USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 14 THR OG1 : rot -155:sc= 0.492 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.458 USER MOD Set 2.1: A 11 ASN : amide:sc= -0.378 K(o=1.3,f=-9!) USER MOD Set 2.2: A 13 ASN : amide:sc= 0.763 K(o=1.3,f=-0.13!) USER MOD Set 2.3: A 67 ASN : amide:sc= 0.888 K(o=1.3,f=-0.13) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -94:sc= 0.553 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 15 MET CE :methyl 176:sc= -0.312 (180deg=-0.321) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 170:sc= -0.019 USER MOD Single : A 27 THR OG1 : rot -26:sc= 0.0254 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 31 TYR OH : rot 116:sc= 1.01 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -81:sc= 0.699 USER MOD Single : A 38 GLN : amide:sc= -0.695 K(o=-0.7,f=-3.4!) USER MOD Single : A 43 ASN : amide:sc= -0.132 K(o=-0.13,f=-4.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.238 USER MOD Single : A 56 HIS : no HE2:sc= -0.974 K(o=-0.97,f=-1.7) USER MOD Single : A 58 MET CE :methyl -166:sc=-0.00744 (180deg=-0.221) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 0.912 (180deg=0.741) USER MOD Single : A 70 ASN : amide:sc=-0.00278 X(o=-0.0028,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -10.717 3.958 4.047 1.00 50.00 N ATOM 21 CA LYS A 2 -10.260 5.291 4.417 1.00 50.00 C ATOM 22 C LYS A 2 -9.080 5.223 5.379 1.00 50.00 C ATOM 23 O LYS A 2 -9.034 4.364 6.260 1.00 50.00 O ATOM 24 CB LYS A 2 -11.401 6.095 5.042 1.00 50.00 C ATOM 25 CG LYS A 2 -11.031 7.522 5.422 1.00 50.00 C ATOM 26 CD LYS A 2 -12.226 8.270 5.997 1.00 50.00 C ATOM 27 CE LYS A 2 -11.857 9.694 6.381 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.027 10.453 6.897 1.00 75.00 N ATOM 0 HA LYS A 2 -9.930 5.793 3.508 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.235 6.123 4.341 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -11.751 5.574 5.933 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.222 7.508 6.153 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -10.658 8.049 4.544 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.033 8.287 5.265 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -12.601 7.741 6.873 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.075 9.674 7.140 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.445 10.209 5.513 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -12.732 11.418 7.147 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -13.764 10.495 6.164 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.405 9.977 7.741 1.00 75.00 H new ATOM 42 N ILE A 3 -8.127 6.132 5.204 1.00 50.00 N ATOM 43 CA ILE A 3 -6.919 6.142 6.021 1.00 50.00 C ATOM 44 C ILE A 3 -7.211 6.643 7.430 1.00 50.00 C ATOM 45 O ILE A 3 -7.908 7.641 7.612 1.00 50.00 O ATOM 46 CB ILE A 3 -5.820 7.018 5.394 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.362 6.425 4.058 1.00 50.00 C ATOM 48 CG2 ILE A 3 -4.644 7.161 6.347 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.504 7.360 3.237 1.00 50.00 C ATOM 0 H ILE A 3 -8.168 6.872 4.503 1.00 50.00 H new ATOM 0 HA ILE A 3 -6.566 5.112 6.071 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.232 8.010 5.208 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.803 5.509 4.250 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -6.240 6.146 3.475 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -3.877 7.784 5.887 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -4.981 7.626 7.274 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -4.230 6.176 6.565 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -4.219 6.869 2.306 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -5.066 8.267 3.012 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.607 7.619 3.800 1.00 50.00 H new ATOM 61 N ILE A 4 -6.677 5.942 8.424 1.00 10.00 N ATOM 62 CA ILE A 4 -6.711 6.418 9.802 1.00 10.00 C ATOM 63 C ILE A 4 -5.358 6.972 10.228 1.00 10.00 C ATOM 64 O ILE A 4 -5.272 8.061 10.794 1.00 50.00 O ATOM 65 CB ILE A 4 -7.126 5.299 10.775 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.553 4.833 10.475 1.00 50.00 C ATOM 67 CG2 ILE A 4 -7.010 5.777 12.215 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.993 3.644 11.299 1.00 50.00 C ATOM 0 H ILE A 4 -6.215 5.041 8.301 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.454 7.215 9.841 1.00 10.00 H new ATOM 0 HB ILE A 4 -6.452 4.453 10.639 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -9.240 5.660 10.652 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.627 4.578 9.418 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -7.307 4.974 12.890 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.978 6.062 12.422 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.661 6.638 12.366 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -10.014 3.373 11.030 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -8.330 2.801 11.104 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.953 3.900 12.358 1.00 50.00 H new ATOM 80 N SER A 5 -4.301 6.216 9.952 1.00 10.00 N ATOM 81 CA SER A 5 -2.952 6.611 10.342 1.00 10.00 C ATOM 82 C SER A 5 -1.902 5.848 9.545 1.00 10.00 C ATOM 83 O SER A 5 -1.955 4.624 9.444 1.00 50.00 O ATOM 84 CB SER A 5 -2.753 6.388 11.829 1.00 50.00 C ATOM 85 OG SER A 5 -1.449 6.695 12.236 1.00 50.00 O ATOM 0 H SER A 5 -4.352 5.325 9.459 1.00 10.00 H new ATOM 0 HA SER A 5 -2.832 7.672 10.123 1.00 10.00 H new ATOM 0 HB2 SER A 5 -3.461 7.003 12.386 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.973 5.349 12.072 1.00 50.00 H new ATOM 0 HG SER A 5 -1.362 6.540 13.200 1.00 50.00 H new ATOM 91 N ILE A 6 -0.947 6.581 8.980 1.00 10.00 N ATOM 92 CA ILE A 6 0.169 5.969 8.271 1.00 10.00 C ATOM 93 C ILE A 6 1.448 6.033 9.098 1.00 10.00 C ATOM 94 O ILE A 6 1.815 7.091 9.610 1.00 50.00 O ATOM 95 CB ILE A 6 0.415 6.647 6.911 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.816 6.499 6.012 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.645 6.058 6.237 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.735 7.296 4.729 1.00 50.00 C ATOM 0 H ILE A 6 -0.925 7.601 9.000 1.00 10.00 H new ATOM 0 HA ILE A 6 -0.100 4.926 8.103 1.00 10.00 H new ATOM 0 HB ILE A 6 0.593 7.709 7.079 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.950 5.446 5.766 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.700 6.812 6.568 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.804 6.549 5.277 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.517 6.212 6.872 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.496 4.990 6.078 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.643 7.140 4.146 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.633 8.355 4.965 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.129 6.968 4.151 1.00 50.00 H new ATOM 110 N SER A 7 2.121 4.896 9.225 1.00 10.00 N ATOM 111 CA SER A 7 3.322 4.804 10.046 1.00 10.00 C ATOM 112 C SER A 7 4.409 4.000 9.344 1.00 10.00 C ATOM 113 O SER A 7 4.134 3.251 8.408 1.00 50.00 O ATOM 114 CB SER A 7 2.990 4.183 11.389 1.00 50.00 C ATOM 115 OG SER A 7 2.560 2.855 11.263 1.00 50.00 O ATOM 0 H SER A 7 1.855 4.023 8.769 1.00 10.00 H new ATOM 0 HA SER A 7 3.702 5.813 10.206 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.869 4.220 12.032 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.213 4.771 11.878 1.00 50.00 H new ATOM 0 HG SER A 7 2.358 2.491 12.150 1.00 50.00 H new ATOM 121 N GLU A 8 5.646 4.161 9.804 1.00 10.00 N ATOM 122 CA GLU A 8 6.780 3.467 9.206 1.00 50.00 C ATOM 123 C GLU A 8 7.011 2.116 9.869 1.00 10.00 C ATOM 124 O GLU A 8 6.419 1.813 10.906 1.00 50.00 O ATOM 125 CB GLU A 8 8.045 4.325 9.305 1.00 50.00 C ATOM 126 CG GLU A 8 7.994 5.615 8.499 1.00 50.00 C ATOM 127 CD GLU A 8 9.251 6.420 8.679 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.060 6.051 9.495 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.455 7.341 7.922 1.00 50.00 O ATOM 0 H GLU A 8 5.888 4.766 10.589 1.00 10.00 H new ATOM 0 HA GLU A 8 6.549 3.295 8.155 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.221 4.572 10.352 1.00 50.00 H new ATOM 0 HB3 GLU A 8 8.897 3.734 8.969 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.857 5.382 7.443 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.133 6.207 8.809 1.00 50.00 H new ATOM 136 N THR A 9 7.876 1.306 9.267 1.00 50.00 N ATOM 137 CA THR A 9 8.162 -0.029 9.779 1.00 10.00 C ATOM 138 C THR A 9 9.660 -0.245 9.947 1.00 10.00 C ATOM 139 O THR A 9 10.470 0.540 9.452 1.00 50.00 O ATOM 140 CB THR A 9 7.594 -1.120 8.856 1.00 50.00 C ATOM 141 OG1 THR A 9 8.387 -1.201 7.665 1.00 50.00 O ATOM 142 CG2 THR A 9 6.154 -0.810 8.482 1.00 50.00 C ATOM 0 H THR A 9 8.392 1.552 8.422 1.00 50.00 H new ATOM 0 HA THR A 9 7.678 -0.103 10.753 1.00 10.00 H new ATOM 0 HB THR A 9 7.622 -2.072 9.386 1.00 50.00 H new ATOM 0 HG1 THR A 9 7.988 -0.640 6.968 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.771 -1.594 7.829 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.546 -0.761 9.385 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.111 0.148 7.963 1.00 50.00 H new ATOM 150 N PRO A 10 10.025 -1.313 10.645 1.00 50.00 N ATOM 151 CA PRO A 10 11.427 -1.635 10.878 1.00 50.00 C ATOM 152 C PRO A 10 12.203 -1.696 9.568 1.00 50.00 C ATOM 153 O PRO A 10 13.389 -1.371 9.522 1.00 50.00 O ATOM 154 CB PRO A 10 11.387 -2.993 11.588 1.00 50.00 C ATOM 155 CG PRO A 