ATOM 1120 CB ASP A 74 10.732 -6.013 9.589 1.00 54.23 C ATOM 1121 CG ASP A 74 11.502 -6.624 10.744 1.00 34.44 C ATOM 1122 OD1 ASP A 74 12.748 -6.597 10.714 1.00 24.54 O ATOM 1123 OD2 ASP A 74 10.866 -7.135 11.688 1.00 61.20 O ATOM 0 H ASP A 74 8.903 -4.747 10.979 1.00 25.44 H new ATOM 0 HA ASP A 74 11.548 -4.054 9.877 1.00 12.33 H new ATOM 0 HB2 ASP A 74 9.749 -6.480 9.526 1.00 54.23 H new ATOM 0 HB3 ASP A 74 11.250 -6.233 8.656 1.00 54.23 H new ATOM 1128 N ASP A 75 10.475 -2.797 8.006 1.00 51.14 N ATOM 1129 CA ASP A 75 9.961 -2.155 6.806 1.00 50.43 C ATOM 1130 C ASP A 75 10.977 -2.246 5.678 1.00 72.53 C ATOM 1131 O ASP A 75 10.646 -2.049 4.509 1.00 43.33 O ATOM 1132 CB ASP A 75 9.575 -0.692 7.084 1.00 1.22 C ATOM 1133 CG ASP A 75 10.752 0.256 7.240 1.00 53.22 C ATOM 1134 OD1 ASP A 75 11.841 -0.177 7.674 1.00 13.34 O ATOM 1135 OD2 ASP A 75 10.586 1.455 6.931 1.00 35.14 O ATOM 0 H ASP A 75 11.257 -2.312 8.446 1.00 51.14 H new ATOM 0 HA ASP A 75 9.058 -2.682 6.497 1.00 50.43 H new ATOM 0 HB2 ASP A 75 8.944 -0.336 6.269 1.00 1.22 H new ATOM 0 HB3 ASP A 75 8.973 -0.655 7.992 1.00 1.22 H new ATOM 1140 N SER A 76 12.217 -2.555 6.035 1.00 4.04 N ATOM 1141 CA SER A 76 13.265 -2.778 5.049 1.00 75.22 C ATOM 1142 C SER A 76 13.191 -4.214 4.536 1.00 44.42 C ATOM 1143 O SER A 76 13.720 -4.548 3.470 1.00 24.12 O ATOM 1144 CB SER A 76 14.640 -2.496 5.670 1.00 24.11 C ATOM 1145 OG SER A 76 15.682 -2.641 4.720 1.00 53.23 O ATOM 0 H SER A 76 12.522 -2.657 7.003 1.00 4.04 H new ATOM 0 HA SER A 76 13.121 -2.098 4.209 1.00 75.22 H new ATOM 0 HB2 SER A 76 14.656 -1.485 6.076 1.00 24.11 H new ATOM 0 HB3 SER A 76 14.810 -3.177 6.504 1.00 24.11 H new ATOM 0 HG SER A 76 16.001 -1.756 4.447 1.00 53.23 H new ATOM 1151 N ARG A 77 12.510 -5.054 5.303 1.00 2.33 N ATOM 1152 CA ARG A 77 12.345 -6.460 4.964 1.00 55.24 C ATOM 1153 C ARG A 77 11.103 -6.639 4.097 1.00 43.25 C ATOM 1154 O ARG A 77 10.114 -5.928 4.282 1.00 61.34 O ATOM 1155 CB ARG A 77 12.200 -7.296 6.241 1.00 41.11 C ATOM 1156 CG ARG A 77 13.233 -6.977 7.311 1.00 43.41 C ATOM 1157 CD ARG A 77 14.619 -7.487 6.949 1.00 73.41 C ATOM 1158 NE ARG A 77 14.704 -8.948 6.988 1.00 60.34 N ATOM 1159 CZ ARG A 77 15.040 -9.643 8.079 1.00 53.04 C ATOM 1160 NH1 ARG A 77 15.305 -9.009 9.215 1.00 72.41 N ATOM 1161 NH2 ARG A 77 15.120 -10.967 8.035 1.00 60.02 N ATOM 0 H ARG A 77 12.058 -4.781 6.175 1.00 2.33 H new ATOM 0 HA ARG A 77 13.224 -6.795 4.414 1.00 55.24 H new ATOM 0 HB2 ARG A 77 11.204 -7.139 6.654 1.00 41.11 H new ATOM 0 HB3 ARG A 77 12.275 -8.352 5.982 1.00 41.11 H new ATOM 0 HG2 ARG A 77 13.274 -5.898 7.463 1.00 43.41 H new ATOM 0 HG3 