USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 854 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 95 TYR OH : rot -162:sc= 0.317 USER MOD Set 2.1: A 46 THR OG1 : rot 170:sc= 0.11 USER MOD Set 2.2: A 56 GLN : amide:sc= 0.202 X(o=0.31,f=-0.08) USER MOD Single : A 3 LYS NZ :NH3+ 156:sc= 0.172 (180deg=0.0493) USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= -1.62! (180deg=-3.83!) USER MOD Single : A 7 HIS : no HD1:sc=-0.00267 X(o=-0.0027,f=-0.27) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 13 ASN : amide:sc= 0.173 X(o=0.17,f=-0.12) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.911 K(o=-0.91,f=-4.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -76:sc= 0.982 USER MOD Single : A 26 THR OG1 : rot 2:sc= 0.194 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0544 (180deg=-0.295) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 160:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.748 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-0.98) USER MOD Single : A 81 TYR OH : rot -154:sc= 0.338 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0.232 (180deg=0.232) USER MOD Single : A 86 MET CE :methyl -152:sc= -1.34 (180deg=-2.69!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.198 F(o=-2.9!,f=-0.2) USER MOD Single : A 92 THR OG1 : rot -89:sc= 0.298 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 13:sc= 0.0689 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= -0.0191 (180deg=-0.121) USER MOD Single : A 117 SER OG : rot 95:sc= 0.348 USER MOD Single : A 118 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -0.825 19.262 -3.282 1.00 11.22 N ATOM 43 CA LYS A 3 -1.388 18.301 -2.308 1.00 12.14 C ATOM 44 C LYS A 3 -0.559 18.189 -1.007 1.00 43.50 C ATOM 45 O LYS A 3 0.658 18.386 -1.008 1.00 23.24 O ATOM 46 CB LYS A 3 -1.520 16.907 -2.988 1.00 53.43 C ATOM 47 CG LYS A 3 -2.363 16.936 -4.288 1.00 13.35 C ATOM 48 CD LYS A 3 -2.897 15.553 -4.737 1.00 31.11 C ATOM 49 CE LYS A 3 -1.814 14.624 -5.312 1.00 63.50 C ATOM 50 NZ LYS A 3 -2.383 13.312 -5.720 1.00 43.23 N ATOM 0 HA LYS A 3 -2.367 18.676 -2.009 1.00 12.14 H new ATOM 0 HB2 LYS A 3 -0.525 16.527 -3.217 1.00 53.43 H new ATOM 0 HB3 LYS A 3 -1.974 16.209 -2.285 1.00 53.43 H new ATOM 0 HG2 LYS A 3 -3.209 17.608 -4.143 1.00 13.35 H new ATOM 0 HG3 LYS A 3 -1.756 17.355 -5.091 1.00 13.35 H new ATOM 0 HD2 LYS A 3 -3.368 15.062 -3.885 1.00 31.11 H new ATOM 0 HD3 LYS A 3 -3.672 15.700 -5.489 1.00 31.11 H new ATOM 0 HE2 LYS A 3 -1.343 15.101 -6.172 1.00 63.50 H new ATOM 0 HE3 LYS A 3 -1.034 14.468 -4.567 1.00 63.50 H new ATOM 0 HZ1 LYS A 3 -1.774 12.879 -6.443 1.00 43.23 H new ATOM 0 HZ2 LYS A 3 -2.437 12.685 -4.892 1.00 43.23 H new ATOM 0 HZ3 LYS A 3 -3.337 13.453 -6.110 1.00 43.23 H new ATOM 64 N GLU A 4 -1.252 17.858 0.098 1.00 44.42 N ATOM 65 CA GLU A 4 -0.641 17.644 1.429 1.00 72.30 C ATOM 66 C GLU A 4 -0.438 16.137 1.707 1.00 30.24 C ATOM 67 O GLU A 4 -1.277 15.315 1.348 1.00 73.23 O ATOM 68 CB GLU A 4 -1.558 18.254 2.524 1.00 50.22 C ATOM 69 CG GLU A 4 -1.065 18.070 3.978 1.00 32.52 C ATOM 70 CD GLU A 4 -2.069 18.602 5.016 1.00 62.52 C ATOM 71 OE1 GLU A 4 -2.017 19.804 5.353 1.00 12.22 O ATOM 72 OE2 GLU A 4 -2.936 17.823 5.476 1.00 41.13 O ATOM 0 H GLU A 4 -2.264 17.729 0.095 1.00 44.42 H new ATOM 0 HA GLU A 4 0.333 18.133 1.445 1.00 72.30 H new ATOM 0 HB2 GLU A 4 -1.670 19.320 2.328 1.00 50.22 H new ATOM 0 HB3 GLU A 4 -2.549 17.808 2.435 1.00 50.22 H new ATOM 0 HG2 GLU A 4 -0.882 17.012 4.164 1.00 32.52 H new ATOM 0 HG3 GLU A 4 -0.112 18.585 4.102 1.00 32.52 H new ATOM 79 N LYS A 5 0.672 15.800 2.378 1.00 61.10 N ATOM 80 CA LYS A 5 0.973 14.425 2.813 1.00 64.43 C ATOM 81 C LYS A 5 0.032 13.980 3.970 1.00 50.34 C ATOM 82 O LYS A 5 -0.207 14.742 4.914 1.00 22.01 O ATOM 83 CB LYS A 5 2.442 14.355 3.287 1.00 4.21 C ATOM 84 CG LYS A 5 2.907 12.959 3.754 1.00 51.24 C ATOM 85 CD LYS A 5 4.262 12.971 4.508 1.00 74.14 C ATOM 86 CE LYS A 5 4.199 13.649 5.903 1.00 3.34 C ATOM 87 NZ LYS A 5 4.059 15.132 5.856 1.00 73.40 N ATOM 0 H LYS A 5 1.391 16.475 2.637 1.00 61.10 H new ATOM 0 HA LYS A 5 0.815 13.753 1.970 1.00 64.43 H new ATOM 0 HB2 LYS A 5 3.088 14.684 2.473 1.00 4.21 H new ATOM 0 HB3 LYS A 5 2.578 15.061 4.106 1.00 4.21 H new ATOM 0 HG2 LYS A 5 2.144 12.531 4.404 1.00 51.24 H new ATOM 0 HG3 LYS A 5 2.990 12.305 2.886 1.00 51.24 H new ATOM 0 HD2 LYS A 5 4.609 11.945 4.629 1.00 74.14 H new ATOM 0 HD3 LYS A 5 5.002 13.487 3.897 1.00 74.14 H new ATOM 0 HE2 LYS A 5 3.358 13.233 6.459 1.00 3.34 H new ATOM 0 HE3 LYS A 5 5.103 13.398 6.458 1.00 3.34 H new ATOM 0 HZ1 LYS A 5 4.626 15.558 6.617 1.00 73.40 H new ATOM 0 HZ2 LYS A 5 4.394 15.483 4.936 1.00 73.40 H new ATOM 0 HZ3 LYS A 5 3.060 15.391 5.982 1.00 73.40 H new ATOM 101 N ILE A 6 -0.464 12.731 3.896 1.00 72.00 N ATOM 102 CA ILE A 6 -1.353 12.118 4.917 1.00 13.25 C ATOM 103 C ILE A 6 -0.955 10.628 5.117 1.00 11.45 C ATOM 104 O ILE A 6 -0.620 9.933 4.149 1.00 15.43 O ATOM 105 CB ILE A 6 -2.896 12.219 4.530 1.00 70.42 C ATOM 106 CG1 ILE A 6 -3.232 11.350 3.270 1.00 32.11 C ATOM 107 CG2 ILE A 6 -3.341 13.695 4.313 1.00 24.15 C ATOM 108 CD1 ILE A 6 -4.664 11.462 2.770 1.00 63.04 C ATOM 0 H ILE A 6 -0.259 12.105 3.117 1.00 72.00 H new ATOM 0 HA ILE A 6 -1.221 12.676 5.844 1.00 13.25 H new ATOM 0 HB ILE A 6 -3.459 11.821 5.374 1.00 70.42 H new ATOM 0 HG12 ILE A 6 -2.558 11.635 2.462 1.00 32.11 H new ATOM 0 HG13 ILE A 6 -3.026 10.305 3.503 1.00 32.11 H new ATOM 0 HG21 ILE A 6 -4.399 13.721 4.051 1.00 24.15 H new ATOM 0 HG22 ILE A 6 -3.180 14.262 5.230 1.00 24.15 H new ATOM 0 HG23 ILE A 6 -2.756 14.136 3.506 1.00 24.15 H new ATOM 0 HD11 ILE A 6 -4.795 10.824 1.896 1.00 63.04 H new ATOM 0 HD12 ILE A 6 -5.350 11.146 3.556 1.00 63.04 H new ATOM 0 HD13 ILE A 6 -4.875 12.496 2.499 1.00 63.04 H new ATOM 120 N HIS A 7 -0.916 10.154 6.374 1.00 71.02 N ATOM 121 CA HIS A 7 -0.685 8.716 6.683 1.00 51.14 C ATOM 122 C HIS A 7 -1.958 8.047 7.276 1.00 44.43 C ATOM 123 O HIS A 7 -2.510 8.506 8.283 1.00 5.34 O ATOM 124 CB HIS A 7 0.542 8.553 7.624 1.00 71.31 C ATOM 125 CG HIS A 7 0.474 9.337 8.909 1.00 53.42 C ATOM 126 ND1 HIS A 7 -0.171 8.876 10.034 1.00 13.20 N ATOM 127 CD2 HIS A 7 0.994 10.541 9.253 1.00 5.43 C ATOM 128 CE1 HIS A 7 -0.060 9.757 11.003 1.00 43.12 C ATOM 129 NE2 HIS A 7 0.640 10.772 10.556 1.00 61.23 N ATOM 0 H HIS A 7 -1.041 10.740 7.200 1.00 71.02 H new ATOM 0 HA HIS A 7 -0.464 8.199 5.749 1.00 51.14 H new ATOM 0 HB2 HIS A 7 0.655 7.497 7.867 1.00 71.31 H new ATOM 0 HB3 HIS A 7 1.438 8.853 7.081 1.00 71.31 H new ATOM 0 HD2 HIS A 7 1.577 11.194 8.620 1.00 5.43 H new ATOM 0 HE1 HIS A 7 -0.474 9.662 11.996 1.00 43.12 H new ATOM 0 HE2 HIS A 7 0.883 11.604 11.094 1.00 61.23 H new ATOM 138 N LEU A 8 -2.416 6.957 6.623 1.00 23.54 N ATOM 139 CA LEU A 8 -3.595 6.163 7.053 1.00 10.34 C ATOM 140 C LEU A 8 -3.126 4.891 7.790 1.00 25.52 C ATOM 141 O LEU A 8 -2.417 4.070 7.210 1.00 32.52 O ATOM 142 CB LEU A 8 -4.487 5.759 5.835 1.00 73.13 C ATOM 143 CG LEU A 8 -5.409 6.870 5.237 1.00 53.20 C ATOM 144 CD1 LEU A 8 -4.606 8.047 4.644 1.00 20.34 C ATOM 145 CD2 LEU A 8 -6.374 6.267 4.194 1.00 73.12 C ATOM 0 H LEU A 8 -1.977 6.598 5.775 1.00 23.54 H new ATOM 0 HA LEU A 8 -4.191 6.783 7.722 1.00 10.34 H new ATOM 0 HB2 LEU A 8 -3.834 5.396 5.041 1.00 73.13 H new ATOM 0 HB3 LEU A 8 -5.116 4.922 6.138 1.00 73.13 H new ATOM 0 HG LEU A 8 -5.997 7.281 6.058 1.00 53.20 H new ATOM 0 HD11 LEU A 8 -5.294 8.791 4.242 1.00 20.34 H new ATOM 0 HD12 LEU A 8 -3.996 8.501 5.425 1.00 20.34 H new ATOM 0 HD13 LEU A 8 -3.960 7.681 3.846 1.00 20.34 H new ATOM 0 HD21 LEU A 8 -7.009 7.054 3.788 1.00 73.12 H new ATOM 0 HD22 LEU A 8 -5.800 5.811 3.387 1.00 73.12 H new ATOM 0 HD23 LEU A 8 -6.996 5.509 4.669 1.00 73.12 H new ATOM 157 N GLU A 9 -3.552 4.729 9.051 1.00 22.32 N ATOM 158 CA GLU A 9 -3.083 3.620 9.928 1.00 3.10 C ATOM 159 C GLU A 9 -4.196 2.572 10.190 1.00 52.40 C ATOM 160 O GLU A 9 -5.309 2.914 10.592 1.00 20.53 O ATOM 161 CB GLU A 9 -2.562 4.188 11.276 1.00 3.42 C ATOM 162 CG GLU A 9 -1.960 3.129 12.230 1.00 3.14 C ATOM 163 CD GLU A 9 -1.413 3.727 13.540 1.00 35.20 C ATOM 164 OE1 GLU A 9 -0.324 4.336 13.515 1.00 13.01 O ATOM 165 OE2 GLU A 9 -2.073 3.609 14.596 1.00 5.30 O ATOM 0 H GLU A 9 -4.225 5.351 9.499 1.00 22.32 H new ATOM 0 HA GLU A 9 -2.271 3.114 9.406 1.00 3.10 H new ATOM 0 HB2 GLU A 9 -1.804 4.944 11.068 1.00 3.42 H new ATOM 0 HB3 GLU A 9 -3.384 4.692 11.785 1.00 3.42 H new ATOM 0 HG2 GLU A 9 -2.724 2.389 12.468 1.00 3.14 H new ATOM 0 HG3 GLU A 9 -1.156 2.603 11.716 1.00 3.14 H new ATOM 172 N TYR A 10 -3.857 1.288 9.970 1.00 31.11 N ATOM 173 CA TYR A 10 -4.759 0.136 10.200 1.00 12.10 C ATOM 174 C TYR A 10 -4.035 -0.894 11.096 1.00 21.51 C ATOM 175 O TYR A 10 -2.902 -1.269 10.802 1.00 12.04 O ATOM 176 CB TYR A 10 -5.151 -0.521 8.845 1.00 23.54 C ATOM 177 CG TYR A 10 -5.674 0.476 7.789 1.00 12.13 C ATOM 178 CD1 TYR A 10 -6.988 0.963 7.837 1.00 31.20 C ATOM 179 CD2 TYR A 10 -4.848 0.934 6.753 1.00 33.55 C ATOM 180 CE1 TYR A 10 -7.453 1.862 6.892 1.00 74.31 C ATOM 181 CE2 TYR A 10 -5.312 1.833 5.808 1.00 53.22 C ATOM 182 CZ TYR A 10 -6.614 2.292 5.882 1.00 21.12 C ATOM 183 OH TYR A 10 -7.085 3.183 4.941 1.00 2.42 O ATOM 0 H TYR A 10 -2.938 1.014 9.623 1.00 31.11 H new ATOM 0 HA TYR A 10 -5.669 0.479 10.692 1.00 12.10 H new ATOM 0 HB2 TYR A 10 -4.282 -1.040 8.440 1.00 23.54 H new ATOM 0 HB3 TYR A 10 -5.916 -1.275 9.027 1.00 23.54 H new ATOM 0 HD1 TYR A 10 -7.649 0.631 8.624 1.00 31.20 H new ATOM 0 HD2 TYR A 10 -3.830 0.579 6.691 1.00 33.55 H new ATOM 0 HE1 TYR A 10 -8.468 2.226 6.944 1.00 74.31 H new ATOM 0 HE2 TYR A 10 -4.660 2.174 5.017 1.00 53.22 H new ATOM 0 HH TYR A 10 -6.373 3.388 4.299 1.00 2.42 H new ATOM 193 N LEU A 11 -4.685 -1.360 12.173 1.00 24.21 N ATOM 194 CA LEU A 11 -4.061 -2.313 13.128 1.00 62.04 C ATOM 195 C LEU A 11 -4.476 -3.762 12.777 1.00 4.31 C ATOM 196 O LEU A 11 -5.572 -4.205 13.095 1.00 10.21 O ATOM 197 CB LEU A 11 -4.406 -1.960 14.616 1.00 63.22 C ATOM 198 CG LEU A 11 -5.928 -1.875 15.031 1.00 54.31 C ATOM 199 CD1 LEU A 11 -6.091 -1.979 16.562 1.00 40.31 C ATOM 200 CD2 LEU A 11 -6.605 -0.580 14.515 1.00 13.23 C ATOM 0 H LEU A 11 -5.641 -1.098 12.412 1.00 24.21 H new ATOM 0 HA LEU A 11 -2.978 -2.230 13.033 1.00 62.04 H new ATOM 0 HB2 LEU A 11 -3.928 -2.704 15.254 1.00 63.22 H new