10 10.068 -3.009 12.283 1.00 50.00 C ATOM 156 CD PRO A 10 9.123 -2.281 11.364 1.00 50.00 C ATOM 0 HA PRO A 10 11.940 -0.880 11.474 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.472 -3.815 10.878 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.210 -3.096 12.295 1.00 50.00 H new ATOM 0 HG2 PRO A 10 9.732 -4.030 12.464 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.129 -2.517 13.254 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.629 -2.962 10.671 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.338 -1.766 11.918 1.00 50.00 H new ATOM 164 N ASN A 11 11.526 -2.117 8.504 1.00 50.00 N ATOM 165 CA ASN A 11 12.100 -2.073 7.165 1.00 50.00 C ATOM 166 C ASN A 11 11.536 -0.908 6.362 1.00 50.00 C ATOM 167 O ASN A 11 10.366 -0.916 5.976 1.00 50.00 O ATOM 168 CB ASN A 11 11.877 -3.379 6.424 1.00 50.00 C ATOM 169 CG ASN A 11 12.546 -3.432 5.079 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.968 -2.407 4.532 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.570 -4.609 4.506 1.00 50.00 N ATOM 0 H ASN A 11 10.579 -2.493 8.544 1.00 50.00 H new ATOM 0 HA ASN A 11 13.174 -1.925 7.279 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.246 -4.202 7.036 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.806 -3.534 6.294 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.950 -4.710 3.565 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.209 -5.425 5.001 1.00 50.00 H new ATOM 178 N HIS A 12 12.374 0.091 6.110 1.00 50.00 N ATOM 179 CA HIS A 12 11.917 1.344 5.522 1.00 50.00 C ATOM 180 C HIS A 12 11.406 1.132 4.103 1.00 50.00 C ATOM 181 O HIS A 12 10.724 1.992 3.545 1.00 50.00 O ATOM 182 CB HIS A 12 13.042 2.384 5.524 1.00 50.00 C ATOM 183 CG HIS A 12 14.115 2.111 4.518 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.135 1.210 4.745 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.331 2.620 3.283 1.00 50.00 C ATOM 186 CE1 HIS A 12 15.931 1.176 3.689 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.465 2.022 2.789 1.00 75.00 N ATOM 0 H HIS A 12 13.375 0.057 6.304 1.00 50.00 H new ATOM 0 HA HIS A 12 11.093 1.714 6.132 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.615 3.368 5.329 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.489 2.421 6.518 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.725 3.359 2.779 1.00 50.00 H new ATOM 0 HE1 HIS A 12 16.812 0.561 3.581 1.00 75.00 H new ATOM 0 HE2 HIS A 12 15.880 2.202 1.875 1.00 75.00 H new ATOM 195 N ASN A 13 11.739 -0.016 3.524 1.00 10.00 N ATOM 196 CA ASN A 13 11.336 -0.330 2.159 1.00 10.00 C ATOM 197 C ASN A 13 9.822 -0.457 2.046 1.00 10.00 C ATOM 198 O ASN A 13 9.247 -0.220 0.984 1.00 50.00 O ATOM 199 CB ASN A 13 12.007 -1.597 1.660 1.00 50.00 C ATOM 200 CG ASN A 13 13.463 -1.420 1.328 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.944 -0.298 1.136 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.146 -2.526 1.180 1.00 50.00 N ATOM 0 H ASN A 13 12.288 -0.745 3.980 1.00 10.00 H new ATOM 0 HA ASN A 13 11.661 0.499 1.530 1.00 10.00 H new ATOM 0 HB2 ASN A 13 11.908 -2.373 2.419 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.482 -1.951 0.773 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.124 -2.487 0.893 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.700 -3.427 1.352 1.00 50.00 H new ATOM 209 N THR A 14 9.182 -0.832 3.148 1.00 10.00 N ATOM 210 CA THR A 14 7.729 -0.948 3.188 1.00 10.00 C ATOM 211 C THR A 14 7.135 -0.065 4.278 1.00 10.00 C ATOM 212 O THR A 14 7.771 0.187 5.301 1.00 50.00 O ATOM 213 CB THR A 14 7.285 -2.404 3.425 1.00 50.00 C ATOM 214 OG1 THR A 14 5.857 -2.454 3.561 1.00 50.00 O ATOM 215 CG2 THR A 14 7.930 -2.961 4.684 1.00 50.00 C ATOM 0 H THR A 14 9.647 -1.061 4.026 1.00 10.00 H new ATOM 0 HA THR A 14 7.362 -0.618 2.216 1.00 10.00 H new ATOM 0 HB THR A 14 7.598 -3.007 2.573 1.00 50.00 H new ATOM 0 HG1 THR A 14 5.605 -3.246 4.081 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.604 -3.990 4.835 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.015 -2.935 4.579 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.634 -2.357 5.542 1.00 50.00 H new ATOM 223 N MET A 15 5.914 0.405 4.050 1.00 10.00 N ATOM 224 CA MET A 15 5.265 1.331 4.971 1.00 10.00 C ATOM 225 C MET A 15 3.887 0.828 5.380 1.00 10.00 C ATOM 226 O MET A 15 3.171 0.230 4.577 1.00 50.00 O ATOM 227 CB MET A 15 5.155 2.716 4.336 1.00 50.00 C ATOM 228 CG MET A 15 4.507 3.767 5.227 1.00 50.00 C ATOM 229 SD MET A 15 4.509 5.408 4.478 1.00 50.00 S ATOM 230 CE MET A 15 6.231 5.862 4.663 1.00 50.00 C ATOM 0 H MET A 15 5.353 0.160 3.234 1.00 10.00 H new ATOM 0 HA MET A 15 5.879 1.399 5.869 1.00 10.00 H new ATOM 0 HB2 MET A 15 6.153 3.056 4.060 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.580 2.635 3.414 1.00 50.00 H new ATOM 0 HG2 MET A 15 3.480 3.472 5.443 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.035 3.806 6.180 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.407 6.825 4.183 1.00 50.00 H new ATOM 0 HE2 MET A 15 6.476 5.935 5.723 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.859 5.104 4.196 1.00 50.00 H new ATOM 240 N LYS A 16 3.519 1.074 6.633 1.00 10.00 N ATOM 241 CA LYS A 16 2.275 0.553 7.183 1.00 10.00 C ATOM 242 C LYS A 16 1.162 1.590 7.105 1.00 10.00 C ATOM 243 O LYS A 16 1.338 2.736 7.517 1.00 50.00 O ATOM 244 CB LYS A 16 2.474 0.105 8.631 1.00 50.00 C ATOM 245 CG LYS A 16 1.208 -0.386 9.319 1.00 50.00 C ATOM 246 CD LYS A 16 1.475 -0.764 10.767 1.00 50.00 C ATOM 247 CE LYS A 16 0.190 -1.135 11.490 1.00 50.00 C ATOM 248 NZ LYS A 16 0.438 -1.530 12.903 1.00 50.00 N ATOM 0 H LYS A 16 4.067 1.633 7.287 1.00 10.00 H new ATOM 0 HA LYS A 16 1.982 -0.309 6.584 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.217 -0.692 8.653 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.884 0.938 9.203 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.445 0.392 9.279 1.00 50.00 H new ATOM 0 HG3 LYS A 16 0.812 -1.249 8.783 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.170 -1.603 10.803 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.955 0.070 11.280 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.497 -0.289 11.466 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.297 -1.956 10.964 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.464 -1.775 13.359 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.073 -2.354 12.927 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.879 -0.738 13.413 1.00 50.00 H new ATOM 262 N ILE A 17 0.014 1.181 6.573 1.00 10.00 N ATOM 263 CA ILE A 17 -1.133 2.071 6.451 1.00 10.00 C ATOM 264 C ILE A 17 -2.340 1.519 7.198 1.00 10.00 C ATOM 265 O ILE A 17 -2.948 0.535 6.775 1.00 50.00 O ATOM 266 CB ILE A 17 -1.515 2.302 4.977 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.327 2.881 4.203 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.720 3.225 4.877 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.552 2.958 2.710 1.00 50.00 C ATOM 0 H ILE A 17 -0.145 0.238 6.220 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.840 3.023 6.894 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.781 1.343 4.533 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.111 3.880 4.581 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.554 2.270 4.397 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.976 3.377 3.828 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.567 2.775 5.396 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.482 4.185 5.335 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.332 3.378 2.230 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.737 1.958 2.318 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.413 3.594 2.504 1.00 50.00 H new ATOM 281 N THR A 18 -2.685 2.158 8.310 1.00 10.00 N ATOM 282 CA THR A 18 -3.838 1.749 9.104 1.00 10.00 C ATOM 283 C THR A 18 -5.131 2.300 8.520 1.00 10.00 C ATOM 284 O THR A 18 -5.289 3.512 8.368 1.00 50.00 O ATOM 285 CB THR A 18 -3.709 2.211 10.568 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.541 1.626 11.156 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.936 1.798 11.367 1.00 50.00 C ATOM 0 H THR A 18 -2.182 2.963 8.683 1.00 10.00 H new ATOM 0 HA THR A 18 -3.867 0.660 9.078 1.00 10.00 H new ATOM 0 HB THR A 18 -3.626 3.298 10.584 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.460 1.922 12.087 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.828 2.132 12.399 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.825 2.252 10.930 1.00 50.00 H new ATOM 0 HG23 THR A 18 -5.036 0.713 11.346 1.00 50.00 H new ATOM 295 N LEU A 19 -6.058 1.403 8.194 1.00 10.00 N ATOM 296 CA LEU A 19 -7.292 1.787 7.520 1.00 50.00 C ATOM 297 C LEU A 19 -8.503 1.550 8.414 1.00 10.00 C ATOM 298 O LEU A 19 -8.440 0.775 9.368 1.00 50.00 O ATOM 299 CB LEU A 19 -7.440 1.014 6.204 1.00 50.00 C ATOM 300 CG LEU A 19 -6.297 1.208 5.200 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.486 0.281 4.008 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.254 2.662 4.751 1.00 50.00 C ATOM 0 H LEU A 19 -5.977 0.405 8.387 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.240 2.853 7.300 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.525 -0.048 6.433 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.374 1.313 5.729 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.349 0.961 5.677 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -5.669 0.426 3.301 