ARG A 77 12.921 -7.420 8.257 1.00 43.41 H new ATOM 0 HD2 ARG A 77 14.883 -7.137 5.951 1.00 73.41 H new ATOM 0 HD3 ARG A 77 15.350 -7.065 7.638 1.00 73.41 H new ATOM 0 HE ARG A 77 14.495 -9.465 6.134 1.00 60.34 H new ATOM 0 HH11 ARG A 77 15.252 -7.991 9.255 1.00 72.41 H new ATOM 0 HH12 ARG A 77 15.561 -9.540 10.047 1.00 72.41 H new ATOM 0 HH21 ARG A 77 14.924 -11.461 7.164 1.00 60.02 H new ATOM 0 HH22 ARG A 77 15.377 -11.490 8.872 1.00 60.02 H new ATOM 1175 N PRO A 78 11.142 -7.562 3.127 1.00 52.43 N ATOM 1176 CA PRO A 78 9.968 -7.902 2.319 1.00 42.43 C ATOM 1177 C PRO A 78 8.854 -8.493 3.178 1.00 75.13 C ATOM 1178 O PRO A 78 9.015 -9.561 3.772 1.00 72.12 O ATOM 1179 CB PRO A 78 10.494 -8.947 1.326 1.00 61.32 C ATOM 1180 CG PRO A 78 11.975 -8.781 1.337 1.00 71.34 C ATOM 1181 CD PRO A 78 12.326 -8.334 2.725 1.00 23.43 C ATOM 0 HA PRO A 78 9.536 -7.029 1.831 1.00 42.43 H new ATOM 0 HB2 PRO A 78 10.208 -9.955 1.626 1.00 61.32 H new ATOM 0 HB3 PRO A 78 10.086 -8.783 0.328 1.00 61.32 H new ATOM 0 HG2 PRO A 78 12.475 -9.717 1.090 1.00 71.34 H new ATOM 0 HG3 PRO A 78 12.292 -8.045 0.598 1.00 71.34 H new ATOM 0 HD2 PRO A 78 12.503 -9.180 3.390 1.00 23.43 H new ATOM 0 HD3 PRO A 78 13.230 -7.725 2.737 1.00 23.43 H new ATOM 1189 N LEU A 79 7.732 -7.786 3.253 1.00 64.54 N ATOM 1190 CA LEU A 79 6.604 -8.210 4.080 1.00 32.51 C ATOM 1191 C LEU A 79 6.095 -9.586 3.661 1.00 72.32 C ATOM 1192 O LEU A 79 5.710 -10.397 4.506 1.00 3.30 O ATOM 1193 CB LEU A 79 5.465 -7.186 4.006 1.00 2.43 C ATOM 1194 CG LEU A 79 5.587 -5.970 4.936 1.00 41.34 C ATOM 1195 CD1 LEU A 79 5.667 -6.412 6.390 1.00 21.04 C ATOM 1196 CD2 LEU A 79 6.791 -5.115 4.569 1.00 51.34 C ATOM 0 H LEU A 79 7.577 -6.913 2.749 1.00 64.54 H new ATOM 0 HA LEU A 79 6.957 -8.275 5.109 1.00 32.51 H new ATOM 0 HB2 LEU A 79 5.393 -6.827 2.979 1.00 2.43 H new ATOM 0 HB3 LEU A 79 4.529 -7.697 4.231 1.00 2.43 H new ATOM 0 HG LEU A 79 4.692 -5.361 4.809 1.00 41.34 H new ATOM 0 HD11 LEU A 79 5.753 -5.536 7.032 1.00 21.04 H new ATOM 0 HD12 LEU A 79 4.766 -6.967 6.652 1.00 21.04 H new ATOM 0 HD13 LEU A 79 6.539 -7.051 6.529 1.00 21.04 H new ATOM 0 HD21 LEU A 79 6.851 -4.262 5.245 1.00 51.34 H new ATOM 0 HD22 LEU A 79 7.700 -5.711 4.655 1.00 51.34 H new ATOM 0 HD23 LEU A 79 6.686 -4.759 3.544 1.00 51.34 H new ATOM 1208 N GLY A 80 6.129 -9.853 2.360 1.00 20.43 N ATOM 1209 CA GLY A 80 5.606 -11.101 1.836 1.00 22.02 C ATOM 1210 C GLY A 80 6.418 -12.312 2.259 1.00 71.33 C ATOM 1211 O GLY A 80 5.938 -13.440 2.173 1.00 35.22 O ATOM 0 H GLY A 80 6.512 -9.223 1.655 1.00 20.43 H new ATOM 0 HA2 GLY A 80 4.577 -11.226 2.172 1.00 22.02 H new ATOM 