ATOM 0 HB3 LEU A 11 -3.944 -1.000 14.846 1.00 63.22 H new ATOM 0 HG LEU A 11 -6.427 -2.722 14.561 1.00 54.31 H new ATOM 0 HD11 LEU A 11 -7.148 -1.918 16.820 1.00 40.31 H new ATOM 0 HD12 LEU A 11 -5.688 -2.931 16.907 1.00 40.31 H new ATOM 0 HD13 LEU A 11 -5.552 -1.162 17.042 1.00 40.31 H new ATOM 0 HD21 LEU A 11 -7.650 -0.567 14.825 1.00 13.23 H new ATOM 0 HD22 LEU A 11 -6.093 0.288 14.929 1.00 13.23 H new ATOM 0 HD23 LEU A 11 -6.549 -0.549 13.427 1.00 13.23 H new ATOM 212 N LEU A 12 -3.579 -4.509 12.120 1.00 71.54 N ATOM 213 CA LEU A 12 -3.906 -5.865 11.625 1.00 61.44 C ATOM 214 C LEU A 12 -3.859 -6.907 12.764 1.00 12.32 C ATOM 215 O LEU A 12 -2.792 -7.217 13.306 1.00 22.20 O ATOM 216 CB LEU A 12 -2.981 -6.249 10.424 1.00 40.23 C ATOM 217 CG LEU A 12 -3.496 -5.804 9.018 1.00 24.11 C ATOM 218 CD1 LEU A 12 -4.802 -6.539 8.652 1.00 33.42 C ATOM 219 CD2 LEU A 12 -3.674 -4.274 8.940 1.00 51.41 C ATOM 0 H LEU A 12 -2.627 -4.206 11.917 1.00 71.54 H new ATOM 0 HA LEU A 12 -4.931 -5.860 11.255 1.00 61.44 H new ATOM 0 HB2 LEU A 12 -1.997 -5.809 10.589 1.00 40.23 H new ATOM 0 HB3 LEU A 12 -2.849 -7.331 10.419 1.00 40.23 H new ATOM 0 HG LEU A 12 -2.739 -6.080 8.285 1.00 24.11 H new ATOM 0 HD11 LEU A 12 -5.140 -6.212 7.669 1.00 33.42 H new ATOM 0 HD12 LEU A 12 -4.622 -7.614 8.635 1.00 33.42 H new ATOM 0 HD13 LEU A 12 -5.568 -6.311 9.393 1.00 33.42 H new ATOM 0 HD21 LEU A 12 -4.033 -4.000 7.948 1.00 51.41 H new ATOM 0 HD22 LEU A 12 -4.397 -3.953 9.690 1.00 51.41 H new ATOM 0 HD23 LEU A 12 -2.717 -3.786 9.127 1.00 51.41 H new ATOM 231 N ASN A 13 -5.049 -7.445 13.092 1.00 75.22 N ATOM 232 CA ASN A 13 -5.245 -8.445 14.161 1.00 33.10 C ATOM 233 C ASN A 13 -5.484 -9.850 13.562 1.00 51.45 C ATOM 234 O ASN A 13 -6.137 -9.976 12.515 1.00 15.44 O ATOM 235 CB ASN A 13 -6.444 -8.043 15.061 1.00 3.13 C ATOM 236 CG ASN A 13 -6.275 -6.669 15.707 1.00 64.51 C ATOM 237 OD1 ASN A 13 -6.777 -5.666 15.217 1.00 14.50 O ATOM 238 ND2 ASN A 13 -5.543 -6.608 16.799 1.00 74.21 N ATOM 0 H ASN A 13 -5.915 -7.194 12.615 1.00 75.22 H new ATOM 0 HA ASN A 13 -4.339 -8.476 14.767 1.00 33.10 H new ATOM 0 HB2 ASN A 13 -7.356 -8.047 14.464 1.00 3.13 H new ATOM 0 HB3 ASN A 13 -6.571 -8.792 15.843 1.00 3.13 H new ATOM 0 HD21 ASN A 13 -5.383 -5.710 17.256 1.00 74.21 H new ATOM 0 HD22 ASN A 13 -5.135 -7.458 17.188 1.00 74.21 H new ATOM 280 N LYS A 17 1.097 -10.671 9.869 1.00 64.52 N ATOM 281 CA LYS A 17 2.231 -10.959 8.949 1.00 25.42 C ATOM 282 C LYS A 17 2.547 -9.756 8.031 1.00 22.50 C ATOM 283 O LYS A 17 1.679 -8.945 7.731 1.00 74.25 O ATOM 284 CB LYS A 17 1.933 -12.226 8.093 1.00 42.41 C ATOM 285 CG LYS A 17 1.841 -13.532 8.917 1.00 53.24 C ATOM 286 CD LYS A 17 1.699 -14.802 8.041 1.00 51.23 C ATOM 287 CE LYS A 17 1.743 -16.097 8.877 1.00 70.10 C ATOM 288 NZ LYS A 17 1.754 -17.324 8.034 1.00 42.35 N ATOM 0 HA LYS A 17 3.110 -11.145 9.566 1.00 25.42 H new ATOM 0 HB2 LYS A 17 0.995 -12.079 7.558 1.00 42.41 H new ATOM 0 HB3 LYS A 17 2.714 -12.337 7.341 1.00 42.41 H new ATOM 0 HG2 LYS A 17 2.732 -13.625 9.538 1.00 53.24 H new ATOM 0 HG3 LYS A 17 0.988 -13.468 9.592 1.00 53.24 H new ATOM 0 HD2 LYS A 17 0.759 -14.759 7.492 1.00 51.23 H new ATOM 0 HD3 LYS A 17 2.500 -14.822 7.302 1.00 51.23 H new ATOM 0 HE2 LYS A 17 2.631 -16.087 9.509 1.00 70.10 H new ATOM 0 HE3 LYS A 17 0.880 -16.125 9.542 1.00 70.10 H new ATOM 0 HZ1 LYS A 17 1.784 -18.165 8.645 1.00 42.35 H new ATOM 0 HZ2 LYS A 17 0.894 -17.351 7.449 1.00 42.35 H new ATOM 0 HZ3 LYS A 17 2.592 -17.314 7.418 1.00 42.35 H new ATOM 302 N ASN A 18 3.821 -9.638 7.619 1.00 62.21 N ATOM 303 CA ASN A 18 4.266 -8.642 6.610 1.00 71.42 C ATOM 304 C ASN A 18 3.790 -9.018 5.185 1.00 25.01 C ATOM 305 O ASN A 18 3.546 -8.153 4.347 1.00 73.14 O ATOM 306 CB ASN A 18 5.811 -8.495 6.649 1.00 73.33 C ATOM 307 CG ASN A 18 6.591 -9.738 6.197 1.00 72.12 C ATOM 308 OD1 ASN A 18 6.175 -10.867 6.414 1.00 12.11 O ATOM 309 ND2 ASN A 18 7.735 -9.539 5.567 1.00 64.23 N ATOM 0 H ASN A 18 4.576 -10.226 7.971 1.00 62.21 H new ATOM 0 HA ASN A 18 3.811 -7.684 6.863 1.00 71.42 H new ATOM 0 HB2 ASN A 18 6.097 -7.655 6.017 1.00 73.33 H new ATOM 0 HB3 ASN A 18 6.112 -8.245 7.666 1.00 73.33 H new ATOM 0 HD21 ASN A 18 8.289 -10.335 5.252 1.00 64.23 H new ATOM 0 HD22 ASN A 18 8.064 -8.589 5.396 1.00 64.23 H new ATOM 316 N ILE A 19 3.653 -10.335 4.969 1.00 45.23 N ATOM 317 CA ILE A 19 3.331 -10.984 3.667 1.00 23.03 C ATOM 318 C ILE A 19 2.039 -10.422 2.999 1.00 33.12 C ATOM 319 O ILE A 19 1.897 -10.482 1.768 1.00 14.00 O ATOM 320 CB ILE A 19 3.216 -12.539 3.918 1.00 63.04 C ATOM 321 CG1 ILE A 19 4.533 -13.065 4.601 1.00 52.11 C ATOM 322 CG2 ILE A 19 2.909 -13.332 2.619 1.00 44.01 C ATOM 323 CD1 ILE A 19 4.425 -14.417 5.268 1.00 54.40 C ATOM 0 H ILE A 19 3.766 -11.014 5.721 1.00 45.23 H new ATOM 0 HA ILE A 19 4.132 -10.764 2.961 1.00 23.03 H new ATOM 0 HB ILE A 19 2.370 -12.705 4.585 1.00 63.04 H new ATOM 0 HG12 ILE A 19 5.318 -13.113 3.847 1.00 52.11 H new ATOM 0 HG13 ILE A 19 4.851 -12.336 5.346 1.00 52.11 H new ATOM 0 HG21 ILE A 19 2.841 -14.395 2.849 1.00 44.01 H new ATOM 0 HG22 ILE A 19 1.963 -12.990 2.199 1.00 44.01 H new ATOM 0 HG23 ILE A 19 3.708 -13.168 1.895 1.00 44.01 H new ATOM 0 HD11 ILE A 19 5.387 -14.684 5.706 1.00 54.40 H new ATOM 0 HD12 ILE A 19 3.668 -14.377 6.051 1.00 54.40 H new ATOM 0 HD13 ILE A 19 4.143 -15.166 4.528 1.00 54.40 H new ATOM 335 N LEU A 20 1.137 -9.854 3.836 1.00 23.34 N ATOM 336 CA LEU A 20 -0.114 -9.169 3.402 1.00 21.03 C ATOM 337 C LEU A 20 0.126 -8.207 2.202 1.00 63.02 C ATOM 338 O LEU A 20 -0.417 -8.399 1.109 1.00 5.22 O ATOM 339 CB LEU A 20 -0.694 -8.364 4.605 1.00 62.11 C ATOM 340 CG LEU A 20 -1.020 -9.180 5.900 1.00 54.33 C ATOM 341 CD1 LEU A 20 -1.360 -8.236 7.076 1.00 65.25 C ATOM 342 CD2 LEU A 20 -2.149 -10.208 5.655 1.00 40.41 C ATOM 0 H LEU A 20 1.257 -9.857 4.849 1.00 23.34 H new ATOM 0 HA LEU A 20 -0.818 -9.933 3.072 1.00 21.03 H new ATOM 0 HB2 LEU A 20 0.017 -7.580 4.866 1.00 62.11 H new ATOM 0 HB3 LEU A 20 -1.607 -7.869 4.275 1.00 62.11 H new ATOM 0 HG LEU A 20 -0.127 -9.743 6.171 1.00 54.33 H new ATOM 0 HD11 LEU A 20 -1.583 -8.827 7.964 1.00 65.25 H new ATOM 0 HD12 LEU A 20 -0.509 -7.585 7.277 1.00 65.25 H new ATOM 0 HD13 LEU A 20 -2.228 -7.630 6.817 1.00 65.25 H new ATOM 0 HD21 LEU A 20 -2.348 -10.756 6.576 1.00 40.41 H new ATOM 0 HD22 LEU A 20 -3.053 -9.687 5.340 1.00 40.41 H new ATOM 0 HD23 LEU A 20 -1.842 -10.906 4.876 1.00 40.41 H new ATOM 354 N TRP A 21 0.958 -7.176 2.432 1.00 75.04 N ATOM 355 CA TRP A 21 1.351 -6.198 1.396 1.00 13.53 C ATOM 356 C TRP A 21 2.732 -6.502 0.785 1.00 10.00 C ATOM 357 O TRP A 21 3.014 -6.040 -0.306 1.00 72.32 O ATOM 358 CB TRP A 21 1.318 -4.766 1.968 1.00 62.15 C ATOM 359 CG TRP A 21 -0.067 -4.153 2.016 1.00 24.31 C ATOM 360 CD1 TRP A 21 -0.967 -4.205 3.038 1.00 51.13 C ATOM 361 CD2 TRP A 21 -0.692 -3.388 0.973 1.00 53.15 C ATOM 362 NE1 TRP A 21 -2.088 -3.481 2.713 1.00 41.51 N ATOM 363 CE2 TRP A 21 -1.949 -2.981 1.448 1.00 10.24 C ATOM 364 CE3 TRP A 21 -0.300 -3.002 -0.311 1.00 2.14 C ATOM 365 CZ2 TRP A 21 -2.817 -2.197 0.688 1.00 32.13 C ATOM 366 CZ3 TRP A 21 -1.160 -2.235 -1.069 1.00 4.12 C ATOM 367 CH2 TRP A 21 -2.405 -1.836 -0.566 1.00 72.31 C ATOM 0 H TRP A 21 1.379 -6.995 3.343 1.00 75.04 H new ATOM 0 HA TRP A 21 0.623 -6.281 0.589 1.00 13.53 H new ATOM 0 HB2 TRP A 21 1.734 -4.779 2.976 1.00 62.15 H new ATOM 0 HB3 TRP A 21 1.965 -4.130 1.364 1.00 62.15 H new ATOM 0 HD1 TRP A 21 -0.820 -4.737 3.966 1.00 51.13 H new ATOM 0 HE1 TRP A 21 -2.896 -3.339 3.319 1.00 41.51 H new ATOM 0 HE3 TRP A 21 0.661 -3.299 -0.704 1.00 2.14 H new ATOM 0 HZ2 TRP A 21 -3.777 -1.887 1.074 1.00 32.13 H new ATOM 0 HZ3 TRP A 21 -0.869 -1.937 -2.066 1.00 4.12 H new ATOM 0 HH2 TRP A 21 -3.054 -1.230 -1.181 1.00 72.31 H new ATOM 378 N SER A 22 3.586 -7.279 1.484 1.00 64.34 N ATOM 379 CA SER A 22 4.945 -7.655 0.971 1.00 0.03 C ATOM 380 C SER A 22 4.879 -8.433 -0.378 1.00 75.32 C ATOM 381 O SER A 22 5.872 -8.528 -1.099 1.00 44.21 O ATOM 382 CB SER A 22 5.724 -8.473 2.030 1.00 32.11 C ATOM 383 OG SER A 22 7.034 -8.814 1.594 1.00 23.13 O ATOM 0 H SER A 22 3.371 -7.663 2.404 1.00 64.34 H new ATOM 0 HA SER A 22 5.478 -6.724 0.779 1.00 0.03 H new ATOM 0 HB2 SER A 22 5.789 -7.898 2.954 1.00 32.11 H new ATOM 0 HB3 SER A 22 5.172 -9.384 2.260 1.00 32.11 H new ATOM 0 HG SER A 22 7.488 -9.328 2.294 1.00 23.13 H new ATOM 389 N ALA A 23 3.686 -8.967 -0.703 1.00 31.11 N ATOM 390 CA ALA A 23 3.393 -9.640 -1.997 1.00 11.22 C ATOM 391 C ALA A 23 3.646 -8.725 -3.233 1.00 50.04 C ATOM 392 O ALA A 23 4.009 -9.214 -4.307 1.00 24.02 O ATOM 393 CB ALA A 23 1.935 -10.127 -1.986 1.00 12.22 C ATOM 0 H ALA A 23 2.885 -8.946 -0.072 1.00 31.11 H new ATOM 0 HA ALA A 23 4.079 -10.481 -2.095 1.00 11.22 H new ATOM 0 HB1 ALA A 23 1.710 -10.622 -2.931 1.00 12.22 H new ATOM 0 HB2 ALA A 23 1.792 -10.830 -1.165 1.00 12.22 H new ATOM 0 HB3 ALA A 23 1.268 -9.275 -1.855 1.00 12.22 H new ATOM 399 N ILE A 24 3.474 -7.393 -3.060 1.00 71.52 N ATOM 400 CA ILE A 24 3.595 -6.404 -4.165 1.00 50.12 C ATOM 401 C ILE A 24 5.056 -6.172 -4.632 1.00 24.54 C ATOM 402 O ILE A 24 5.286 -5.521 -5.658 1.00 0.33 O ATOM 403 CB ILE A 24 2.913 -5.025 -3.800 1.00 12.51 C ATOM 404 CG1 ILE A 24 3.707 -4.275 -2.682 1.00 52.41 C ATOM 405 CG2 ILE A 24 1.435 -5.247 -3.395 1.00 73.44 C ATOM 406 CD1 ILE A 24 3.023 -3.048 -2.104 1.00 31.25 C ATOM 0 H ILE A 24 3.249 -6.973 -2.158 1.00 71.52 H new ATOM 0 HA ILE A 24 3.060 -6.849 -5.004 1.00 50.12 H new ATOM 0 HB ILE A 24 2.931 -4.389 -4.685 1.00 12.51 H new ATOM 0 HG12 ILE A 24 3.906 -4.975 -1.870 1.00 52.41 H new ATOM 0 HG13 ILE A 24 4.673 -3.974 -3.087 1.00 52.41 H new ATOM 0 HG21 ILE A 24 0.978 -4.289 -3.146 1.00 73.44 H new ATOM 0 HG22 ILE A 24 0.895 -5.702 -4.225 1.00 73.44 H new ATOM 0 HG23 ILE A 24 1.390 -5.906 -2.528 1.00 73.44 H new ATOM 0 HD11 ILE A 24 3.659 -2.604 -1.338 1.00 31.25 H new ATOM 0 HD12 ILE A 24 2.849 -2.321 -2.897 1.00 31.25 H new ATOM 0 HD13 ILE A 24 2.070 -3.337 -1.662 1.00 31.25 H new ATOM 418 N SER A 25 6.030 -6.698 -3.874 1.00 12.02 N ATOM 419 CA SER A 25 7.463 -6.629 -4.251 1.00 50.30 C ATOM 420 C SER A 25 7.821 -7.708 -5.304 1.00 74.33 C ATOM 421 O SER A 25 8.757 -7.535 -6.094 1.00 12.24 O ATOM 422 CB SER A 25 8.351 -6.798 -2.999 1.00 14.22 C ATOM 423 OG SER A 25 8.303 -8.124 -2.491 1.00 33.42 O