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.491 -0.754 4.349 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.434 0.506 3.519 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.441 2.799 4.038 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.200 2.925 4.278 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.090 3.305 5.616 1.00 50.00 H new ATOM 314 N SER A 20 -9.604 2.223 8.099 1.00 10.00 N ATOM 315 CA SER A 20 -10.897 1.894 8.686 1.00 10.00 C ATOM 316 C SER A 20 -11.529 0.693 7.992 1.00 50.00 C ATOM 317 O SER A 20 -11.940 -0.267 8.644 1.00 50.00 O ATOM 318 CB SER A 20 -11.824 3.091 8.615 1.00 50.00 C ATOM 319 OG SER A 20 -12.084 3.478 7.294 1.00 50.00 O ATOM 0 H SER A 20 -9.627 3.001 7.439 1.00 10.00 H new ATOM 0 HA SER A 20 -10.736 1.631 9.732 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.763 2.852 9.114 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.379 3.926 9.156 1.00 50.00 H new ATOM 0 HG SER A 20 -12.804 4.142 7.284 1.00 50.00 H new ATOM 414 N THR A 27 -8.382 -11.161 6.413 1.00 50.00 N ATOM 415 CA THR A 27 -7.330 -12.161 6.555 1.00 50.00 C ATOM 416 C THR A 27 -6.020 -11.672 5.953 1.00 50.00 C ATOM 417 O THR A 27 -5.979 -10.637 5.289 1.00 50.00 O ATOM 418 CB THR A 27 -7.724 -13.494 5.891 1.00 50.00 C ATOM 419 OG1 THR A 27 -7.885 -13.298 4.480 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.024 -14.019 6.479 1.00 75.00 C ATOM 0 HA THR A 27 -7.195 -12.325 7.624 1.00 50.00 H new ATOM 0 HB THR A 27 -6.935 -14.223 6.076 1.00 50.00 H new ATOM 0 HG1 THR A 27 -8.127 -12.365 4.305 1.00 50.00 H new ATOM 0 HG21 THR A 27 -9.287 -14.961 5.998 1.00 75.00 H new ATOM 0 HG22 THR A 27 -8.900 -14.181 7.550 1.00 75.00 H new ATOM 0 HG23 THR A 27 -9.819 -13.292 6.311 1.00 75.00 H new ATOM 428 N SER A 28 -4.949 -12.423 6.188 1.00 10.00 N ATOM 429 CA SER A 28 -3.651 -12.113 5.602 1.00 10.00 C ATOM 430 C SER A 28 -3.571 -12.592 4.158 1.00 10.00 C ATOM 431 O SER A 28 -4.141 -13.624 3.804 1.00 50.00 O ATOM 432 CB SER A 28 -2.542 -12.735 6.428 1.00 50.00 C ATOM 433 OG SER A 28 -2.560 -14.134 6.364 1.00 50.00 O ATOM 0 H SER A 28 -4.955 -13.252 6.782 1.00 10.00 H new ATOM 0 HA SER A 28 -3.528 -11.030 5.603 1.00 10.00 H new ATOM 0 HB2 SER A 28 -1.578 -12.369 6.075 1.00 50.00 H new ATOM 0 HB3 SER A 28 -2.642 -12.418 7.466 1.00 50.00 H new ATOM 0 HG SER A 28 -1.829 -14.496 6.908 1.00 50.00 H new ATOM 439 N ASP A 29 -2.859 -11.836 3.328 1.00 10.00 N ATOM 440 CA ASP A 29 -2.666 -12.205 1.932 1.00 10.00 C ATOM 441 C ASP A 29 -1.563 -11.374 1.289 1.00 10.00 C ATOM 442 O ASP A 29 -1.236 -10.286 1.764 1.00 50.00 O ATOM 443 CB ASP A 29 -3.972 -12.040 1.147 1.00 50.00 C ATOM 444 CG ASP A 29 -4.085 -12.936 -0.078 1.00 50.00 C ATOM 445 OD1 ASP A 29 -3.114 -13.566 -0.423 1.00 50.00 O ATOM 446 OD2 ASP A 29 -5.178 -13.105 -0.565 1.00 50.00 O ATOM 0 H ASP A 29 -2.406 -10.963 3.600 1.00 10.00 H new ATOM 0 HA ASP A 29 -2.365 -13.252 1.904 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -4.810 -12.247 1.812 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.064 -11.001 0.832 1.00 50.00 H new ATOM 451 N THR A 30 -0.992 -11.893 0.206 1.00 10.00 N ATOM 452 CA THR A 30 0.083 -11.203 -0.497 1.00 10.00 C ATOM 453 C THR A 30 -0.249 -11.032 -1.974 1.00 10.00 C ATOM 454 O THR A 30 -0.629 -11.988 -2.649 1.00 50.00 O ATOM 455 CB THR A 30 1.419 -11.957 -0.365 1.00 50.00 C ATOM 456 OG1 THR A 30 1.756 -12.100 1.019 1.00 50.00 O ATOM 457 CG2 THR A 30 2.530 -11.201 -1.077 1.00 50.00 C ATOM 0 H THR A 30 -1.256 -12.789 -0.203 1.00 10.00 H new ATOM 0 HA THR A 30 0.184 -10.222 -0.034 1.00 10.00 H new ATOM 0 HB THR A 30 1.310 -12.940 -0.823 1.00 50.00 H new ATOM 0 HG1 THR A 30 2.606 -12.581 1.101 1.00 50.00 H new ATOM 0 HG21 THR A 30 3.467 -11.748 -0.973 1.00 50.00 H new ATOM 0 HG22 THR A 30 2.283 -11.101 -2.134 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.638 -10.211 -0.635 1.00 50.00 H new ATOM 465 N TYR A 31 -0.101 -9.808 -2.469 1.00 10.00 N ATOM 466 CA TYR A 31 -0.334 -9.519 -3.879 1.00 10.00 C ATOM 467 C TYR A 31 0.844 -8.769 -4.488 1.00 10.00 C ATOM 468 O TYR A 31 1.462 -7.929 -3.835 1.00 50.00 O ATOM 469 CB TYR A 31 -1.621 -8.710 -4.056 1.00 50.00 C ATOM 470 CG TYR A 31 -2.873 -9.454 -3.650 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.523 -10.291 -4.545 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.403 -9.316 -2.376 1.00 50.00 C ATOM 473 CE1 TYR A 31 -4.667 -10.973 -4.180 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.547 -9.993 -2.001 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.177 -10.821 -2.907 1.00 50.00 C ATOM 476 OH TYR A 31 -6.317 -11.499 -2.539 1.00 50.00 O ATOM 0 H TYR A 31 0.180 -8.999 -1.914 1.00 10.00 H new ATOM 0 HA TYR A 31 -0.440 -10.470 -4.401 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.547 -7.795 -3.468 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.710 -8.411 -5.101 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.128 -10.411 -5.543 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.913 -8.668 -1.665 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.160 -11.623 -4.888 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.946 -9.875 -1.004 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.103 -12.136 -1.826 1.00 50.00 H new ATOM 486 N THR A 32 1.150 -9.076 -5.745 1.00 10.00 N ATOM 487 CA THR A 32 2.231 -8.406 -6.457 1.00 10.00 C ATOM 488 C THR A 32 1.735 -7.797 -7.762 1.00 10.00 C ATOM 489 O THR A 32 2.315 -6.836 -8.269 1.00 50.00 O ATOM 490 CB THR A 32 3.390 -9.371 -6.760 1.00 50.00 C ATOM 491 OG1 THR A 32 2.920 -10.444 -7.586 1.00 50.00 O ATOM 492 CG2 THR A 32 3.961 -9.941 -5.471 1.00 50.00 C ATOM 0 H THR A 32 0.663 -9.786 -6.292 1.00 10.00 H new ATOM 0 HA THR A 32 2.594 -7.612 -5.804 1.00 10.00 H new ATOM 0 HB THR A 32 4.174 -8.820 -7.280 1.00 50.00 H new ATOM 0 HG1 THR A 32 3.660 -11.057 -7.779 1.00 50.00 H new ATOM 0 HG21 THR A 32 4.780 -10.621 -5.705 1.00 50.00 H new ATOM 0 HG22 THR A 32 4.332 -9.128 -4.847 1.00 50.00 H new ATOM 0 HG23 THR A 32 3.181 -10.483 -4.936 1.00 50.00 H new ATOM 500 N LYS A 33 0.661 -8.361 -8.302 1.00 10.00 N ATOM 501 CA LYS A 33 0.154 -7.951 -9.606 1.00 50.00 C ATOM 502 C LYS A 33 -1.280 -7.446 -9.507 1.00 50.00 C ATOM 503 O LYS A 33 -2.043 -7.885 -8.647 1.00 50.00 O ATOM 504 CB LYS A 33 0.236 -9.110 -10.601 1.00 50.00 C ATOM 505 CG LYS A 33 1.654 -9.552 -10.938 1.00 50.00 C ATOM 506 CD LYS A 33 1.656 -10.672 -11.968 1.00 50.00 C ATOM 507 CE LYS A 33 3.072 -11.098 -12.322 1.00 75.00 C ATOM 508 NZ LYS A 33 3.089 -12.174 -13.349 1.00 75.00 N ATOM 0 H LYS A 33 0.124 -9.105 -7.856 1.00 10.00 H new ATOM 0 HA LYS A 33 0.779 -7.132 -9.963 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -0.310 -9.961 -10.194 1.00 50.00 H new ATOM 0 HB3 LYS A 33 -0.269 -8.818 -11.522 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.220 -8.703 -11.320 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.157 -9.888 -10.031 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.104 -11.527 -11.579 1.00 50.00 H new ATOM 0 HD3 LYS A 33 1.138 -10.341 -12.868 1.00 50.00 H new ATOM 0 HE2 LYS A 33 3.629 -10.236 -12.690 1.00 75.00 H new ATOM 0 HE3 LYS A 33 3.581 -11.446 -11.423 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 4.073 -12.435 -13.562 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.580 -13.006 -12.988 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 2.626 -11.834 -14.216 1.00 75.00 H new ATOM 522 N VAL A 34 -1.639 -6.522 -10.391 1.00 50.00 N ATOM 523 CA VAL A 34 -2.998 -5.995 -10.439 1.00 50.00 C ATOM 524 C VAL A 34 -3.996 -7.079 -10.825 1.00 50.00 C ATOM 525 O VAL A 34 -3.746 -7.873 -11.731 1.00 50.00 O ATOM 526 CB VAL A 34 -3.116 -4.826 -11.433 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.573 -4.434 -11.625 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.304 -3.633 -10.952 1.00 50.00 C ATOM 0 H VAL A 34 -1.007 -6.122 -11.085 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.229 -5.633 -9.437 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.717 -5.151 -12.394 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.637 -3.606 -12.331 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -5.131 -5.286 -12.013 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.997 -4.129 -10.668 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.399 -2.816 -11.667 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.675 -3.309 -9.979 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.256 -3.918 -10.864 1.00 50.00 H new ATOM 538 N ASP A 35 -5.129 -7.108 -10.130 1.00 50.00 N ATOM 539 CA ASP A 35 -6.115 -8.165 -10.314 1.00 50.00 C ATOM 540 C ASP A 35 -7.502 -7.705 -9.887 1.00 50.00 C ATOM 541 O ASP A 35 -7.648 -6.955 -8.922 1.00 50.00 O ATOM 542 CB ASP A 35 -5.712 -9.417 -9.532 1.00 50.00 C ATOM 543 CG ASP A 35 -6.429 -10.689 -9.966 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.610 -10.788 -9.738 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.829 -11.479 -10.655 1.00 50.00 O ATOM 0 H ASP A 35 -5.387 -6.409 -9.433 1.00 50.00 H new ATOM 0 HA ASP A 35 -6.149 -8.407 -11.376 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.637 -9.566 -9.638 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.908 -9.248 -8.473 1.00 50.00 H new ATOM 550 N ASP A 36 -8.521 -8.161 -10.609 1.00 50.00 N ATOM 551 CA ASP A 36 -9.892 -7.740 -10.353 1.00 50.00 C ATOM 552 C ASP A 36 -10.368 -8.218 -8.986 1.00 50.00 