0 HA3 GLY A 80 5.582 -11.049 0.747 1.00 22.02 H new ATOM 1215 N PHE A 81 7.642 -12.077 2.718 1.00 34.15 N ATOM 1216 CA PHE A 81 8.503 -13.156 3.187 1.00 14.33 C ATOM 1217 C PHE A 81 7.968 -13.720 4.499 1.00 63.43 C ATOM 1218 O PHE A 81 8.111 -14.906 4.786 1.00 53.42 O ATOM 1219 CB PHE A 81 9.939 -12.650 3.370 1.00 13.24 C ATOM 1220 CG PHE A 81 10.887 -13.683 3.915 1.00 25.20 C ATOM 1221 CD1 PHE A 81 11.427 -14.653 3.087 1.00 35.33 C ATOM 1222 CD2 PHE A 81 11.239 -13.681 5.256 1.00 44.11 C ATOM 1223 CE1 PHE A 81 12.300 -15.601 3.586 1.00 23.34 C ATOM 1224 CE2 PHE A 81 12.110 -14.627 5.759 1.00 72.30 C ATOM 1225 CZ PHE A 81 12.642 -15.587 4.923 1.00 64.22 C ATOM 0 H PHE A 81 8.060 -11.149 2.775 1.00 34.15 H new ATOM 0 HA PHE A 81 8.509 -13.950 2.441 1.00 14.33 H new ATOM 0 HB2 PHE A 81 10.315 -12.298 2.409 1.00 13.24 H new ATOM 0 HB3 PHE A 81 9.928 -11.792 4.042 1.00 13.24 H new ATOM 0 HD1 PHE A 81 11.163 -14.669 2.040 1.00 35.33 H new ATOM 0 HD2 PHE A 81 10.827 -12.931 5.915 1.00 44.11 H new ATOM 0 HE1 PHE A 81 12.714 -16.352 2.930 1.00 23.34 H new ATOM 0 HE2 PHE A 81 12.375 -14.615 6.806 1.00 72.30 H new ATOM 0 HZ PHE A 81 13.325 -16.326 5.314 1.00 64.22 H new ATOM 1235 N PHE A 82 7.348 -12.855 5.286 1.00 41.11 N ATOM 1236 CA PHE A 82 6.770 -13.262 6.555 1.00 1.05 C ATOM 1237 C PHE A 82 5.314 -13.664 6.353 1.00 41.21 C ATOM 1238 O PHE A 82 4.891 -14.751 6.752 1.00 32.14 O ATOM 1239 CB PHE A 82 6.880 -12.124 7.576 1.00 23.42 C ATOM 1240 CG PHE A 82 6.399 -12.488 8.954 1.00 33.52 C ATOM 1241 CD1 PHE A 82 7.191 -13.246 9.803 1.00 64.20 C ATOM 1242 CD2 PHE A 82 5.158 -12.065 9.403 1.00 25.05 C ATOM 1243 CE1 PHE A 82 6.750 -13.577 11.073 1.00 74.02 C ATOM 1244 CE2 PHE A 82 4.714 -12.392 10.669 1.00 22.21 C ATOM 1245 CZ PHE A 82 5.512 -13.149 11.505 1.00 1.32 C ATOM 0 H PHE A 82 7.233 -11.865 5.067 1.00 41.11 H new ATOM 0 HA PHE A 82 7.320 -14.121 6.940 1.00 1.05 H new ATOM 0 HB2 PHE A 82 7.920 -11.805 7.638 1.00 23.42 H new ATOM 0 HB3 PHE A 82 6.306 -11.270 7.216 1.00 23.42 H new ATOM 0 HD1 PHE A 82 8.162 -13.582 9.470 1.00 64.20 H new ATOM 0 HD2 PHE A 82 4.530 -11.472 8.754 1.00 25.05 H new ATOM 0 HE1 PHE A 82 7.375 -14.170 11.725 1.00 74.02 H new ATOM 0 HE2 PHE A 82 3.744 -12.056 11.005 1.00 22.21 H new ATOM 0 HZ PHE A 82 5.167 -13.405 12.496 1.00 1.32 H new ATOM 1255 N SER A 83 4.552 -12.776 5.733 1.00 54.23 N ATOM 1256 CA SER A 83 3.152 -13.030 5.438 1.00 43.55 C ATOM 1257 C SER A 83 2.706 -12.185 4.251 1.00 34.22 C ATOM 1258 O SER A 83 2.946 -10.977 4.224 1.00 15.24 O ATOM 1259 CB SER A 83 2.275 -12.711 6.654 1.00 11.11 C ATOM 1260 OG SER A 83 2.605 -13.535 