USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 778 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 38 GLN : amide:sc= -2.34 K(o=-7.6,f=-11!) USER MOD Set 1.2: A 77 MET CE :methyl 156:sc= -5.27! (180deg=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 74:sc= 0.082 USER MOD Single : A 13 ASN : amide:sc= -0.0377 K(o=-0.038,f=-0.86) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 0.639 (180deg=0.136) USER MOD Single : A 28 SER OG : rot 180:sc= -0.896 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.2 F(o=-1.9,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -172:sc= 0.178 USER MOD Single : A 46 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 47 MET CE :methyl 149:sc= -0.0419 (180deg=-0.462) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-3.7!) USER MOD Single : A 57 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.2) USER MOD Single : A 59 TYR OH : rot 150:sc= -0.662 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0423) USER MOD Single : A 79 MET CE :methyl -122:sc= 0 (180deg=-1.25) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -0.917 (180deg=-4.27!) USER MOD Single : A 90 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.2!) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -1.74! (180deg=-1.95!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 95 HIS :FLIP no HE2:sc= -2.11 F(o=-3.7!,f=-2.1) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -55:sc= 0.291 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.987 -7.541 -8.904 1.00 0.00 N ATOM 2 CA GLY A 1 19.249 -6.126 -9.097 1.00 0.00 C ATOM 3 C GLY A 1 18.132 -5.252 -8.562 1.00 0.00 C ATOM 4 O GLY A 1 16.955 -5.520 -8.804 1.00 0.00 O ATOM 0 H1 GLY A 1 19.779 -8.096 -9.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.883 -7.739 -7.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.111 -7.802 -9.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.183 -5.861 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.385 -5.926 -10.160 1.00 0.00 H new ATOM 8 N SER A 2 18.500 -4.204 -7.833 1.00 0.00 N ATOM 9 CA SER A 2 17.520 -3.290 -7.258 1.00 0.00 C ATOM 10 C SER A 2 17.354 -2.051 -8.132 1.00 0.00 C ATOM 11 O SER A 2 18.329 -1.515 -8.659 1.00 0.00 O ATOM 12 CB SER A 2 17.941 -2.879 -5.846 1.00 0.00 C ATOM 13 OG SER A 2 17.778 -3.951 -4.933 1.00 0.00 O ATOM 0 H SER A 2 19.470 -3.966 -7.626 1.00 0.00 H new ATOM 0 HA SER A 2 16.563 -3.809 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.983 -2.558 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.347 -2.026 -5.520 1.00 0.00 H new ATOM 0 HG SER A 2 18.055 -3.664 -4.038 1.00 0.00 H new ATOM 19 N SER A 3 16.112 -1.601 -8.282 1.00 0.00 N ATOM 20 CA SER A 3 15.817 -0.427 -9.095 1.00 0.00 C ATOM 21 C SER A 3 14.714 0.412 -8.457 1.00 0.00 C ATOM 22 O SER A 3 13.737 -0.121 -7.934 1.00 0.00 O ATOM 23 CB SER A 3 15.401 -0.849 -10.505 1.00 0.00 C ATOM 24 OG SER A 3 15.675 0.174 -11.446 1.00 0.00 O ATOM 0 H SER A 3 15.294 -2.032 -7.851 1.00 0.00 H new ATOM 0 HA SER A 3 16.721 0.179 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.932 -1.758 -10.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.337 -1.084 -10.518 1.00 0.00 H new ATOM 0 HG SER A 3 15.401 -0.122 -12.339 1.00 0.00 H new ATOM 30 N GLY A 4 14.880 1.731 -8.504 1.00 0.00 N ATOM 31 CA GLY A 4 13.893 2.624 -7.927 1.00 0.00 C ATOM 32 C GLY A 4 14.150 4.076 -8.277 1.00 0.00 C ATOM 33 O GLY A 4 15.133 4.396 -8.946 1.00 0.00 O ATOM 0 H GLY A 4 15.681 2.196 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.901 2.339 -8.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.893 2.509 -6.843 1.00 0.00 H new ATOM 37 N SER A 5 13.264 4.958 -7.825 1.00 0.00 N ATOM 38 CA SER A 5 13.398 6.384 -8.098 1.00 0.00 C ATOM 39 C SER A 5 14.806 6.871 -7.772 1.00 0.00 C ATOM 40 O SER A 5 15.488 6.306 -6.917 1.00 0.00 O ATOM 41 CB SER A 5 12.371 7.179 -7.288 1.00 0.00 C ATOM 42 OG SER A 5 11.049 6.847 -7.675 1.00 0.00 O ATOM 0 H SER A 5 12.446 4.710 -7.268 1.00 0.00 H new ATOM 0 HA SER A 5 13.215 6.543 -9.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.504 6.975 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.538 8.247 -7.431 1.00 0.00 H new ATOM 0 HG SER A 5 10.412 7.367 -7.142 1.00 0.00 H new ATOM 48 N SER A 6 15.236 7.923 -8.460 1.00 0.00 N ATOM 49 CA SER A 6 16.565 8.485 -8.248 1.00 0.00 C ATOM 50 C SER A 6 16.528 9.582 -7.189 1.00 0.00 C ATOM 51 O SER A 6 15.792 10.560 -7.317 1.00 0.00 O ATOM 52 CB SER A 6 17.122 9.044 -9.559 1.00 0.00 C ATOM 53 OG SER A 6 17.757 8.029 -10.317 1.00 0.00 O ATOM 0 H SER A 6 14.683 8.404 -9.170 1.00 0.00 H new ATOM 0 HA SER A 6 17.218 7.686 -7.896 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.314 9.486 -10.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.834 9.841 -9.345 1.00 0.00 H new ATOM 0 HG SER A 6 18.103 8.411 -11.151 1.00 0.00 H new ATOM 59 N GLY A 7 17.329 9.413 -6.141 1.00 0.00 N ATOM 60 CA GLY A 7 17.373 10.396 -5.074 1.00 0.00 C ATOM 61 C GLY A 7 18.270 9.968 -3.929 1.00 0.00 C ATOM 62 O GLY A 7 18.083 8.910 -3.328 1.00 0.00 O ATOM 0 H GLY A 7 17.948 8.613 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.727 11.346 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.364 10.565 -4.698 1.00 0.00 H new ATOM 66 N PRO A 8 19.271 10.803 -3.613 1.00 0.00 N ATOM 67 CA PRO A 8 20.220 10.526 -2.530 1.00 0.00 C ATOM 68 C PRO A 8 19.573 10.623 -1.153 1.00 0.00 C ATOM 69 O PRO A 8 20.193 10.294 -0.141 1.00 0.00 O ATOM 70 CB PRO A 8 21.280 11.617 -2.701 1.00 0.00 C ATOM 71 CG PRO A 8 20.570 12.731 -3.390 1.00 0.00 C ATOM 72 CD PRO A 8 19.553 12.082 -4.287 1.00 0.00 C ATOM 0 HA PRO A 8 20.618 9.513 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.678 11.937 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 8 22.124 11.260 -3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 8 20.089 13.392 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 8 21.266 13.340 -3.966 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.655 12.692 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.944 11.929 -5.293 1.00 0.00 H new ATOM 80 N ILE A 9 18.324 11.076 -1.121 1.00 0.00 N ATOM 81 CA ILE A 9 17.594 11.214 0.132 1.00 0.00 C ATOM 82 C ILE A 9 16.698 10.006 0.383 1.00 0.00 C ATOM 83 O ILE A 9 16.654 9.473 1.492 1.00 0.00 O ATOM 84 CB ILE A 9 16.730 12.490 0.143 1.00 0.00 C ATOM 85 CG1 ILE A 9 16.050 12.660 1.503 1.00 0.00 C ATOM 86 CG2 ILE A 9 15.695 12.438 -0.970 1.00 0.00 C ATOM 87 CD1 ILE A 9 16.983 13.150 2.588 1.00 0.00 C ATOM 0 H ILE A 9 17.797 11.354 -1.949 1.00 0.00 H new ATOM 0 HA ILE A 9 18.339 11.282 0.925 1.00 0.00 H new ATOM 0 HB ILE A 9 17.377 13.351 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.223 13.363 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.621 11.705 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 9 15.092 13.346 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 9 16.200 12.359 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 9 15.050 11.571 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.433 13.247 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.797 12.436 2.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.392 14.120 2.305 1.00 0.00 H new ATOM 99 N SER A 10 15.988 9.577 -0.655 1.00 0.00 N ATOM 100 CA SER A 10 15.092 8.432 -0.548 1.00 0.00 C ATOM 101 C SER A 10 14.401 8.408 0.813 1.00 0.00 C ATOM 102 O SER A 10 14.198 7.345 1.398 1.00 0.00 O ATOM 103 CB SER A 10 15.866 7.130 -0.762 1.00 0.00 C ATOM 104 OG SER A 10 15.956 6.811 -2.140 1.00 0.00 O ATOM 0 H SER A 10 16.016 10.005 -1.580 1.00 0.00 H new ATOM 0 HA SER A 10 14.330 8.525 -1.322 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.867 7.225 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.372 6.318 -0.229 1.00 0.00 H new ATOM 0 HG SER A 10 16.604 7.406 -2.572 1.00 0.00 H new ATOM 110 N GLU A 11 14.043 9.589 1.308 1.00 0.00 N ATOM 111 CA GLU A 11 13.376 9.704 2.600 1.00 0.00 C ATOM 112 C GLU A 11 12.141 8.810 2.656 1.00 0.00 C ATOM 113 O GLU A 11 11.800 8.142 1.679 1.00 0.00 O ATOM 114 CB GLU A 11 12.980 11.157 2.866 1.00 0.00 C ATOM 115 CG GLU A 11 11.791 11.625 2.044 1.00 0.00 C ATOM 116 CD GLU A 11 12.201 12.225 0.714 1.00 0.00 C ATOM 117 OE1 GLU A 11 12.637 13.395 0.701 1.00 0.00 O ATOM 118 OE2 GLU A 11 12.085 11.526 -0.314 1.00 0.00 O ATOM 0 H GLU A 11 14.203 10.478 0.835 1.00 0.00 H new ATOM 0 HA GLU A 11 14.074 9.378 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.747 11.273 3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.833 11.802 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.122 10.783 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.229 12.365 2.614 1.00 0.00 H new ATOM 125 N ARG A 12 11.474 8.803 3.805 1.00 0.00 N ATOM 126 CA ARG A 12 10.278 7.991 3.990 1.00 0.00 C ATOM 127 C ARG A 12 9.017 8.828 3.797 1.00 0.00 C ATOM 128 O ARG A 12 8.585 9.536 4.705 1.00 0.00 O ATOM 129 CB ARG A 12 10.275 7.359 5.383 1.00 0.00 C ATOM 130 CG ARG A 12 9.274 6.225 5.536 1.00 0.00 C ATOM 131 CD ARG A 12 9.705 4.993 4.757 1.00 0.00 C ATOM 132 NE ARG A 12 10.848 4.326 5.375 1.00 0.00 N ATOM 133 CZ ARG A 12 10.737 3.426 6.345 1.00 0.00 C ATOM 134 NH1 ARG A 12 9.541 3.086 6.805 1.00 0.00 N ATOM 135 NH2 ARG A 12 11.825 2.863 6.857 1.00 0.00 N ATOM 0 H ARG A 12 11.742 9.351 4.622 1.00 0.00 H new ATOM 0 HA ARG A 12 10.287 7.200 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.274 6.983 5.604 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.054 8.129 6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.168 5.971 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.295 6.553 5.187 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.870 4.295 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.961 5.280 3.737 1.00 0.00 H new ATOM 0 HE ARG A 12 11.783 4.565 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.703 3.516 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.459 2.394 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.747 3.122 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.739 2.172 7.602 1.00 0.00 H new ATOM 149 N ASN A 13 8.432 8.741 2.607 1.00 0.00 N ATOM 150 CA ASN A 13 7.221 9.492 2.293 1.00 0.00 C ATOM 151 C ASN A 13 6.144 9.250 3.346 1.00 0.00 C ATOM 152 O ASN A 13 5.440 10.174 3.752 1.00 0.00 O ATOM 153 CB ASN A 13 6.697 9.099 0.911 1.00 0.00 C ATOM 154 CG ASN A 13 7.705 9.372 -0.189 1.00 0.00 C ATOM 155 OD1 ASN A 13 8.620 10.178 -0.021 1.00 0.00 O ATOM 156 ND2 ASN A 13 7.539 8.701 -1.323 1.00 0.00 N ATOM 0 H ASN A 13 8.776 8.158 1.844 1.00 0.00 H new ATOM 0 HA ASN A 13 7.470 10.553 2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.441 8.040 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.779 9.649 0.704 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.185 8.844 -2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.766 8.042 -1.417 1.00 0.00 H new ATOM 163 N GLN A 14 6.022 8.001 3.784 1.00 0.00 N ATOM 164 CA GLN A 14 5.031 7.637 4.789 1.00 0.00 C ATOM 165 C GLN A 14 3.625 8.005 4.325 1.00 0.00 C ATOM 166 O GLN A 14 2.741 8.271 5.140 1.00 0.00 O ATOM 167 CB GLN A 14 5.340 8.332 6.116 1.00 0.00 C ATOM 168 CG GLN A 14 6.332 7.574 6.983 1.00 0.00 C ATOM 169 CD GLN A 14 6.186 7.897 8.457 1.00 0.00 C ATOM 170 OE1 GLN A 14 5.248 7.445 9.113 1.00 0.00 O ATOM 171 NE2 GLN A 14 7.115 8.685 8.986 1.00 0.00 N ATOM 0 H GLN A 14 6.597 7.224 3.458 1.00 0.00 H new ATOM 0 HA GLN A 14 5.076 6.557 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.735 9.327 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.412 8.465 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.194 6.503 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.346 7.812 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.876 9.038 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.068 8.938 9.973 1.00 0.00 H new ATOM 180 N ASP A 15 3.426 8.018 3.012 1.00 0.00 N ATOM 181 CA ASP A 15 2.127 8.352 2.439 1.00 0.00 C ATOM 182 C ASP A 15 1.678 7.283 1.449 1.00 0.00 C ATOM 183 O ASP A 15 0.491 6.975 1.347 1.00 0.00 O ATOM 184 CB ASP A 15 2.187 9.714 1.745 1.00 0.00 C ATOM 185 CG ASP A 15 0.816 10.340 1.578 1.00 0.00 C ATOM 186 OD1 ASP A 15 0.175 10.646 2.605 1.00 0.00 O