ATOM 0 H SER A 25 5.857 -7.179 -2.991 1.00 12.02 H new ATOM 0 HA SER A 25 7.647 -5.650 -4.694 1.00 50.30 H new ATOM 0 HB2 SER A 25 9.381 -6.541 -3.247 1.00 14.22 H new ATOM 0 HB3 SER A 25 8.026 -6.101 -2.226 1.00 14.22 H new ATOM 0 HG SER A 25 7.461 -8.259 -2.009 1.00 33.42 H new ATOM 429 N THR A 26 7.079 -8.835 -5.283 1.00 1.10 N ATOM 430 CA THR A 26 7.276 -9.963 -6.224 1.00 12.11 C ATOM 431 C THR A 26 6.222 -9.958 -7.358 1.00 25.41 C ATOM 432 O THR A 26 5.075 -9.568 -7.126 1.00 30.15 O ATOM 433 CB THR A 26 7.215 -11.354 -5.490 1.00 22.44 C ATOM 434 OG1 THR A 26 5.994 -11.482 -4.736 1.00 11.22 O ATOM 435 CG2 THR A 26 8.425 -11.561 -4.565 1.00 34.01 C ATOM 0 H THR A 26 6.325 -8.991 -4.614 1.00 1.10 H new ATOM 0 HA THR A 26 8.268 -9.824 -6.653 1.00 12.11 H new ATOM 0 HB THR A 26 7.240 -12.125 -6.260 1.00 22.44 H new ATOM 0 HG1 THR A 26 5.445 -10.681 -4.864 1.00 11.22 H new ATOM 0 HG21 THR A 26 8.347 -12.532 -4.076 1.00 34.01 H new ATOM 0 HG22 THR A 26 9.343 -11.523 -5.152 1.00 34.01 H new ATOM 0 HG23 THR A 26 8.444 -10.775 -3.810 1.00 34.01 H new ATOM 443 N PRO A 27 6.607 -10.403 -8.604 1.00 11.32 N ATOM 444 CA PRO A 27 5.652 -10.600 -9.736 1.00 65.43 C ATOM 445 C PRO A 27 4.502 -11.592 -9.390 1.00 43.40 C ATOM 446 O PRO A 27 3.324 -11.246 -9.489 1.00 64.24 O ATOM 447 CB PRO A 27 6.565 -11.157 -10.877 1.00 2.52 C ATOM 448 CG PRO A 27 7.793 -11.658 -10.170 1.00 74.01 C ATOM 449 CD PRO A 27 8.001 -10.706 -9.028 1.00 45.22 C ATOM 0 HA PRO A 27 5.134 -9.679 -10.004 1.00 65.43 H new ATOM 0 HB2 PRO A 27 6.069 -11.958 -11.426 1.00 2.52 H new ATOM 0 HB3 PRO A 27 6.813 -10.381 -11.601 1.00 2.52 H new ATOM 0 HG2 PRO A 27 7.654 -12.678 -9.813 1.00 74.01 H new ATOM 0 HG3 PRO A 27 8.655 -11.669 -10.837 1.00 74.01 H new ATOM 0 HD2 PRO A 27 8.581 -11.158 -8.223 1.00 45.22 H new ATOM 0 HD3 PRO A 27 8.535 -9.808 -9.340 1.00 45.22 H new ATOM 457 N THR A 28 4.883 -12.823 -8.981 1.00 44.01 N ATOM 458 CA THR A 28 3.947 -13.899 -8.564 1.00 32.22 C ATOM 459 C THR A 28 2.989 -13.457 -7.429 1.00 60.51 C ATOM 460 O THR A 28 1.774 -13.685 -7.506 1.00 2.41 O ATOM 461 CB THR A 28 4.744 -15.165 -8.094 1.00 1.10 C ATOM 462 OG1 THR A 28 5.589 -14.829 -6.974 1.00 43.32 O ATOM 463 CG2 THR A 28 5.617 -15.754 -9.223 1.00 21.24 C ATOM 0 H THR A 28 5.862 -13.104 -8.930 1.00 44.01 H new ATOM 0 HA THR A 28 3.341 -14.134 -9.439 1.00 32.22 H new ATOM 0 HB THR A 28 4.010 -15.917 -7.803 1.00 1.10 H new ATOM 0 HG1 THR A 28 6.082 -15.625 -6.686 1.00 43.32 H new ATOM 0 HG21 THR A 28 6.150 -16.629 -8.852 1.00 21.24 H new ATOM 0 HG22 THR A 28 4.982 -16.044 -10.060 1.00 21.24 H new ATOM 0 HG23 THR A 28 6.336 -15.005 -9.556 1.00 21.24 H new ATOM 471 N GLY A 29 3.558 -12.812 -6.392 1.00 41.51 N ATOM 472 CA GLY A 29 2.783 -12.311 -5.249 1.00 33.41 C ATOM 473 C GLY A 29 1.778 -11.217 -5.622 1.00 44.54 C ATOM 474 O GLY A 29 0.674 -11.176 -5.081 1.00 75.12 O ATOM 0 H GLY A 29 4.559 -12.627 -6.326 1.00 41.51 H new ATOM 0 HA2 GLY A 29 2.248 -13.143 -4.791 1.00 33.41 H new ATOM 0 HA3 GLY A 29 3.470 -11.921 -4.498 1.00 33.41 H new ATOM 478 N LEU A 30 2.174 -10.323 -6.542 1.00 13.35 N ATOM 479 CA LEU A 30 1.298 -9.237 -7.048 1.00 74.13 C ATOM 480 C LEU A 30 0.095 -9.800 -7.856 1.00 35.40 C ATOM 481 O LEU A 30 -1.052 -9.497 -7.530 1.00 41.20 O ATOM 482 CB LEU A 30 2.113 -8.208 -7.904 1.00 41.53 C ATOM 483 CG LEU A 30 2.135 -6.736 -7.396 1.00 73.45 C ATOM 484 CD1 LEU A 30 3.043 -5.840 -8.264 1.00 54.30 C ATOM 485 CD2 LEU A 30 0.714 -6.151 -7.279 1.00 3.00 C ATOM 0 H LEU A 30 3.105 -10.326 -6.959 1.00 13.35 H new ATOM 0 HA LEU A 30 0.895 -8.714 -6.181 1.00 74.13 H new ATOM 0 HB2 LEU A 30 3.142 -8.560 -7.970 1.00 41.53 H new ATOM 0 HB3 LEU A 30 1.709 -8.212 -8.916 1.00 41.53 H new ATOM 0 HG LEU A 30 2.564 -6.755 -6.394 1.00 73.45 H new ATOM 0 HD11 LEU A 30 3.029 -4.822 -7.874 1.00 54.30 H new ATOM 0 HD12 LEU A 30 4.063 -6.224 -8.240 1.00 54.30 H new ATOM 0 HD13 LEU A 30 2.679 -5.840 -9.292 1.00 54.30 H new ATOM 0 HD21 LEU A 30 0.772 -5.123 -6.922 1.00 3.00 H new ATOM 0 HD22 LEU A 30 0.232 -6.169 -8.256 1.00 3.00 H new ATOM 0 HD23 LEU A 30 0.132 -6.747 -6.576 1.00 3.00 H new ATOM 497 N GLU A 31 0.362 -10.647 -8.887 1.00 15.11 N ATOM 498 CA GLU A 31 -0.718 -11.216 -9.755 1.00 34.20 C ATOM 499 C GLU A 31 -1.606 -12.250 -9.034 1.00 64.11 C ATOM 500 O GLU A 31 -2.587 -12.734 -9.611 1.00 12.12 O ATOM 501 CB GLU A 31 -0.171 -11.813 -11.079 1.00 21.24 C ATOM 502 CG GLU A 31 0.824 -12.975 -10.917 1.00 64.41 C ATOM 503 CD GLU A 31 1.104 -13.707 -12.239 1.00 2.40 C ATOM 504 OE1 GLU A 31 1.846 -13.173 -13.089 1.00 40.33 O ATOM 505 OE2 GLU A 31 0.563 -14.818 -12.440 1.00 42.34 O ATOM 0 H GLU A 31 1.302 -10.951 -9.139 1.00 15.11 H new ATOM 0 HA GLU A 31 -1.348 -10.361 -10.001 1.00 34.20 H new ATOM 0 HB2 GLU A 31 -1.014 -12.159 -11.677 1.00 21.24 H new ATOM 0 HB3 GLU A 31 0.315 -11.017 -11.643 1.00 21.24 H new ATOM 0 HG2 GLU A 31 1.761 -12.591 -10.514 1.00 64.41 H new ATOM 0 HG3 GLU A 31 0.431 -13.685 -10.190 1.00 64.41 H new ATOM 512 N ASP A 32 -1.262 -12.589 -7.784 1.00 35.14 N ATOM 513 CA ASP A 32 -2.125 -13.399 -6.917 1.00 33.41 C ATOM 514 C ASP A 32 -3.425 -12.622 -6.547 1.00 31.24 C ATOM 515 O ASP A 32 -4.497 -13.224 -6.427 1.00 51.25 O ATOM 516 CB ASP A 32 -1.339 -13.825 -5.649 1.00 1.34 C ATOM 517 CG ASP A 32 -2.132 -14.790 -4.750 1.00 73.32 C ATOM 518 OD1 ASP A 32 -2.389 -15.938 -5.180 1.00 32.21 O ATOM 519 OD2 ASP A 32 -2.508 -14.414 -3.619 1.00 42.40 O ATOM 0 H ASP A 32 -0.383 -12.311 -7.348 1.00 35.14 H new ATOM 0 HA ASP A 32 -2.427 -14.298 -7.454 1.00 33.41 H new ATOM 0 HB2 ASP A 32 -0.405 -14.300 -5.949 1.00 1.34 H new ATOM 0 HB3 ASP A 32 -1.075 -12.936 -5.076 1.00 1.34 H new ATOM 524 N TRP A 33 -3.324 -11.277 -6.417 1.00 30.34 N ATOM 525 CA TRP A 33 -4.465 -10.415 -5.993 1.00 45.15 C ATOM 526 C TRP A 33 -4.544 -9.057 -6.758 1.00 63.43 C ATOM 527 O TRP A 33 -5.346 -8.190 -6.390 1.00 74.24 O ATOM 528 CB TRP A 33 -4.403 -10.181 -4.450 1.00 2.42 C ATOM 529 CG TRP A 33 -3.194 -9.397 -3.953 1.00 31.22 C ATOM 530 CD1 TRP A 33 -1.875 -9.675 -4.180 1.00 71.34 C ATOM 531 CD2 TRP A 33 -3.208 -8.236 -3.103 1.00 3.32 C ATOM 532 NE1 TRP A 33 -1.079 -8.751 -3.554 1.00 41.42 N ATOM 533 CE2 TRP A 33 -1.871 -7.862 -2.880 1.00 64.22 C ATOM 534 CE3 TRP A 33 -4.227 -7.478 -2.514 1.00 41.21 C ATOM 535 CZ2 TRP A 33 -1.523 -6.764 -2.093 1.00 21.43 C ATOM 536 CZ3 TRP A 33 -3.881 -6.385 -1.734 1.00 75.33 C ATOM 537 CH2 TRP A 33 -2.538 -6.037 -1.531 1.00 44.43 C ATOM 0 H TRP A 33 -2.464 -10.760 -6.599 1.00 30.34 H new ATOM 0 HA TRP A 33 -5.378 -10.951 -6.252 1.00 45.15 H new ATOM 0 HB2 TRP A 33 -5.307 -9.654 -4.143 1.00 2.42 H new ATOM 0 HB3 TRP A 33 -4.415 -11.151 -3.952 1.00 2.42 H new ATOM 0 HD1 TRP A 33 -1.512 -10.504 -4.769 1.00 71.34 H new ATOM 0 HE1 TRP A 33 -0.060 -8.730 -3.586 1.00 41.42 H new ATOM 0 HE3 TRP A 33 -5.264 -7.740 -2.664 1.00 41.21 H new ATOM 0 HZ2 TRP A 33 -0.489 -6.497 -1.933 1.00 21.43 H new ATOM 0 HZ3 TRP A 33 -4.659 -5.792 -1.275 1.00 75.33 H new ATOM 0 HH2 TRP A 33 -2.300 -5.179 -0.920 1.00 44.43 H new ATOM 548 N PHE A 34 -3.743 -8.886 -7.829 1.00 53.51 N ATOM 549 CA PHE A 34 -3.757 -7.656 -8.675 1.00 2.24 C ATOM 550 C PHE A 34 -3.261 -7.973 -10.102 1.00 64.13 C ATOM 551 O PHE A 34 -2.201 -8.564 -10.249 1.00 22.23 O ATOM 552 CB PHE A 34 -2.856 -6.540 -8.075 1.00 12.53 C ATOM 553 CG PHE A 34 -2.850 -5.241 -8.903 1.00 22.10 C ATOM 554 CD1 PHE A 34 -3.979 -4.419 -8.954 1.00 23.52 C ATOM 555 CD2 PHE A 34 -1.731 -4.866 -9.662 1.00 10.33 C ATOM 556 CE1 PHE A 34 -3.986 -3.265 -9.725 1.00 42.21 C ATOM 557 CE2 PHE A 34 -1.743 -3.718 -10.434 1.00 73.53 C ATOM 558 CZ PHE A 34 -2.870 -2.918 -10.467 1.00 14.41 C ATOM 0 H PHE A 34 -3.069 -9.587 -8.138 1.00 53.51 H new ATOM 0 HA PHE A 34 -4.788 -7.303 -8.707 1.00 2.24 H new ATOM 0 HB2 PHE A 34 -3.195 -6.315 -7.064 1.00 12.53 H new ATOM 0 HB3 PHE A 34 -1.835 -6.914 -7.993 1.00 12.53 H new ATOM 0 HD1 PHE A 34 -4.858 -4.685 -8.386 1.00 23.52 H new ATOM 0 HD2 PHE A 34 -0.845 -5.484 -9.643 1.00 10.33 H new ATOM 0 HE1 PHE A 34 -4.864 -2.636 -9.746 1.00 42.21 H new ATOM 0 HE2 PHE A 34 -0.871 -3.447 -11.011 1.00 73.53 H new ATOM 0 HZ PHE A 34 -2.880 -2.023 -11.071 1.00 14.41 H new ATOM 568 N ALA A 35 -4.015 -7.515 -11.133 1.00 53.42 N ATOM 569 CA ALA A 35 -3.707 -7.750 -12.576 1.00 71.42 C ATOM 570 C ALA A 35 -3.862 -9.243 -12.968 1.00 60.12 C ATOM 571 O ALA A 35 -3.592 -10.143 -12.162 1.00 13.15 O ATOM 572 CB ALA A 35 -2.299 -7.231 -12.959 1.00 15.21 C ATOM 0 H ALA A 35 -4.863 -6.966 -10.990 1.00 53.42 H new ATOM 0 HA ALA A 35 -4.441 -7.178 -13.143 1.00 71.42 H new ATOM 0 HB1 ALA A 35 -2.116 -7.422 -14.016 1.00 15.21 H new ATOM 0 HB2 ALA A 35 -2.242 -6.159 -12.769 1.00 15.21 H new ATOM 0 HB3 ALA A 35 -1.547 -7.746 -12.362 1.00 15.21 H new ATOM 578 N ASP A 36 -4.306 -9.503 -14.214 1.00 71.42 N ATOM 579 CA ASP A 36 -4.332 -10.879 -14.782 1.00 65.00 C ATOM 580 C ASP A 36 -2.914 -11.492 -14.802 1.00 45.32 C ATOM 581 O ASP A 36 -2.721 -12.677 -14.494 1.00 62.31 O ATOM 582 CB ASP A 36 -4.901 -10.866 -16.222 1.00 13.13 C ATOM 583 CG ASP A 36 -6.370 -10.418 -16.297 1.00 11.22 C ATOM 584 OD1 ASP A 36 -6.653 -9.236 -16.013 1.00 44.34 O ATOM 585 OD2 ASP A 36 -7.247 -11.233 -16.665 1.00 71.21 O ATOM 0 H ASP A 36 -4.652 -8.785 -14.850 1.00 71.42 H new ATOM 0 HA ASP A 36 -4.976 -11.486 -14.146 1.00 65.00 H new ATOM 0 HB2 ASP A 36 -4.295 -10.201 -16.838 1.00 13.13 H new ATOM 0 HB3 ASP A 36 -4.812 -11.865 -16.648 1.00 13.13 H new ATOM 590 N LYS A 37 -1.935 -10.649 -15.160 1.00 14.24 N ATOM 591 CA LYS A 37 -0.522 -11.032 -15.248 1.00 53.03 C ATOM 592 C LYS A 37 0.397 -9.883 -14.791 1.00 54.22 C ATOM 593 O LYS A 37 0.204 -8.721 -15.173 1.00 13.22 O ATOM 594 CB LYS A 37 -0.169 -11.441 -16.693 1.00 13.43 C ATOM 595 CG LYS A 37 1.309 -11.827 -16.874 1.00 52.14 C ATOM 596 CD LYS A 37 1.629 -12.447 -18.243 1.00 40.42 C ATOM 597 CE LYS A 37 0.980 -13.827 -18.439 1.00 24.22 C ATOM 598 NZ LYS A 37 1.378 -14.786 -17.372 1.00 35.12 N ATOM 0 H LYS A 37 -2.106 -9.672 -15.399 1.00 14.24 H new ATOM 0 HA LYS A 37 -0.364 -11.882 -14.584 1.00 53.03 H new ATOM 0 HB2 LYS A 37 -0.796 -12.283 -16.988 1.00 13.43 H new ATOM 0 HB3 LYS A 37 -0.406 -10.616 -17.365 1.00 13.43 H new ATOM 0 HG2 LYS A 37 1.926 -10.939 -16.736 1.00 52.14 H new ATOM 0 HG3 LYS A 37 1.588 -12.534 -16.092 1.00 52.14 H new