7.759 1.00 14.21 O ATOM 0 H SER A 83 4.885 -11.864 5.422 1.00 54.23 H new ATOM 0 HA SER A 83 3.041 -14.086 5.193 1.00 43.55 H new ATOM 0 HB2 SER A 83 2.399 -11.664 6.929 1.00 11.11 H new ATOM 0 HB3 SER A 83 1.226 -12.851 6.395 1.00 11.11 H new ATOM 0 HG SER A 83 3.358 -13.141 8.247 1.00 14.21 H new ATOM 1266 N PRO A 84 2.079 -12.810 3.245 1.00 75.50 N ATOM 1267 CA PRO A 84 1.524 -12.085 2.100 1.00 10.45 C ATOM 1268 C PRO A 84 0.543 -11.010 2.551 1.00 72.35 C ATOM 1269 O PRO A 84 -0.514 -11.315 3.107 1.00 14.03 O ATOM 1270 CB PRO A 84 0.807 -13.171 1.294 1.00 52.13 C ATOM 1271 CG PRO A 84 1.471 -14.443 1.694 1.00 14.33 C ATOM 1272 CD PRO A 84 1.861 -14.263 3.136 1.00 1.32 C ATOM 0 HA PRO A 84 2.289 -11.564 1.525 1.00 10.45 H new ATOM 0 HB2 PRO A 84 -0.259 -13.193 1.521 1.00 52.13 H new ATOM 0 HB3 PRO A 84 0.901 -12.996 0.222 1.00 52.13 H new ATOM 0 HG2 PRO A 84 0.797 -15.291 1.574 1.00 14.33 H new ATOM 0 HG3 PRO A 84 2.345 -14.640 1.074 1.00 14.33 H new ATOM 0 HD2 PRO A 84 1.077 -14.605 3.811 1.00 1.32 H new ATOM 0 HD3 PRO A 84 2.761 -14.825 3.383 1.00 1.32 H new ATOM 1280 N PHE A 85 0.915 -9.753 2.343 1.00 54.34 N ATOM 1281 CA PHE A 85 0.090 -8.637 2.770 1.00 11.31 C ATOM 1282 C PHE A 85 -1.120 -8.474 1.856 1.00 23.20 C ATOM 1283 O PHE A 85 -1.075 -7.792 0.833 1.00 1.43 O ATOM 1284 CB PHE A 85 0.915 -7.338 2.896 1.00 72.13 C ATOM 1285 CG PHE A 85 1.910 -7.068 1.789 1.00 52.40 C ATOM 1286 CD1 PHE A 85 3.014 -7.890 1.598 1.00 64.41 C ATOM 1287 CD2 PHE A 85 1.759 -5.967 0.964 1.00 53.45 C ATOM 1288 CE1 PHE A 85 3.936 -7.618 0.605 1.00 5.21 C ATOM 1289 CE2 PHE A 85 2.677 -5.694 -0.032 1.00 64.31 C ATOM 1290 CZ PHE A 85 3.767 -6.519 -0.210 1.00 3.54 C ATOM 0 H PHE A 85 1.784 -9.484 1.881 1.00 54.34 H new ATOM 0 HA PHE A 85 -0.290 -8.858 3.768 1.00 11.31 H new ATOM 0 HB2 PHE A 85 0.224 -6.497 2.948 1.00 72.13 H new ATOM 0 HB3 PHE A 85 1.455 -7.366 3.843 1.00 72.13 H new ATOM 0 HD1 PHE A 85 3.153 -8.752 2.233 1.00 64.41 H new ATOM 0 HD2 PHE A 85 0.911 -5.312 1.101 1.00 53.45 H new ATOM 0 HE1 PHE A 85 4.789 -8.266 0.468 1.00 5.21 H new ATOM 0 HE2 PHE A 85 2.541 -4.834 -0.671 1.00 64.31 H new ATOM 0 HZ PHE A 85 4.487 -6.305 -0.986 1.00 3.54 H new ATOM 1300 N ASP A 86 -2.199 -9.143 2.244 1.00 44.32 N ATOM 1301 CA ASP A 86 -3.431 -9.174 1.472 1.00 53.32 C ATOM 1302 C ASP A 86 -4.511 -8.346 2.151 1.00 11.21 C ATOM 1303 O ASP A 86 -4.760 -8.496 3.350 1.00 11.12 O ATOM 1304 CB ASP A 86 -3.907 -10.628 1.330 1.00 60.33 C ATOM 1305 CG ASP A 86 -5.229 -10.767 0.591 1.00 73.41 C ATOM 1306 OD1 ASP A 86 -6.294 -10.574 1.216 1.00 24.04 O ATOM 1307 OD2 ASP A 86 -5.210 -11.113 -0.611 