C ATOM 553 O ASP A 36 -11.283 -7.640 -8.400 1.00 50.00 O ATOM 554 CB ASP A 36 -10.827 -8.260 -11.447 1.00 50.00 C ATOM 555 CG ASP A 36 -10.688 -7.545 -12.784 1.00 50.00 C ATOM 556 OD1 ASP A 36 -10.059 -6.514 -12.822 1.00 50.00 O ATOM 557 OD2 ASP A 36 -11.075 -8.110 -13.780 1.00 50.00 O ATOM 0 H ASP A 36 -8.421 -8.824 -11.378 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.913 -6.650 -10.360 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.637 -9.323 -11.596 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.857 -8.165 -11.103 1.00 50.00 H new ATOM 562 N SER A 37 -9.743 -9.278 -8.485 1.00 50.00 N ATOM 563 CA SER A 37 -10.109 -9.843 -7.192 1.00 50.00 C ATOM 564 C SER A 37 -9.711 -8.911 -6.053 1.00 50.00 C ATOM 565 O SER A 37 -10.167 -9.070 -4.921 1.00 50.00 O ATOM 566 CB SER A 37 -9.460 -11.201 -7.012 1.00 50.00 C ATOM 567 OG SER A 37 -8.062 -11.115 -6.963 1.00 50.00 O ATOM 0 H SER A 37 -8.979 -9.764 -8.956 1.00 50.00 H new ATOM 0 HA SER A 37 -11.192 -9.962 -7.168 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.827 -11.659 -6.093 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.754 -11.855 -7.833 1.00 50.00 H new ATOM 0 HG SER A 37 -7.705 -11.060 -7.874 1.00 50.00 H new ATOM 573 N GLN A 38 -8.858 -7.940 -6.360 1.00 50.00 N ATOM 574 CA GLN A 38 -8.442 -6.946 -5.376 1.00 50.00 C ATOM 575 C GLN A 38 -9.298 -5.690 -5.467 1.00 50.00 C ATOM 576 O GLN A 38 -9.828 -5.362 -6.528 1.00 50.00 O ATOM 577 CB GLN A 38 -6.968 -6.583 -5.572 1.00 50.00 C ATOM 578 CG GLN A 38 -6.012 -7.755 -5.415 1.00 50.00 C ATOM 579 CD GLN A 38 -4.578 -7.376 -5.730 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.901 -6.727 -4.926 1.00 75.00 O ATOM 581 NE2 GLN A 38 -4.105 -7.776 -6.905 1.00 50.00 N ATOM 0 H GLN A 38 -8.441 -7.820 -7.283 1.00 50.00 H new ATOM 0 HA GLN A 38 -8.575 -7.383 -4.386 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.840 -6.155 -6.566 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.697 -5.809 -4.854 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -6.069 -8.133 -4.394 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.324 -8.566 -6.073 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -4.699 -8.310 -7.539 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -3.148 -7.549 -7.173 1.00 50.00 H new ATOM 590 N PRO A 39 -9.428 -4.987 -4.346 1.00 50.00 N ATOM 591 CA PRO A 39 -10.019 -3.656 -4.342 1.00 50.00 C ATOM 592 C PRO A 39 -9.405 -2.776 -5.423 1.00 50.00 C ATOM 593 O PRO A 39 -8.193 -2.790 -5.634 1.00 50.00 O ATOM 594 CB PRO A 39 -9.733 -3.123 -2.934 1.00 50.00 C ATOM 595 CG PRO A 39 -9.568 -4.347 -2.101 1.00 50.00 C ATOM 596 CD PRO A 39 -8.907 -5.357 -3.000 1.00 50.00 C ATOM 0 HA PRO A 39 -11.086 -3.668 -4.563 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.834 -2.507 -2.917 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -10.552 -2.502 -2.570 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -8.957 -4.144 -1.222 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -10.531 -4.711 -1.743 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -7.820 -5.290 -2.954 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -9.175 -6.378 -2.728 1.00 50.00 H new ATOM 604 N ALA A 40 -10.250 -2.010 -6.107 1.00 50.00 N ATOM 605 CA ALA A 40 -9.780 -0.995 -7.041 1.00 50.00 C ATOM 606 C ALA A 40 -8.721 -0.107 -6.400 1.00 50.00 C ATOM 607 O ALA A 40 -7.748 0.282 -7.048 1.00 50.00 O ATOM 608 CB ALA A 40 -10.947 -0.156 -7.544 1.00 50.00 C ATOM 0 H ALA A 40 -11.265 -2.074 -6.031 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.323 -1.503 -7.890 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.580 0.598 -8.241 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.666 -0.800 -8.051 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.432 0.335 -6.701 1.00 50.00 H new ATOM 614 N PHE A 41 -8.915 0.211 -5.125 1.00 50.00 N ATOM 615 CA PHE A 41 -7.916 0.950 -4.359 1.00 50.00 C ATOM 616 C PHE A 41 -6.555 0.270 -4.429 1.00 50.00 C ATOM 617 O PHE A 41 -5.556 0.897 -4.785 1.00 50.00 O ATOM 618 CB PHE A 41 -8.359 1.091 -2.902 1.00 50.00 C ATOM 619 CG PHE A 41 -9.519 2.027 -2.708 1.00 50.00 C ATOM 620 CD1 PHE A 41 -10.810 1.630 -3.025 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.322 3.306 -2.210 1.00 75.00 C ATOM 622 CE1 PHE A 41 -11.877 2.490 -2.849 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.386 4.167 -2.031 1.00 75.00 C ATOM 624 CZ PHE A 41 -11.665 3.758 -2.351 1.00 75.00 C ATOM 0 H PHE A 41 -9.755 -0.031 -4.599 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.823 1.943 -4.800 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.630 0.108 -2.518 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -7.516 1.444 -2.308 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -10.983 0.637 -3.414 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.324 3.633 -1.959 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -12.877 2.169 -3.101 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.218 5.160 -1.641 1.00 75.00 H new ATOM 0 HZ PHE A 41 -12.499 4.430 -2.211 1.00 75.00 H new ATOM 634 N ILE A 42 -6.521 -1.013 -4.089 1.00 50.00 N ATOM 635 CA ILE A 42 -5.272 -1.763 -4.055 1.00 50.00 C ATOM 636 C ILE A 42 -4.659 -1.876 -5.446 1.00 10.00 C ATOM 637 O ILE A 42 -3.438 -1.886 -5.597 1.00 50.00 O ATOM 638 CB ILE A 42 -5.476 -3.176 -3.480 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.950 -3.097 -2.025 1.00 50.00 C ATOM 640 CG2 ILE A 42 -4.193 -3.985 -3.582 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.979 -2.392 -1.105 1.00 50.00 C ATOM 0 H ILE A 42 -7.345 -1.556 -3.833 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.593 -1.211 -3.405 1.00 50.00 H new ATOM 0 HB ILE A 42 -6.245 -3.680 -4.066 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.908 -2.579 -1.992 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -6.121 -4.107 -1.653 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -4.357 -4.981 -3.170 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.898 -4.069 -4.628 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -3.403 -3.486 -3.021 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -5.383 -2.375 -0.093 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -4.026 -2.922 -1.107 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.826 -1.370 -1.451 1.00 50.00 H new ATOM 653 N ASN A 43 -5.514 -1.962 -6.459 1.00 10.00 N ATOM 654 CA ASN A 43 -5.059 -2.055 -7.840 1.00 10.00 C ATOM 655 C ASN A 43 -4.359 -0.775 -8.277 1.00 10.00 C ATOM 656 O ASN A 43 -3.282 -0.818 -8.873 1.00 50.00 O ATOM 657 CB ASN A 43 -6.205 -2.373 -8.783 1.00 50.00 C ATOM 658 CG ASN A 43 -6.660 -3.806 -8.720 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.882 -4.712 -8.399 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.891 -4.025 -9.104 1.00 50.00 N ATOM 0 H ASN A 43 -6.528 -1.969 -6.349 1.00 10.00 H new ATOM 0 HA ASN A 43 -4.342 -2.875 -7.887 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -7.048 -1.723 -8.549 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.899 -2.143 -9.803 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -8.249 -4.979 -9.149 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.493 -3.242 -9.358 1.00 50.00 H new ATOM 667 N ASP A 44 -4.976 0.362 -7.979 1.00 10.00 N ATOM 668 CA ASP A 44 -4.368 1.659 -8.253 1.00 10.00 C ATOM 669 C ASP A 44 -3.013 1.788 -7.571 1.00 10.00 C ATOM 670 O ASP A 44 -2.041 2.235 -8.180 1.00 50.00 O ATOM 671 CB ASP A 44 -5.294 2.791 -7.801 1.00 50.00 C ATOM 672 CG ASP A 44 -6.501 3.014 -8.703 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.519 2.475 -9.783 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.460 3.588 -8.244 1.00 50.00 O ATOM 0 H ASP A 44 -5.899 0.412 -7.547 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.216 1.734 -9.330 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.645 2.576 -6.792 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.719 3.716 -7.749 1.00 50.00 H new ATOM 679 N ILE A 45 -2.953 1.391 -6.305 1.00 10.00 N ATOM 680 CA ILE A 45 -1.722 1.486 -5.529 1.00 10.00 C ATOM 681 C ILE A 45 -0.602 0.680 -6.173 1.00 10.00 C ATOM 682 O ILE A 45 0.543 1.130 -6.235 1.00 50.00 O ATOM 683 CB ILE A 45 -1.925 0.999 -4.083 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.880 1.933 -3.333 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.591 0.904 -3.360 1.00 50.00 C ATOM 686 CD1 ILE A 45 -3.389 1.367 -2.028 1.00 50.00 C ATOM 0 H ILE A 45 -3.744 1.000 -5.793 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.444 2.540 -5.511 1.00 10.00 H new ATOM 0 HB ILE A 45 -2.370 0.004 -4.113 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -2.370 2.876 -3.135 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.730 2.160 -3.976 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.754 0.558 -2.339 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.057 0.200 -3.882 1.00 50.00 H new ATOM 0 HG23 ILE A 45 -0.118 1.886 -3.339 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -4.059 2.086 -1.556 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.929 0.440 -2.220 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.547 1.167 -1.365 1.00 50.00 H new ATOM 698 N LEU A 46 -0.938 -0.511 -6.654 1.00 10.00 N ATOM 699 CA LEU A 46 0.005 -1.326 -7.410 1.00 10.00 C ATOM 700 C LEU A 46 0.524 -0.577 -8.631 1.00 10.00 C ATOM 701 O LEU A 46 1.703 -0.675 -8.976 1.00 50.00 O ATOM 702 CB