ATOM 0 HD2 LYS A 37 1.287 -11.775 -19.030 1.00 40.42 H new ATOM 0 HD3 LYS A 37 2.710 -12.540 -18.351 1.00 40.42 H new ATOM 0 HE2 LYS A 37 -0.105 -13.720 -18.445 1.00 24.22 H new ATOM 0 HE3 LYS A 37 1.266 -14.227 -19.412 1.00 24.22 H new ATOM 0 HZ1 LYS A 37 1.106 -15.750 -17.652 1.00 35.12 H new ATOM 0 HZ2 LYS A 37 2.408 -14.744 -17.234 1.00 35.12 H new ATOM 0 HZ3 LYS A 37 0.899 -14.535 -16.484 1.00 35.12 H new ATOM 612 N VAL A 38 1.405 -10.240 -13.983 1.00 33.21 N ATOM 613 CA VAL A 38 2.460 -9.325 -13.525 1.00 4.22 C ATOM 614 C VAL A 38 3.841 -9.960 -13.831 1.00 70.42 C ATOM 615 O VAL A 38 4.234 -10.963 -13.222 1.00 53.14 O ATOM 616 CB VAL A 38 2.327 -9.021 -11.981 1.00 71.22 C ATOM 617 CG1 VAL A 38 3.481 -8.134 -11.472 1.00 14.41 C ATOM 618 CG2 VAL A 38 0.963 -8.369 -11.640 1.00 34.44 C ATOM 0 H VAL A 38 1.512 -11.188 -13.623 1.00 33.21 H new ATOM 0 HA VAL A 38 2.360 -8.377 -14.054 1.00 4.22 H new ATOM 0 HB VAL A 38 2.384 -9.982 -11.470 1.00 71.22 H new ATOM 0 HG11 VAL A 38 3.353 -7.947 -10.406 1.00 14.41 H new ATOM 0 HG12 VAL A 38 4.431 -8.641 -11.641 1.00 14.41 H new ATOM 0 HG13 VAL A 38 3.475 -7.186 -12.009 1.00 14.41 H new ATOM 0 HG21 VAL A 38 0.910 -8.175 -10.569 1.00 34.44 H new ATOM 0 HG22 VAL A 38 0.863 -7.430 -12.184 1.00 34.44 H new ATOM 0 HG23 VAL A 38 0.156 -9.043 -11.927 1.00 34.44 H new ATOM 628 N VAL A 39 4.535 -9.395 -14.825 1.00 13.33 N ATOM 629 CA VAL A 39 5.916 -9.779 -15.198 1.00 45.41 C ATOM 630 C VAL A 39 6.928 -8.753 -14.643 1.00 62.03 C ATOM 631 O VAL A 39 6.732 -7.557 -14.794 1.00 4.24 O ATOM 632 CB VAL A 39 6.051 -9.873 -16.769 1.00 30.53 C ATOM 633 CG1 VAL A 39 7.505 -10.186 -17.226 1.00 41.03 C ATOM 634 CG2 VAL A 39 5.059 -10.917 -17.344 1.00 44.30 C ATOM 0 H VAL A 39 4.155 -8.647 -15.406 1.00 13.33 H new ATOM 0 HA VAL A 39 6.133 -10.756 -14.765 1.00 45.41 H new ATOM 0 HB VAL A 39 5.799 -8.890 -17.167 1.00 30.53 H new ATOM 0 HG11 VAL A 39 7.541 -10.239 -18.314 1.00 41.03 H new ATOM 0 HG12 VAL A 39 8.173 -9.398 -16.879 1.00 41.03 H new ATOM 0 HG13 VAL A 39 7.821 -11.141 -16.805 1.00 41.03 H new ATOM 0 HG21 VAL A 39 5.169 -10.965 -18.427 1.00 44.30 H new ATOM 0 HG22 VAL A 39 5.271 -11.896 -16.914 1.00 44.30 H new ATOM 0 HG23 VAL A 39 4.039 -10.625 -17.096 1.00 44.30 H new ATOM 644 N SER A 40 8.000 -9.233 -13.990 1.00 21.41 N ATOM 645 CA SER A 40 9.107 -8.366 -13.509 1.00 15.25 C ATOM 646 C SER A 40 10.296 -8.419 -14.487 1.00 15.02 C ATOM 647 O SER A 40 10.865 -9.490 -14.731 1.00 33.11 O ATOM 648 CB SER A 40 9.561 -8.788 -12.094 1.00 74.04 C ATOM 649 OG SER A 40 10.609 -7.959 -11.609 1.00 41.34 O ATOM 0 H SER A 40 8.130 -10.222 -13.779 1.00 21.41 H new ATOM 0 HA SER A 40 8.738 -7.341 -13.460 1.00 15.25 H new ATOM 0 HB2 SER A 40 8.713 -8.740 -11.410 1.00 74.04 H new ATOM 0 HB3 SER A 40 9.897 -9.825 -12.114 1.00 74.04 H new ATOM 0 HG SER A 40 10.870 -8.253 -10.711 1.00 41.34 H new ATOM 655 N ASP A 41 10.649 -7.258 -15.062 1.00 74.13 N ATOM 656 CA ASP A 41 11.809 -7.121 -15.964 1.00 10.23 C ATOM 657 C ASP A 41 13.137 -7.225 -15.165 1.00 53.42 C ATOM 658 O ASP A 41 13.855 -8.226 -15.273 1.00 72.20 O ATOM 659 CB ASP A 41 11.713 -5.773 -16.736 1.00 33.04 C ATOM 660 CG ASP A 41 12.844 -5.583 -17.761 1.00 40.43 C ATOM 661 OD1 ASP A 41 12.772 -6.191 -18.852 1.00 21.11 O ATOM 662 OD2 ASP A 41 13.808 -4.841 -17.478 1.00 43.02 O ATOM 0 H ASP A 41 10.140 -6.387 -14.916 1.00 74.13 H new ATOM 0 HA ASP A 41 11.801 -7.935 -16.689 1.00 10.23 H new ATOM 0 HB2 ASP A 41 10.753 -5.723 -17.250 1.00 33.04 H new ATOM 0 HB3 ASP A 41 11.736 -4.950 -16.022 1.00 33.04 H new ATOM 667 N ASP A 42 13.427 -6.194 -14.343 1.00 63.14 N ATOM 668 CA ASP A 42 14.651 -6.138 -13.503 1.00 1.32 C ATOM 669 C ASP A 42 14.502 -5.023 -12.436 1.00 43.13 C ATOM 670 O ASP A 42 14.342 -5.296 -11.245 1.00 21.41 O ATOM 671 CB ASP A 42 15.920 -5.906 -14.386 1.00 64.12 C ATOM 672 CG ASP A 42 17.241 -6.056 -13.610 1.00 71.22 C ATOM 673 OD1 ASP A 42 17.737 -7.195 -13.484 1.00 63.11 O ATOM 674 OD2 ASP A 42 17.780 -5.042 -13.122 1.00 14.32 O ATOM 0 H ASP A 42 12.824 -5.378 -14.240 1.00 63.14 H new ATOM 0 HA ASP A 42 14.776 -7.094 -12.994 1.00 1.32 H new ATOM 0 HB2 ASP A 42 15.911 -6.614 -15.214 1.00 64.12 H new ATOM 0 HB3 ASP A 42 15.874 -4.907 -14.820 1.00 64.12 H new ATOM 679 N LYS A 43 14.556 -3.762 -12.896 1.00 31.25 N ATOM 680 CA LYS A 43 14.302 -2.563 -12.062 1.00 4.42 C ATOM 681 C LYS A 43 12.866 -2.032 -12.288 1.00 13.20 C ATOM 682 O LYS A 43 12.454 -1.064 -11.646 1.00 71.21 O ATOM 683 CB LYS A 43 15.340 -1.464 -12.418 1.00 55.22 C ATOM 684 CG LYS A 43 16.809 -1.837 -12.103 1.00 2.33 C ATOM 685 CD LYS A 43 17.827 -0.807 -12.654 1.00 53.10 C ATOM 686 CE LYS A 43 17.644 0.606 -12.065 1.00 2.31 C ATOM 687 NZ LYS A 43 18.598 1.582 -12.651 1.00 34.54 N ATOM 0 H LYS A 43 14.779 -3.538 -13.866 1.00 31.25 H new ATOM 0 HA LYS A 43 14.401 -2.834 -11.011 1.00 4.42 H new ATOM 0 HB2 LYS A 43 15.257 -1.235 -13.481 1.00 55.22 H new ATOM 0 HB3 LYS A 43 15.086 -0.554 -11.875 1.00 55.22 H new ATOM 0 HG2 LYS A 43 16.933 -1.920 -11.023 1.00 2.33 H new ATOM 0 HG3 LYS A 43 17.028 -2.818 -12.526 1.00 2.33 H new ATOM 0 HD2 LYS A 43 18.838 -1.155 -12.439 1.00 53.10 H new ATOM 0 HD3 LYS A 43 17.731 -0.756 -13.739 1.00 53.10 H new ATOM 0 HE2 LYS A 43 16.623 0.944 -12.245 1.00 2.31 H new ATOM 0 HE3 LYS A 43 17.782 0.569 -10.984 1.00 2.31 H new ATOM 0 HZ1 LYS A 43 18.441 2.519 -12.227 1.00 34.54 H new ATOM 0 HZ2 LYS A 43 19.572 1.274 -12.458 1.00 34.54 H new ATOM 0 HZ3 LYS A 43 18.450 1.638 -13.679 1.00 34.54 H new ATOM 701 N THR A 44 12.120 -2.678 -13.210 1.00 1.42 N ATOM 702 CA THR A 44 10.744 -2.284 -13.590 1.00 11.23 C ATOM 703 C THR A 44 9.807 -3.515 -13.628 1.00 51.55 C ATOM 704 O THR A 44 10.235 -4.617 -13.972 1.00 71.35 O ATOM 705 CB THR A 44 10.736 -1.552 -14.984 1.00 31.05 C ATOM 706 OG1 THR A 44 11.530 -0.356 -14.910 1.00 54.52 O ATOM 707 CG2 THR A 44 9.319 -1.177 -15.459 1.00 50.25 C ATOM 0 H THR A 44 12.458 -3.496 -13.717 1.00 1.42 H new ATOM 0 HA THR A 44 10.375 -1.592 -12.833 1.00 11.23 H new ATOM 0 HB THR A 44 11.152 -2.254 -15.707 1.00 31.05 H new ATOM 0 HG1 THR A 44 11.790 -0.080 -15.813 1.00 54.52 H new ATOM 0 HG21 THR A 44 9.380 -0.676 -16.425 1.00 50.25 H new ATOM 0 HG22 THR A 44 8.717 -2.080 -15.556 1.00 50.25 H new ATOM 0 HG23 THR A 44 8.856 -0.509 -14.732 1.00 50.25 H new ATOM 715 N VAL A 45 8.528 -3.304 -13.254 1.00 24.01 N ATOM 716 CA VAL A 45 7.479 -4.348 -13.226 1.00 43.14 C ATOM 717 C VAL A 45 6.346 -4.027 -14.255 1.00 55.34 C ATOM 718 O VAL A 45 5.631 -3.035 -14.118 1.00 15.35 O ATOM 719 CB VAL A 45 6.879 -4.476 -11.774 1.00 51.14 C ATOM 720 CG1 VAL A 45 5.797 -5.573 -11.707 1.00 5.33 C ATOM 721 CG2 VAL A 45 7.997 -4.738 -10.728 1.00 35.35 C ATOM 0 H VAL A 45 8.188 -2.389 -12.958 1.00 24.01 H new ATOM 0 HA VAL A 45 7.933 -5.298 -13.506 1.00 43.14 H new ATOM 0 HB VAL A 45 6.404 -3.525 -11.531 1.00 51.14 H new ATOM 0 HG11 VAL A 45 5.404 -5.635 -10.692 1.00 5.33 H new ATOM 0 HG12 VAL A 45 4.988 -5.328 -12.395 1.00 5.33 H new ATOM 0 HG13 VAL A 45 6.233 -6.532 -11.986 1.00 5.33 H new ATOM 0 HG21 VAL A 45 7.554 -4.822 -9.736 1.00 35.35 H new ATOM 0 HG22 VAL A 45 8.515 -5.665 -10.974 1.00 35.35 H new ATOM 0 HG23 VAL A 45 8.707 -3.911 -10.740 1.00 35.35 H new ATOM 731 N THR A 46 6.196 -4.890 -15.276 1.00 43.32 N ATOM 732 CA THR A 46 5.206 -4.732 -16.373 1.00 33.43 C ATOM 733 C THR A 46 3.883 -5.499 -16.084 1.00 73.35 C ATOM 734 O THR A 46 3.893 -6.724 -15.934 1.00 34.14 O ATOM 735 CB THR A 46 5.820 -5.251 -17.718 1.00 0.35 C ATOM 736 OG1 THR A 46 7.052 -4.551 -17.980 1.00 13.15 O ATOM 737 CG2 THR A 46 4.874 -5.066 -18.923 1.00 12.35 C ATOM 0 H THR A 46 6.765 -5.732 -15.370 1.00 43.32 H new ATOM 0 HA THR A 46 4.969 -3.671 -16.448 1.00 33.43 H new ATOM 0 HB THR A 46 5.991 -6.321 -17.599 1.00 0.35 H new ATOM 0 HG1 THR A 46 7.519 -4.979 -18.727 1.00 13.15 H new ATOM 0 HG21 THR A 46 5.355 -5.444 -19.825 1.00 12.35 H new ATOM 0 HG22 THR A 46 3.949 -5.616 -18.747 1.00 12.35 H new ATOM 0 HG23 THR A 46 4.648 -4.007 -19.049 1.00 12.35 H new ATOM 745 N PHE A 47 2.752 -4.771 -16.007 1.00 33.42 N ATOM 746 CA PHE A 47 1.400 -5.368 -15.837 1.00 45.20 C ATOM 747 C PHE A 47 0.715 -5.518 -17.212 1.00 23.24 C ATOM 748 O PHE A 47 0.265 -4.521 -17.786 1.00 34.20 O ATOM 749 CB PHE A 47 0.514 -4.475 -14.922 1.00 64.23 C ATOM 750 CG PHE A 47 1.210 -4.004 -13.653 1.00 11.32 C ATOM 751 CD1 PHE A 47 1.494 -4.888 -12.626 1.00 60.32 C ATOM 752 CD2 PHE A 47 1.589 -2.674 -13.501 1.00 44.13 C ATOM 753 CE1 PHE A 47 2.135 -4.459 -11.482 1.00 32.34 C ATOM 754 CE2 PHE A 47 2.233 -2.241 -12.359 1.00 64.22 C ATOM 755 CZ PHE A 47 2.507 -3.135 -11.346 1.00 75.02 C ATOM 0 H PHE A 47 2.743 -3.752 -16.060 1.00 33.42 H new ATOM 0 HA PHE A 47 1.517 -6.347 -15.372 1.00 45.20 H new ATOM 0 HB2 PHE A 47 0.187 -3.604 -15.489 1.00 64.23 H new ATOM 0 HB3 PHE A 47 -0.382 -5.031 -14.647 1.00 64.23 H new ATOM 0 HD1 PHE A 47 1.210 -5.926 -12.721 1.00 60.32 H new ATOM 0 HD2 PHE A 47 1.376 -1.968 -14.290 1.00 44.13 H new ATOM 0 HE1 PHE A 47 2.347 -5.161 -10.689 1.00 32.34 H new ATOM 0 HE2 PHE A 47 2.521 -1.205 -12.260 1.00 64.22 H new ATOM 0 HZ PHE A 47 3.010 -2.802 -10.450 1.00 75.02 H new ATOM 765 N CYS A 48 0.630 -6.751 -17.735 1.00 33.11 N ATOM 766 CA CYS A 48 0.031 -7.017 -19.073 1.00 40.35 C ATOM 767 C CYS A 48 -1.395 -7.580 -18.919 1.00 71.44 C ATOM 768 O CYS A 48 -1.556 -8.728 -18.487 1.00 12.03 O ATOM 769 CB CYS A 48 0.922 -8.002 -19.866 1.00 24.42 C ATOM 770 SG CYS A 48 2.545 -7.326 -20.284 1.00 34.13 S ATOM 0 H CYS A 48 0.966 -7.588 -17.259 1.00 33.11 H new ATOM 0 HA CYS A 48 -0.029 -6.079 -19.626 1.00 40.35 H new ATOM 0 HB2 CYS A 48 1.056 -8.912 -19.280 1.00 24.42 H new ATOM 0 HB3 CYS A 48 0.408 -8.287 -20.784 1.00 24.42 H new ATOM 0 HG CYS A 48 3.228 -8.214 -20.944 1.00 34.13 H new ATOM 776 N TRP A 49 -2.408 -6.753 -19.283 1.00 4.53 N ATOM 777 CA TRP A 49 -3.854 -7.100 -19.184 1.00 10.12 C ATOM 778 C TRP A 49 -4.748 -5.915 -19.624 1.00 45.21 C ATOM 779 O TRP A 49 -4.286 -4.766 -19.683 1.00 33.21 O ATOM 780 CB TRP A 49 -4.254 -7.541 -17.742 1.00 10.15 C ATOM 781 CG TRP A 49 -4.133 -6.473 -16.670 1.00 23.54 C ATOM 782 CD1 TRP A 49 -2.986 -5.956 -16.141 1.00 2.32 C ATOM 783 CD2 TRP A 49 -5.213 -5.807 -15.998 1.00 53.31 C ATOM 784 NE1 TRP A 49 -3.290 -5.029 -15.178 1.00 40.25 N ATOM 785 CE2 TRP A 49 -4.647 -4.918 -15.075 1.00 53.14 C ATOM 786 CE3 TRP A 49 -6.606 -5.884 -16.095 1.00 64.44 C ATOM 787 CZ2 TRP A 49 -5.421 -4.111 -14.246 1.00 21.10 C ATOM 788 CZ3 TRP A 49 -7.376 -5.081 -15.277 1.00 4.24 C ATOM 789 CH2 TRP A 49 -6.782 -4.203 -14.361 1.00 11.15 C ATOM 0 H TRP A 49 -2.245 -5.818 -19.657 1.00 4.53 H new ATOM 0 HA TRP A 49 -4.014 -7.941 -19.858 1.00 10.12 H new ATOM 0 HB2 TRP A 49 -5.285 -7.894 -17.763 1.00 10.15 H new ATOM 0 HB3 TRP A 49 -3.632 -8.389 -17.456 1.00 10.15 H new ATOM 0 HD1 TRP A 49 -1.986 -6.236 -16.437 1.00 2.32 H new ATOM 0 HE1 TRP A 49 -2.611 -4.505 -14.626 1.00 40.25 H new ATOM 0 HE3 TRP A 49 -7.071 -6.560 -16.797 1.00 64.44 H new ATOM 0 HZ2 TRP A 49 -4.964 -3.436 -13.537 1.00 21.10 H new ATOM 0 HZ3 TRP A 49 -8.453 -5.131 -15.344 1.00 4.24 H new ATOM 0 HH2 TRP A 49 -7.410 -3.587 -13.734 1.00 11.15 H new ATOM 800 N GLY A 50 -6.044 -6.214 -19.871 1.00 54.03 N ATOM 801 CA GLY A 50 -7.030 -5.202 -20.278 1.00 75.33 C ATOM 802 C GLY A 50 -6.770 -4.638 -21.679 1.00 24.15 C ATOM 803 O GLY A 50 -6.251 -3.518 -21.809 1.00 14.33 O ATOM 0 H GLY A 50 -6.427 -7.156 -19.793 1.00 54.03 H new ATOM 0 HA2 GLY A 50 -8.027 -5.642 -20.249 1.00 75.33 H new ATOM 0 HA3 GLY A 50 -7.022 -4.385 -19.557 1.00 75.33 H new ATOM 807 N LYS A 51 -7.135 -5.435 -22.716 1.00 2.12 N ATOM 808 CA LYS A 51 -6.856 -5.127 -24.147 1.00 54.43 C ATOM 809 C LYS A 51 -5.326 -5.067 -24.437 1.00 1.54 C ATOM 810 O LYS A 51 -4.515 -5.572 -23.650 1.00 34.32 O ATOM 811 CB LYS A 51 -7.591 -3.814 -24.584 1.00 61.43 C ATOM 812 CG LYS A 51 -9.130 -3.925 -24.661 1.00 23.42 C ATOM 813 CD LYS A 51 -9.600 -4.878 -25.790 1.00 2.33 C ATOM 814 CE LYS A 51 -11.132 -4.945 -25.914 1.00 71.15 C ATOM 815 NZ LYS A 51 -11.762 -5.552 -24.712 1.00 54.02 N ATOM 0 H LYS A 51 -7.634 -6.315 -22.584 1.00 2.12 H new ATOM 0 HA LYS A 51 -7.253 -5.943 -24.751 1.00 54.43 H new ATOM 0 HB2 LYS A 51 -7.333 -3.020 -23.883 1.00 61.43 H new ATOM 0 HB3 LYS A 51 -7.214 -3.512 -25.561 1.00 61.43 H new ATOM 0 HG2 LYS A 51 -9.514 -4.282 -23.705 1.00 23.42 H new ATOM 0 HG3 LYS A 51 -9.555 -2.935 -24.825 1.00 23.42 H new ATOM 0 HD2 LYS A 51 -9.177 -4.547 -26.738 1.00 2.33 H new ATOM 0 HD3 LYS A 51 -9.211 -5.878 -25.600 1.00 2.33 H new ATOM 0 HE2 LYS A 51 -11.528 -3.940 -26.063 1.00 71.15 H new ATOM 0 HE3 LYS A 51 -11.399 -5.527 -26.796 1.00 71.15 H new ATOM 0 HZ1 LYS A 51 -12.789 -5.625 -24.858 1.00 54.02 H new ATOM 0 HZ2 LYS A 51 -11.367 -6.501 -24.555 1.00 54.02 H new ATOM 0 HZ3 LYS A 51 -11.572 -4.956 -23.882 1.00 54.02 H new ATOM 829 N THR A 52 -4.940 -4.491 -25.595 1.00 72.34 N ATOM 830 CA THR A 52 -3.516 -4.273 -25.940 1.00 61.41 C ATOM 831 C THR A 52 -2.960 -3.046 -25.168 1.00 43.20 C ATOM 832 O THR A 52 -2.912 -1.927 -25.694 1.00 32.21 O ATOM 833 CB THR A 52 -3.315 -4.105 -27.493 1.00 12.01 C ATOM 834 OG1 THR A 52 -3.929 -5.205 -28.188 1.00 42.44 O ATOM 835 CG2 THR A 52 -1.827 -4.036 -27.899 1.00 63.31 C ATOM 0 H THR A 52 -5.594 -4.168 -26.308 1.00 72.34 H new ATOM 0 HA THR A 52 -2.955 -5.157 -25.638 1.00 61.41 H new ATOM 0 HB THR A 52 -3.783 -3.160 -27.768 1.00 12.01 H new ATOM 0 HG1 THR A 52 -3.802 -5.094 -29.153 1.00 42.44 H new ATOM 0 HG21 THR A 52 -1.750 -3.920 -28.980 1.00 63.31 H new ATOM 0 HG22 THR A 52 -1.355 -3.185 -27.408 1.00 63.31 H new ATOM 0 HG23 THR A 52 -1.324 -4.954 -27.596 1.00 63.31 H new ATOM 843 N GLU A 53 -2.606 -3.269 -23.886 1.00 44.21 N ATOM 844 CA GLU A 53 -1.993 -2.244 -23.024 1.00 52.05 C ATOM 845 C GLU A 53 -1.245 -2.902 -21.839 1.00 22.51 C ATOM 846 O GLU A 53 -1.755 -3.809 -21.173 1.00 14.42 O ATOM 847 CB GLU A 53 -3.057 -1.227 -22.503 1.00 24.31 C ATOM 848 CG GLU A 53 -2.461 -0.056 -21.685 1.00 23.31 C ATOM 849 CD GLU A 53 -3.489 1.030 -21.317 1.00 40.43 C ATOM 850 OE1 GLU A 53 -3.801 1.879 -22.176 1.00 14.13 O ATOM 851 OE2 GLU A 53 -3.990 1.039 -20.174 1.00 54.53 O ATOM 0 H GLU A 53 -2.738 -4.167 -23.421 1.00 44.21 H new ATOM 0 HA GLU A 53 -1.272 -1.693 -23.627 1.00 52.05 H new ATOM 0 HB2 GLU A 53 -3.604 -0.821 -23.354 1.00 24.31 H new ATOM 0 HB3 GLU A 53 -3.780 -1.758 -21.884 1.00 24.31 H new ATOM 0 HG2 GLU A 53 -2.020 -0.451 -20.770 1.00 23.31 H new ATOM 0 HG3 GLU A 53 -1.653 0.400 -22.257 1.00 23.31 H new ATOM 858 N GLN A 54 -0.023 -2.421 -21.599 1.00 21.34 N ATOM 859 CA GLN A 54 0.857 -2.885 -20.510 1.00 4.42 C ATOM 860 C GLN A 54 1.372 -1.673 -19.714 1.00 55.30 C ATOM 861 O GLN A 54 1.739 -0.643 -20.290 1.00 21.22 O ATOM 862 CB GLN A 54 2.032 -3.744 -21.078 1.00 63.21 C ATOM 863 CG GLN A 54 3.039 -3.026 -22.025 1.00 55.44 C ATOM 864 CD GLN A 54 2.451 -2.565 -23.368 1.00 61.41 C ATOM 865 OE1 GLN A 54 1.989 -1.438 -23.508 1.00 54.12 O ATOM 866 NE2 GLN A 54 2.432 -3.441 -24.353 1.00 10.14 N ATOM 0 H GLN A 54 0.396 -1.683 -22.165 1.00 21.34 H new ATOM 0 HA GLN A 54 0.290 -3.524 -19.834 1.00 4.42 H new ATOM 0 HB2 GLN A 54 2.591 -4.152 -20.236 1.00 63.21 H new ATOM 0 HB3 GLN A 54 1.604 -4.589 -21.617 1.00 63.21 H new ATOM 0 HG2 GLN A 54 3.447 -2.158 -21.507 1.00 55.44 H new ATOM 0 HG3 GLN A 54 3.873 -3.700 -22.223 1.00 55.44 H new ATOM 0 HE21 GLN A 54 2.822 -4.373 -24.214 1.00 10.14 H new ATOM 0 HE22 GLN A 54 2.027 -3.187 -25.254 1.00 10.14 H new ATOM 875 N ARG A 55 1.382 -1.789 -18.376 1.00 22.04 N ATOM 876 CA ARG A 55 1.720 -0.672 -17.480 1.00 15.41 C ATOM 877 C ARG A 55 3.035 -0.991 -16.768 1.00 71.32 C ATOM 878 O ARG A 55 3.099 -1.865 -15.921 1.00 52.03 O ATOM 879 CB ARG A 55 0.575 -0.413 -16.455 1.00 34.43 C ATOM 880 CG ARG A 55 -0.800 -0.078 -17.096 1.00 21.00 C ATOM 881 CD ARG A 55 -1.614 -1.334 -17.498 1.00 11.24 C ATOM 882 NE ARG A 55 -2.876 -1.000 -18.185 1.00 61.02 N ATOM 883 CZ ARG A 55 -4.013 -1.658 -18.072 1.00 23.24 C ATOM 884 NH1 ARG A 55 -4.145 -2.652 -17.246 1.00 72.25 N ATOM 885 NH2 ARG A 55 -5.030 -1.293 -18.781 1.00 64.54 N ATOM 0 H ARG A 55 1.157 -2.656 -17.887 1.00 22.04 H new ATOM 0 HA ARG A 55 1.839 0.240 -18.065 1.00 15.41 H new ATOM 0 HB2 ARG A 55 0.462 -1.295 -15.825 1.00 34.43 H new ATOM 0 HB3 ARG A 55 0.868 0.410 -15.803 1.00 34.43 H new ATOM 0 HG2 ARG A 55 -1.385 0.516 -16.393 1.00 21.00 H new ATOM 0 HG3 ARG A 55 -0.640 0.540 -17.979 1.00 21.00 H new ATOM 0 HD2 ARG A 55 -1.006 -1.962 -18.149 1.00 11.24 H new ATOM 0 HD3 ARG A 55 -1.835 -1.919 -16.606 1.00 11.24 H new ATOM 0 HE ARG A 55 -2.868 -0.188 -18.802 1.00 61.02 H new ATOM 0 HH11 ARG A 55 -3.358 -2.940 -16.665 1.00 72.25 H new ATOM 0 HH12 ARG A 55 -5.036 -3.144 -17.178 1.00 72.25 H new ATOM 0 HH21 ARG A 55 -4.949 -0.503 -19.421 1.00 64.54 H new ATOM 0 HH22 ARG A 55 -5.914 -1.795 -18.701 1.00 64.54 H new ATOM 899 N GLN A 56 4.087 -0.286 -17.145 1.00 54.12 N ATOM 900 CA GLN A 56 5.447 -0.555 -16.634 1.00 21.11 C ATOM 901 C GLN A 56 5.796 0.435 -15.507 1.00 24.10 C ATOM 902 O GLN A 56 5.887 1.640 -15.744 1.00 24.40 O ATOM 903 CB GLN A 56 6.471 -0.490 -17.795 1.00 64.44 C ATOM 904 CG GLN A 56 6.138 -1.419 -18.986 1.00 24.33 C ATOM 905 CD GLN A 56 7.243 -1.479 -20.042 1.00 63.14 C ATOM 906 OE1 GLN A 56 7.267 -0.694 -20.978 1.00 71.11 O ATOM 907 NE2 GLN A 56 8.166 -2.414 -19.897 1.00 4.41 N ATOM 0 H GLN A 56 4.038 0.487 -17.809 1.00 54.12 H new ATOM 0 HA GLN A 56 5.485 -1.560 -16.213 1.00 21.11 H new ATOM 0 HB2 GLN A 56 6.530 0.537 -18.155 1.00 64.44 H new ATOM 0 HB3 GLN A 56 7.457 -0.750 -17.410 1.00 64.44 H new ATOM 0 HG2 GLN A 56 5.951 -2.425 -18.610 1.00 24.33 H new ATOM 0 HG3 GLN A 56 5.216 -1.077 -19.456 1.00 24.33 H new ATOM 0 HE21 GLN A 56 8.121 -3.056 -19.106 1.00 4.41 H new ATOM 0 HE22 GLN A 56 8.923 -2.493 -20.576 1.00 4.41 H new ATOM 916 N ALA A 57 5.960 -0.084 -14.274 1.00 61.10 N ATOM 917 CA ALA A 57 6.272 0.729 -13.080 1.00 73.12 C ATOM 918 C ALA A 57 7.587 0.260 -12.416 1.00 53.15 C ATOM 919 O ALA A 57 7.667 -0.857 -11.895 1.00 71.23 O ATOM 920 CB ALA A 57 5.101 0.662 -12.076 1.00 45.13 C ATOM 0 H ALA A 57 5.880 -1.082 -14.077 1.00 61.10 H new ATOM 0 HA ALA A 57 6.409 1.764 -13.394 1.00 73.12 H new ATOM 0 HB1 ALA A 57 5.339 1.264 -11.199 1.00 45.13 H new ATOM 0 HB2 ALA A 57 4.196 1.047 -12.546 1.00 45.13 H new ATOM 0 HB3 ALA A 57 4.940 -0.373 -11.773 1.00 45.13 H new ATOM 926 N GLY A 58 8.600 1.143 -12.412 1.00 41.33 N ATOM 927 CA GLY A 58 9.896 0.861 -11.801 1.00 24.44 C ATOM 928 C GLY A 58 9.928 1.095 -10.291 1.00 61.54 C ATOM 929 O GLY A 58 9.183 1.923 -9.774 1.00 0.51 O ATOM 0 H GLY A 58 8.537 2.070 -12.834 1.00 41.33 H new ATOM 0 HA2 GLY A 58 10.166 -0.175 -12.005 1.00 24.44 H new ATOM 0 HA3 GLY A 58 10.654 1.487 -12.273 1.00 24.44 H new ATOM 933 N ILE A 59 10.813 0.369 -9.589 1.00 63.10 N ATOM 934 CA ILE A 59 11.004 0.523 -8.129 1.00 41.54 C ATOM 935 C ILE A 59 11.753 1.852 -7.838 1.00 72.12 C ATOM 936 O ILE A 59 12.808 2.109 -8.431 1.00 21.45 O ATOM 937 CB ILE A 59 11.808 -0.695 -7.493 1.00 31.12 C ATOM 938 CG1 ILE A 59 11.049 -2.069 -7.643 1.00 52.31 C ATOM 939 CG2 ILE A 59 12.147 -0.429 -5.994 1.00 74.13 C ATOM 940 CD1 ILE A 59 11.016 -2.676 -9.045 1.00 34.13 C ATOM 0 H ILE A 59 11.415 -0.338 -10.010 1.00 63.10 H new ATOM 0 HA ILE A 59 10.016 0.538 -7.669 1.00 41.54 H new ATOM 0 HB ILE A 59 12.738 -0.773 -8.057 1.00 31.12 H new ATOM 0 HG12 ILE A 59 11.511 -2.790 -6.969 1.00 52.31 H new ATOM 0 HG13 ILE A 59 10.022 -1.931 -7.306 1.00 52.31 H new ATOM 0 HG21 ILE A 59 12.696 -1.279 -5.589 1.00 74.13 H new ATOM 0 HG22 ILE A 59 12.758 0.470 -5.913 1.00 74.13 H new ATOM 0 HG23 ILE A 59 11.224 -0.292 -5.431 1.00 74.13 H new ATOM 0 HD11 ILE A 59 10.467 -3.617 -9.021 1.00 34.13 H new ATOM 0 HD12 ILE A 59 10.522 -1.986 -9.729 1.00 34.13 H new ATOM 0 HD13 ILE A 59 12.035 -2.859 -9.387 1.00 34.13 H new ATOM 952 N VAL A 60 11.205 2.688 -6.933 1.00 35.24 N ATOM 953 CA VAL A 60 11.873 3.936 -6.489 1.00 33.12 C ATOM 954 C VAL A 60 12.779 3.619 -5.283 1.00 32.54 C ATOM 955 O VAL A 60 13.987 3.870 -5.303 1.00 33.22 O ATOM 956 CB VAL A 60 10.838 5.054 -6.065 1.00 74.11 C ATOM 957 CG1 VAL A 60 11.551 6.390 -5.714 1.00 51.41 C ATOM 958 CG2 VAL A 60 9.774 5.263 -7.155 1.00 25.43 C ATOM 0 H VAL A 60 10.300 2.524 -6.492 1.00 35.24 H new ATOM 0 HA VAL A 60 12.452 4.317 -7.330 1.00 33.12 H new ATOM 0 HB VAL A 60 10.333 4.708 -5.163 1.00 74.11 H new ATOM 0 HG11 VAL A 60 10.808 7.134 -5.427 1.00 51.41 H new ATOM 0 HG12 VAL A 60 12.241 6.228 -4.886 1.00 51.41 H new ATOM 0 HG13 VAL A 60 12.105 6.746 -6.583 1.00 51.41 H new ATOM 0 HG21 VAL A 60 9.075 6.037 -6.838 1.00 25.43 