1.00 5.23 O ATOM 0 H ASP A 86 -2.242 -9.682 3.109 1.00 44.32 H new ATOM 0 HA ASP A 86 -3.239 -8.750 0.486 1.00 53.32 H new ATOM 0 HB2 ASP A 86 -3.144 -11.201 0.803 1.00 60.33 H new ATOM 0 HB3 ASP A 86 -4.007 -11.067 2.323 1.00 60.33 H new ATOM 1312 N GLY A 87 -5.128 -7.453 1.390 1.00 4.41 N ATOM 1313 CA GLY A 87 -6.268 -6.705 1.888 1.00 3.11 C ATOM 1314 C GLY A 87 -5.881 -5.510 2.736 1.00 4.14 C ATOM 1315 O GLY A 87 -6.741 -4.718 3.125 1.00 63.11 O ATOM 0 H GLY A 87 -4.859 -7.231 0.431 1.00 4.41 H new ATOM 0 HA2 GLY A 87 -6.866 -6.363 1.043 1.00 3.11 H new ATOM 0 HA3 GLY A 87 -6.900 -7.370 2.477 1.00 3.11 H new ATOM 1319 N PHE A 88 -4.594 -5.372 3.023 1.00 71.54 N ATOM 1320 CA PHE A 88 -4.115 -4.269 3.841 1.00 20.21 C ATOM 1321 C PHE A 88 -4.424 -2.928 3.188 1.00 24.31 C ATOM 1322 O PHE A 88 -4.198 -2.727 1.991 1.00 44.02 O ATOM 1323 CB PHE A 88 -2.614 -4.398 4.114 1.00 10.43 C ATOM 1324 CG PHE A 88 -2.284 -5.434 5.152 1.00 20.22 C ATOM 1325 CD1 PHE A 88 -2.240 -5.092 6.495 1.00 43.13 C ATOM 1326 CD2 PHE A 88 -2.021 -6.743 4.791 1.00 60.53 C ATOM 1327 CE1 PHE A 88 -1.936 -6.036 7.456 1.00 64.14 C ATOM 1328 CE2 PHE A 88 -1.716 -7.693 5.748 1.00 10.12 C ATOM 1329 CZ PHE A 88 -1.674 -7.339 7.082 1.00 43.21 C ATOM 0 H PHE A 88 -3.865 -6.009 2.702 1.00 71.54 H new ATOM 0 HA PHE A 88 -4.641 -4.313 4.795 1.00 20.21 H new ATOM 0 HB2 PHE A 88 -2.103 -4.650 3.185 1.00 10.43 H new ATOM 0 HB3 PHE A 88 -2.227 -3.432 4.439 1.00 10.43 H new ATOM 0 HD1 PHE A 88 -2.446 -4.075 6.793 1.00 43.13 H new ATOM 0 HD2 PHE A 88 -2.054 -7.026 3.749 1.00 60.53 H new ATOM 0 HE1 PHE A 88 -1.903 -5.755 8.498 1.00 64.14 H new ATOM 0 HE2 PHE A 88 -1.511 -8.711 5.452 1.00 10.12 H new ATOM 0 HZ PHE A 88 -1.437 -8.080 7.831 1.00 43.21 H new ATOM 1339 N ARG A 89 -4.965 -2.024 3.987 1.00 23.53 N ATOM 1340 CA ARG A 89 -5.338 -0.707 3.513 1.00 13.13 C ATOM 1341 C ARG A 89 -4.388 0.342 4.057 1.00 21.51 C ATOM 1342 O ARG A 89 -4.277 0.516 5.272 1.00 33.43 O ATOM 1343 CB ARG A 89 -6.766 -0.356 3.930 1.00 42.20 C ATOM 1344 CG ARG A 89 -7.828 -1.289 3.375 1.00 43.34 C ATOM 1345 CD ARG A 89 -9.221 -0.763 3.681 1.00 63.24 C ATOM 1346 NE ARG A 89 -10.272 -1.666 3.226 1.00 72.43 N ATOM 1347 CZ ARG A 89 -11.477 -1.263 2.834 1.00 23.32 C ATOM 1348 NH1 ARG A 89 -11.756 0.035 2.740 1.00 54.35 N ATOM 1349 NH2 ARG A 89 -12.396 -2.162 2.522 1.00 24.13 N ATOM 0 H ARG A 89 -5.156 -2.183 4.976 1.00 23.53 H new ATOM 0 HA ARG A 89 -5.281 -0.721 2.425 1.00 13.13 H new ATOM 0 HB2 ARG A 89 -6.826 -0.363 5.018 1.00 42.20 H new ATOM 0 HB3 ARG A 89 -6.987 0.661 3.605 1.00 42.20 H new ATOM 0 HG2 ARG A 89 -7.702 -1.391 2.297 