ATOM 187 OD2 ASP A 15 0.384 10.523 0.421 1.00 0.00 O ATOM 0 H ASP A 15 4.147 7.801 2.324 1.00 0.00 H new ATOM 0 HA ASP A 15 1.401 8.398 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.822 10.385 2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.653 9.599 0.766 1.00 0.00 H new ATOM 192 N ALA A 16 2.636 6.720 0.719 1.00 0.00 N ATOM 193 CA ALA A 16 2.340 5.684 -0.263 1.00 0.00 C ATOM 194 C ALA A 16 2.850 4.325 0.202 1.00 0.00 C ATOM 195 O ALA A 16 2.543 3.295 -0.400 1.00 0.00 O ATOM 196 CB ALA A 16 2.947 6.045 -1.610 1.00 0.00 C ATOM 0 H ALA A 16 3.624 6.964 0.789 1.00 0.00 H new ATOM 0 HA ALA A 16 1.257 5.619 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.718 5.263 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.530 6.991 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.028 6.140 -1.508 1.00 0.00 H new ATOM 202 N THR A 17 3.631 4.327 1.278 1.00 0.00 N ATOM 203 CA THR A 17 4.186 3.095 1.823 1.00 0.00 C ATOM 204 C THR A 17 3.230 2.457 2.825 1.00 0.00 C ATOM 205 O THR A 17 2.393 3.137 3.419 1.00 0.00 O ATOM 206 CB THR A 17 5.541 3.344 2.511 1.00 0.00 C ATOM 207 OG1 THR A 17 6.422 4.040 1.621 1.00 0.00 O ATOM 208 CG2 THR A 17 6.180 2.032 2.941 1.00 0.00 C ATOM 0 H THR A 17 3.893 5.170 1.789 1.00 0.00 H new ATOM 0 HA THR A 17 4.333 2.417 0.982 1.00 0.00 H new ATOM 0 HB THR A 17 5.366 3.952 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.281 4.196 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.136 2.234 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.521 1.518 3.641 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.342 1.402 2.066 1.00 0.00 H new ATOM 216 N VAL A 18 3.360 1.147 3.008 1.00 0.00 N ATOM 217 CA VAL A 18 2.508 0.418 3.940 1.00 0.00 C ATOM 218 C VAL A 18 3.310 -0.097 5.130 1.00 0.00 C ATOM 219 O VAL A 18 4.536 -0.194 5.070 1.00 0.00 O ATOM 220 CB VAL A 18 1.811 -0.771 3.252 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.353 -0.384 1.854 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.738 -1.976 3.204 1.00 0.00 C ATOM 0 H VAL A 18 4.047 0.569 2.523 1.00 0.00 H new ATOM 0 HA VAL A 18 1.751 1.119 4.291 1.00 0.00 H new ATOM 0 HB VAL A 18 0.931 -1.042 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.863 -1.236 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.652 0.448 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.216 -0.086 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.230 -2.807 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.638 -1.721 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.012 -2.265 4.219 1.00 0.00 H new ATOM 232 N TYR A 19 2.610 -0.427 6.210 1.00 0.00 N ATOM 233 CA TYR A 19 3.257 -0.931 7.415 1.00 0.00 C ATOM 234 C TYR A 19 2.980 -2.419 7.601 1.00 0.00 C ATOM 235 O TYR A 19 1.889 -2.814 8.011 1.00 0.00 O ATOM 236 CB TYR A 19 2.774 -0.154 8.641 1.00 0.00 C ATOM 237 CG TYR A 19 3.628 -0.370 9.870 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.809 -1.642 10.399 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.252 0.697 10.503 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.587 -1.845 11.523 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.034 0.504 11.626 1.00 0.00 C ATOM 242 CZ TYR A 19 5.198 -0.768 12.132 1.00 0.00 C ATOM 243 OH TYR A 19 5.975 -0.965 13.251 1.00 0.00 O ATOM 0 H TYR A 19 1.595 -0.354 6.275 1.00 0.00 H new ATOM 0 HA TYR A 19 4.332 -0.792 7.304 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.757 0.910 8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.748 -0.447 8.865 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.333 -2.487 9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.124 1.695 10.111 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.716 -2.840 11.922 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.514 1.345 12.105 1.00 0.00 H new ATOM 0 HH TYR A 19 6.333 -0.105 13.556 1.00 0.00 H new ATOM 253 N VAL A 20 3.978 -3.243 7.296 1.00 0.00 N ATOM 254 CA VAL A 20 3.845 -4.688 7.430 1.00 0.00 C ATOM 255 C VAL A 20 4.419 -5.173 8.756 1.00 0.00 C ATOM 256 O VAL A 20 5.591 -4.950 9.056 1.00 0.00 O ATOM 257 CB VAL A 20 4.551 -5.427 6.277 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.346 -6.929 6.399 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.050 -4.919 4.934 1.00 0.00 C ATOM 0 H VAL A 20 4.888 -2.933 6.954 1.00 0.00 H new ATOM 0 HA VAL A 20 2.779 -4.911 7.396 1.00 0.00 H new ATOM 0 HB VAL A 20 5.620 -5.225 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.852 -7.433 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.759 -7.277 7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.280 -7.155 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.559 -5.452 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.976 -5.089 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.255 -3.852 4.849 1.00 0.00 H new ATOM 269 N GLY A 21 3.584 -5.838 9.549 1.00 0.00 N ATOM 270 CA GLY A 21 4.027 -6.344 10.835 1.00 0.00 C ATOM 271 C GLY A 21 3.514 -7.743 11.115 1.00 0.00 C ATOM 272 O GLY A 21 2.343 -7.929 11.443 1.00 0.00 O ATOM 0 H GLY A 21 2.609 -6.035 9.324 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.117 -6.347 10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.688 -5.671 11.623 1.00 0.00 H new ATOM 276 N GLY A 22 4.394 -8.731 10.984 1.00 0.00 N ATOM 277 CA GLY A 22 4.005 -10.108 11.227 1.00 0.00 C ATOM 278 C GLY A 22 4.240 -10.998 10.023 1.00 0.00 C ATOM 279 O GLY A 22 3.353 -11.748 9.613 1.00 0.00 O ATOM 0 H GLY A 22 5.369 -8.602 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.566 -10.496 12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.950 -10.142 11.499 1.00 0.00 H new ATOM 283 N LEU A 23 5.437 -10.916 9.454 1.00 0.00 N ATOM 284 CA LEU A 23 5.787 -11.720 8.287 1.00 0.00 C ATOM 285 C LEU A 23 6.509 -12.998 8.703 1.00 0.00 C ATOM 286 O LEU A 23 7.263 -13.008 9.676 1.00 0.00 O ATOM 287 CB LEU A 23 6.667 -10.912 7.332 1.00 0.00 C ATOM 288 CG LEU A 23 5.995 -9.721 6.647 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.041 -8.769 6.085 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.059 -10.197 5.546 1.00 0.00 C ATOM 0 H LEU A 23 6.182 -10.301 9.781 1.00 0.00 H new ATOM 0 HA LEU A 23 4.864 -11.995 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.531 -10.547 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.044 -11.584 6.561 1.00 0.00 H new ATOM 0 HG LEU A 23 5.406 -9.184 7.390 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.545 -7.928 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.671 -8.402 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.657 -9.295 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.590 -9.336 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.626 -10.758 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.289 -10.839 5.975 1.00 0.00 H new ATOM 302 N ASP A 24 6.274 -14.073 7.959 1.00 0.00 N ATOM 303 CA ASP A 24 6.904 -15.356 8.248 1.00 0.00 C ATOM 304 C ASP A 24 8.396 -15.311 7.935 1.00 0.00 C ATOM 305 O ASP A 24 8.896 -14.328 7.389 1.00 0.00 O ATOM 306 CB ASP A 24 6.234 -16.470 7.443 1.00 0.00 C ATOM 307 CG ASP A 24 6.654 -17.851 7.905 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.111 -18.326 8.926 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.524 -18.458 7.247 1.00 0.00 O ATOM 0 H ASP A 24 5.652 -14.082 7.151 1.00 0.00 H new ATOM 0 HA ASP A 24 6.780 -15.563 9.311 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.151 -16.375 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.482 -16.352 6.388 1.00 0.00 H new ATOM 314 N GLU A 25 9.102 -16.381 8.286 1.00 0.00 N ATOM 315 CA GLU A 25 10.537 -16.462 8.044 1.00 0.00 C ATOM 316 C GLU A 25 10.833 -16.533 6.549 1.00 0.00 C ATOM 317 O GLU A 25 11.756 -15.884 6.055 1.00 0.00 O ATOM 318 CB GLU A 25 11.128 -17.684 8.751 1.00 0.00 C ATOM 319 CG GLU A 25 10.582 -19.006 8.239 1.00 0.00 C ATOM 320 CD GLU A 25 11.141 -20.199 8.991 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.356 -20.199 9.281 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.365 -21.130 9.289 1.00 0.00 O ATOM 0 H GLU A 25 8.703 -17.203 8.739 1.00 0.00 H new ATOM 0 HA GLU A 25 10.999 -15.560 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.211 -17.676 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.928 -17.607 9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.495 -19.004 8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.818 -19.106 7.180 1.00 0.00 H new ATOM 329 N LYS A 26 10.045 -17.327 5.832 1.00 0.00 N ATOM 330 CA LYS A 26 10.220 -17.485 4.393 1.00 0.00 C ATOM 331 C LYS A 26 10.144 -16.136 3.685 1.00 0.00 C ATOM 332 O LYS A 26 10.976 -15.822 2.834 1.00 0.00 O ATOM 333 CB LYS A 26 9.156 -18.429 3.829 1.00 0.00 C ATOM 334 CG LYS A 26 9.366 -19.883 4.216 1.00 0.00 C ATOM 335 CD LYS A 26 8.868 -20.826 3.134 1.00 0.00 C ATOM 336 CE LYS A 26 7.364 -20.703 2.938 1.00 0.00 C ATOM 337 NZ LYS A 26 7.021 -19.688 1.904 1.00 0.00 N ATOM 0 H LYS A 26 9.278 -17.872 6.225 1.00 0.00 H new ATOM 0 HA LYS A 26 11.207 -17.914 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.175 -18.107 4.178 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.150 -18.348 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.426 -20.063 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.843 -20.091 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.378 -20.607 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.119 -21.853 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.955 -21.671 2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.896 -20.431 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.278 -19.058 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.867 -19.129 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.678 -20.167 1.047 1.00 0.00 H new ATOM 351 N VAL A 27 9.141 -15.340 4.044 1.00 0.00 N ATOM 352 CA VAL A 27 8.958 -14.023 3.444 1.00 0.00 C ATOM 353 C VAL A 27 10.299 -13.393 3.083 1.00 0.00 C ATOM 354 O VAL A 27 11.289 -13.566 3.793 1.00 0.00 O ATOM 355 CB VAL A 27 8.197 -13.077 4.391 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.065 -11.694 3.771 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.830 -13.650 4.732 1.00 0.00 C ATOM 0 H VAL A 27 8.443 -15.584 4.747 1.00 0.00 H new ATOM 0 HA VAL A 27 8.371 -14.166 2.537 1.00 0.00 H new ATOM 0 HB VAL A 27 8.766 -12.982 5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.525 -11.039 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.057 -11.283 3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.519 -11.767 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.307 -12.968 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.250 -13.777 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.952 -14.617 5.221 1.00 0.00 H new ATOM 367 N SER A 28 10.322 -12.662 1.973 1.00 0.00 N ATOM 368 CA SER A 28 11.542 -12.008 1.515 1.00 0.00 C ATOM 369 C SER A 28 11.241 -10.613 0.975 1.00 0.00 C ATOM 370 O SER A 28 10.081 -10.217 0.863 1.00 0.00 O ATOM 371 CB SER A 28 12.222 -12.850 0.433 1.00 0.00 C ATOM 372 OG SER A 28 11.445 -12.881 -0.752 1.00 0.00 O ATOM 0 H SER A 28 9.510 -12.508 1.375 1.00 0.00 H new ATOM 0 HA SER A 28 12.215 -11.912 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.208 -12.440 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.373 -13.865 0.799 1.00 0.00 H new ATOM 0 HG SER A 28 11.902 -13.424 -1.428 1.00 0.00 H new ATOM 378 N GLU A 29 12.294 -9.874 0.642 1.00 0.00 N ATOM 379 CA GLU A 29 12.143 -8.523 0.115 1.00 0.00 C ATOM 380 C GLU A 29 11.483 -8.546 -1.261 1.00 0.00 C ATOM 381 O GLU A 29 10.469 -7.891 -1.502 1.00 0.00 O ATOM 382 CB GLU A 29 13.504 -7.830 0.028 1.00 0.00 C ATOM 383 CG GLU A 29 13.839 -6.989 1.248 1.00 0.00 C ATOM 384 CD GLU A 29 15.326 -6.952 1.541 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.029 -7.915 1.171 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.787 -5.958 2.142 1.00 0.00 O ATOM 0 H GLU A 29 13.261 -10.188 0.728 1.00 0.00 H new ATOM 0 HA GLU A 29 11.502 -7.965 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.279 -8.585 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.522 -7.194 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.478 -5.972 1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.312 -7.387 2.115 1.00 0.00 H new ATOM 393 N PRO A 30 12.071 -9.319 -2.186 1.00 0.00 N ATOM 394 CA PRO A 30 11.558 -9.447 -3.553 1.00 0.00 C ATOM 395 C PRO A 30 10.241 -10.214 -3.609 1.00 0.00 C ATOM 396 O PRO A 30 9.709 -10.477 -4.688 1.00 0.00 O ATOM 397 CB PRO A 30 12.661 -10.226 -4.274 1.00 0.00 C ATOM 398 CG PRO A 30 13.351 -10.991 -3.198 1.00 0.00 C ATOM 399 CD PRO A 30 13.282 -10.128 -1.968 1.00 0.00 C ATOM 0 HA PRO A 30 11.341 -8.476 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.245 -10.893 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.350 -9.554 -4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.865 -11.952 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.385 -11.201 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.207 -10.727 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.169 -9.503 -1.865 1.00 0.00 H new ATOM 407 N LEU A 31 9.720 -10.570 -2.440 1.00 0.00 N ATOM 408 CA LEU A 31 8.463 -11.307 -2.355 1.00 0.00 C ATOM 409 C LEU A 31 7.283 -10.353 -2.198 1.00 0.00 C ATOM 410 O LEU A 31 6.301 -10.438 -2.937 1.00 0.00 O ATOM 411 CB LEU A 31 8.502 -12.287 -1.181 1.00 0.00 C ATOM 412 CG LEU A 31 7.200 -13.033 -0.887 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.931 -14.079 -1.958 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.255 -13.679 0.490 1.00 0.00 C ATOM 0 H LEU A 31 10.148 -10.361 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 31 8.334 -11.866 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.283 -13.022 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.794 -11.739 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 31 6.381 -12.314 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.001 -14.600 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.848 -13.592 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.752 -14.796 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.320 -14.206 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.084 -14.386 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.400 -12.909 1.248 1.00 0.00 H new ATOM 426 N LEU A 32 7.386 -9.446 -1.233 1.00 0.00 N ATOM 427 CA LEU A 32 6.328 -8.474 -0.980 1.00 0.00 C ATOM 428 C LEU A 32 6.012 -7.673 -2.239 1.00 0.00 C ATOM 429 O LEU A 32 4.848 -7.427 -2.555 1.00 0.00 O ATOM 430 CB LEU A 32 6.736 -7.529 0.151 1.00 0.00 C ATOM 431 CG LEU A 32 7.334 -8.189 1.394 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.845 -7.135 2.364 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.304 -9.083 2.070 1.00 0.00 C ATOM 0 H LEU A 32 8.191 -9.363 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 32 5.431 -9.019 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.461 -6.816 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.859 -6.957 0.454 1.00 0.00 H new ATOM 0 HG LEU A 32 8.176 -8.808 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.267 -7.623 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.614 -6.535 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.020 -6.490 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.746 -9.545 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.442 -8.485 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.985 -9.860 1.375 1.00 0.00 H new ATOM 445 N TRP A 33 7.056 -7.271 -2.955 1.00 0.00 N ATOM 446 CA TRP A 33 6.890 -6.499 -4.181 1.00 0.00 C ATOM 447 C TRP A 33 5.766 -7.072 -5.037 1.00 0.00 C ATOM 448 O TRP A 33 4.700 -6.470 -5.161 1.00 0.00 O ATOM 449 CB TRP A 33 8.195 -6.480 -4.978 1.00 0.00 C ATOM 450 CG TRP A 33 8.313 -5.304 -5.899 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.346 -4.814 -6.730 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.463 -4.471 -6.084 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.825 -3.727 -7.420 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.121 -3.496 -7.042 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.747 -4.454 -5.533 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.019 -2.516 -7.458 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.636 -3.481 -5.948 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.269 -2.523 -6.902 1.00 0.00 C ATOM 0 H TRP A 33 8.026 -7.467 -2.708 1.00 0.00 H new ATOM 0 HA TRP A 33 6.627 -5.478 -3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.036 -6.474 -4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.269 -7.398 -5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.351 -5.221 -6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.301 -3.181 -8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.039 -5.188 -4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.738 -1.777 -8.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.631 -3.459 -5.530 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.987 -1.775 -7.205 1.00 0.00 H new ATOM 469 N GLU A 34 6.012 -8.238 -5.626 1.00 0.00 N ATOM 470 CA GLU A 34 5.019 -8.891 -6.471 1.00 0.00 C ATOM 471 C GLU A 34 3.745 -9.187 -5.684 1.00 0.00 C ATOM 472 O GLU A 34 2.636 -8.951 -6.165 1.00 0.00 O ATOM 473 CB GLU A 34 5.586 -10.188 -7.052 1.00 0.00 C ATOM 474 CG GLU A 34 6.516 -9.970 -8.234 1.00 0.00 C ATOM 475 CD GLU A 34 7.076 -11.268 -8.783 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.277 -12.188 -9.058 1.00 0.00 O ATOM 477 OE2 GLU A 34 8.311 -11.364 -8.936 1.00 0.00 O ATOM 0 H GLU A 34 6.890 -8.749 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 34 4.771 -8.213 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.126 -10.721 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.761 -10.828 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.977 -9.448 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.339 -9.324 -7.929 1.00 0.00 H new ATOM 484 N LEU A 35 3.912 -9.707 -4.473 1.00 0.00 N ATOM 485 CA LEU A 35 2.777 -10.036 -3.619 1.00 0.00 C ATOM 486 C LEU A 35 1.881 -8.820 -3.410 1.00 0.00 C ATOM 487 O LEU A 35 0.675 -8.952 -3.199 1.00 0.00 O ATOM 488 CB LEU A 35 3.266 -10.562 -2.268 1.00 0.00 C ATOM 489 CG LEU A 35 2.222 -10.616 -1.151 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.220 -11.730 -1.412 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.896 -10.808 0.200 1.00 0.00 C ATOM 0 H LEU A 35 4.823 -9.910 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 35 2.194 -10.812 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.665 -11.566 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.094 -9.936 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 35 1.685 -9.668 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.485 -11.754 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.714 -11.550 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.742 -12.686 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.138 -10.844 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.459 -11.741 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.574 -9.976 0.390 1.00 0.00 H new ATOM 503 N PHE A 36 2.478 -7.634 -3.473 1.00 0.00 N ATOM 504 CA PHE A 36 1.734 -6.393 -3.292 1.00 0.00 C ATOM 505 C PHE A 36 1.314 -5.810 -4.638 1.00 0.00 C ATOM 506 O PHE A 36 0.292 -5.131 -4.742 1.00 0.00 O ATOM 507 CB PHE A 36 2.578 -5.374 -2.524 1.00 0.00 C ATOM 508 CG PHE A 36 2.419 -5.467 -1.033 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.933 -6.546 -0.333 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.755 -4.473 -0.331 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.787 -6.634 1.038 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.605 -4.555 1.040 1.00 0.00 C ATOM 513 CZ PHE A 36 2.123 -5.636 1.726 1.00 0.00 C ATOM 0 H PHE A 36 3.475 -7.506 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 36 0.836 -6.618 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.628 -5.518 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.305 -4.370 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.454 -7.328 -0.865 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.350 -3.624 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.191 -7.482 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.083 -3.775 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.009 -5.701 2.798 1.00 0.00 H new ATOM 523 N LEU A 37 2.110 -6.079 -5.667 1.00 0.00 N ATOM 524 CA LEU A 37 1.823 -5.581 -7.008 1.00 0.00 C ATOM 525 C LEU A 37 0.331 -5.664 -7.311 1.00 0.00 C ATOM 526 O LEU A 37 -0.220 -4.807 -8.001 1.00 0.00 O ATOM 527 CB LEU A 37 2.612 -6.377 -8.049 1.00 0.00 C ATOM 528 CG LEU A 37 4.069 -5.959 -8.251 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.757 -6.885 -9.242 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.148 -4.515 -8.724 1.00 0.00 C ATOM 0 H LEU A 37 2.960 -6.639 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 37 2.127 -4.535 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.593 -7.429 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.096 -6.297 -9.006 1.00 0.00 H new ATOM 0 HG LEU A 37 4.586 -6.036 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.793 -6.572 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.732 -7.907 -8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.240 -6.840 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.192 -4.234 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.616 -4.412 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.693 -3.863 -7.979 1.00 0.00 H new ATOM 542 N GLN A 38 -0.317 -6.701 -6.789 1.00 0.00 N ATOM 543 CA GLN A 38 -1.746 -6.894 -7.004 1.00 0.00 C ATOM 544 C GLN A 38 -2.525 -5.628 -6.662 1.00 0.00 C ATOM 545 O GLN A 38 -3.412 -5.214 -7.407 1.00 0.00 O ATOM 546 CB GLN A 38 -2.257 -8.063 -6.159 1.00 0.00 C ATOM 547 CG GLN A 38 -1.573 -8.181 -4.806 1.00 0.00 C ATOM 548 CD GLN A 38 -2.296 -9.126 -3.868 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.347 -8.793 -3.320 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.735 -10.315 -3.677 1.00 0.00 N ATOM 0 H GLN A 38 0.125 -7.419 -6.215 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.901 -7.121 -8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.330 -7.948 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.112 -8.991 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.550 -8.529 -4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.512 -7.195 -4.346 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.863 -10.550 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.176 -10.993 -3.056 1.00 0.00 H new ATOM 559 N ALA A 39 -2.185 -5.017 -5.532 1.00 0.00 N ATOM 560 CA ALA A 39 -2.851 -3.797 -5.092 1.00 0.00 C ATOM 561 C ALA A 39 -2.517 -2.628 -6.013 1.00 0.00 C ATOM 562 O ALA A 39 -3.396 -1.859 -6.400 1.00 0.00 O ATOM 563 CB ALA A 39 -2.461 -3.470 -3.658 1.00 0.00 C ATOM 0 H ALA A 39 -1.452 -5.347 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.927 -3.964 -5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.966 -2.557 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.755 -4.291 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.382 -3.327 -3.598 1.00 0.00 H new ATOM 569 N GLY A 40 -1.240 -2.499 -6.359 1.00 0.00 N ATOM 570 CA GLY A 40 -0.812 -1.421 -7.231 1.00 0.00 C ATOM 571 C GLY A 40 0.624 -1.579 -7.688 1.00 0.00 C ATOM 572 O GLY A 40 1.307 -2.541 -7.338 1.00 0.00 O ATOM 0 H GLY A 40 -0.494 -3.122 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.465 -1.382 -8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.921 -0.471 -6.709 1.00 0.00 H new ATOM 576 N PRO A 41 1.103 -0.617 -8.490 1.00 0.00 N ATOM 577 CA PRO A 41 2.473 -0.631 -9.014 1.00 0.00 C ATOM 578 C PRO A 41 3.512 -0.378 -7.927 1.00 0.00 C ATOM 579 O PRO A 41 3.955 0.753 -7.729 1.00 0.00 O ATOM 580 CB PRO A 41 2.475 0.511 -10.032 1.00 0.00 C ATOM 581 CG PRO A 41 1.400 1.433 -9.571 1.00 0.00 C ATOM 582 CD PRO A 41 0.346 0.560 -8.948 1.00 0.00 C ATOM 0 HA PRO A 41 2.737 -1.599 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.442 1.014 -10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.276 0.144 -11.039 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.786 2.154 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.991 2.004 -10.405 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.154 1.063 -8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.426 0.286 -9.668 1.00 0.00 H new ATOM 590 N VAL A 42 3.897 -1.439 -7.225 1.00 0.00 N ATOM 591 CA VAL A 42 4.886 -1.332 -6.159 1.00 0.00 C ATOM 592 C VAL A 42 6.178 -0.704 -6.668 1.00 0.00 C ATOM 593 O VAL A 42 6.698 -1.091 -7.715 1.00 0.00 O ATOM 594 CB VAL A 42 5.204 -2.709 -5.547 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.306 -2.590 -4.506 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.951 -3.325 -4.942 1.00 0.00 C ATOM 0 H VAL A 42 3.539 -2.382 -7.375 1.00 0.00 H new ATOM 0 HA VAL A 42 4.453 -0.692 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 42 5.558 -3.367 -6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.517 -3.573 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.208 -2.195 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.985 -1.916 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.194 -4.298 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.565 -2.671 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.195 -3.448 -5.718 1.00 0.00 H new ATOM 606 N VAL A 43 6.693 0.267 -5.921 1.00 0.00 N ATOM 607 CA VAL A 43 7.926 0.949 -6.296 1.00 0.00 C ATOM 608 C VAL A 43 9.149 0.186 -5.799 1.00 0.00 C ATOM 609 O VAL A 43 10.055 -0.125 -6.570 1.00 0.00 O ATOM 610 CB VAL A 43 7.967 2.383 -5.737 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.008 3.214 -6.472 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.594 3.031 -5.831 1.00 0.00 C ATOM 0 H VAL A 43 6.275 0.599 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 43 7.945 0.991 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 43 8.251 2.336 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.022 4.224 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.991 2.759 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.758 3.255 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.642 4.044 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.279 3.067 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.876 2.447 -5.255 1.00 0.00 H new ATOM 622 N ASN A 44 9.166 -0.113 -4.504 1.00 0.00 N ATOM 623 CA ASN A 44 10.278 -0.840 -3.902 1.00 0.00 C ATOM 624 C ASN A 44 9.863 -1.467 -2.574 1.00 0.00 C ATOM 625 O ASN A 44 8.859 -1.077 -1.977 1.00 0.00 O ATOM 626 CB ASN A 44 11.470 0.095 -3.687 1.00 0.00 C ATOM 627 CG ASN A 44 12.447 -0.441 -2.660 1.00 0.00 C ATOM 628 OD1 ASN A 44 12.188 -0.153 -1.390 1.00 0.00 O flip ATOM 629 ND2 ASN A 44 13.424 -1.107 -3.004 1.00 0.00 N flip ATOM 0 H ASN A 44 8.423 0.137 -3.852 1.00 0.00 H new ATOM 0 HA ASN A 44 10.570 -1.638 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.988 0.243 -4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.109 1.072 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.584 -1.304 -3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.073 -1.461 -2.301 1.00 0.00 H new ATOM 636 N THR A 45 10.644 -2.441 -2.116 1.00 0.00 N ATOM 637 CA THR A 45 10.358 -3.122 -0.860 1.00 0.00 C ATOM 638 C THR A 45 11.420 -2.810 0.188 1.00 0.00 C ATOM 639 O THR A 45 12.617 -2.836 -0.098 1.00 0.00 O ATOM 640 CB THR A 45 10.278 -4.648 -1.054 1.00 0.00 C ATOM 641 OG1 THR A 45 11.497 -5.134 -1.628 1.00 0.00 O ATOM 642 CG2 THR A 45 9.107 -5.019 -1.951 1.00 0.00 C ATOM 0 H THR A 45 11.479 -2.775 -2.597 1.00 0.00 H new ATOM 0 HA THR A 45 9.391 -2.756 -0.515 1.00 0.00 H new ATOM 0 HB THR A 45 10.128 -5.108 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.393 -6.079 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.071 -6.102 -2.073 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.178 -4.674 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.232 -4.548 -2.926 1.00 0.00 H new ATOM 650 N HIS A 46 10.974 -2.514 1.405 1.00 0.00 N ATOM 651 CA HIS A 46 11.887 -2.198 2.498 1.00 0.00 C ATOM 652 C HIS A 46 11.731 -3.195 3.642 1.00 0.00 C ATOM 653 O HIS A 46 10.634 -3.388 4.165 1.00 0.00 O ATOM 654 CB HIS A 46 11.635 -0.778 3.006 1.00 0.00 C ATOM 655 CG HIS A 46 12.679 -0.290 3.963 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.175 -1.062 4.993 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.321 0.898 4.042 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.077 -0.368 5.664 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.185 0.825 5.107 1.00 0.00 N ATOM 0 H HIS A 46 9.987 -2.486 1.659 1.00 0.00 H new ATOM 0 HA HIS A 46 12.906 -2.265 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.589 -0.099 2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.661 -0.743 3.495 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.180 1.746 3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.632 -0.717 6.522 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.808 1.570 5.417 1.00 0.00 H new ATOM 667 N MET A 47 12.836 -3.826 4.025 1.00 0.00 N ATOM 668 CA MET A 47 12.822 -4.803 5.108 1.00 0.00 C ATOM 669 C MET A 47 14.073 -4.676 5.971 1.00 0.00 C ATOM 670 O MET A 47 15.182 -5.010 5.552 1.00 0.00 O ATOM 671 CB MET A 47 12.720 -6.221 4.542 1.00 0.00 C ATOM 672 CG MET A 47 11.374 -6.525 3.905 1.00 0.00 C ATOM 673 SD MET A 47 11.188 -8.266 3.472 1.00 0.00 S ATOM 674 CE MET A 47 11.027 -9.003 5.097 1.00 0.00 C ATOM 0 H MET A 47 13.752 -3.678 3.602 1.00 0.00 H new ATOM 0 HA MET A 47 11.951 -4.605 5.732 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.505 -6.364 3.799 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.904 -6.937 5.343 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.578 -6.238 4.592 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.255 -5.917 3.008 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.392 -9.887 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.012 -9.289 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.579 -8.282 5.781 1.00 0.00 H new ATOM 684 N PRO A 48 13.894 -4.182 7.205 1.00 0.00 N ATOM 685 CA PRO A 48 14.998 -4.001 8.153 1.00 0.00 C ATOM 686 C PRO A 48 15.552 -5.328 8.659 1.00 0.00 C ATOM 687 O PRO A 48 14.797 -6.240 8.995 1.00 0.00 O ATOM 688 CB PRO A 48 14.354 -3.218 9.300 1.00 0.00 C ATOM 689 CG PRO A 48 12.907 -3.562 9.229 1.00 0.00 C ATOM 690 CD PRO A 48 12.600 -3.763 7.771 1.00 0.00 C ATOM 0 HA PRO A 48 15.848 -3.495 7.697 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.781 -3.502 10.262 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.512 -2.146 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.692 -4.465 9.801 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.295 -2.764 9.650 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.832 -4.522 7.623 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.236 -2.846 7.307 1.00 0.00 H new ATOM 698 N LYS A 49 16.876 -5.430 8.710 1.00 0.00 N ATOM 699 CA LYS A 49 17.532 -6.645 9.177 1.00 0.00 C ATOM 700 C LYS A 49 18.406 -6.359 10.394 1.00 0.00 C ATOM 701 O LYS A 49 19.452 -5.719 10.282 1.00 0.00 O ATOM 702 CB LYS A 49 18.382 -7.252 8.058 1.00 0.00 C ATOM 703 CG LYS A 49 17.584 -7.610 6.815 1.00 0.00 C ATOM 704 CD LYS A 49 17.049 -9.030 6.886 1.00 0.00 C ATOM 705 CE LYS A 49 16.797 -9.601 5.499 1.00 0.00 C ATOM 706 NZ LYS A 49 16.386 -11.031 5.553 1.00 0.00 N ATOM 0 H LYS A 49 17.516 -4.685 8.433 1.00 0.00 H new ATOM 0 HA LYS A 49 16.759 -7.357 9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 49 19.167 -6.546 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.876 -8.148 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.754 -6.913 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.215 -7.502 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.761 -9.662 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.122 -9.042 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.021 -9.019 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.701 -9.506 4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.224 -11.382 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 17.137 -11.591 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.509 -11.120 6.105 1.00 0.00 H new ATOM 720 N ASP A 50 17.971 -6.837 11.554 1.00 0.00 N ATOM 721 CA ASP A 50 18.715 -6.635 12.792 1.00 0.00 C ATOM 722 C ASP A 50 20.216 -6.766 12.551 1.00 0.00 C ATOM 723 O ASP A 50 20.661 -7.636 11.803 1.00 0.00 O ATOM 724 CB ASP A 50 18.267 -7.641 13.852 1.00 0.00 C ATOM 725 CG ASP A 50 18.342 -7.075 15.257 1.00 0.00 C ATOM 726 OD1 ASP A 50 19.260 -6.272 15.524 1.00 0.00 O ATOM 727 OD2 ASP A 50 17.483 -7.436 16.089 1.00 0.00 O ATOM 0 H ASP A 50 17.107 -7.367 11.663 1.00 0.00 H new ATOM 0 HA ASP A 50 18.509 -5.626 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.244 -7.953 13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 50 18.891 -8.533 13.789 1.00 0.00 H new ATOM 732 N ARG A 51 20.991 -5.895 13.190 1.00 0.00 N ATOM 733 CA ARG A 51 22.441 -5.912 13.044 1.00 0.00 C ATOM 734 C ARG A 51 23.075 -6.896 14.022 1.00 0.00 C ATOM 735 O ARG A 51 24.166 -6.658 14.540 1.00 0.00 O ATOM 736 CB ARG A 51 23.014 -4.511 13.270 1.00 0.00 C ATOM 737 CG ARG A 51 22.729 -3.953 14.654 1.00 0.00 C ATOM 738 CD ARG A 51 23.313 -2.559 14.824 1.00 0.00 C ATOM 739 NE ARG A 51 22.440 -1.528 14.270 1.00 0.00 N ATOM 740 CZ ARG A 51 21.391 -1.030 14.914 1.00 0.00 C ATOM 741 NH1 ARG A 51 21.086 -1.466 16.128 1.00 0.00 N ATOM 742 NH2 ARG A 51 20.644 -0.093 14.343 1.00 0.00 N ATOM 0 H ARG A 51 20.638 -5.169 13.814 1.00 0.00 H new ATOM 0 HA ARG A 51 22.675 -6.234 12.029 1.00 0.00 H new ATOM 0 HB2 ARG A 51 24.092 -4.539 13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 51 22.601 -3.834 12.522 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.652 -3.920 14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 51 23.147 -4.619 15.409 1.00 0.00 H new ATOM 0 HD2 ARG A 51 23.479 -2.362 15.883 1.00 0.00 H new ATOM 0 HD3 ARG A 51 24.286 -2.511 14.335 1.00 0.00 H new ATOM 0 HE ARG A 51 22.647 -1.171 13.337 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.658 -2.186 16.570 1.00 0.00 H new ATOM 0 HH12 ARG A 51 20.280 -1.082 16.620 1.00 0.00 H new ATOM 0 HH21 ARG A 51 20.876 0.245 13.409 1.00 0.00 H new ATOM 0 HH22 ARG A 51 19.838 0.289 14.838 1.00 0.00 H new ATOM 756 N VAL A 52 22.383 -8.004 14.271 1.00 0.00 N ATOM 757 CA VAL A 52 22.878 -9.025 15.186 1.00 0.00 C ATOM 758 C VAL A 52 22.735 -10.418 14.584 1.00 0.00 C ATOM 759 O VAL A 52 23.549 -11.306 14.844 1.00 0.00 O ATOM 760 CB VAL A 52 22.132 -8.981 16.533 1.00 0.00 C ATOM 761 CG1 VAL A 52 22.443 -7.689 17.274 1.00 0.00 C ATOM 762 CG2 VAL A 52 20.634 -9.133 16.317 1.00 0.00 C ATOM 0 H VAL A 52 21.478 -8.217 13.851 1.00 0.00 H new ATOM 0 HA VAL A 52 23.933 -8.812 15.356 1.00 0.00 H new ATOM 0 HB VAL A 52 22.475 -9.815 17.146 1.00 0.00 H new ATOM 0 HG11 VAL A 52 21.907 -7.676 18.223 1.00 0.00 H new ATOM 0 HG12 VAL A 52 23.515 -7.626 17.462 1.00 0.00 H new ATOM 0 HG13 VAL A 52 22.130 -6.838 16.669 1.00 0.00 H new ATOM 0 HG21 VAL A 52 20.122 -9.100 17.279 1.00 0.00 H new ATOM 0 HG22 VAL A 52 20.273 -8.321 15.686 1.00 0.00 H new ATOM 0 HG23 VAL A 52 20.431 -10.088 15.831 1.00 0.00 H new ATOM 772 N THR A 53 21.695 -10.605 13.778 1.00 0.00 N ATOM 773 CA THR A 53 21.445 -11.890 13.138 1.00 0.00 C ATOM 774 C THR A 53 21.272 -11.731 11.632 1.00 0.00 C ATOM 775 O THR A 53 21.543 -12.655 10.866 1.00 0.00 O ATOM 776 CB THR A 53 20.190 -12.571 13.718 1.00 0.00 C ATOM 777 OG1 THR A 53 19.065 -11.691 13.619 1.00 0.00 O ATOM 778 CG2 THR A 53 20.409 -12.960 15.173 1.00 0.00 C ATOM 0 H THR A 53 21.012 -9.882 13.553 1.00 0.00 H new ATOM 0 HA THR A 53 22.315 -12.516 13.336 1.00 0.00 H new ATOM 0 HB THR A 53 19.995 -13.475 13.142 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.271 -12.132 13.988 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.510 -13.439 15.561 1.00 0.00 H new ATOM 0 HG22 THR A 53 21.248 -13.653 15.242 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.626 -12.067 15.760 1.00 0.00 H new ATOM 786 N GLY A 54 20.819 -10.553 11.214 1.00 0.00 N ATOM 787 CA GLY A 54 20.619 -10.295 9.800 1.00 0.00 C ATOM 788 C GLY A 54 19.329 -10.895 9.278 1.00 0.00 C ATOM 789 O GLY A 54 19.213 -11.194 8.090 1.00 0.00 O ATOM 0 H GLY A 54 20.587 -9.773 11.829 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.611 -9.219 9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.459 -10.702 9.237 1.00 0.00 H new ATOM 793 N GLN A 55 18.358 -11.073 10.168 1.00 0.00 N ATOM 794 CA GLN A 55 17.071 -11.644 9.790 1.00 0.00 C ATOM 795 C GLN A 55 15.932 -10.688 10.127 1.00 0.00 C ATOM 796 O GLN A 55 15.743 -10.314 11.285 1.00 0.00 O ATOM 797 CB GLN A 55 16.856 -12.983 10.498 1.00 0.00 C ATOM 798 CG GLN A 55 17.987 -13.975 10.282 1.00 0.00 C ATOM 799 CD GLN A 55 17.516 -15.415 10.320 1.00 0.00 C ATOM 800 OE1 GLN A 55 17.622 -16.088 11.346 1.00 0.00 O ATOM 801 NE2 GLN A 55 16.993 -15.897 9.198 1.00 0.00 N ATOM 0 H GLN A 55 18.438 -10.830 11.155 1.00 0.00 H new ATOM 0 HA GLN A 55 17.076 -11.808 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.740 -12.805 11.567 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.924 -13.425 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 18.460 -13.777 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.748 -13.825 11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.925 -15.304 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.660 -16.860 9.163 1.00 0.00 H new ATOM 810 N HIS A 56 15.174 -10.296 9.107 1.00 0.00 N ATOM 811 CA HIS A 56 14.052 -9.384 9.296 1.00 0.00 C ATOM 812 C HIS A 56 13.320 -9.684 10.600 1.00 0.00 C ATOM 813 O HIS A 56 13.147 -10.844 10.972 1.00 0.00 O ATOM 814 CB HIS A 56 13.082 -9.485 8.118 1.00 0.00 C ATOM 815 CG HIS A 56 12.397 -10.813 8.018 1.00 0.00 C ATOM 816 ND1 HIS A 56 11.168 -11.071 8.588 1.00 0.00 N ATOM 817 CD2 HIS A 56 12.776 -11.961 7.409 1.00 0.00 C ATOM 818 CE1 HIS A 56 10.821 -12.320 8.334 1.00 0.00 C ATOM 819 NE2 HIS A 56 11.780 -12.882 7.620 1.00 0.00 N ATOM 0 H HIS A 56 15.317 -10.596 8.142 1.00 0.00 H new ATOM 0 HA HIS A 56 14.446 -8.369 9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.328 -8.703 8.210 1.00 0.00 H new ATOM 0 HB3 HIS A 56 13.626 -9.296 7.193 1.00 0.00 H new ATOM 0 HD2 HIS A 56 13.692 -12.122 6.859 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.909 -12.800 8.655 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.780 -13.844 7.281 1.00 0.00 H new ATOM 827 N GLN A 57 12.894 -8.631 11.290 1.00 0.00 N ATOM 828 CA GLN A 57 12.182 -8.783 12.554 1.00 0.00 C ATOM 829 C GLN A 57 10.708 -9.093 12.314 1.00 0.00 C ATOM 830 O GLN A 57 9.834 -8.572 13.005 1.00 0.00 O ATOM 831 CB GLN A 57 12.318 -7.514 13.396 1.00 0.00 C ATOM 832 CG GLN A 57 13.598 -7.461 14.215 1.00 0.00 C ATOM 833 CD GLN A 57 13.636 -8.511 15.307 1.00 0.00 C ATOM 834 OE1 GLN A 57 12.697 -8.639 16.094 1.00 0.00 O ATOM 835 NE2 GLN A 57 14.724 -9.270 15.361 1.00 0.00 N ATOM 0 H GLN A 57 13.029 -7.664 10.996 1.00 0.00 H new ATOM 0 HA GLN A 57 12.627 -9.618 13.095 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.281 -6.646 12.738 1.00 0.00 H new ATOM 0 HB3 GLN A 57 11.463 -7.441 14.068 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.454 -7.599 13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.697 -6.472 14.663 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.478 -9.129 14.689 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.806 -9.994 16.075 1.00 0.00 H new ATOM 844 N GLY A 58 10.440 -9.947 11.330 1.00 0.00 N ATOM 845 CA GLY A 58 9.071 -10.311 11.017 1.00 0.00 C ATOM 846 C GLY A 58 8.211 -9.107 10.687 1.00 0.00 C ATOM 847 O GLY A 58 7.038 -9.053 11.057 1.00 0.00 O ATOM 0 H GLY A 58 11.147 -10.393 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.066 -11.000 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.637 -10.842 11.864 1.00 0.00 H new ATOM 851 N TYR A 59 8.795 -8.138 9.992 1.00 0.00 N ATOM 852 CA TYR A 59 8.076 -6.926 9.616 1.00 0.00 C ATOM 853 C TYR A 59 8.847 -6.140 8.561 1.00 0.00 C ATOM 854 O TYR A 59 10.077 -6.154 8.535 1.00 0.00 O ATOM 855 CB TYR A 59 7.834 -6.049 10.846 1.00 0.00 C ATOM 856 CG TYR A 59 8.926 -5.032 11.088 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.209 -5.431 11.444 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.675 -3.671 10.960 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.209 -4.505 11.666 1.00 0.00 C ATOM 860 CE2 TYR A 59 9.670 -2.738 11.180 1.00 0.00 C ATOM 861 CZ TYR A 59 10.935 -3.160 11.533 1.00 0.00 C ATOM 862 OH TYR A 59 11.929 -2.234 11.753 1.00 0.00 O ATOM 0 H TYR A 59 9.765 -8.168 9.677 1.00 0.00 H new ATOM 0 HA TYR A 59 7.115 -7.221 9.193 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.883 -5.528 10.729 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.742 -6.687 11.725 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.428 -6.483 11.549 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.686 -3.337 10.684 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.200 -4.832 11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.459 -1.684 11.076 1.00 0.00 H new ATOM 0 HH TYR A 59 11.769 -1.444 11.196 1.00 0.00 H new ATOM 872 N GLY A 60 8.114 -5.453 7.690 1.00 0.00 N ATOM 873 CA GLY A 60 8.744 -4.670 6.644 1.00 0.00 C ATOM 874 C GLY A 60 7.871 -3.524 6.171 1.00 0.00 C ATOM 875 O GLY A 60 7.046 -3.010 6.927 1.00 0.00 O ATOM 0 H GLY A 60 7.094 -5.425 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.691 -4.274 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.976 -5.318 5.799 1.00 0.00 H new ATOM 879 N PHE A 61 8.053 -3.122 4.918 1.00 0.00 N ATOM 880 CA PHE A 61 7.277 -2.028 4.346 1.00 0.00 C ATOM 881 C PHE A 61 7.227 -2.134 2.825 1.00 0.00 C ATOM 882 O PHE A 61 8.103 -2.737 2.204 1.00 0.00 O ATOM 883 CB PHE A 61 7.877 -0.681 4.755 1.00 0.00 C ATOM 884 CG PHE A 61 8.017 -0.513 6.241 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.112 -1.035 6.910 1.00 0.00 C ATOM 886 CD2 PHE A 61 7.052 0.165 6.969 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.244 -0.882 8.277 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.179 0.321 8.336 1.00 0.00 C ATOM 889 CZ PHE A 61 8.276 -0.204 8.991 1.00 0.00 C ATOM 0 H PHE A 61 8.731 -3.537 4.279 1.00 0.00 H new ATOM 0 HA PHE A 61 6.260 -2.097 4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.858 -0.573 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.250 0.121 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.871 -1.568 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.191 0.576 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.103 -1.292 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.421 0.853 8.892 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.376 -0.084 10.060 1.00 0.00 H new ATOM 899 N VAL A 62 6.195 -1.544 2.230 1.00 0.00 N ATOM 900 CA VAL A 62 6.029 -1.571 0.781 1.00 0.00 C ATOM 901 C VAL A 62 5.698 -0.185 0.240 1.00 0.00 C ATOM 902 O VAL A 62 4.579 0.303 0.399 1.00 0.00 O ATOM 903 CB VAL A 62 4.920 -2.553 0.362 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.731 -2.532 -1.148 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.241 -3.958 0.848 1.00 0.00 C ATOM 0 H VAL A 62 5.461 -1.041 2.729 1.00 0.00 H new ATOM 0 HA VAL A 62 6.977 -1.905 0.359 1.00 0.00 H new ATOM 0 HB VAL A 62 3.985 -2.238 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.943 -3.232 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.452 -1.527 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.662 -2.821 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.446 -4.639 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.186 -4.286 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.321 -3.958 1.935 1.00 0.00 H new ATOM 915 N GLU A 63 6.678 0.445 -0.400 1.00 0.00 N ATOM 916 CA GLU A 63 6.489 1.776 -0.965 1.00 0.00 C ATOM 917 C GLU A 63 5.807 1.697 -2.328 1.00 0.00 C ATOM 918 O GLU A 63 6.383 1.197 -3.295 1.00 0.00 O ATOM 919 CB GLU A 63 7.833 2.494 -1.096 1.00 0.00 C ATOM 920 CG GLU A 63 7.726 3.882 -1.706 1.00 0.00 C ATOM 921 CD GLU A 63 9.061 4.410 -2.193 1.00 0.00 C ATOM 922 OE1 GLU A 63 10.065 4.240 -1.469 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.102 4.994 -3.296 1.00 0.00 O ATOM 0 H GLU A 63 7.610 0.055 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 63 5.847 2.342 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.290 2.574 -0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.501 1.888 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.024 3.855 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.316 4.569 -0.966 1.00 0.00 H new ATOM 930 N PHE A 64 4.576 2.193 -2.397 1.00 0.00 N ATOM 931 CA PHE A 64 3.815 2.178 -3.641 1.00 0.00 C ATOM 932 C PHE A 64 4.095 3.431 -4.466 1.00 0.00 C ATOM 933 O PHE A 64 4.601 4.428 -3.949 1.00 0.00 O ATOM 934 CB PHE A 64 2.317 2.073 -3.345 1.00 0.00 C ATOM 935 CG PHE A 64 1.844 0.663 -3.137 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.875 0.085 -1.878 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.368 -0.086 -4.202 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.442 -1.212 -1.685 1.00 0.00 C ATOM 939 CE2 PHE A 64 0.933 -1.384 -4.015 1.00 0.00 C ATOM 940 CZ PHE A 64 0.969 -1.948 -2.754 1.00 0.00 C ATOM 0 H PHE A 64 4.084 2.610 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 64 4.127 1.308 -4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.089 2.659 -2.455 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.760 2.517 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.242 0.656 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.337 0.350 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.473 -1.651 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.565 -1.957 -4.853 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.628 -2.962 -2.605 1.00 0.00 H new ATOM 950 N LEU A 65 3.764 3.371 -5.751 1.00 0.00 N ATOM 951 CA LEU A 65 3.980 4.500 -6.649 1.00 0.00 C ATOM 952 C LEU A 65 3.113 5.689 -6.248 1.00 0.00 C ATOM 953 O LEU A 65 3.602 6.811 -6.116 1.00 0.00 O ATOM 954 CB LEU A 65 3.674 4.095 -8.092 1.00 0.00 C ATOM 955 CG LEU A 65 4.099 5.089 -9.173 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.608 5.062 -9.360 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.392 4.785 -10.486 1.00 0.00 C ATOM 0 H LEU A 65 3.345 2.553 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 65 5.026 4.796 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.162 3.141 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.601 3.929 -8.182 1.00 0.00 H new ATOM 0 HG LEU A 65 3.811 6.090 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.892 5.776 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.096 5.330 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.920 4.061 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.707 5.503 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.648 3.777 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.314 4.857 -10.344 1.00 0.00 H new ATOM 969 N SER A 66 1.823 5.435 -6.054 1.00 0.00 N ATOM 970 CA SER A 66 0.886 6.485 -5.670 1.00 0.00 C ATOM 971 C SER A 66 0.272 6.191 -4.304 1.00 0.00 C ATOM 972 O SER A 66 0.185 5.037 -3.887 1.00 0.00 O ATOM 973 CB SER A 66 -0.218 6.622 -6.719 1.00 0.00 C ATOM 974 OG SER A 66 0.325 6.684 -8.027 1.00 0.00 O ATOM 0 H SER A 66 1.402 4.511 -6.156 1.00 0.00 H new ATOM 0 HA SER A 66 1.436 7.424 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.901 5.776 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.802 7.521 -6.521 1.00 0.00 H new ATOM 0 HG SER A 66 -0.402 6.770 -8.679 1.00 0.00 H new ATOM 980 N GLU A 67 -0.152 7.245 -3.614 1.00 0.00 N ATOM 981 CA GLU A 67 -0.758 7.101 -2.296 1.00 0.00 C ATOM 982 C GLU A 67 -1.982 6.193 -2.356 1.00 0.00 C ATOM 983 O GLU A 67 -2.151 5.306 -1.519 1.00 0.00 O ATOM 984 CB GLU A 67 -1.152 8.470 -1.738 1.00 0.00 C ATOM 985 CG GLU A 67 -1.664 8.421 -0.308 1.00 0.00 C ATOM 986 CD GLU A 67 -2.575 9.587 0.025 1.00 0.00 C ATOM 987 OE1 GLU A 67 -2.059 10.708 0.216 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.804 9.377 0.096 1.00 0.00 O ATOM 0 H GLU A 67 -0.087 8.207 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.021 6.646 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.288 9.133 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.922 8.905 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.203 7.487 -0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.817 8.419 0.378 1.00 0.00 H new ATOM 995 N GLU A 68 -2.833 6.421 -3.351 1.00 0.00 N ATOM 996 CA GLU A 68 -4.043 5.625 -3.519 1.00 0.00 C ATOM 997 C