H new ATOM 0 HG22 VAL A 60 10.258 5.569 -8.082 1.00 25.43 H new ATOM 0 HG23 VAL A 60 9.233 4.331 -7.319 1.00 25.43 H new ATOM 968 N ALA A 61 12.157 3.034 -4.242 1.00 41.35 N ATOM 969 CA ALA A 61 12.835 2.662 -2.992 1.00 52.22 C ATOM 970 C ALA A 61 12.078 1.511 -2.286 1.00 1.35 C ATOM 971 O ALA A 61 10.839 1.458 -2.322 1.00 12.14 O ATOM 972 CB ALA A 61 12.960 3.889 -2.067 1.00 34.22 C ATOM 0 H ALA A 61 11.163 2.806 -4.248 1.00 41.35 H new ATOM 0 HA ALA A 61 13.839 2.309 -3.229 1.00 52.22 H new ATOM 0 HB1 ALA A 61 13.464 3.600 -1.145 1.00 34.22 H new ATOM 0 HB2 ALA A 61 13.538 4.665 -2.568 1.00 34.22 H new ATOM 0 HB3 ALA A 61 11.966 4.271 -1.833 1.00 34.22 H new ATOM 978 N ILE A 62 12.844 0.610 -1.648 1.00 50.32 N ATOM 979 CA ILE A 62 12.310 -0.550 -0.896 1.00 2.34 C ATOM 980 C ILE A 62 13.394 -1.125 0.057 1.00 33.01 C ATOM 981 O ILE A 62 14.574 -1.167 -0.295 1.00 4.00 O ATOM 982 CB ILE A 62 11.767 -1.698 -1.849 1.00 31.34 C ATOM 983 CG1 ILE A 62 11.147 -2.873 -1.013 1.00 4.41 C ATOM 984 CG2 ILE A 62 12.869 -2.206 -2.820 1.00 71.12 C ATOM 985 CD1 ILE A 62 10.650 -4.060 -1.820 1.00 30.13 C ATOM 0 H ILE A 62 13.863 0.663 -1.637 1.00 50.32 H new ATOM 0 HA ILE A 62 11.465 -0.184 -0.313 1.00 2.34 H new ATOM 0 HB ILE A 62 10.974 -1.272 -2.463 1.00 31.34 H new ATOM 0 HG12 ILE A 62 11.896 -3.226 -0.304 1.00 4.41 H new ATOM 0 HG13 ILE A 62 10.315 -2.480 -0.428 1.00 4.41 H new ATOM 0 HG21 ILE A 62 12.460 -2.991 -3.456 1.00 71.12 H new ATOM 0 HG22 ILE A 62 13.216 -1.380 -3.441 1.00 71.12 H new ATOM 0 HG23 ILE A 62 13.705 -2.604 -2.245 1.00 71.12 H new ATOM 0 HD11 ILE A 62 10.242 -4.813 -1.146 1.00 30.13 H new ATOM 0 HD12 ILE A 62 9.873 -3.731 -2.510 1.00 30.13 H new ATOM 0 HD13 ILE A 62 11.478 -4.489 -2.384 1.00 30.13 H new ATOM 997 N ARG A 63 12.963 -1.585 1.252 1.00 15.22 N ATOM 998 CA ARG A 63 13.834 -2.290 2.247 1.00 2.12 C ATOM 999 C ARG A 63 12.956 -3.250 3.086 1.00 32.34 C ATOM 1000 O ARG A 63 12.239 -2.812 3.998 1.00 32.42 O ATOM 1001 CB ARG A 63 14.638 -1.318 3.192 1.00 60.44 C ATOM 1002 CG ARG A 63 15.750 -0.495 2.491 1.00 52.31 C ATOM 1003 CD ARG A 63 16.646 0.310 3.458 1.00 14.31 C ATOM 1004 NE ARG A 63 17.580 -0.552 4.213 1.00 32.31 N ATOM 1005 CZ ARG A 63 18.883 -0.640 4.005 1.00 43.34 C ATOM 1006 NH1 ARG A 63 19.463 0.003 3.034 1.00 41.34 N ATOM 1007 NH2 ARG A 63 19.589 -1.413 4.754 1.00 2.12 N ATOM 0 H ARG A 63 11.998 -1.482 1.565 1.00 15.22 H new ATOM 0 HA ARG A 63 14.587 -2.841 1.684 1.00 2.12 H new ATOM 0 HB2 ARG A 63 13.936 -0.628 3.660 1.00 60.44 H new ATOM 0 HB3 ARG A 63 15.090 -1.904 3.992 1.00 60.44 H new ATOM 0 HG2 ARG A 63 16.377 -1.172 1.911 1.00 52.31 H new ATOM 0 HG3 ARG A 63 15.286 0.194 1.785 1.00 52.31 H new ATOM 0 HD2 ARG A 63 17.214 1.048 2.892 1.00 14.31 H new ATOM 0 HD3 ARG A 63 16.017 0.860 4.158 1.00 14.31 H new ATOM 0 HE ARG A 63 17.186 -1.128 4.957 1.00 32.31 H new ATOM 0 HH11 ARG A 63 18.911 0.592 2.411 1.00 41.34 H new ATOM 0 HH12 ARG A 63 20.470 -0.082 2.896 1.00 41.34 H new ATOM 0 HH21 ARG A 63 19.142 -1.949 5.498 1.00 2.12 H new ATOM 0 HH22 ARG A 63 20.595 -1.489 4.603 1.00 2.12 H new ATOM 1021 N ALA A 64 13.038 -4.560 2.745 1.00 20.31 N ATOM 1022 CA ALA A 64 12.212 -5.651 3.316 1.00 42.42 C ATOM 1023 C ALA A 64 10.675 -5.355 3.263 1.00 64.12 C ATOM 1024 O ALA A 64 10.000 -5.767 2.314 1.00 24.13 O ATOM 1025 CB ALA A 64 12.696 -6.032 4.726 1.00 1.12 C ATOM 0 H ALA A 64 13.700 -4.895 2.045 1.00 20.31 H new ATOM 0 HA ALA A 64 12.353 -6.522 2.676 1.00 42.42 H new ATOM 0 HB1 ALA A 64 12.072 -6.834 5.120 1.00 1.12 H new ATOM 0 HB2 ALA A 64 13.732 -6.368 4.677 1.00 1.12 H new ATOM 0 HB3 ALA A 64 12.627 -5.164 5.381 1.00 1.12 H new ATOM 1031 N TYR A 65 10.146 -4.617 4.270 1.00 71.10 N ATOM 1032 CA TYR A 65 8.709 -4.209 4.324 1.00 55.31 C ATOM 1033 C TYR A 65 8.507 -2.876 5.107 1.00 51.41 C ATOM 1034 O TYR A 65 7.370 -2.418 5.275 1.00 44.33 O ATOM 1035 CB TYR A 65 7.841 -5.348 4.934 1.00 0.11 C ATOM 1036 CG TYR A 65 8.147 -5.679 6.407 1.00 43.23 C ATOM 1037 CD1 TYR A 65 9.216 -6.506 6.758 1.00 72.32 C ATOM 1038 CD2 TYR A 65 7.361 -5.165 7.443 1.00 51.15 C ATOM 1039 CE1 TYR A 65 9.487 -6.803 8.080 1.00 52.24 C ATOM 1040 CE2 TYR A 65 7.629 -5.462 8.763 1.00 62.25 C ATOM 1041 CZ TYR A 65 8.689 -6.279 9.079 1.00 35.34 C ATOM 1042 OH TYR A 65 8.950 -6.583 10.401 1.00 61.40 O ATOM 0 H TYR A 65 10.694 -4.287 5.065 1.00 71.10 H new ATOM 0 HA TYR A 65 8.382 -4.030 3.300 1.00 55.31 H new ATOM 0 HB2 TYR A 65 6.791 -5.069 4.850 1.00 0.11 H new ATOM 0 HB3 TYR A 65 7.980 -6.250 4.338 1.00 0.11 H new ATOM 0 HD1 TYR A 65 9.842 -6.921 5.982 1.00 72.32 H new ATOM 0 HD2 TYR A 65 6.527 -4.522 7.205 1.00 51.15 H new ATOM 0 HE1 TYR A 65 10.320 -7.443 8.332 1.00 52.24 H new ATOM 0 HE2 TYR A 65 7.008 -5.054 9.547 1.00 62.25 H new ATOM 0 HH TYR A 65 8.296 -6.133 10.975 1.00 61.40 H new ATOM 1052 N SER A 66 9.621 -2.255 5.579 1.00 31.30 N ATOM 1053 CA SER A 66 9.591 -0.927 6.272 1.00 4.34 C ATOM 1054 C SER A 66 9.177 0.230 5.330 1.00 35.02 C ATOM 1055 O SER A 66 8.863 1.323 5.812 1.00 60.51 O ATOM 1056 CB SER A 66 10.967 -0.603 6.915 1.00 24.12 C ATOM 1057 OG SER A 66 11.234 -1.426 8.044 1.00 30.34 O ATOM 0 H SER A 66 10.557 -2.651 5.494 1.00 31.30 H new ATOM 0 HA SER A 66 8.833 -1.009 7.051 1.00 4.34 H new ATOM 0 HB2 SER A 66 11.755 -0.738 6.174 1.00 24.12 H new ATOM 0 HB3 SER A 66 10.989 0.444 7.216 1.00 24.12 H new ATOM 0 HG SER A 66 12.109 -1.193 8.419 1.00 30.34 H new ATOM 1063 N PHE A 67 9.206 -0.026 4.002 1.00 73.32 N ATOM 1064 CA PHE A 67 8.719 0.904 2.953 1.00 13.24 C ATOM 1065 C PHE A 67 8.868 0.270 1.552 1.00 63.32 C ATOM 1066 O PHE A 67 9.834 -0.458 1.289 1.00 31.24 O ATOM 1067 CB PHE A 67 9.410 2.305 2.989 1.00 12.42 C ATOM 1068 CG PHE A 67 10.933 2.332 2.801 1.00 10.12 C ATOM 1069 CD1 PHE A 67 11.501 2.436 1.529 1.00 51.21 C ATOM 1070 CD2 PHE A 67 11.794 2.289 3.897 1.00 55.41 C ATOM 1071 CE1 PHE A 67 12.867 2.495 1.366 1.00 3.24 C ATOM 1072 CE2 PHE A 67 13.164 2.343 3.727 1.00 22.14 C ATOM 1073 CZ PHE A 67 13.698 2.448 2.460 1.00 75.24 C ATOM 0 H PHE A 67 9.574 -0.898 3.621 1.00 73.32 H new ATOM 0 HA PHE A 67 7.664 1.075 3.168 1.00 13.24 H new ATOM 0 HB2 PHE A 67 8.961 2.925 2.213 1.00 12.42 H new ATOM 0 HB3 PHE A 67 9.178 2.774 3.945 1.00 12.42 H new ATOM 0 HD1 PHE A 67 10.859 2.471 0.661 1.00 51.21 H new ATOM 0 HD2 PHE A 67 11.384 2.212 4.893 1.00 55.41 H new ATOM 0 HE1 PHE A 67 13.287 2.579 0.375 1.00 3.24 H new ATOM 0 HE2 PHE A 67 13.817 2.303 4.586 1.00 22.14 H new ATOM 0 HZ PHE A 67 14.769 2.493 2.327 1.00 75.24 H new ATOM 1083 N ILE A 68 7.881 0.528 0.677 1.00 3.41 N ATOM 1084 CA ILE A 68 7.943 0.160 -0.754 1.00 62.00 C ATOM 1085 C ILE A 68 7.090 1.144 -1.603 1.00 11.44 C ATOM 1086 O ILE A 68 5.982 1.525 -1.202 1.00 50.44 O ATOM 1087 CB ILE A 68 7.492 -1.336 -0.995 1.00 34.41 C ATOM 1088 CG1 ILE A 68 7.689 -1.738 -2.502 1.00 42.15 C ATOM 1089 CG2 ILE A 68 6.044 -1.580 -0.506 1.00 45.23 C ATOM 1090 CD1 ILE A 68 7.202 -3.125 -2.875 1.00 23.22 C ATOM 0 H ILE A 68 7.015 0.998 0.939 1.00 3.41 H new ATOM 0 HA ILE A 68 8.982 0.236 -1.073 1.00 62.00 H new ATOM 0 HB ILE A 68 8.132 -1.985 -0.398 1.00 34.41 H new ATOM 0 HG12 ILE A 68 7.170 -1.010 -3.125 1.00 42.15 H new ATOM 0 HG13 ILE A 68 8.749 -1.667 -2.744 1.00 42.15 H new ATOM 0 HG21 ILE A 68 5.769 -2.619 -0.688 1.00 45.23 H new ATOM 0 HG22 ILE A 68 5.980 -1.369 0.562 1.00 45.23 H new ATOM 0 HG23 ILE A 68 5.362 -0.924 -1.047 1.00 45.23 H new ATOM 0 HD11 ILE A 68 7.385 -3.302 -3.935 1.00 23.22 H new ATOM 0 HD12 ILE A 68 7.737 -3.869 -2.285 1.00 23.22 H new ATOM 0 HD13 ILE A 68 6.134 -3.202 -2.673 1.00 23.22 H new ATOM 1102 N ARG A 69 7.634 1.578 -2.762 1.00 34.13 N ATOM 1103 CA ARG A 69 6.948 2.516 -3.689 1.00 11.15 C ATOM 1104 C ARG A 69 7.496 2.399 -5.130 1.00 44.24 C ATOM 1105 O ARG A 69 8.683 2.125 -5.340 1.00 71.33 O ATOM 1106 CB ARG A 69 7.011 4.004 -3.199 1.00 51.52 C ATOM 1107 CG ARG A 69 8.406 4.574 -2.788 1.00 4.13 C ATOM 1108 CD ARG A 69 8.847 4.140 -1.375 1.00 24.01 C ATOM 1109 NE ARG A 69 9.947 4.968 -0.844 1.00 22.00 N ATOM 1110 CZ ARG A 69 10.058 5.369 0.402 1.00 25.13 C ATOM 1111 NH1 ARG A 69 9.170 5.061 1.289 1.00 34.24 N ATOM 1112 NH2 ARG A 69 11.050 6.103 0.761 1.00 14.13 N ATOM 0 H ARG A 69 8.558 1.291 -3.084 1.00 34.13 H new ATOM 0 HA ARG A 69 5.899 2.219 -3.694 1.00 11.15 H new ATOM 0 HB2 ARG A 69 6.611 4.636 -3.992 1.00 51.52 H new ATOM 0 HB3 ARG A 69 6.342 4.104 -2.344 1.00 51.52 H new ATOM 0 HG2 ARG A 69 9.153 4.246 -3.511 1.00 4.13 H new ATOM 0 HG3 ARG A 69 8.374 5.663 -2.833 1.00 4.13 H new ATOM 0 HD2 ARG A 69 7.994 4.198 -0.699 1.00 24.01 H new ATOM 0 HD3 ARG A 69 9.162 3.097 -1.401 1.00 24.01 H new ATOM 0 HE ARG A 69 10.679 5.251 -1.496 1.00 22.00 H new ATOM 0 HH11 ARG A 69 8.362 4.495 1.027 1.00 34.24 H new ATOM 0 HH12 ARG A 69 9.277 5.383 2.251 1.00 34.24 H new ATOM 0 HH21 ARG A 69 11.756 6.377 0.077 1.00 14.13 H new ATOM 0 HH22 ARG A 69 11.132 6.412 1.730 1.00 14.13 H new ATOM 1126 N PHE A 70 6.596 2.619 -6.111 1.00 63.33 N ATOM 1127 CA PHE A 70 6.886 2.498 -7.562 1.00 24.02 C ATOM 1128 C PHE A 70 6.686 3.854 -8.296 1.00 23.33 C ATOM 1129 O PHE A 70 6.159 4.815 -7.725 1.00 4.43 O ATOM 1130 CB PHE A 70 5.972 1.411 -8.197 1.00 53.33 C ATOM 1131 CG PHE A 70 6.225 -0.015 -7.693 1.00 3.55 C ATOM 1132 CD1 PHE A 70 5.594 -0.499 -6.543 1.00 54.01 C ATOM 1133 CD2 PHE A 70 7.094 -0.871 -8.373 1.00 32.21 C ATOM 1134 CE1 PHE A 70 5.827 -1.786 -6.093 1.00 50.05 C ATOM 1135 CE2 PHE A 70 7.322 -2.159 -7.921 1.00 64.24 C ATOM 1136 CZ PHE A 70 6.689 -2.615 -6.782 1.00 2.43 C ATOM 0 H PHE A 70 5.632 2.890 -5.918 1.00 63.33 H new ATOM 0 HA PHE A 70 7.930 2.206 -7.673 1.00 24.02 H new ATOM 0 HB2 PHE A 70 4.932 1.671 -8.002 1.00 53.33 H new ATOM 0 HB3 PHE A 70 6.107 1.429 -9.278 1.00 53.33 H new ATOM 0 HD1 PHE A 70 4.915 0.141 -5.999 1.00 54.01 H new ATOM 0 HD2 PHE A 70 7.595 -0.523 -9.264 1.00 32.21 H new ATOM 0 HE1 PHE A 70 5.334 -2.143 -5.201 1.00 50.05 H new ATOM 0 HE2 PHE A 70 7.996 -2.808 -8.460 1.00 64.24 H new ATOM 0 HZ PHE A 70 6.868 -3.620 -6.430 1.00 2.43 H new ATOM 1146 N HIS A 71 7.123 3.902 -9.568 1.00 34.33 N ATOM 1147 CA HIS A 71 7.012 5.093 -10.451 1.00 1.40 C ATOM 1148 C HIS A 71 6.864 4.638 -11.914 1.00 25.41 C ATOM 1149 O HIS A 71 7.378 3.593 -12.287 1.00 41.45 O ATOM 1150 CB HIS A 71 8.241 6.040 -10.325 1.00 21.43 C ATOM 