1.00 43.34 H new ATOM 0 HG3 ARG A 89 -7.707 -2.283 3.806 1.00 43.34 H new ATOM 0 HD2 ARG A 89 -9.319 -0.608 4.755 1.00 63.24 H new ATOM 0 HD3 ARG A 89 -9.351 0.209 3.206 1.00 63.24 H new ATOM 0 HE ARG A 89 -10.071 -2.666 3.207 1.00 72.43 H new ATOM 0 HH11 ARG A 89 -11.043 0.728 2.969 1.00 54.35 H new ATOM 0 HH12 ARG A 89 -12.682 0.337 2.439 1.00 54.35 H new ATOM 0 HH21 ARG A 89 -12.178 -3.157 2.583 1.00 24.13 H new ATOM 0 HH22 ARG A 89 -13.323 -1.861 2.220 1.00 24.13 H new ATOM 1363 N LEU A 90 -3.700 1.022 3.161 1.00 74.14 N ATOM 1364 CA LEU A 90 -2.849 2.130 3.547 1.00 33.43 C ATOM 1365 C LEU A 90 -3.687 3.396 3.625 1.00 11.12 C ATOM 1366 O LEU A 90 -4.063 3.967 2.601 1.00 73.03 O ATOM 1367 CB LEU A 90 -1.701 2.308 2.546 1.00 22.12 C ATOM 1368 CG LEU A 90 -0.771 1.104 2.401 1.00 50.35 C ATOM 1369 CD1 LEU A 90 0.280 1.373 1.341 1.00 72.32 C ATOM 1370 CD2 LEU A 90 -0.113 0.771 3.728 1.00 61.43 C ATOM 0 H LEU A 90 -3.714 0.826 2.160 1.00 74.14 H new ATOM 0 HA LEU A 90 -2.411 1.923 4.523 1.00 33.43 H new ATOM 0 HB2 LEU A 90 -2.125 2.539 1.569 1.00 22.12 H new ATOM 0 HB3 LEU A 90 -1.107 3.171 2.848 1.00 22.12 H new ATOM 0 HG LEU A 90 -1.367 0.246 2.090 1.00 50.35 H new ATOM 0 HD11 LEU A 90 0.935 0.506 1.250 1.00 72.32 H new ATOM 0 HD12 LEU A 90 -0.208 1.562 0.385 1.00 72.32 H new ATOM 0 HD13 LEU A 90 0.869 2.244 1.626 1.00 72.32 H new ATOM 0 HD21 LEU A 90 0.545 -0.089 3.602 1.00 61.43 H new ATOM 0 HD22 LEU A 90 0.470 1.626 4.070 1.00 61.43 H new ATOM 0 HD23 LEU A 90 -0.880 0.536 4.466 1.00 61.43 H new ATOM 1382 N HIS A 91 -4.028 3.803 4.835 1.00 51.32 N ATOM 1383 CA HIS A 91 -4.870 4.969 5.022 1.00 44.11 C ATOM 1384 C HIS A 91 -4.020 6.227 5.098 1.00 74.01 C ATOM 1385 O HIS A 91 -3.382 6.499 6.116 1.00 44.11 O ATOM 1386 CB HIS A 91 -5.728 4.829 6.280 1.00 71.21 C ATOM 1387 CG HIS A 91 -6.865 5.804 6.344 1.00 15.54 C ATOM 1388 ND1 HIS A 91 -7.080 6.646 7.408 1.00 42.42 N ATOM 1389 CD2 HIS A 91 -7.867 6.049 5.468 1.00 42.51 C ATOM 1390 CE1 HIS A 91 -8.165 7.364 7.188 1.00 62.01 C ATOM 1391 NE2 HIS A 91 -8.668 7.023 6.015 1.00 33.14 N ATOM 0 H HIS A 91 -3.736 3.345 5.698 1.00 51.32 H new ATOM 0 HA HIS A 91 -5.538 5.047 4.164 1.00 44.11 H new ATOM 0 HB2 HIS A 91 -6.127 3.816 6.327 1.00 71.21 H new ATOM 0 HB3 HIS A 91 -5.096 4.963 7.158 1.00 71.21 H new ATOM 0 HD1 HIS A 91 -6.492 6.707 8.239 1.00 42.42 H new ATOM 0 HD2 HIS A 91 -8.011 5.567 4.512 1.00 42.51 H new ATOM 0 HE1 HIS A 91 -8.574 8.107 7.856 1.00 62.01 H new ATOM 1400 N ILE A 92 -4.001 6.969 4.003 1.00 62.31 N ATOM 1401 CA ILE A 92 -3.238 8.203 3.923 1.00 24.20 C ATOM 1402 C ILE A 92 -3.969 9.324 4.649 1.00 