GLU A 68 -3.712 4.136 -3.565 1.00 0.00 C ATOM 998 O GLU A 68 -4.473 3.304 -3.070 1.00 0.00 O ATOM 999 CB GLU A 68 -4.777 6.035 -4.797 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.923 5.931 -6.050 1.00 0.00 C ATOM 1001 CD GLU A 68 -3.235 7.237 -6.397 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -3.012 8.053 -5.478 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -2.920 7.443 -7.588 1.00 0.00 O ATOM 0 H GLU A 68 -2.707 7.150 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.691 5.810 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.660 5.407 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.128 7.061 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.171 5.155 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.549 5.621 -6.887 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.572 3.808 -4.163 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.139 2.420 -4.274 1.00 0.00 C ATOM 1012 C ASP A 69 -1.944 1.799 -2.894 1.00 0.00 C ATOM 1013 O ASP A 69 -2.264 0.631 -2.677 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.839 2.331 -5.075 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.028 2.714 -6.530 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -1.857 2.073 -7.208 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.346 3.654 -6.990 1.00 0.00 O ATOM 0 H ASP A 69 -1.931 4.484 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.917 1.864 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.092 2.985 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.449 1.315 -5.018 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.415 2.589 -1.965 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.178 2.118 -0.607 1.00 0.00 C ATOM 1024 C ALA A 70 -2.487 1.745 0.081 1.00 0.00 C ATOM 1025 O ALA A 70 -2.682 0.599 0.487 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.440 3.177 0.198 1.00 0.00 C ATOM 0 H ALA A 70 -1.143 3.558 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.559 1.223 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.270 2.811 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.518 3.392 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.038 4.087 0.237 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.381 2.719 0.209 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.673 2.493 0.848 1.00 0.00 C ATOM 1034 C ASP A 71 -5.352 1.252 0.276 1.00 0.00 C ATOM 1035 O ASP A 71 -5.987 0.489 1.003 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.576 3.713 0.667 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.923 3.542 1.342 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.368 2.385 1.494 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.531 4.565 1.719 1.00 0.00 O ATOM 0 H ASP A 71 -3.235 3.673 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.501 2.333 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.078 4.593 1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.727 3.895 -0.397 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.214 1.058 -1.031 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.817 -0.088 -1.701 1.00 0.00 C ATOM 1046 C TYR A 72 -5.214 -1.395 -1.195 1.00 0.00 C ATOM 1047 O TYR A 72 -5.923 -2.379 -0.986 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.626 0.022 -3.215 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.429 -0.990 -4.001 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -5.904 -2.240 -4.302 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.712 -0.695 -4.444 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.633 -3.167 -5.021 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.450 -1.616 -5.162 1.00 0.00 C ATOM 1054 CZ TYR A 72 -7.906 -2.851 -5.448 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.637 -3.771 -6.164 1.00 0.00 O ATOM 0 H TYR A 72 -4.690 1.679 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.883 -0.089 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.907 1.025 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.569 -0.104 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.908 -2.492 -3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.140 0.272 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.209 -4.134 -5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.447 -1.371 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.512 -3.391 -6.387 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.899 -1.395 -0.999 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.200 -2.579 -0.514 1.00 0.00 C ATOM 1067 C ALA A 73 -3.503 -2.831 0.959 1.00 0.00 C ATOM 1068 O ALA A 73 -3.421 -3.964 1.434 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.701 -2.431 -0.729 1.00 0.00 C ATOM 0 H ALA A 73 -3.297 -0.589 -1.168 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.555 -3.439 -1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.191 -3.322 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.496 -2.308 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.340 -1.557 -0.186 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.853 -1.769 1.677 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.168 -1.877 3.095 1.00 0.00 C ATOM 1077 C ILE A 74 -5.569 -2.441 3.306 1.00 0.00 C ATOM 1078 O ILE A 74 -5.928 -2.845 4.412 1.00 0.00 O ATOM 1079 CB ILE A 74 -4.066 -0.511 3.800 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.685 0.105 3.567 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.341 -0.661 5.289 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.647 1.602 3.785 1.00 0.00 C ATOM 0 H ILE A 74 -3.925 -0.824 1.299 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.436 -2.557 3.530 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.817 0.156 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.967 -0.370 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.365 -0.114 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.265 0.313 5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.344 -1.062 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.611 -1.342 5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.638 1.971 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.340 2.087 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.935 1.828 4.812 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.357 -2.468 2.236 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.718 -2.986 2.301 1.00 0.00 C ATOM 1096 C LYS A 75 -7.756 -4.464 1.929 1.00 0.00 C ATOM 1097 O LYS A 75 -8.628 -5.206 2.383 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.634 -2.190 1.368 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.815 -2.831 0.002 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.401 -1.850 -1.000 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.921 -1.876 -0.982 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.464 -3.080 -1.671 1.00 0.00 N ATOM 0 H LYS A 75 -6.076 -2.137 1.313 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.072 -2.879 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.610 -2.078 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.225 -1.188 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.853 -3.193 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.470 -3.698 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.051 -0.843 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.044 -2.093 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.272 -1.859 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.305 -0.977 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.495 -2.987 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.030 -3.166 -2.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.246 -3.929 -1.110 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.806 -4.886 1.101 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.730 -6.277 0.671 1.00 0.00 C ATOM 1118 C ILE A 76 -5.638 -7.027 1.425 1.00 0.00 C ATOM 1119 O ILE A 76 -5.809 -8.189 1.793 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.460 -6.384 -0.842 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.140 -5.697 -1.196 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.610 -5.773 -1.629 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.718 -5.905 -2.634 1.00 0.00 C ATOM 0 H ILE A 76 -6.078 -4.285 0.715 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.697 -6.729 0.893 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.382 -7.438 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.233 -4.628 -1.004 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.356 -6.072 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.405 -5.856 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.533 -6.303 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.717 -4.722 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.774 -5.390 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.593 -6.971 -2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.483 -5.504 -3.299 1.00 0.00 H new ATOM 1135 N MET A 77 -4.515 -6.353 1.654 1.00 0.00 N ATOM 1136 CA MET A 77 -3.395 -6.956 2.368 1.00 0.00 C ATOM 1137 C MET A 77 -3.551 -6.776 3.875 1.00 0.00 C ATOM 1138 O MET A 77 -2.564 -6.717 4.608 1.00 0.00 O ATOM 1139 CB MET A 77 -2.075 -6.338 1.903 1.00 0.00 C ATOM 1140 CG MET A 77 -1.946 -6.247 0.391 1.00 0.00 C ATOM 1141 SD MET A 77 -2.407 -7.779 -0.439 1.00 0.00 S ATOM 1142 CE MET A 77 -0.870 -8.197 -1.258 1.00 0.00 C ATOM 0 H MET A 77 -4.357 -5.390 1.356 1.00 0.00 H new ATOM 0 HA MET A 77 -3.387 -8.023 2.146 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.981 -5.339 2.328 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.248 -6.930 2.295 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.576 -5.436 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.918 -5.994 0.133 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.838 -9.270 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.805 -7.661 -2.205 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.031 -7.915 -0.622 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.796 -6.690 4.330 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.081 -6.519 5.750 1.00 0.00 C ATOM 1154 C ASP A 78 -5.355 -7.863 6.416 1.00 0.00 C ATOM 1155 O ASP A 78 -6.117 -8.679 5.898 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.278 -5.587 5.942 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.595 -6.337 5.987 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -8.075 -6.758 4.914 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.144 -6.505 7.096 1.00 0.00 O ATOM 0 H ASP A 78 -5.624 -6.736 3.736 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.204 -6.074 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.152 -5.024 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.304 -4.862 5.129 1.00 0.00 H new ATOM 1164 N MET A 79 -4.727 -8.088 7.565 1.00 0.00 N ATOM 1165 CA MET A 79 -4.903 -9.334 8.302 1.00 0.00 C ATOM 1166 C MET A 79 -4.874 -10.532 7.358 1.00 0.00 C ATOM 1167 O MET A 79 -5.689 -11.448 7.478 1.00 0.00 O ATOM 1168 CB MET A 79 -6.223 -9.311 9.076 1.00 0.00 C ATOM 1169 CG MET A 79 -6.182 -10.107 10.370 1.00 0.00 C ATOM 1170 SD MET A 79 -7.803 -10.261 11.143 1.00 0.00 S ATOM 1171 CE MET A 79 -8.016 -8.614 11.815 1.00 0.00 C ATOM 0 H MET A 79 -4.091 -7.423 8.006 1.00 0.00 H new ATOM 0 HA MET A 79 -4.078 -9.430 9.008 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.484 -8.277 9.303 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.015 -9.707 8.440 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.784 -11.102 10.168 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.496 -9.625 11.067 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.167 -8.677 12.893 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.127 -8.019 11.608 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.884 -8.142 11.354 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.933 -10.518 6.420 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.799 -11.604 5.457 1.00 0.00 C ATOM 1183 C ILE A 80 -3.123 -12.817 6.087 1.00 0.00 C ATOM 1184 O ILE A 80 -2.375 -12.691 7.057 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.991 -11.164 4.222 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.884 -10.390 3.251 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.375 -12.374 3.534 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.351 -10.356 1.835 1.00 0.00 C ATOM 0 H ILE A 80 -3.252 -9.767 6.306 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.807 -11.875 5.144 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.185 -10.506 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.877 -10.840 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.999 -9.368 3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.807 -12.047 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.711 -12.888 4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.166 -13.054 3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.035 -9.791 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.371 -9.879 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.263 -11.374 1.455 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.390 -13.993 5.528 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.806 -15.230 6.032 1.00 0.00 C ATOM 1202 C LYS A 81 -1.729 -15.749 5.085 1.00 0.00 C ATOM 1203 O LYS A 81 -2.025 -16.448 4.115 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.892 -16.292 6.218 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.568 -16.240 7.577 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.129 -17.596 7.973 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.670 -17.581 9.394 1.00 0.00 C ATOM 1208 NZ LYS A 81 -6.972 -16.865 9.484 1.00 0.00 N ATOM 0 H LYS A 81 -4.007 -14.115 4.725 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.345 -15.018 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.647 -16.168 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.451 -17.279 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.851 -15.908 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.372 -15.504 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.924 -17.878 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.349 -18.353 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.794 -18.605 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.946 -17.102 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.307 -16.877 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.849 -15.881 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.670 -17.337 8.875 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.478 -15.404 5.372 1.00 0.00 N ATOM 1223 CA LEU A 82 0.644 -15.836 4.546 1.00 0.00 C ATOM 1224 C LEU A 82 1.457 -16.915 5.254 1.00 0.00 C ATOM 1225 O LEU A 82 1.598 -16.898 6.477 1.00 0.00 O ATOM 1226 CB LEU A 82 1.541 -14.645 4.206 1.00 0.00 C ATOM 1227 CG LEU A 82 2.693 -14.926 3.241 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.168 -15.128 1.828 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.709 -13.794 3.278 1.00 0.00 C ATOM 0 H LEU A 82 -0.216 -14.826 6.171 1.00 0.00 H new ATOM 0 HA LEU A 82 0.244 -16.256 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.919 -13.858 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.958 -14.253 5.134 1.00 0.00 H new ATOM 0 HG LEU A 82 3.190 -15.843 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.002 -15.327 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.480 -15.973 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.645 -14.229 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.522 -14.012 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.225 -12.861 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.109 -13.697 4.287 1.00 0.00 H new ATOM 1241 N TYR A 83 1.992 -17.850 4.477 1.00 0.00 N ATOM 1242 CA TYR A 83 2.792 -18.937 5.030 1.00 0.00 C ATOM 1243 C TYR A 83 2.460 -19.164 6.501 1.00 0.00 C ATOM 1244 O TYR A 83 3.341 -19.141 7.359 1.00 0.00 O ATOM 1245 CB TYR A 83 4.283 -18.631 4.873 1.00 0.00 C ATOM 1246 CG TYR A 83 4.656 -18.124 3.499 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.211 -18.772 2.353 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.454 -16.997 3.346 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.550 -18.312 1.095 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.797 -16.530 2.092 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.344 -17.191 0.970 1.00 0.00 C ATOM 1252 OH TYR A 83 5.683 -16.729 -0.281 1.00 0.00 O ATOM 0 H TYR A 83 1.886 -17.877 3.463 1.00 0.00 H new ATOM 0 HA TYR A 83 2.554 -19.847 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.573 -17.888 5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.855 -19.534 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.590 -19.650 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.812 -16.477 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.195 -18.827 0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.417 -15.651 1.991 1.00 0.00 H new ATOM 0 HH TYR A 83 4.969 -16.949 -0.915 1.00 0.00 H new ATOM 1262 N GLY A 84 1.179 -19.385 6.785 1.00 0.00 N ATOM 1263 CA GLY A 84 0.751 -19.614 8.152 1.00 0.00 C ATOM 1264 C GLY A 84 1.162 -18.491 9.084 1.00 0.00 C ATOM 1265 O GLY A 84 1.930 -18.702 10.023 1.00 0.00 O ATOM 0 H GLY A 84 0.431 -19.409 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.333 -19.724 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.175 -20.552 8.510 1.00 0.00 H new ATOM 1269 N LYS A 85 0.650 -17.293 8.825 1.00 0.00 N ATOM 1270 CA LYS A 85 0.968 -16.131 9.647 1.00 0.00 C ATOM 1271 C LYS A 85 0.078 -14.947 9.282 1.00 0.00 C ATOM 1272 O LYS A 85 0.189 -14.366 8.202 1.00 0.00 O ATOM 1273 CB LYS A 85 2.440 -15.748 9.479 1.00 0.00 C ATOM 1274 CG LYS A 85 3.364 -16.433 10.471 1.00 0.00 C ATOM 1275 CD LYS A 85 4.586 -15.582 10.773 1.00 0.00 C ATOM 1276 CE LYS A 85 4.341 -14.656 11.954 1.00 0.00 C ATOM 1277 NZ LYS A 85 3.607 -13.425 11.551 1.00 0.00 N ATOM 0 H LYS A 85 0.013 -17.101 8.052 1.00 0.00 H new ATOM 0 HA LYS A 85 0.785 -16.393 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.758 -15.997 8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.540 -14.668 9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.822 -16.635 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.680 -17.396 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.437 -16.228 10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.846 -14.992 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.771 -15.185 12.718 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.295 -14.379 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.945 -12.619 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.774 -13.236 10.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.589 -13.559 11.714 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.824 -14.577 10.203 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.748 -13.457 10.000 1.00 0.00 C ATOM 1293 C PRO A 86 -1.037 -12.109 10.015 1.00 0.00 C ATOM 1294 O PRO A 86 -0.996 -11.429 11.040 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.706 -13.569 11.189 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.924 -14.276 12.241 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.012 -15.224 11.512 1.00 0.00 C ATOM 0 HA PRO A 86 -2.242 -13.507 9.030 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.030 -12.586 11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.604 -14.126 10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.352 -13.570 12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.583 -14.815 12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.065 -15.354 12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.458 -16.213 11.411 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.478 -11.728 8.871 1.00 0.00 N ATOM 1306 CA ILE A 87 0.230 -10.459 8.753 1.00 0.00 C ATOM 1307 C ILE A 87 -0.687 -9.285 9.077 1.00 0.00 C ATOM 1308 O ILE A 87 -1.900 -9.450 9.210 1.00 0.00 O ATOM 1309 CB ILE A 87 0.810 -10.268 7.339 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.317 -10.041 6.328 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.649 -11.474 6.942 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.167 -9.532 4.989 1.00 0.00 C ATOM 0 H ILE A 87 -0.502 -12.280 8.013 1.00 0.00 H new ATOM 0 HA ILE A 87 1.048 -10.486 9.472 1.00 0.00 H new ATOM 0 HB ILE A 87 1.453 -9.388 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.855 -10.977 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.029 -9.327 6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.052 -11.323 5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.470 -11.595 7.649 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.027 -12.369 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.685 -9.394 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.679 -8.580 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.856 -10.255 4.552 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.100 -8.099 9.201 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.864 -6.897 9.509 1.00 0.00 C ATOM 1326 C ARG A 88 -0.384 -5.717 8.669 1.00 0.00 C ATOM 1327 O ARG A 88 0.801 -5.382 8.670 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.747 -6.559 10.997 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.941 -5.795 11.544 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.125 -6.717 11.794 1.00 0.00 C ATOM 1331 NE ARG A 88 -4.227 -6.025 12.456 1.00 0.00 N ATOM 1332 CZ ARG A 88 -5.132 -6.638 13.211 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.066 -7.949 13.397 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -6.106 -5.940 13.781 1.00 0.00 N ATOM 0 H ARG A 88 0.903 -7.945 9.093 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.909 -7.090 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.628 -7.483 11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.155 -5.969 11.157 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.662 -5.299 12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.229 -5.014 10.840 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.472 -7.127 10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.805 -7.559 12.407 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.306 -5.016 12.332 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.319 -8.489 12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.762 -8.417 13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.161 -4.931 13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.800 -6.412 14.360 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.312 -5.091 7.953 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.984 -3.948 7.108 1.00 0.00 C ATOM 1350 C VAL A 89 -1.777 -2.714 7.522 1.00 0.00 C ATOM 1351 O VAL A 89 -2.942 -2.811 7.904 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.261 -4.249 5.623 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.025 -3.010 4.774 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.397 -5.406 5.145 1.00 0.00 C ATOM 0 H VAL A 89 -2.297 -5.356 7.941 1.00 0.00 H new ATOM 0 HA VAL A 89 0.080 -3.753 7.238 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.307 -4.538 5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.226 -3.242 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.690 -2.212 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.010 -2.687 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.605 -5.606 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.655 -5.148 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.621 -6.295 5.734 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.136 -1.551 7.442 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.782 -0.296 7.808 1.00 0.00 C ATOM 1366 C ASN A 90 -0.980 0.897 7.299 1.00 0.00 C ATOM 1367 O ASN A 90 0.153 0.748 6.841 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.943 -0.206 9.327 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.705 1.034 9.755 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -2.187 1.870 10.495 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.943 1.157 9.290 1.00 0.00 N ATOM 0 H ASN A 90 -0.171 -1.453 7.127 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.767 -0.274 