1151 CG HIS A 71 9.484 5.587 -11.061 1.00 65.01 C ATOM 1152 ND1 HIS A 71 9.829 6.065 -12.305 1.00 23.25 N ATOM 1153 CD2 HIS A 71 10.426 4.674 -10.745 1.00 60.51 C ATOM 1154 CE1 HIS A 71 10.929 5.479 -12.718 1.00 75.43 C ATOM 1155 NE2 HIS A 71 11.315 4.627 -11.791 1.00 43.41 N ATOM 0 H HIS A 71 7.570 3.107 -10.024 1.00 34.33 H new ATOM 0 HA HIS A 71 6.132 5.653 -10.135 1.00 1.40 H new ATOM 0 HB2 HIS A 71 7.959 7.026 -10.695 1.00 21.43 H new ATOM 0 HB3 HIS A 71 8.485 6.153 -9.269 1.00 21.43 H new ATOM 0 HD1 HIS A 71 9.308 6.769 -12.828 1.00 23.25 H new ATOM 0 HD2 HIS A 71 10.472 4.089 -9.838 1.00 60.51 H new ATOM 0 HE1 HIS A 71 11.431 5.664 -13.656 1.00 75.43 H new ATOM 1164 N TRP A 72 6.170 5.434 -12.720 1.00 43.15 N ATOM 1165 CA TRP A 72 5.979 5.177 -14.177 1.00 50.32 C ATOM 1166 C TRP A 72 7.357 5.079 -14.903 1.00 1.10 C ATOM 1167 O TRP A 72 8.248 5.882 -14.616 1.00 45.53 O ATOM 1168 CB TRP A 72 5.124 6.322 -14.807 1.00 25.53 C ATOM 1169 CG TRP A 72 3.916 6.726 -13.974 1.00 43.12 C ATOM 1170 CD1 TRP A 72 2.694 6.110 -13.921 1.00 53.14 C ATOM 1171 CD2 TRP A 72 3.839 7.839 -13.060 1.00 31.44 C ATOM 1172 NE1 TRP A 72 1.872 6.769 -13.039 1.00 64.04 N ATOM 1173 CE2 TRP A 72 2.550 7.831 -12.500 1.00 20.14 C ATOM 1174 CE3 TRP A 72 4.742 8.837 -12.666 1.00 32.35 C ATOM 1175 CZ2 TRP A 72 2.138 8.780 -11.562 1.00 60.00 C ATOM 1176 CZ3 TRP A 72 4.335 9.779 -11.737 1.00 52.51 C ATOM 1177 CH2 TRP A 72 3.040 9.747 -11.195 1.00 71.22 C ATOM 0 H TRP A 72 5.713 6.287 -12.396 1.00 43.15 H new ATOM 0 HA TRP A 72 5.457 4.228 -14.299 1.00 50.32 H new ATOM 0 HB2 TRP A 72 5.759 7.196 -14.955 1.00 25.53 H new ATOM 0 HB3 TRP A 72 4.783 6.006 -15.793 1.00 25.53 H new ATOM 0 HD1 TRP A 72 2.417 5.234 -14.489 1.00 53.14 H new ATOM 0 HE1 TRP A 72 0.910 6.509 -12.820 1.00 64.04 H new ATOM 0 HE3 TRP A 72 5.739 8.870 -13.081 1.00 32.35 H new ATOM 0 HZ2 TRP A 72 1.144 8.754 -11.140 1.00 60.00 H new ATOM 0 HZ3 TRP A 72 5.024 10.550 -11.424 1.00 52.51 H new ATOM 0 HH2 TRP A 72 2.748 10.498 -10.476 1.00 71.22 H new ATOM 1188 N LEU A 73 7.536 4.082 -15.809 1.00 13.51 N ATOM 1189 CA LEU A 73 8.794 3.935 -16.612 1.00 63.10 C ATOM 1190 C LEU A 73 8.987 5.202 -17.487 1.00 71.03 C ATOM 1191 O LEU A 73 10.055 5.826 -17.497 1.00 73.30 O ATOM 1192 CB LEU A 73 8.753 2.640 -17.503 1.00 31.13 C ATOM 1193 CG LEU A 73 10.108 1.856 -17.697 1.00 44.44 C ATOM 1194 CD1 LEU A 73 9.953 0.691 -18.701 1.00 3.35 C ATOM 1195 CD2 LEU A 73 11.282 2.776 -18.113 1.00 30.32 C ATOM 0 H LEU A 73 6.834 3.369 -16.006 1.00 13.51 H new ATOM 0 HA LEU A 73 9.640 3.831 -15.932 1.00 63.10 H new ATOM 0 HB2 LEU A 73 8.025 1.954 -17.069 1.00 31.13 H new ATOM 0 HB3 LEU A 73 8.380 2.919 -18.488 1.00 31.13 H new ATOM 0 HG LEU A 73 10.355 1.441 -16.720 1.00 44.44 H new ATOM 0 HD11 LEU A 73 10.907 0.174 -18.809 1.00 3.35 H new ATOM 0 HD12 LEU A 73 9.201 -0.008 -18.334 1.00 3.35 H new ATOM 0 HD13 LEU A 73 9.642 1.084 -19.669 1.00 3.35 H new ATOM 0 HD21 LEU A 73 12.187 2.180 -18.231 1.00 30.32 H new ATOM 0 HD22 LEU A 73 11.044 3.265 -19.057 1.00 30.32 H new ATOM 0 HD23 LEU A 73 11.443 3.531 -17.344 1.00 30.32 H new ATOM 1311 N TYR A 81 2.998 10.830 -4.994 1.00 3.35 N ATOM 1312 CA TYR A 81 3.813 9.962 -4.129 1.00 53.10 C ATOM 1313 C TYR A 81 2.902 9.178 -3.165 1.00 63.24 C ATOM 1314 O TYR A 81 2.114 9.767 -2.426 1.00 43.43 O ATOM 1315 CB TYR A 81 4.860 10.796 -3.340 1.00 24.03 C ATOM 1316 CG TYR A 81 5.747 9.967 -2.395 1.00 55.34 C ATOM 1317 CD1 TYR A 81 6.735 9.115 -2.899 1.00 2.11 C ATOM 1318 CD2 TYR A 81 5.596 10.035 -1.004 1.00 41.15 C ATOM 1319 CE1 TYR A 81 7.534 8.372 -2.054 1.00 42.13 C ATOM 1320 CE2 TYR A 81 6.395 9.290 -0.161 1.00 52.25 C ATOM 1321 CZ TYR A 81 7.360 8.462 -0.692 1.00 34.21 C ATOM 1322 OH TYR A 81 8.162 7.729 0.146 1.00 22.13 O ATOM 0 HA TYR A 81 4.354 9.253 -4.756 1.00 53.10 H new ATOM 0 HB2 TYR A 81 5.498 11.322 -4.050 1.00 24.03 H new ATOM 0 HB3 TYR A 81 4.338 11.555 -2.757 1.00 24.03 H new ATOM 0 HD1 TYR A 81 6.875 9.037 -3.967 1.00 2.11 H new ATOM 0 HD2 TYR A 81 4.840 10.682 -0.584 1.00 41.15 H new ATOM 0 HE1 TYR A 81 8.294 7.721 -2.461 1.00 42.13 H new ATOM 0 HE2 TYR A 81 6.265 9.356 0.909 1.00 52.25 H new ATOM 0 HH TYR A 81 7.691 7.565 0.989 1.00 22.13 H new ATOM 1332 N PHE A 82 3.031 7.846 -3.204 1.00 32.55 N ATOM 1333 CA PHE A 82 2.366 6.924 -2.267 1.00 13.53 C ATOM 1334 C PHE A 82 3.341 5.782 -1.908 1.00 40.25 C ATOM 1335 O PHE A 82 4.025 5.242 -2.786 1.00 62.11 O ATOM 1336 CB PHE A 82 1.036 6.365 -2.869 1.00 74.52 C ATOM 1337 CG PHE A 82 1.190 5.593 -4.184 1.00 61.12 C ATOM 1338 CD1 PHE A 82 1.308 6.268 -5.403 1.00 23.42 C ATOM 1339 CD2 PHE A 82 1.234 4.192 -4.201 1.00 65.12 C ATOM 1340 CE1 PHE A 82 1.461 5.573 -6.591 1.00 63.22 C ATOM 1341 CE2 PHE A 82 1.390 3.502 -5.390 1.00 64.34 C ATOM 1342 CZ PHE A 82 1.503 4.192 -6.584 1.00 44.10 C ATOM 0 H PHE A 82 3.608 7.369 -3.897 1.00 32.55 H new ATOM 0 HA PHE A 82 2.099 7.466 -1.360 1.00 13.53 H new ATOM 0 HB2 PHE A 82 0.570 5.709 -2.133 1.00 74.52 H new ATOM 0 HB3 PHE A 82 0.352 7.197 -3.033 1.00 74.52 H new ATOM 0 HD1 PHE A 82 1.279 7.348 -5.418 1.00 23.42 H new ATOM 0 HD2 PHE A 82 1.145 3.644 -3.274 1.00 65.12 H new ATOM 0 HE1 PHE A 82 1.548 6.111 -7.524 1.00 63.22 H new ATOM 0 HE2 PHE A 82 1.424 2.423 -5.386 1.00 64.34 H new ATOM 0 HZ PHE A 82 1.624 3.651 -7.511 1.00 44.10 H new ATOM 1352 N GLU A 83 3.429 5.442 -0.617 1.00 32.10 N ATOM 1353 CA GLU A 83 4.242 4.306 -0.139 1.00 61.54 C ATOM 1354 C GLU A 83 3.399 3.395 0.770 1.00 21.13 C ATOM 1355 O GLU A 83 2.397 3.828 1.365 1.00 12.10 O ATOM 1356 CB GLU A 83 5.508 4.795 0.625 1.00 12.23 C ATOM 1357 CG GLU A 83 5.216 5.520 1.957 1.00 72.22 C ATOM 1358 CD GLU A 83 6.475 5.844 2.776 1.00 71.04 C ATOM 1359 OE1 GLU A 83 7.053 4.915 3.381 1.00 65.14 O ATOM 1360 OE2 GLU A 83 6.896 7.022 2.812 1.00 74.32 O ATOM 0 H GLU A 83 2.942 5.941 0.127 1.00 32.10 H new ATOM 0 HA GLU A 83 4.571 3.741 -1.011 1.00 61.54 H new ATOM 0 HB2 GLU A 83 6.149 3.936 0.827 1.00 12.23 H new ATOM 0 HB3 GLU A 83 6.070 5.467 -0.023 1.00 12.23 H new ATOM 0 HG2 GLU A 83 4.683 6.447 1.746 1.00 72.22 H new ATOM 0 HG3 GLU A 83 4.552 4.900 2.559 1.00 72.22 H new ATOM 1367 N ILE A 84 3.814 2.127 0.862 1.00 64.42 N ATOM 1368 CA ILE A 84 3.226 1.146 1.784 1.00 32.01 C ATOM 1369 C ILE A 84 4.328 0.696 2.763 1.00 23.12 C ATOM 1370 O ILE A 84 5.346 0.129 2.349 1.00 22.20 O ATOM 1371 CB ILE A 84 2.610 -0.122 1.063 1.00 52.10 C ATOM 1372 CG1 ILE A 84 1.549 0.262 -0.042 1.00 64.11 C ATOM 1373 CG2 ILE A 84 1.983 -1.075 2.117 1.00 13.12 C ATOM 1374 CD1 ILE A 84 2.129 0.664 -1.396 1.00 24.55 C ATOM 0 H ILE A 84 4.573 1.749 0.295 1.00 64.42 H new ATOM 0 HA ILE A 84 2.396 1.632 2.296 1.00 32.01 H new ATOM 0 HB ILE A 84 3.424 -0.632 0.548 1.00 52.10 H new ATOM 0 HG12 ILE A 84 0.880 -0.586 -0.190 1.00 64.11 H new ATOM 0 HG13 ILE A 84 0.941 1.086 0.333 1.00 64.11 H new ATOM 0 HG21 ILE A 84 1.561 -1.945 1.615 1.00 13.12 H new ATOM 0 HG22 ILE A 84 2.752 -1.398 2.818 1.00 13.12 H new ATOM 0 HG23 ILE A 84 1.195 -0.551 2.658 1.00 13.12 H new ATOM 0 HD11 ILE A 84 1.317 0.908 -2.082 1.00 24.55 H new ATOM 0 HD12 ILE A 84 2.773 1.535 -1.272 1.00 24.55 H new ATOM 0 HD13 ILE A 84 2.711 -0.163 -1.802 1.00 24.55 H new ATOM 1386 N LYS A 85 4.139 0.996 4.050 1.00 1.33 N ATOM 1387 CA LYS A 85 5.056 0.586 5.126 1.00 75.50 C ATOM 1388 C LYS A 85 4.273 -0.175 6.212 1.00 62.04 C ATOM 1389 O LYS A 85 3.135 0.183 6.539 1.00 41.41 O ATOM 1390 CB LYS A 85 5.780 1.834 5.710 1.00 41.45 C ATOM 1391 CG LYS A 85 4.863 3.044 5.979 1.00 73.31 C ATOM 1392 CD LYS A 85 5.573 4.223 6.675 1.00 21.52 C ATOM 1393 CE LYS A 85 6.039 3.883 8.105 1.00 22.31 C ATOM 1394 NZ LYS A 85 6.494 5.090 8.836 1.00 3.34 N ATOM 0 H LYS A 85 3.339 1.535 4.382 1.00 1.33 H new ATOM 0 HA LYS A 85 5.817 -0.084 4.727 1.00 75.50 H new ATOM 0 HB2 LYS A 85 6.268 1.551 6.643 1.00 41.45 H new ATOM 0 HB3 LYS A 85 6.566 2.138 5.019 1.00 41.45 H new ATOM 0 HG2 LYS A 85 4.448 3.390 5.033 1.00 73.31 H new ATOM 0 HG3 LYS A 85 4.024 2.722 6.596 1.00 73.31 H new ATOM 0 HD2 LYS A 85 6.435 4.524 6.079 1.00 21.52 H new ATOM 0 HD3 LYS A 85 4.897 5.077 6.712 1.00 21.52 H new ATOM 0 HE2 LYS A 85 5.222 3.413 8.652 1.00 22.31 H new ATOM 0 HE3 LYS A 85 6.851 3.157 8.060 1.00 22.31 H new ATOM 0 HZ1 LYS A 85 6.815 4.819 9.787 1.00 3.34 H new ATOM 0 HZ2 LYS A 85 7.279 5.534 8.318 1.00 3.34 H new ATOM 0 HZ3 LYS A 85 5.707 5.765 8.916 1.00 3.34 H new ATOM 1408 N MET A 86 4.881 -1.245 6.760 1.00 52.53 N ATOM 1409 CA MET A 86 4.239 -2.113 7.774 1.00 21.44 C ATOM 1410 C MET A 86 5.199 -2.256 8.978 1.00 11.51 C ATOM 1411 O MET A 86 6.417 -2.373 8.797 1.00 21.11 O ATOM 1412 CB MET A 86 3.873 -3.524 7.181 1.00 54.01 C ATOM 1413 CG MET A 86 3.491 -3.543 5.688 1.00 52.22 C ATOM 1414 SD MET A 86 3.161 -5.209 5.063 1.00 20.35 S ATOM 1415 CE MET A 86 1.766 -5.727 6.067 1.00 31.13 C ATOM 0 H MET A 86 5.828 -1.534 6.515 1.00 52.53 H new ATOM 0 HA MET A 86 3.304 -1.654 8.096 1.00 21.44 H new ATOM 0 HB2 MET A 86 4.722 -4.191 7.328 1.00 54.01 H new ATOM 0 HB3 MET A 86 3.042 -3.934 7.755 1.00 54.01 H new ATOM 0 HG2 MET A 86 2.608 -2.923 5.537 1.00 52.22 H new ATOM 0 HG3 MET A 86 4.297 -3.096 5.107 1.00 52.22 H new ATOM 0 HE1 MET A 86 1.772 -6.812 6.166 1.00 31.13 H new ATOM 0 HE2 MET A 86 1.840 -5.272 7.055 1.00 31.13 H new ATOM 0 HE3 MET A 86 0.838 -5.411 5.591 1.00 31.13 H new ATOM 1425 N SER A 87 4.655 -2.235 10.202 1.00 13.55 N ATOM 1426 CA SER A 87 5.465 -2.285 11.450 1.00 20.41 C ATOM 1427 C SER A 87 4.860 -3.291 12.445 1.00 52.10 C ATOM 1428 O SER A 87 3.644 -3.362 12.588 1.00 71.24 O ATOM 1429 CB SER A 87 5.556 -0.878 12.086 1.00 30.15 C ATOM 1430 OG SER A 87 6.353 -0.884 13.262 1.00 3.31 O ATOM 0 H SER A 87 3.650 -2.183 10.366 1.00 13.55 H new ATOM 0 HA SER A 87 6.472 -2.617 11.198 1.00 20.41 H new ATOM 0 HB2 SER A 87 5.978 -0.179 11.364 1.00 30.15 H new ATOM 0 HB3 SER A 87 4.554 -0.522 12.327 1.00 30.15 H new ATOM 0 HG SER A 87 6.390 0.021 13.636 1.00 3.31 H new ATOM 1436 N TYR A 88 5.713 -4.058 13.144 1.00 23.54 N ATOM 1437 CA TYR A 88 5.268 -5.162 14.033 1.00 21.25 C ATOM 1438 C TYR A 88 5.268 -4.737 15.524 1.00 14.32 C ATOM 1439 O TYR A 88 6.329 -4.473 16.105 1.00 75.32 O ATOM 1440 CB TYR A 88 6.186 -6.401 13.812 1.00 23.34 C ATOM 1441 CG TYR A 88 5.820 -7.647 14.648 1.00 23.22 C ATOM 1442 CD1 TYR A 88 4.512 -8.147 14.673 