LEU A 46 -0.654 -2.644 -7.834 1.00 50.00 C ATOM 703 CG LEU A 46 -0.911 -3.642 -6.696 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.804 -4.773 -7.184 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.418 -4.185 -6.188 1.00 50.00 C ATOM 0 H LEU A 46 -1.858 -0.934 -6.534 1.00 10.00 H new ATOM 0 HA LEU A 46 0.855 -1.547 -6.764 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.604 -2.417 -8.318 1.00 50.00 H new ATOM 0 HB3 LEU A 46 -0.022 -3.124 -8.581 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.421 -3.136 -5.876 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.980 -5.475 -6.369 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.756 -4.365 -7.523 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -1.317 -5.291 -8.010 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.237 -4.894 -5.380 1.00 50.00 H new ATOM 0 HD22 LEU A 46 0.940 -4.688 -7.002 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.030 -3.362 -5.818 1.00 50.00 H new ATOM 717 N LYS A 47 -0.361 0.169 -9.282 1.00 10.00 N ATOM 718 CA LYS A 47 -0.013 0.872 -10.511 1.00 10.00 C ATOM 719 C LYS A 47 0.806 2.121 -10.218 1.00 10.00 C ATOM 720 O LYS A 47 1.459 2.669 -11.106 1.00 50.00 O ATOM 721 CB LYS A 47 -1.276 1.241 -11.291 1.00 50.00 C ATOM 722 CG LYS A 47 -2.021 0.053 -11.885 1.00 50.00 C ATOM 723 CD LYS A 47 -3.249 0.502 -12.662 1.00 50.00 C ATOM 724 CE LYS A 47 -3.993 -0.684 -13.257 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.185 -0.258 -14.040 1.00 50.00 N ATOM 0 H LYS A 47 -1.326 0.303 -8.979 1.00 10.00 H new ATOM 0 HA LYS A 47 0.595 0.202 -11.118 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.951 1.783 -10.629 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.004 1.923 -12.097 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.355 -0.504 -12.544 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.321 -0.626 -11.087 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.915 1.058 -12.003 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.949 1.182 -13.459 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.319 -1.249 -13.901 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.306 -1.355 -12.457 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.663 -1.096 -14.428 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.841 0.259 -13.420 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.885 0.361 -14.820 1.00 50.00 H new ATOM 739 N VAL A 48 0.769 2.566 -8.966 1.00 10.00 N ATOM 740 CA VAL A 48 1.591 3.689 -8.528 1.00 10.00 C ATOM 741 C VAL A 48 3.071 3.400 -8.732 1.00 10.00 C ATOM 742 O VAL A 48 3.593 2.402 -8.235 1.00 50.00 O ATOM 743 CB VAL A 48 1.343 4.025 -7.046 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.360 5.044 -6.553 1.00 50.00 C ATOM 745 CG2 VAL A 48 -0.072 4.549 -6.847 1.00 50.00 C ATOM 0 H VAL A 48 0.179 2.166 -8.237 1.00 10.00 H new ATOM 0 HA VAL A 48 1.304 4.545 -9.138 1.00 10.00 H new ATOM 0 HB VAL A 48 1.458 3.111 -6.463 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.170 5.270 -5.504 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.365 4.636 -6.660 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.275 5.957 -7.142 1.00 50.00 H new ATOM 0 HG21 VAL A 48 -0.229 4.781 -5.794 1.00 50.00 H new ATOM 0 HG22 VAL A 48 -0.213 5.451 -7.442 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.789 3.791 -7.162 1.00 50.00 H new ATOM 755 N GLU A 49 3.744 4.277 -9.467 1.00 10.00 N ATOM 756 CA GLU A 49 5.163 4.109 -9.755 1.00 10.00 C ATOM 757 C GLU A 49 5.980 4.021 -8.472 1.00 10.00 C ATOM 758 O GLU A 49 5.911 4.906 -7.620 1.00 50.00 O ATOM 759 CB GLU A 49 5.675 5.259 -10.625 1.00 50.00 C ATOM 760 CG GLU A 49 7.127 5.120 -11.061 1.00 50.00 C ATOM 761 CD GLU A 49 7.541 6.260 -11.949 1.00 50.00 C ATOM 762 OE1 GLU A 49 6.709 7.074 -12.268 1.00 50.00 O ATOM 763 OE2 GLU A 49 8.714 6.381 -12.218 1.00 50.00 O ATOM 0 H GLU A 49 3.328 5.114 -9.875 1.00 10.00 H new ATOM 0 HA GLU A 49 5.282 3.173 -10.300 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.047 5.334 -11.513 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.561 6.193 -10.075 1.00 50.00 H new ATOM 0 HG2 GLU A 49 7.771 5.088 -10.182 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.262 4.176 -11.590 1.00 50.00 H new ATOM 770 N GLY A 50 6.750 2.947 -8.340 1.00 10.00 N ATOM 771 CA GLY A 50 7.624 2.768 -7.186 1.00 10.00 C ATOM 772 C GLY A 50 7.173 1.594 -6.328 1.00 10.00 C ATOM 773 O GLY A 50 7.986 0.938 -5.678 1.00 50.00 O ATOM 0 H GLY A 50 6.787 2.186 -9.018 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.647 2.602 -7.524 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.630 3.678 -6.587 1.00 10.00 H new ATOM 777 N VAL A 51 5.869 1.333 -6.331 1.00 10.00 N ATOM 778 CA VAL A 51 5.306 0.238 -5.551 1.00 10.00 C ATOM 779 C VAL A 51 5.601 -1.106 -6.198 1.00 10.00 C ATOM 780 O VAL A 51 5.309 -1.318 -7.374 1.00 50.00 O ATOM 781 CB VAL A 51 3.783 0.391 -5.379 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.206 -0.807 -4.642 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.456 1.678 -4.636 1.00 50.00 C ATOM 0 H VAL A 51 5.183 1.866 -6.866 1.00 10.00 H new ATOM 0 HA VAL A 51 5.778 0.277 -4.569 1.00 10.00 H new ATOM 0 HB VAL A 51 3.330 0.439 -6.369 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.129 -0.681 -4.530 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.408 -1.715 -5.210 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.667 -0.885 -3.657 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.376 1.769 -4.524 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.923 1.658 -3.651 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.835 2.530 -5.200 1.00 50.00 H new ATOM 793 N LYS A 52 6.183 -2.016 -5.423 1.00 10.00 N ATOM 794 CA LYS A 52 6.558 -3.330 -5.930 1.00 10.00 C ATOM 795 C LYS A 52 5.531 -4.385 -5.540 1.00 10.00 C ATOM 796 O LYS A 52 5.057 -5.146 -6.384 1.00 50.00 O ATOM 797 CB LYS A 52 7.942 -3.729 -5.416 1.00 50.00 C ATOM 798 CG LYS A 52 9.101 -3.097 -6.175 1.00 50.00 C ATOM 799 CD LYS A 52 10.429 -3.726 -5.783 1.00 50.00 C ATOM 800 CE LYS A 52 11.526 -3.372 -6.777 1.00 50.00 C ATOM 801 NZ LYS A 52 12.868 -3.802 -6.302 1.00 50.00 N ATOM 0 H LYS A 52 6.405 -1.866 -4.439 1.00 10.00 H new ATOM 0 HA LYS A 52 6.589 -3.270 -7.018 1.00 10.00 H new ATOM 0 HB2 LYS A 52 8.019 -3.453 -4.364 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.037 -4.814 -5.469 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.943 -3.215 -7.247 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.130 -2.026 -5.973 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.714 -3.386 -4.787 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.319 -4.809 -5.731 1.00 50.00 H new ATOM 0 HE2 LYS A 52 11.312 -3.844 -7.736 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.529 -2.295 -6.945 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 13.586 -3.542 -7.008 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 13.084 -3.332 -5.400 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.874 -4.833 -6.166 1.00 50.00 H new ATOM 815 N SER A 53 5.189 -4.424 -4.257 1.00 10.00 N ATOM 816 CA SER A 53 4.302 -5.455 -3.731 1.00 10.00 C ATOM 817 C SER A 53 3.428 -4.909 -2.609 1.00 10.00 C ATOM 818 O SER A 53 3.791 -3.943 -1.940 1.00 50.00 O ATOM 819 CB SER A 53 5.112 -6.640 -3.241 1.00 50.00 C ATOM 820 OG SER A 53 5.917 -6.309 -2.142 1.00 50.00 O ATOM 0 H SER A 53 5.513 -3.752 -3.561 1.00 10.00 H new ATOM 0 HA SER A 53 3.646 -5.783 -4.537 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.438 -7.451 -2.965 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.740 -7.010 -4.052 1.00 50.00 H new ATOM 0 HG SER A 53 6.421 -7.099 -1.856 1.00 50.00 H new ATOM 826 N ILE A 54 2.273 -5.536 -2.410 1.00 10.00 N ATOM 827 CA ILE A 54 1.380 -5.164 -1.320 1.00 10.00 C ATOM 828 C ILE A 54 1.013 -6.377 -0.471 1.00 10.00 C ATOM 829 O ILE A 54 0.509 -7.376 -0.983 1.00 50.00 O ATOM 830 CB ILE A 54 0.089 -4.509 -1.844 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.418 -3.238 -2.631 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.856 -4.198 -0.694 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.789 -2.578 -3.258 1.00 50.00 C ATOM 0 H ILE A 54 1.934 -6.304 -2.990 1.00 10.00 H new ATOM 0 HA ILE A 54 1.919 -4.442 -0.706 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.408 -5.210 -2.514 1.00 50.00 H new ATOM 0 HG12 ILE A 54 0.905 -2.526 -1.965 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.135 -3.483 -3.415 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.763 -3.735 -1.083 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.114 -5.121 -0.175 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.370 -3.514 0.002 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.476 -1.685 -3.798 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -1.265 -3.272 -3.950 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.498 -2.300 -2.478 1.00 50.00 H new ATOM 845 N PHE A 55 1.271 -6.280 0.828 1.00 10.00 N ATOM 846 CA PHE A 55 0.859 -7.316 1.768 1.00 10.00 C ATOM 847 C PHE A 55 -0.252 -6.815 2.683 1.00 10.00 C ATOM 848 O PHE A 55 -0.128 -5.762 3.308 1.00 50.00 O ATOM 849 CB PHE A 55 2.051 -7.789 2.600 1.00 50.00 C ATOM 850 CG PHE A 55 1.679 -8.723 3.715 1.00 50.00 C ATOM 851 CD1 PHE A 55 1.271 -10.022 3.447 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.736 -8.306 5.038 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.929 -10.882 4.473 1.00 50.00 C ATOM 854 CE2 PHE A 55 1.395 -9.163 6.065 1.00 50.00 C ATOM 855 CZ PHE A 55 0.990 -10.453 5.781 1.00 50.00 C ATOM 0 H PHE A 55 1.763 -5.495 1.254 1.00 10.00 H new ATOM 0 HA PHE A 55 0.475 -8.157 1.191 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.765 -8.287 1.944 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.557 -6.920 3.020 1.00 50.00 H new ATOM 0 HD1 PHE A 55 1.220 -10.365 2.424 1.00 50.00 H new ATOM 0 HD2 PHE A 55 2.051 -7.299 5.267 1.00 50.00 H new ATOM 0 HE1 PHE A 55 0.614 -11.891 4.250 1.00 50.00 H new ATOM 0 HE2 PHE A 55 1.445 -8.825 7.090 1.00 50.00 H new ATOM 0 HZ PHE A 55 0.722 -11.124 6.583 1.00 50.00 H new ATOM 865 N HIS A 56 -1.339 -7.576 2.757 1.00 10.00 N ATOM 866 CA HIS A 56 -2.467 -7.220 3.608 1.00 10.00 C ATOM 867 C HIS A 56 -2.575 -8.156 4.804 1.00 10.00 C ATOM 868 O HIS A 56 -2.364 -9.362 4.681 1.00 50.00 O ATOM 869 CB HIS A 56 -3.774 -7.240 2.809 1.00 50.00 C ATOM 870 CG HIS A 56 -5.003 -7.148 3.660 1.00 50.00 C ATOM 871 ND1 HIS A 56 -5.766 -8.250 3.987 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.600 -6.087 4.253 1.00 50.00 C ATOM 873 CE1 HIS A 56 -6.780 -7.871 4.744 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.702 -6.563 4.920 1.00 50.00 N ATOM 0 H HIS A 56 -1.462 -8.445 2.237 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.293 -6.210 3.979 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.770 -6.410 2.102 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -3.817 -8.158 2.223 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -5.577 -9.207 3.691 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.271 -5.059 4.210 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -7.543 -8.519 5.150 1.00 50.00 H new ATOM 882 N VAL A 57 -2.904 -7.594 5.962 1.00 10.00 N ATOM 883 CA VAL A 57 -3.097 -8.386 7.170 1.00 10.00 C ATOM 884 C VAL A 57 -3.979 -7.653 8.173 1.00 10.00 C ATOM 885 O VAL A 57 -3.924 -6.429 8.285 1.00 50.00 O ATOM 886 CB VAL A 57 -1.754 -8.733 7.840 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.043 -7.468 8.298 1.00 50.00 C ATOM 888 CG2 VAL A 57 -1.972 -9.675 9.014 1.00 50.00 C ATOM 0 H VAL A 57 -3.043 -6.591 6.089 1.00 10.00 H new ATOM 0 HA VAL A 57 -3.589 -9.310 6.865 1.00 10.00 H new ATOM 0 HB VAL A 57 -1.124 -9.236 7.106 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.096 -7.733 8.769 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -0.853 -6.826 7.438 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -1.669 -6.938 9.016 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -1.013 -9.909 9.475 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -2.621 -9.197 9.748 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -2.439 -10.594 8.661 1.00 50.00 H new ATOM 898 N MET A 58 -4.790 -8.411 8.905 1.00 10.00 N ATOM 899 CA MET A 58 -5.754 -7.829 9.831 1.00 10.00 C ATOM 900 C MET A 58 -6.663 -6.830 9.124 1.00 10.00 C ATOM 901 O MET A 58 -7.567 -7.215 8.383 1.00 50.00 O ATOM 902 CB MET A 58 -5.029 -7.152 10.992 1.00 50.00 C ATOM 903 CG MET A 58 -5.943 -6.654 12.102 1.00 50.00 C ATOM 904 SD MET A 58 -5.044 -5.817 13.422 1.00 75.00 S ATOM 905 CE MET A 58 -4.196 -7.200 14.181 1.00 75.00 C ATOM 0 H MET A 58 -4.798 -9.431 8.874 1.00 10.00 H new ATOM 0 HA MET A 58 -6.376 -8.635 10.221 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.313 -7.856 11.416 1.00 50.00 H new ATOM 0 HB3 MET A 58 -4.456 -6.309 10.604 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.680 -5.971 11.681 1.00 50.00 H new ATOM 0 HG3 MET A 58 -6.492 -7.497 12.520 1.00 50.00 H new ATOM 0 HE1 MET A 58 -3.801 -6.897 15.151 1.00 75.00 H new ATOM 0 HE2 MET A 58 -4.895 -8.026 14.316 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.376 -7.520 13.539 1.00 75.00 H new ATOM 915 N ASP A 59 -6.418 -5.545 9.359 1.00 10.00 N ATOM 916 CA ASP A 59 -7.229 -4.489 8.765 1.00 10.00 C ATOM 917 C ASP A 59 -6.373 -3.298 8.358 1.00 10.00 C ATOM 918 O ASP A 59 -6.816 -2.152 8.425 1.00 50.00 O ATOM 919 CB ASP A 59 -8.322 -4.043 9.740 1.00 50.00 C ATOM 920 CG ASP A 59 -7.800 -3.444 11.039 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.605 -3.355 11.191 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.592 -2.939 11.798 1.00 50.00 O ATOM 0 H ASP A 59 -5.663 -5.210 9.958 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.697 -4.893 7.867 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.956 -3.308 9.244 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.952 -4.900 9.977 1.00 50.00 H new ATOM 927 N PHE A 60 -5.144 -3.576 7.935 1.00 10.00 N ATOM 928 CA PHE A 60 -4.241 -2.532 7.465 1.00 10.00 C ATOM 929 C PHE A 60 -3.358 -3.036 6.332 1.00 10.00 C ATOM 930 O PHE A 60 -3.254 -4.242 6.103 1.00 50.00 O ATOM 931 CB PHE A 60 -3.375 -2.017 8.618 1.00 50.00 C ATOM 932 CG PHE A 60 -2.426 -3.044 9.168 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.156 -3.193 8.630 1.00 50.00 C ATOM 934 CD2 PHE A 60 -2.800 -3.860 10.222 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.282 -4.137 9.135 1.00 50.00 C ATOM 936 CE2 PHE A 60 -1.928 -4.804 10.731 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.667 -4.942 10.186 1.00 50.00 C ATOM 0 H PHE A 60 -4.750 -4.517 7.908 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.849 -1.712 7.083 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.804 -1.155 8.274 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -4.025 -1.669 9.421 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.847 -2.565 7.808 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.785 -3.758 10.652 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.703 -4.244 8.706 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.233 -5.433 11.554 1.00 50.00 H new ATOM 0 HZ PHE A 60 0.016 -5.679 10.582 1.00 50.00 H new ATOM 947 N ILE A 61 -2.725 -2.108 5.624 1.00 10.00 N ATOM 948 CA ILE A 61 -1.975 -2.441 4.419 1.00 10.00 C ATOM 949 C ILE A 61 -0.482 -2.207 4.616 1.00 10.00 C ATOM 950 O ILE A 61 -0.072 -1.177 5.150 1.00 50.00 O ATOM 951 CB ILE A 61 -2.458 -1.622 3.208 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.953 -1.852 2.971 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.657 -1.983 1.967 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.294 -3.258 2.532 1.00 50.00 C ATOM 0 H ILE A 61 -2.716 -1.117 5.864 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.150 -3.499 4.223 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.302 -0.564 3.420 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.495 -1.627 3.889 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.303 -1.150 2.214 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.012 -1.395 1.121 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.602 -1.770 2.140 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.782 -3.044 1.749 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.371 -3.342 2.385 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -3.781 -3.482 1.597 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -3.976 -3.965 3.298 1.00 50.00 H new ATOM 966 N SER A 62 0.323 -3.169 4.181 1.00 10.00 N ATOM 967 CA SER A 62 1.769 -2.987 4.119 1.00 10.00 C ATOM 968 C SER A 62 2.245 -2.843 2.678 1.00 10.00 C ATOM 969 O SER A 62 2.243 -3.809 1.914 1.00 50.00 O ATOM 970 CB SER A 62 2.472 -4.149 4.793 1.00 50.00 C ATOM 971 OG SER A 62 3.865 -4.056 4.688 1.00 50.00 O ATOM 0 H SER A 62 -0.001 -4.083 3.866 1.00 10.00 H new ATOM 0 HA SER A 62 2.018 -2.067 4.648 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.190 -4.181 5.845 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.137 -5.084 4.344 1.00 50.00 H new ATOM 0 HG SER A 62 4.279 -4.823 5.136 1.00 50.00 H new ATOM 977 N VAL A 63 2.651 -1.633 2.313 1.00 10.00 N ATOM 978 CA VAL A 63 3.052 -1.340 0.942 1.00 10.00 C ATOM 979 C VAL A 63 4.568 -1.307 0.807 1.00 10.00 C ATOM 980 O VAL A 63 5.238 -0.478 1.422 1.00 50.00 O ATOM 981 CB VAL A 63 2.472 0.001 0.458 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.934 0.300 -0.960 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.955 -0.017 0.530 1.00 50.00 C ATOM 0 H VAL A 63 2.711 -0.837 2.948 1.00 10.00 H new ATOM 0 HA VAL A 63 2.654 -2.142 0.320 1.00 10.00 H new ATOM 0 HB VAL A 63 2.838 0.791 1.114 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.515 1.252 -1.286 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.022 0.356 -0.984 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.597 -0.493 -1.627 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.563 0.939 0.184 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.570 -0.817 -0.102 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.642 -0.186 1.560 1.00 50.00 H new ATOM 993 N ASP A 64 5.105 -2.214 -0.003 1.00 10.00 N ATOM 994 CA ASP A 64 6.549 -2.336 -0.165 1.00 10.00 C ATOM 995 C ASP A 64 7.004 -1.766 -1.502 1.00 10.00 C ATOM 996 O ASP A 64 6.583 -2.230 -2.562 1.00 50.00 O ATOM 997 CB ASP A 64 6.980 -3.800 -0.044 1.00 50.00 C ATOM 998 CG ASP A 64 8.485 -4.020 -0.107 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.199 -3.060 -0.275 1.00 50.00 O ATOM 1000 OD2 ASP A 64 8.916 -5.114 0.168 1.00 50.00 O ATOM 0 H ASP A 64 4.561 -2.875 -0.557 1.00 10.00 H new ATOM 0 HA ASP A 64 7.023 -1.760 0.630 1.00 10.00 H new ATOM 0 HB2 ASP A 64 6.606 -4.199 0.899 1.00 50.00 H new ATOM 0 HB3 ASP A 64 6.508 -4.372 -0.842 1.00 50.00 H new ATOM 1005 N LYS A 65 7.866 -0.757 -1.446 