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.465 -1.092 9.688 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.958 -0.204 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.505 1.970 9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.332 0.439 8.679 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.575 2.082 7.382 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.917 3.303 6.932 1.00 0.00 C ATOM 1380 C LYS A 91 0.343 3.574 7.747 1.00 0.00 C ATOM 1381 O LYS A 91 0.294 3.659 8.973 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.874 4.492 7.041 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.884 4.567 5.909 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.389 5.452 4.778 1.00 0.00 C ATOM 1385 CE LYS A 91 -1.731 4.634 3.677 1.00 0.00 C ATOM 1386 NZ LYS A 91 -0.756 5.442 2.893 1.00 0.00 N ATOM 0 H LYS A 91 -2.513 2.223 7.757 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.631 3.169 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.408 4.432 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.293 5.414 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.081 3.565 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.829 4.955 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.225 6.016 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.676 6.179 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.222 3.777 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.497 4.241 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.140 4.808 2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.270 6.072 2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.176 6.012 3.542 1.00 0.00 H new ATOM 1400 N ALA A 92 1.471 3.710 7.056 1.00 0.00 N ATOM 1401 CA ALA A 92 2.743 3.975 7.716 1.00 0.00 C ATOM 1402 C ALA A 92 2.647 5.196 8.625 1.00 0.00 C ATOM 1403 O ALA A 92 3.251 5.233 9.696 1.00 0.00 O ATOM 1404 CB ALA A 92 3.843 4.169 6.683 1.00 0.00 C ATOM 0 H ALA A 92 1.529 3.641 6.040 1.00 0.00 H new ATOM 0 HA ALA A 92 2.989 3.112 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.788 4.366 7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.937 3.267 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.593 5.013 6.040 1.00 0.00 H new ATOM 1410 N SER A 93 1.883 6.193 8.189 1.00 0.00 N ATOM 1411 CA SER A 93 1.711 7.417 8.962 1.00 0.00 C ATOM 1412 C SER A 93 0.570 7.272 9.964 1.00 0.00 C ATOM 1413 O SER A 93 -0.235 8.185 10.142 1.00 0.00 O ATOM 1414 CB SER A 93 1.438 8.599 8.030 1.00 0.00 C ATOM 1415 OG SER A 93 0.175 8.472 7.401 1.00 0.00 O ATOM 0 H SER A 93 1.374 6.177 7.305 1.00 0.00 H new ATOM 0 HA SER A 93 2.633 7.602 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.473 9.529 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.220 8.658 7.273 1.00 0.00 H new ATOM 0 HG SER A 93 0.024 9.241 6.812 1.00 0.00 H new ATOM 1421 N ALA A 94 0.509 6.116 10.617 1.00 0.00 N ATOM 1422 CA ALA A 94 -0.531 5.850 11.603 1.00 0.00 C ATOM 1423 C ALA A 94 0.069 5.357 12.915 1.00 0.00 C ATOM 1424 O ALA A 94 -0.241 5.879 13.987 1.00 0.00 O ATOM 1425 CB ALA A 94 -1.526 4.834 11.061 1.00 0.00 C ATOM 0 H ALA A 94 1.167 5.349 10.481 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.055 6.785 11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.297 4.645 11.808 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.988 5.225 10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.007 3.903 10.832 1.00 0.00 H new ATOM 1431 N HIS A 95 0.930 4.348 12.825 1.00 0.00 N ATOM 1432 CA HIS A 95 1.574 3.784 14.006 1.00 0.00 C ATOM 1433 C HIS A 95 2.090 4.889 14.923 1.00 0.00 C ATOM 1434 O HIS A 95 2.578 5.918 14.457 1.00 0.00 O ATOM 1435 CB HIS A 95 2.726 2.867 13.595 1.00 0.00 C ATOM 1436 CG HIS A 95 3.964 3.605 13.187 1.00 0.00 C ATOM 1437 ND1 HIS A 95 4.122 4.721 12.438 1.00 0.00 N flip ATOM 1438 CD2 HIS A 95 5.233 3.208 13.553 1.00 0.00 C flip ATOM 1439 CE1 HIS A 95 5.470 4.976 12.367 1.00 0.00 C flip ATOM 1440 NE2 HIS A 95 6.118 4.049 13.048 1.00 0.00 N flip ATOM 0 H HIS A 95 1.198 3.904 11.946 1.00 0.00 H new ATOM 0 HA HIS A 95 0.832 3.201 14.551 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.966 2.204 14.426 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.400 2.236 12.768 1.00 0.00 H new ATOM 0 HD1 HIS A 95 3.379 5.270 12.007 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.467 2.344 14.158 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.926 5.801 11.840 1.00 0.00 H new ATOM 1448 N ASN A 96 1.978 4.668 16.228 1.00 0.00 N ATOM 1449 CA ASN A 96 2.432 5.646 17.211 1.00 0.00 C ATOM 1450 C ASN A 96 3.944 5.567 17.398 1.00 0.00 C ATOM 1451 O ASN A 96 4.449 4.696 18.106 1.00 0.00 O ATOM 1452 CB ASN A 96 1.729 5.418 18.550 1.00 0.00 C ATOM 1453 CG ASN A 96 0.254 5.767 18.495 1.00 0.00 C ATOM 1454 OD1 ASN A 96 -0.511 5.160 17.745 1.00 0.00 O ATOM 1455 ND2 ASN A 96 -0.152 6.749 19.292 1.00 0.00 N ATOM 0 H ASN A 96 1.577 3.821 16.630 1.00 0.00 H new ATOM 0 HA ASN A 96 2.181 6.640 16.841 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.842 4.374 18.844 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.214 6.020 19.319 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.133 7.028 19.299 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.517 7.224 19.897 1.00 0.00 H new ATOM 1462 N LYS A 97 4.662 6.484 16.758 1.00 0.00 N ATOM 1463 CA LYS A 97 6.117 6.521 16.854 1.00 0.00 C ATOM 1464 C LYS A 97 6.654 7.890 16.449 1.00 0.00 C ATOM 1465 O LYS A 97 6.177 8.495 15.490 1.00 0.00 O ATOM 1466 CB LYS A 97 6.735 5.437 15.969 1.00 0.00 C ATOM 1467 CG LYS A 97 6.882 4.094 16.665 1.00 0.00 C ATOM 1468 CD LYS A 97 8.028 3.286 16.081 1.00 0.00 C ATOM 1469 CE LYS A 97 8.395 2.111 16.975 1.00 0.00 C ATOM 1470 NZ LYS A 97 9.722 1.537 16.620 1.00 0.00 N ATOM 0 H LYS A 97 4.260 7.212 16.167 1.00 0.00 H new ATOM 0 HA LYS A 97 6.392 6.334 17.892 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.118 5.310 15.080 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.716 5.771 15.631 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.053 4.252 17.730 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.954 3.531 16.571 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.750 2.920 15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.898 3.929 15.949 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.407 2.436 18.015 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.631 1.338 16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.935 0.739 17.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.704 1.203 15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.455 2.267 16.725 1.00 0.00 H new ATOM 1484 N ASN A 98 7.650 8.372 17.185 1.00 0.00 N ATOM 1485 CA ASN A 98 8.253 9.669 16.901 1.00 0.00 C ATOM 1486 C ASN A 98 8.409 9.879 15.398 1.00 0.00 C ATOM 1487 O ASN A 98 9.076 9.099 14.717 1.00 0.00 O ATOM 1488 CB ASN A 98 9.616 9.783 17.588 1.00 0.00 C ATOM 1489 CG ASN A 98 9.493 9.997 19.084 1.00 0.00 C ATOM 1490 OD1 ASN A 98 9.044 11.050 19.537 1.00 0.00 O ATOM 1491 ND2 ASN A 98 9.893 8.996 19.860 1.00 0.00 N ATOM 0 H ASN A 98 8.057 7.884 17.983 1.00 0.00 H new ATOM 0 HA ASN A 98 7.591 10.442 17.291 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.192 8.877 17.399 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.173 10.611 17.150 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.834 9.082 20.875 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.259 8.141 19.441 1.00 0.00 H new ATOM 1498 N LEU A 99 7.790 10.937 14.887 1.00 0.00 N ATOM 1499 CA LEU A 99 7.860 11.251 13.464 1.00 0.00 C ATOM 1500 C LEU A 99 8.225 12.717 13.247 1.00 0.00 C ATOM 1501 O LEU A 99 8.445 13.460 14.203 1.00 0.00 O ATOM 1502 CB LEU A 99 6.525 10.941 12.787 1.00 0.00 C ATOM 1503 CG LEU A 99 5.270 11.361 13.553 1.00 0.00 C ATOM 1504 CD1 LEU A 99 5.112 12.873 13.531 1.00 0.00 C ATOM 1505 CD2 LEU A 99 4.037 10.685 12.969 1.00 0.00 C ATOM 0 H LEU A 99 7.234 11.592 15.436 1.00 0.00 H new ATOM 0 HA LEU A 99 8.639 10.632 13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.512 11.430 11.813 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.473 9.867 12.605 1.00 0.00 H new ATOM 0 HG LEU A 99 5.377 11.043 14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.214 13.153 14.081 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.982 13.337 13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.027 13.215 12.500 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.153 10.996 13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.926 10.972 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.148 9.603 13.038 1.00 0.00 H new ATOM 1517 N SER A 100 8.286 13.125 11.984 1.00 0.00 N ATOM 1518 CA SER A 100 8.625 14.501 11.641 1.00 0.00 C ATOM 1519 C SER A 100 7.416 15.417 11.808 1.00 0.00 C ATOM 1520 O SER A 100 6.275 14.998 11.619 1.00 0.00 O ATOM 1521 CB SER A 100 9.142 14.578 10.203 1.00 0.00 C ATOM 1522 OG SER A 100 8.112 14.288 9.275 1.00 0.00 O ATOM 0 H SER A 100 8.105 12.522 11.181 1.00 0.00 H new ATOM 0 HA SER A 100 9.409 14.836 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.541 15.574 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.964 13.874 10.071 1.00 0.00 H new ATOM 0 HG SER A 100 8.467 14.345 8.363 1.00 0.00 H new ATOM 1528 N GLY A 101 7.676 16.671 12.165 1.00 0.00 N ATOM 1529 CA GLY A 101 6.601 17.627 12.353 1.00 0.00 C ATOM 1530 C GLY A 101 6.573 18.688 11.270 1.00 0.00 C ATOM 1531 O GLY A 101 5.751 18.648 10.354 1.00 0.00 O ATOM 0 H GLY A 101 8.612 17.042 12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.647 17.099 12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.712 18.107 13.325 1.00 0.00 H new ATOM 1535 N PRO A 102 7.486 19.665 11.370 1.00 0.00 N ATOM 1536 CA PRO A 102 7.583 20.760 10.400 1.00 0.00 C ATOM 1537 C PRO A 102 8.091 20.289 9.042 1.00 0.00 C ATOM 1538 O PRO A 102 9.282 20.029 8.870 1.00 0.00 O ATOM 1539 CB PRO A 102 8.588 21.717 11.044 1.00 0.00 C ATOM 1540 CG PRO A 102 9.415 20.854 11.934 1.00 0.00 C ATOM 1541 CD PRO A 102 8.496 19.775 12.436 1.00 0.00 C ATOM 0 HA PRO A 102 6.612 21.212 10.198 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.201 22.212 10.291 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.083 22.500 11.609 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.258 20.427 11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.829 21.430 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.025 18.834 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.045 20.044 13.391 1.00 0.00 H new ATOM 1549 N SER A 103 7.180 20.181 8.079 1.00 0.00 N ATOM 1550 CA SER A 103 7.536 19.737 6.736 1.00 0.00 C ATOM 1551 C SER A 103 7.706 20.928 5.798 1.00 0.00 C ATOM 1552 O SER A 103 7.176 22.011 6.049 1.00 0.00 O ATOM 1553 CB SER A 103 6.466 18.791 6.189 1.00 0.00 C ATOM 1554 OG SER A 103 6.942 18.085 5.056 1.00 0.00 O ATOM 0 H SER A 103 6.191 20.395 8.204 1.00 0.00 H new ATOM 0 HA SER A 103 8.485 19.205 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.170 18.084 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.576 19.360 5.920 1.00 0.00 H new ATOM 0 HG SER A 103 6.241 17.486 4.726 1.00 0.00 H new ATOM 1560 N SER A 104 8.449 20.720 4.716 1.00 0.00 N ATOM 1561 CA SER A 104 8.693 21.777 3.741 1.00 0.00 C ATOM 1562 C SER A 104 9.565 22.877 4.340 1.00 0.00 C ATOM 1563 O SER A 104 9.308 24.064 4.143 1.00 0.00 O ATOM 1564 CB SER A 104 7.369 22.368 3.256 1.00 0.00 C ATOM 1565 OG SER A 104 7.568 23.219 2.141 1.00 0.00 O ATOM 0 H SER A 104 8.893 19.829 4.492 1.00 0.00 H new ATOM 0 HA SER A 104 9.220 21.340 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.685 21.563 2.986 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.899 22.927 4.065 1.00 0.00 H new ATOM 0 HG SER A 104 8.223 23.911 2.371 1.00 0.00 H new ATOM 1571 N GLY A 105 10.599 22.472 5.071 1.00 0.00 N ATOM 1572 CA GLY A 105 11.493 23.434 5.688 1.00 0.00 C ATOM 1573 C GLY A 105 12.782 23.610 4.909 1.00 0.00 C ATOM 1574 O GLY A 105 13.074 22.836 3.997 1.00 0.00 O ATOM 0 H GLY A 105 10.833 21.495 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.987 24.396 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 105 11.726 23.110 6.702 1.00 0.00 H new TER 1578 GLY A 105