40.42 C ATOM 1403 O ILE A 92 -5.033 9.754 4.212 1.00 43.43 O ATOM 1404 CB ILE A 92 -3.002 8.621 2.455 1.00 12.13 C ATOM 1405 CG1 ILE A 92 -2.300 7.498 1.683 1.00 53.44 C ATOM 1406 CG2 ILE A 92 -2.187 9.906 2.392 1.00 13.04 C ATOM 1407 CD1 ILE A 92 -2.082 7.811 0.218 1.00 41.34 C ATOM 0 H ILE A 92 -4.510 6.735 3.151 1.00 62.31 H new ATOM 0 HA ILE A 92 -2.273 8.024 4.397 1.00 24.20 H new ATOM 0 HB ILE A 92 -3.970 8.805 1.988 1.00 12.13 H new ATOM 0 HG12 ILE A 92 -1.336 7.296 2.150 1.00 53.44 H new ATOM 0 HG13 ILE A 92 -2.892 6.587 1.767 1.00 53.44 H new ATOM 0 HG21 ILE A 92 -2.030 10.186 1.350 1.00 13.04 H new ATOM 0 HG22 ILE A 92 -2.725 10.703 2.905 1.00 13.04 H new ATOM 0 HG23 ILE A 92 -1.223 9.749 2.875 1.00 13.04 H new ATOM 0 HD11 ILE A 92 -1.581 6.971 -0.263 1.00 41.34 H new ATOM 0 HD12 ILE A 92 -3.044 7.984 -0.264 1.00 41.34 H new ATOM 0 HD13 ILE A 92 -1.464 8.704 0.125 1.00 41.34 H new ATOM 1419 N ILE A 93 -3.414 9.770 5.767 1.00 30.51 N ATOM 1420 CA ILE A 93 -3.994 10.880 6.511 1.00 73.20 C ATOM 1421 C ILE A 93 -3.717 12.193 5.793 1.00 2.30 C ATOM 1422 O ILE A 93 -2.586 12.690 5.787 1.00 65.24 O ATOM 1423 CB ILE A 93 -3.455 10.949 7.959 1.00 3.12 C ATOM 1424 CG1 ILE A 93 -3.836 9.680 8.729 1.00 21.34 C ATOM 1425 CG2 ILE A 93 -3.988 12.186 8.676 1.00 12.21 C ATOM 1426 CD1 ILE A 93 -5.329 9.448 8.818 1.00 12.44 C ATOM 0 H ILE A 93 -2.565 9.382 6.178 1.00 30.51 H new ATOM 0 HA ILE A 93 -5.070 10.712 6.565 1.00 73.20 H new ATOM 0 HB ILE A 93 -2.368 11.020 7.918 1.00 3.12 H new ATOM 0 HG12 ILE A 93 -3.372 8.820 8.247 1.00 21.34 H new ATOM 0 HG13 ILE A 93 -3.426 9.740 9.737 1.00 21.34 H new ATOM 0 HG21 ILE A 93 -3.596 12.214 9.693 1.00 12.21 H new ATOM 0 HG22 ILE A 93 -3.672 13.081 8.140 1.00 12.21 H new ATOM 0 HG23 ILE A 93 -5.077 12.147 8.708 1.00 12.21 H new ATOM 0 HD11 ILE A 93 -5.522 8.532 9.377 1.00 12.44 H new ATOM 0 HD12 ILE A 93 -5.798 10.290 9.327 1.00 12.44 H new ATOM 0 HD13 ILE A 93 -5.743 9.355 7.814 1.00 12.44 H new ATOM 1438 N ASP A 94 -4.747 12.742 5.171 1.00 42.13 N ATOM 1439 CA ASP A 94 -4.604 13.967 4.407 1.00 73.40 C ATOM 1440 C ASP A 94 -4.730 15.181 5.304 1.00 43.14 C ATOM 1441 O ASP A 94 -5.825 15.704 5.519 1.00 62.12 O ATOM 1442 CB ASP A 94 -5.626 14.048 3.277 1.00 30.40 C ATOM 1443 CG ASP A 94 -5.345 13.061 2.165 1.00 50.10 C ATOM 1444 OD1 ASP A 94 -4.478 13.350 1.311 1.00 33.32 O ATOM 1445 OD2 ASP A 94 -6.008 12.002 2.126 1.00 1.33 O ATOM 0 H ASP A 94 -5.692 12.357 5.181 1.00 42.13 H new ATOM 0 HA ASP A 94 -3.608 13.955 3.965 1.00 73.40 H new ATOM 0 HB2 ASP A 94 -6.622 13.862 3.679 1.00 30.40 H new ATOM 0 HB3 ASP A 94 -5.631 15.058 