1.00 10.00 N ATOM 1006 CA LYS A 65 8.302 -0.054 -2.647 1.00 10.00 C ATOM 1007 C LYS A 65 9.668 -0.546 -3.109 1.00 10.00 C ATOM 1008 O LYS A 65 10.261 -1.428 -2.490 1.00 50.00 O ATOM 1009 CB LYS A 65 8.341 1.454 -2.402 1.00 50.00 C ATOM 1010 CG LYS A 65 9.372 1.896 -1.370 1.00 50.00 C ATOM 1011 CD LYS A 65 9.650 3.388 -1.471 1.00 50.00 C ATOM 1012 CE LYS A 65 10.733 3.817 -0.491 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.038 3.163 -0.781 1.00 50.00 N ATOM 0 H LYS A 65 8.277 -0.407 -0.581 1.00 10.00 H new ATOM 0 HA LYS A 65 7.580 -0.265 -3.436 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.550 1.958 -3.346 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.354 1.783 -2.076 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.013 1.658 -0.369 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.298 1.340 -1.517 1.00 50.00 H new ATOM 0 HD2 LYS A 65 9.958 3.635 -2.487 1.00 50.00 H new ATOM 0 HD3 LYS A 65 8.735 3.945 -1.271 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.853 4.900 -0.534 1.00 50.00 H new ATOM 0 HE3 LYS A 65 10.422 3.571 0.524 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 12.418 2.744 0.092 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 11.902 2.417 -1.492 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.707 3.871 -1.145 1.00 50.00 H new ATOM 1027 N GLU A 66 10.162 0.031 -4.199 1.00 10.00 N ATOM 1028 CA GLU A 66 11.543 -0.176 -4.617 1.00 10.00 C ATOM 1029 C GLU A 66 12.513 0.549 -3.693 1.00 10.00 C ATOM 1030 O GLU A 66 12.261 1.680 -3.278 1.00 50.00 O ATOM 1031 CB GLU A 66 11.742 0.288 -6.060 1.00 50.00 C ATOM 1032 CG GLU A 66 13.132 0.023 -6.621 1.00 50.00 C ATOM 1033 CD GLU A 66 13.218 0.405 -8.073 1.00 50.00 C ATOM 1034 OE1 GLU A 66 12.239 0.876 -8.602 1.00 50.00 O ATOM 1035 OE2 GLU A 66 14.292 0.333 -8.622 1.00 50.00 O ATOM 0 H GLU A 66 9.625 0.647 -4.810 1.00 10.00 H new ATOM 0 HA GLU A 66 11.752 -1.244 -4.558 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.007 -0.209 -6.693 1.00 50.00 H new ATOM 0 HB3 GLU A 66 11.539 1.357 -6.116 1.00 50.00 H new ATOM 0 HG2 GLU A 66 13.870 0.587 -6.050 1.00 50.00 H new ATOM 0 HG3 GLU A 66 13.378 -1.033 -6.505 1.00 50.00 H new ATOM 1042 N ASN A 67 13.624 -0.106 -3.375 1.00 10.00 N ATOM 1043 CA ASN A 67 14.628 0.469 -2.490 1.00 10.00 C ATOM 1044 C ASN A 67 15.192 1.761 -3.066 1.00 10.00 C ATOM 1045 O ASN A 67 15.418 2.730 -2.340 1.00 50.00 O ATOM 1046 CB ASN A 67 15.749 -0.512 -2.207 1.00 50.00 C ATOM 1047 CG ASN A 67 16.835 0.043 -1.329 1.00 50.00 C ATOM 1048 OD1 ASN A 67 17.958 0.294 -1.780 1.00 50.00 O ATOM 1049 ND2 ASN A 67 16.531 0.161 -0.061 1.00 50.00 N ATOM 0 H ASN A 67 13.852 -1.039 -3.719 1.00 10.00 H new ATOM 0 HA ASN A 67 14.132 0.697 -1.547 1.00 10.00 H new ATOM 0 HB2 ASN A 67 15.331 -1.400 -1.734 1.00 50.00 H new ATOM 0 HB3 ASN A 67 16.187 -0.831 -3.153 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.237 0.473 0.606 1.00 50.00 H new ATOM 0 HD22 ASN A 67 15.588 -0.059 0.260 1.00 50.00 H new ATOM 1056 N ASP A 68 15.420 1.770 -4.375 1.00 10.00 N ATOM 1057 CA ASP A 68 15.918 2.957 -5.058 1.00 10.00 C ATOM 1058 C ASP A 68 14.894 4.085 -5.021 1.00 10.00 C ATOM 1059 O ASP A 68 15.243 5.246 -4.810 1.00 50.00 O ATOM 1060 CB ASP A 68 16.284 2.629 -6.508 1.00 50.00 C ATOM 1061 CG ASP A 68 17.553 1.801 -6.663 1.00 50.00 C ATOM 1062 OD1 ASP A 68 18.281 1.680 -5.706 1.00 50.00 O ATOM 1063 OD2 ASP A 68 17.706 1.171 -7.682 1.00 50.00 O ATOM 0 H ASP A 68 15.267 0.967 -4.985 1.00 10.00 H new ATOM 0 HA ASP A 68 16.813 3.291 -4.533 1.00 10.00 H new ATOM 0 HB2 ASP A 68 15.455 2.091 -6.967 1.00 50.00 H new ATOM 0 HB3 ASP A 68 16.403 3.561 -7.060 1.00 50.00 H new ATOM 1068 N ALA A 69 13.629 3.736 -5.226 1.00 10.00 N ATOM 1069 CA ALA A 69 12.547 4.713 -5.184 1.00 10.00 C ATOM 1070 C ALA A 69 12.425 5.336 -3.800 1.00 10.00 C ATOM 1071 O ALA A 69 12.928 4.794 -2.816 1.00 50.00 O ATOM 1072 CB ALA A 69 11.232 4.065 -5.595 1.00 50.00 C ATOM 0 H ALA A 69 13.327 2.782 -5.423 1.00 10.00 H new ATOM 0 HA ALA A 69 12.781 5.509 -5.891 1.00 10.00 H new ATOM 0 HB1 ALA A 69 10.434 4.807 -5.559 1.00 50.00 H new ATOM 0 HB2 ALA A 69 11.320 3.676 -6.609 1.00 50.00 H new ATOM 0 HB3 ALA A 69 11.000 3.248 -4.912 1.00 50.00 H new ATOM 1078 N ASN A 70 11.752 6.479 -3.730 1.00 10.00 N ATOM 1079 CA ASN A 70 11.560 7.180 -2.465 1.00 10.00 C ATOM 1080 C ASN A 70 10.081 7.308 -2.126 1.00 10.00 C ATOM 1081 O ASN A 70 9.228 7.315 -3.013 1.00 50.00 O ATOM 1082 CB ASN A 70 12.214 8.550 -2.485 1.00 50.00 C ATOM 1083 CG ASN A 70 13.704 8.506 -2.677 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.450 8.036 -1.809 1.00 50.00 O ATOM 1085 ND2 ASN A 70 14.149 9.066 -3.773 1.00 50.00 N ATOM 0 H ASN A 70 11.330 6.941 -4.535 1.00 10.00 H new ATOM 0 HA ASN A 70 12.042 6.584 -1.690 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.771 9.143 -3.285 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.992 9.062 -1.549 1.00 50.00 H new ATOM 0 HD21 ASN A 70 15.153 9.130 -3.942 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.492 9.439 -4.458 1.00 50.00 H new ATOM 1092 N TRP A 71 9.782 7.410 -0.834 1.00 10.00 N ATOM 1093 CA TRP A 71 8.415 7.630 -0.380 1.00 10.00 C ATOM 1094 C TRP A 71 7.930 9.027 -0.745 1.00 10.00 C ATOM 1095 O TRP A 71 6.726 9.280 -0.808 1.00 50.00 O ATOM 1096 CB TRP A 71 8.315 7.418 1.131 1.00 50.00 C ATOM 1097 CG TRP A 71 8.291 5.975 1.534 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.208 5.329 2.309 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.304 4.998 1.181 1.00 50.00 C ATOM 1100 NE1 TRP A 71 8.854 4.011 2.461 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.686 3.784 1.779 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.130 5.035 0.419 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 6.945 2.621 1.637 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.387 3.870 0.278 1.00 50.00 C ATOM 1105 CH2 TRP A 71 5.782 2.697 0.871 1.00 50.00 C ATOM 0 H TRP A 71 10.470 7.344 -0.084 1.00 10.00 H new ATOM 0 HA TRP A 71 7.775 6.906 -0.884 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.160 7.908 1.615 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.411 7.904 1.499 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.085 5.787 2.741 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.375 3.315 2.994 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.808 5.953 -0.051 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.255 1.696 2.100 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.481 3.888 -0.310 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.178 1.811 0.741 1.00 50.00 H new ATOM 1116 N GLU A 72 8.873 9.931 -0.983 1.00 10.00 N ATOM 1117 CA GLU A 72 8.547 11.280 -1.429 1.00 10.00 C ATOM 1118 C GLU A 72 7.731 11.253 -2.715 1.00 10.00 C ATOM 1119 O GLU A 72 6.842 12.079 -2.915 1.00 50.00 O ATOM 1120 CB GLU A 72 9.822 12.102 -1.631 1.00 50.00 C ATOM 1121 CG GLU A 72 10.544 12.469 -0.343 1.00 50.00 C ATOM 1122 CD GLU A 72 11.835 13.186 -0.626 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.173 13.329 -1.777 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.426 13.689 0.299 1.00 75.00 O ATOM 0 H GLU A 72 9.872 9.754 -0.874 1.00 10.00 H new ATOM 0 HA GLU A 72 7.943 11.750 -0.653 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.505 11.540 -2.268 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.568 13.018 -2.165 1.00 50.00 H new ATOM 0 HG2 GLU A 72 9.901 13.101 0.269 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.746 11.566 0.233 1.00 50.00 H new ATOM 1131 N THR A 73 8.041 10.297 -3.585 1.00 10.00 N ATOM 1132 CA THR A 73 7.266 10.089 -4.803 1.00 10.00 C ATOM 1133 C THR A 73 6.073 9.177 -4.546 1.00 10.00 C ATOM 1134 O THR A 73 4.942 9.502 -4.908 1.00 50.00 O ATOM 1135 CB THR A 73 8.129 9.485 -5.926 1.00 50.00 C ATOM 1136 OG1 THR A 73 9.197 10.385 -6.248 1.00 50.00 O ATOM 1137 CG2 THR A 73 7.288 9.235 -7.168 1.00 50.00 C ATOM 0 H THR A 73 8.824 9.654 -3.469 1.00 10.00 H new ATOM 0 HA THR A 73 6.909 11.069 -5.120 1.00 10.00 H new ATOM 0 HB THR A 73 8.538 8.536 -5.580 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.746 9.999 -6.962 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.914 8.808 -7.951 1.00 50.00 H new ATOM 0 HG22 THR A 73 6.483 8.541 -6.928 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.864 10.177 -7.516 1.00 50.00 H new ATOM 1145 N VAL A 74 6.332 8.034 -3.921 1.00 10.00 N ATOM 1146 CA VAL A 74 5.350 6.958 -3.856 1.00 10.00 C ATOM 1147 C VAL A 74 4.171 7.340 -2.972 1.00 10.00 C ATOM 1148 O VAL A 74 3.013 7.207 -3.373 1.00 50.00 O ATOM 1149 CB VAL A 74 5.977 5.653 -3.325 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.903 4.599 -3.105 1.00 50.00 C ATOM 1151 CG2 VAL A 74 7.035 5.140 -4.289 1.00 50.00 C ATOM 0 H VAL A 74 7.214 7.829 -3.452 1.00 10.00 H new ATOM 0 HA VAL A 74 4.997 6.793 -4.874 1.00 10.00 H new ATOM 0 HB VAL A 74 6.455 5.864 -2.369 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.362 3.684 -2.730 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.178 4.965 -2.378 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.398 4.391 -4.049 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.467 4.219 -3.898 1.00 50.00 H new ATOM 0 HG22 VAL A 74 6.579 4.944 -5.259 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.819 5.889 -4.401 1.00 50.00 H new ATOM 1161 N LEU A 75 4.469 7.813 -1.767 1.00 10.00 N ATOM 1162 CA LEU A 