2.868 1.00 30.40 H new ATOM 1450 N LEU A 95 -3.608 15.594 5.860 1.00 1.05 N ATOM 1451 CA LEU A 95 -3.533 16.841 6.600 1.00 74.23 C ATOM 1452 C LEU A 95 -2.999 17.935 5.687 1.00 63.24 C ATOM 1453 O LEU A 95 -2.758 19.068 6.106 1.00 62.13 O ATOM 1454 CB LEU A 95 -2.653 16.673 7.850 1.00 61.11 C ATOM 1455 CG LEU A 95 -1.340 15.900 7.651 1.00 52.25 C ATOM 1456 CD1 LEU A 95 -0.312 16.723 6.888 1.00 52.13 C ATOM 1457 CD2 LEU A 95 -0.777 15.467 8.994 1.00 52.21 C ATOM 0 H LEU A 95 -2.728 15.080 5.813 1.00 1.05 H new ATOM 0 HA LEU A 95 -4.529 17.126 6.939 1.00 74.23 H new ATOM 0 HB2 LEU A 95 -2.413 17.663 8.237 1.00 61.11 H new ATOM 0 HB3 LEU A 95 -3.238 16.165 8.616 1.00 61.11 H new ATOM 0 HG LEU A 95 -1.563 15.016 7.054 1.00 52.25 H new ATOM 0 HD11 LEU A 95 0.602 16.142 6.768 1.00 52.13 H new ATOM 0 HD12 LEU A 95 -0.709 16.982 5.907 1.00 52.13 H new ATOM 0 HD13 LEU A 95 -0.092 17.635 7.443 1.00 52.13 H new ATOM 0 HD21 LEU A 95 0.153 14.920 8.839 1.00 52.21 H new ATOM 0 HD22 LEU A 95 -0.583 16.347 9.608 1.00 52.21 H new ATOM 0 HD23 LEU A 95 -1.497 14.823 9.500 1.00 52.21 H new ATOM 1469 N ASP A 96 -2.812 17.560 4.428 1.00 12.52 N ATOM 1470 CA ASP A 96 -2.292 18.456 3.409 1.00 52.14 C ATOM 1471 C ASP A 96 -3.434 18.982 2.547 1.00 2.02 C ATOM 1472 O ASP A 96 -4.163 18.204 1.931 1.00 21.13 O ATOM 1473 CB ASP A 96 -1.269 17.714 2.544 1.00 40.41 C ATOM 1474 CG ASP A 96 -0.758 18.541 1.381 1.00 55.04 C ATOM 1475 OD1 ASP A 96 0.165 19.358 1.582 1.00 44.42 O ATOM 1476 OD2 ASP A 96 -1.252 18.360 0.251 1.00 13.12 O ATOM 0 H ASP A 96 -3.018 16.621 4.086 1.00 12.52 H new ATOM 0 HA ASP A 96 -1.801 19.302 3.889 1.00 52.14 H new ATOM 0 HB2 ASP A 96 -0.426 17.414 3.166 1.00 40.41 H new ATOM 0 HB3 ASP A 96 -1.722 16.800 2.160 1.00 40.41 H new ATOM 1481 N PRO A 97 -3.625 20.306 2.526 1.00 13.05 N ATOM 1482 CA PRO A 97 -4.683 20.942 1.738 1.00 43.12 C ATOM 1483 C PRO A 97 -4.428 20.821 0.238 1.00 14.10 C ATOM 1484 O PRO A 97 -3.543 21.537 -0.275 1.00 36.21 O ATOM 1485 CB PRO A 97 -4.642 22.413 2.174 1.00 13.20 C ATOM 1486 CG PRO A 97 -3.787 22.447 3.397 1.00 34.32 C ATOM 1487 CD PRO A 97 -2.837 21.292 3.274 1.00 54.42 C ATOM 1488 OXT PRO A 97 -5.121 20.016 -0.425 1.00 36.21 O ATOM 0 HA PRO A 97 -5.652 20.472 1.908 1.00 43.12 H new ATOM 0 HB2 PRO A 97 -4.226 23.043 1.388 1.00 13.20 H new ATOM 0 HB3 PRO A 97 -5.644 22.787 2.386 1.00 13.20 H new ATOM 0 HG2 PRO A 97 -3.246 23.391 3.468 1.00 34.32 H new ATOM 0 HG3 PRO A 97 -4.393 22.359 4.299 1.00 34.32 H new ATOM 0 HD2 PRO A 97 -1.927 21.571 2.743 1.00 54.42 H new ATOM 0 HD3 PRO A 97 -2.533 20.912 4.249 1.00 54.42 H new TER 1496 PRO A 97