75 3.484 7.853 -0.693 1.00 10.00 C ATOM 1163 C LEU A 75 2.329 8.783 -1.040 1.00 50.00 C ATOM 1164 O LEU A 75 1.164 8.431 -0.862 1.00 50.00 O ATOM 1165 CB LEU A 75 4.148 8.291 0.618 1.00 50.00 C ATOM 1166 CG LEU A 75 3.204 8.403 1.821 1.00 50.00 C ATOM 1167 CD1 LEU A 75 2.525 7.065 2.078 1.00 50.00 C ATOM 1168 CD2 LEU A 75 3.989 8.852 3.044 1.00 50.00 C ATOM 0 H LEU A 75 5.387 8.175 -1.509 1.00 10.00 H new ATOM 0 HA LEU A 75 3.079 6.849 -0.566 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.939 7.581 0.861 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.626 9.258 0.460 1.00 50.00 H new ATOM 0 HG LEU A 75 2.432 9.143 1.609 1.00 50.00 H new ATOM 0 HD11 LEU A 75 1.857 7.155 2.934 1.00 50.00 H new ATOM 0 HD12 LEU A 75 1.951 6.773 1.199 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.281 6.307 2.285 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.317 8.931 3.899 1.00 50.00 H new ATOM 0 HD22 LEU A 75 4.770 8.124 3.263 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.443 9.823 2.848 1.00 50.00 H new ATOM 1180 N PRO A 76 2.660 9.970 -1.534 1.00 50.00 N ATOM 1181 CA PRO A 76 1.651 10.934 -1.956 1.00 50.00 C ATOM 1182 C PRO A 76 0.610 10.280 -2.856 1.00 50.00 C ATOM 1183 O PRO A 76 -0.591 10.507 -2.700 1.00 50.00 O ATOM 1184 CB PRO A 76 2.448 12.017 -2.689 1.00 50.00 C ATOM 1185 CG PRO A 76 3.781 12.008 -2.026 1.00 50.00 C ATOM 1186 CD PRO A 76 4.067 10.561 -1.722 1.00 50.00 C ATOM 0 HA PRO A 76 1.084 11.345 -1.121 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.532 11.797 -3.753 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.967 12.991 -2.602 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.546 12.431 -2.677 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.771 12.606 -1.115 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.605 10.075 -2.536 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.676 10.448 -0.825 1.00 50.00 H new ATOM 1194 N LYS A 77 1.075 9.468 -3.799 1.00 50.00 N ATOM 1195 CA LYS A 77 0.189 8.817 -4.756 1.00 50.00 C ATOM 1196 C LYS A 77 -0.641 7.729 -4.086 1.00 50.00 C ATOM 1197 O LYS A 77 -1.850 7.640 -4.296 1.00 50.00 O ATOM 1198 CB LYS A 77 0.994 8.225 -5.915 1.00 50.00 C ATOM 1199 CG LYS A 77 1.630 9.262 -6.834 1.00 50.00 C ATOM 1200 CD LYS A 77 2.428 8.598 -7.944 1.00 50.00 C ATOM 1201 CE LYS A 77 3.079 9.633 -8.850 1.00 50.00 C ATOM 1202 NZ LYS A 77 3.851 8.999 -9.954 1.00 50.00 N ATOM 0 H LYS A 77 2.063 9.245 -3.921 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.492 9.573 -5.148 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.779 7.588 -5.508 1.00 50.00 H new ATOM 0 HB3 LYS A 77 0.339 7.585 -6.507 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.854 9.892 -7.268 1.00 50.00 H new ATOM 0 HG3 LYS A 77 2.283 9.914 -6.254 1.00 50.00 H new ATOM 0 HD2 LYS A 77 3.195 7.957 -7.510 1.00 50.00 H new ATOM 0 HD3 LYS A 77 1.772 7.957 -8.533 1.00 50.00 H new ATOM 0 HE2 LYS A 77 2.311 10.282 -9.271 1.00 50.00 H new ATOM 0 HE3 LYS A 77 3.742 10.266 -8.260 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 4.278 9.738 -10.548 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 4.601 8.400 -9.554 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 3.214 8.415 -10.533 1.00 50.00 H new ATOM 1216 N VAL A 78 0.017 6.903 -3.278 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.665 5.839 -2.552 1.00 50.00 C ATOM 1218 C VAL A 78 -1.723 6.403 -1.612 1.00 50.00 C ATOM 1219 O VAL A 78 -2.863 5.940 -1.597 1.00 50.00 O ATOM 1220 CB VAL A 78 0.327 4.985 -1.738 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.421 3.989 -0.866 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.290 4.261 -2.666 1.00 50.00 C ATOM 0 H VAL A 78 1.022 6.951 -3.110 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.147 5.208 -3.299 1.00 50.00 H new ATOM 0 HB VAL A 78 0.903 5.646 -1.091 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.294 3.394 -0.298 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.074 4.526 -0.178 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.020 3.332 -1.496 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.984 3.663 -2.075 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.729 3.610 -3.337 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.849 4.991 -3.252 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.339 7.405 -0.831 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.278 8.099 0.044 1.00 50.00 C ATOM 1234 C GLU A 79 -3.471 8.630 -0.741 1.00 50.00 C ATOM 1235 O GLU A 79 -4.614 8.528 -0.296 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.580 9.246 0.776 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.477 10.022 1.730 1.00 50.00 C ATOM 1238 CD GLU A 79 -1.718 11.112 2.432 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.539 11.235 2.195 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.334 11.893 3.117 1.00 50.00 O ATOM 0 H GLU A 79 -0.383 7.756 -0.785 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.644 7.381 0.778 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.737 8.843 1.337 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.172 9.937 0.038 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.310 10.455 1.177 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -2.903 9.341 2.467 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.199 9.197 -1.912 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.248 9.757 -2.755 1.00 50.00 C ATOM 1249 C ALA A 80 -5.314 8.716 -3.072 1.00 50.00 C ATOM 1250 O ALA A 80 -6.506 9.024 -3.105 1.00 50.00 O ATOM 1251 CB ALA A 80 -3.654 10.320 -4.038 1.00 50.00 C ATOM 0 H ALA A 80 -2.259 9.281 -2.299 1.00 50.00 H new ATOM 0 HA ALA A 80 -4.725 10.568 -2.205 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.450 10.734 -4.656 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -2.938 11.105 -3.794 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.147 9.524 -4.584 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.879 7.482 -3.305 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.789 6.408 -3.683 1.00 50.00 C ATOM 1259 C VAL A 81 -6.925 6.269 -2.678 1.00 50.00 C ATOM 1260 O VAL A 81 -8.093 6.174 -3.056 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.054 5.060 -3.800 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.050 3.922 -3.963 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.079 5.085 -4.969 1.00 50.00 C ATOM 0 H VAL A 81 -3.901 7.201 -3.238 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.200 6.673 -4.657 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.489 4.895 -2.882 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.513 2.977 -4.044 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.711 3.890 -3.097 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.641 4.082 -4.865 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.568 4.125 -5.037 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.625 5.272 -5.894 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.345 5.876 -4.814 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.577 6.258 -1.396 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.563 6.089 -0.337 1.00 50.00 C ATOM 1275 C PHE A 82 -8.459 7.316 -0.216 1.00 50.00 C ATOM 1276 O PHE A 82 -9.529 7.258 0.389 1.00 50.00 O ATOM 1277 CB PHE A 82 -6.870 5.812 0.998 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.063 4.545 1.010 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.683 3.311 1.138 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.681 4.584 0.891 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.942 2.145 1.150 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.938 3.419 0.902 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.567 2.199 1.031 1.00 50.00 C ATOM 0 H PHE A 82 -5.618 6.364 -1.065 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.189 5.235 -0.597 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.216 6.650 1.238 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.623 5.760 1.784 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.758 3.261 1.229 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.181 5.536 0.789 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.438 1.191 1.252 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.863 3.464 0.809 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.986 1.288 1.039 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.014 8.426 -0.796 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.790 9.660 -0.784 1.00 50.00 C ATOM 1295 C GLU A 83 -9.759 9.712 -1.958 1.00 50.00 C ATOM 1296 O GLU A 83 -10.520 10.669 -2.106 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.862 10.876 -0.813 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.007 11.045 0.435 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.085 12.226 0.311 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.102 12.862 -0.715 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -5.449 12.561 1.280 1.00 75.00 O ATOM 0 H GLU A 83 -7.119 8.496 -1.281 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.371 9.680 0.138 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.206 10.796 -1.680 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.464 11.774 -0.950 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.651 11.174 1.305 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.422 10.141 0.603 1.00 50.00 H new