1.00 21.01 C ATOM 1443 CD2 TYR A 88 6.787 -8.336 15.392 1.00 63.14 C ATOM 1444 CE1 TYR A 88 4.187 -9.275 15.403 1.00 55.21 C ATOM 1445 CE2 TYR A 88 6.461 -9.463 16.124 1.00 10.41 C ATOM 1446 CZ TYR A 88 5.162 -9.928 16.127 1.00 21.41 C ATOM 1447 OH TYR A 88 4.843 -11.057 16.853 1.00 62.23 O ATOM 0 H TYR A 88 6.725 -3.937 13.114 1.00 23.54 H new ATOM 0 HA TYR A 88 4.240 -5.419 13.777 1.00 21.25 H new ATOM 0 HB2 TYR A 88 6.158 -6.670 12.756 1.00 23.34 H new ATOM 0 HB3 TYR A 88 7.213 -6.118 14.042 1.00 23.34 H new ATOM 0 HD1 TYR A 88 3.741 -7.641 14.110 1.00 21.01 H new ATOM 0 HD2 TYR A 88 7.807 -7.980 15.394 1.00 63.14 H new ATOM 0 HE1 TYR A 88 3.172 -9.644 15.406 1.00 55.21 H new ATOM 0 HE2 TYR A 88 7.222 -9.978 16.692 1.00 10.41 H new ATOM 0 HH TYR A 88 5.646 -11.394 17.304 1.00 62.23 H new ATOM 1457 N ASN A 89 4.065 -4.662 16.135 1.00 73.45 N ATOM 1458 CA ASN A 89 3.912 -4.530 17.601 1.00 54.11 C ATOM 1459 C ASN A 89 4.136 -5.922 18.243 1.00 33.34 C ATOM 1460 O ASN A 89 3.219 -6.747 18.279 1.00 13.04 O ATOM 1461 CB ASN A 89 2.504 -3.993 17.975 1.00 3.13 C ATOM 1462 CG ASN A 89 2.135 -2.683 17.285 1.00 34.41 C ATOM 1463 OD1 ASN A 89 1.422 -2.769 16.180 1.00 24.43 O flip ATOM 1464 ND2 ASN A 89 2.467 -1.605 17.752 1.00 14.24 N flip ATOM 0 H ASN A 89 3.179 -4.691 15.630 1.00 73.45 H new ATOM 0 HA ASN A 89 4.646 -3.815 17.974 1.00 54.11 H new ATOM 0 HB2 ASN A 89 1.760 -4.748 17.721 1.00 3.13 H new ATOM 0 HB3 ASN A 89 2.456 -3.849 19.054 1.00 3.13 H new ATOM 0 HD21 ASN A 89 3.019 -1.569 18.609 1.00 14.24 H new ATOM 0 HD22 ASN A 89 2.192 -0.741 17.285 1.00 14.24 H new ATOM 1471 N GLU A 90 5.369 -6.167 18.724 1.00 41.14 N ATOM 1472 CA GLU A 90 5.830 -7.498 19.188 1.00 71.23 C ATOM 1473 C GLU A 90 4.948 -8.101 20.319 1.00 12.12 C ATOM 1474 O GLU A 90 4.523 -9.254 20.233 1.00 63.20 O ATOM 1475 CB GLU A 90 7.309 -7.391 19.660 1.00 61.01 C ATOM 1476 CG GLU A 90 7.975 -8.733 20.035 1.00 70.41 C ATOM 1477 CD GLU A 90 9.416 -8.565 20.548 1.00 13.25 C ATOM 1478 OE1 GLU A 90 10.354 -8.534 19.721 1.00 64.05 O ATOM 1479 OE2 GLU A 90 9.618 -8.439 21.777 1.00 63.15 O ATOM 0 H GLU A 90 6.083 -5.443 18.804 1.00 41.14 H new ATOM 0 HA GLU A 90 5.744 -8.180 18.342 1.00 71.23 H new ATOM 0 HB2 GLU A 90 7.894 -6.921 18.869 1.00 61.01 H new ATOM 0 HB3 GLU A 90 7.351 -6.728 20.524 1.00 61.01 H new ATOM 0 HG2 GLU A 90 7.378 -9.227 20.801 1.00 70.41 H new ATOM 0 HG3 GLU A 90 7.979 -9.387 19.163 1.00 70.41 H new ATOM 1486 N LEU A 91 4.637 -7.284 21.340 1.00 2.34 N ATOM 1487 CA LEU A 91 4.009 -7.757 22.600 1.00 70.23 C ATOM 1488 C LEU A 91 2.500 -8.074 22.443 1.00 32.12 C ATOM 1489 O LEU A 91 1.927 -8.785 23.278 1.00 61.33 O ATOM 1490 CB LEU A 91 4.225 -6.695 23.710 1.00 11.40 C ATOM 1491 CG LEU A 91 5.714 -6.345 24.044 1.00 72.15 C ATOM 1492 CD1 LEU A 91 5.799 -5.255 25.135 1.00 62.52 C ATOM 1493 CD2 LEU A 91 6.513 -7.611 24.446 1.00 14.13 C ATOM 0 H LEU A 91 4.811 -6.279 21.322 1.00 2.34 H new ATOM 0 HA LEU A 91 4.492 -8.695 22.875 1.00 70.23 H new ATOM 0 HB2 LEU A 91 3.715 -5.779 23.413 1.00 11.40 H new ATOM 0 HB3 LEU A 91 3.742 -7.047 24.621 1.00 11.40 H new ATOM 0 HG LEU A 91 6.171 -5.943 23.140 1.00 72.15 H new ATOM 0 HD11 LEU A 91 6.845 -5.032 25.346 1.00 62.52 H new ATOM 0 HD12 LEU A 91 5.299 -4.351 24.786 1.00 62.52 H new ATOM 0 HD13 LEU A 91 5.313 -5.611 26.043 1.00 62.52 H new ATOM 0 HD21 LEU A 91 7.543 -7.335 24.672 1.00 14.13 H new ATOM 0 HD22 LEU A 91 6.058 -8.064 25.326 1.00 14.13 H new ATOM 0 HD23 LEU A 91 6.501 -8.325 23.623 1.00 14.13 H new ATOM 1505 N THR A 92 1.857 -7.540 21.384 1.00 64.03 N ATOM 1506 CA THR A 92 0.397 -7.739 21.145 1.00 22.30 C ATOM 1507 C THR A 92 0.099 -8.449 19.799 1.00 13.34 C ATOM 1508 O THR A 92 -1.040 -8.872 19.549 1.00 50.33 O ATOM 1509 CB THR A 92 -0.383 -6.377 21.232 1.00 43.40 C ATOM 1510 OG1 THR A 92 -1.801 -6.589 21.101 1.00 13.23 O ATOM 1511 CG2 THR A 92 0.089 -5.356 20.178 1.00 24.11 C ATOM 0 H THR A 92 2.318 -6.967 20.677 1.00 64.03 H new ATOM 0 HA THR A 92 0.045 -8.398 21.939 1.00 22.30 H new ATOM 0 HB THR A 92 -0.167 -5.961 22.216 1.00 43.40 H new ATOM 0 HG1 THR A 92 -2.050 -6.561 20.154 1.00 13.23 H new ATOM 0 HG21 THR A 92 -0.483 -4.434 20.283 1.00 24.11 H new ATOM 0 HG22 THR A 92 1.148 -5.145 20.325 1.00 24.11 H new ATOM 0 HG23 THR A 92 -0.064 -5.766 19.180 1.00 24.11 H new ATOM 1519 N GLY A 93 1.125 -8.583 18.936 1.00 71.20 N ATOM 1520 CA GLY A 93 0.988 -9.268 17.629 1.00 0.22 C ATOM 1521 C GLY A 93 0.520 -8.364 16.476 1.00 32.54 C ATOM 1522 O GLY A 93 0.785 -8.669 15.311 1.00 55.44 O ATOM 0 H GLY A 93 2.063 -8.225 19.119 1.00 71.20 H new ATOM 0 HA2 GLY A 93 1.949 -9.707 17.362 1.00 0.22 H new ATOM 0 HA3 GLY A 93 0.281 -10.091 17.738 1.00 0.22 H new ATOM 1526 N ASP A 94 -0.175 -7.256 16.805 1.00 41.31 N ATOM 1527 CA ASP A 94 -0.750 -6.300 15.818 1.00 63.05 C ATOM 1528 C ASP A 94 0.306 -5.761 14.818 1.00 35.02 C ATOM 1529 O ASP A 94 1.496 -5.683 15.139 1.00 1.32 O ATOM 1530 CB ASP A 94 -1.390 -5.090 16.565 1.00 65.54 C ATOM 1531 CG ASP A 94 -2.587 -5.435 17.473 1.00 11.13 C ATOM 1532 OD1 ASP A 94 -2.585 -6.505 18.120 1.00 50.14 O ATOM 1533 OD2 ASP A 94 -3.530 -4.617 17.564 1.00 45.01 O ATOM 0 H ASP A 94 -0.359 -6.991 17.773 1.00 41.31 H new ATOM 0 HA ASP A 94 -1.500 -6.850 15.250 1.00 63.05 H new ATOM 0 HB2 ASP A 94 -0.621 -4.611 17.171 1.00 65.54 H new ATOM 0 HB3 ASP A 94 -1.715 -4.358 15.825 1.00 65.54 H new ATOM 1538 N TYR A 95 -0.149 -5.368 13.618 1.00 21.34 N ATOM 1539 CA TYR A 95 0.699 -4.646 12.638 1.00 54.54 C ATOM 1540 C TYR A 95 0.180 -3.204 12.445 1.00 40.01 C ATOM 1541 O TYR A 95 -0.993 -3.004 12.148 1.00 32.41 O ATOM 1542 CB TYR A 95 0.734 -5.409 11.258 1.00 23.51 C ATOM 1543 CG TYR A 95 2.072 -6.108 10.960 1.00 4.41 C ATOM 1544 CD1 TYR A 95 2.410 -7.323 11.552 1.00 25.32 C ATOM 1545 CD2 TYR A 95 3.001 -5.538 10.084 1.00 35.54 C ATOM 1546 CE1 TYR A 95 3.621 -7.937 11.281 1.00 53.45 C ATOM 1547 CE2 TYR A 95 4.209 -6.150 9.815 1.00 63.11 C ATOM 1548 CZ TYR A 95 4.514 -7.349 10.415 1.00 63.13 C ATOM 1549 OH TYR A 95 5.724 -7.958 10.154 1.00 70.33 O ATOM 0 H TYR A 95 -1.102 -5.536 13.296 1.00 21.34 H new ATOM 0 HA TYR A 95 1.716 -4.604 13.028 1.00 54.54 H new ATOM 0 HB2 TYR A 95 -0.063 -6.153 11.246 1.00 23.51 H new ATOM 0 HB3 TYR A 95 0.520 -4.700 10.458 1.00 23.51 H new ATOM 0 HD1 TYR A 95 1.716 -7.793 12.233 1.00 25.32 H new ATOM 0 HD2 TYR A 95 2.768 -4.597 9.607 1.00 35.54 H new ATOM 0 HE1 TYR A 95 3.865 -8.879 11.750 1.00 53.45 H new ATOM 0 HE2 TYR A 95 4.911 -5.689 9.136 1.00 63.11 H new ATOM 0 HH TYR A 95 6.342 -7.305 9.764 1.00 70.33 H new ATOM 1559 N VAL A 96 1.078 -2.210 12.597 1.00 12.22 N ATOM 1560 CA VAL A 96 0.827 -0.823 12.168 1.00 33.34 C ATOM 1561 C VAL A 96 1.000 -0.742 10.639 1.00 24.15 C ATOM 1562 O VAL A 96 2.125 -0.714 10.124 1.00 23.25 O ATOM 1563 CB VAL A 96 1.784 0.214 12.880 1.00 62.51 C ATOM 1564 CG1 VAL A 96 1.584 1.658 12.328 1.00 11.34 C ATOM 1565 CG2 VAL A 96 1.587 0.176 14.413 1.00 4.11 C ATOM 0 H VAL A 96 1.996 -2.348 13.020 1.00 12.22 H new ATOM 0 HA VAL A 96 -0.190 -0.556 12.455 1.00 33.34 H new ATOM 0 HB VAL A 96 2.810 -0.079 12.657 1.00 62.51 H new ATOM 0 HG11 VAL A 96 2.260 2.341 12.843 1.00 11.34 H new ATOM 0 HG12 VAL A 96 1.798 1.672 11.259 1.00 11.34 H new ATOM 0 HG13 VAL A 96 0.554 1.972 12.495 1.00 11.34 H new ATOM 0 HG21 VAL A 96 2.255 0.897 14.884 1.00 4.11 H new ATOM 0 HG22 VAL A 96 0.554 0.428 14.653 1.00 4.11 H new ATOM 0 HG23 VAL A 96 1.813 -0.824 14.784 1.00 4.11 H new ATOM 1575 N LEU A 97 -0.122 -0.770 9.930 1.00 41.32 N ATOM 1576 CA LEU A 97 -0.154 -0.665 8.472 1.00 1.03 C ATOM 1577 C LEU A 97 -0.407 0.792 8.080 1.00 11.52 C ATOM 1578 O LEU A 97 -1.518 1.303 8.232 1.00 13.42 O ATOM 1579 CB LEU A 97 -1.255 -1.591 7.915 1.00 25.32 C ATOM 1580 CG LEU A 97 -1.329 -1.699 6.368 1.00 21.24 C ATOM 1581 CD1 LEU A 97 0.012 -2.190 5.780 1.00 12.21 C ATOM 1582 CD2 LEU A 97 -2.511 -2.596 5.937 1.00 22.10 C ATOM 0 H LEU A 97 -1.045 -0.867 10.353 1.00 41.32 H new ATOM 0 HA LEU A 97 0.801 -0.977 8.049 1.00 1.03 H new ATOM 0 HB2 LEU A 97 -1.104 -2.590 8.323 1.00 25.32 H new ATOM 0 HB3 LEU A 97 -2.219 -1.239 8.282 1.00 25.32 H new ATOM 0 HG LEU A 97 -1.510 -0.703 5.963 1.00 21.24 H new ATOM 0 HD11 LEU A 97 -0.069 -2.256 4.695 1.00 12.21 H new ATOM 0 HD12 LEU A 97 0.803 -1.488 6.043 1.00 12.21 H new ATOM 0 HD13 LEU A 97 0.249 -3.173 6.187 1.00 12.21 H new ATOM 0 HD21 LEU A 97 -2.543 -2.657 4.849 1.00 22.10 H new ATOM 0 HD22 LEU A 97 -2.380 -3.595 6.353 1.00 22.10 H new ATOM 0 HD23 LEU A 97 -3.444 -2.169 6.304 1.00 22.10 H new ATOM 1594 N GLU A 98 0.627 1.442 7.554 1.00 71.33 N ATOM 1595 CA GLU A 98 0.626 2.889 7.315 1.00 41.41 C ATOM 1596 C GLU A 98 0.798 3.166 5.809 1.00 54.21 C ATOM 1597 O GLU A 98 1.865 2.932 5.238 1.00 70.41 O ATOM 1598 CB GLU A 98 1.753 3.550 8.163 1.00 64.55 C ATOM 1599 CG GLU A 98 1.672 5.083 8.258 1.00 15.22 C ATOM 1600 CD GLU A 98 2.792 5.703 9.115 1.00 11.15 C ATOM 1601 OE1 GLU A 98 2.783 5.516 10.352 1.00 51.22 O ATOM 1602 OE2 GLU A 98 3.687 6.377 8.566 1.00 12.33 O ATOM 0 H GLU A 98 1.495 0.982 7.279 1.00 71.33 H new ATOM 0 HA GLU A 98 -0.325 3.324 7.622 1.00 41.41 H new ATOM 0 HB2 GLU A 98 1.721 3.135 9.170 1.00 64.55 H new ATOM 0 HB3 GLU A 98 2.718 3.277 7.736 1.00 64.55 H new ATOM 0 HG2 GLU A 98 1.717 5.505 7.254 1.00 15.22 H new ATOM 0 HG3 GLU A 98 0.706 5.363 8.678 1.00 15.22 H new ATOM 1609 N ILE A 99 -0.282 3.606 5.153 1.00 1.52 N ATOM 1610 CA ILE A 99 -0.249 4.011 3.737 1.00 21.42 C ATOM 1611 C ILE A 99 -0.093 5.550 3.679 1.00 33.31 C ATOM 1612 O ILE A 99 -0.990 6.291 4.095 1.00 24.04 O ATOM 1613 CB ILE A 99 -1.557 3.518 2.968 1.00 64.25 C ATOM 1614 CG1 ILE A 99 -1.557 1.958 2.748 1.00 52.31 C ATOM 1615 CG2 ILE A 99 -1.730 4.232 1.598 1.00 65.51 C ATOM 1616 CD1 ILE A 99 -1.674 1.099 3.997 1.00 74.23 C ATOM 0 H ILE A 99 -1.202 3.692 5.584 1.00 1.52 H new ATOM 0 HA ILE A 99 0.597 3.543 3.233 1.00 21.42 H new ATOM 0 HB ILE A 99 -2.399 3.782 3.608 1.00 64.25 H new ATOM 0 HG12 ILE A 99 -2.383 1.707 2.082 1.00 52.31 H new ATOM 0 HG13 ILE A 99 -0.637 1.686 2.231 1.00 52.31 H new ATOM 0 HG21 ILE A 99 -2.633 3.866 1.109 1.00 65.51 H new ATOM 0 HG22 ILE A 99 -1.813 5.307 1.756 1.00 65.51 H new ATOM 0 HG23 ILE A 99 -0.866 4.024 0.967 1.00 65.51 H new ATOM 0 HD11 ILE A 99 -1.663 0.046 3.717 1.00 74.23 H new ATOM 0 HD12 ILE A 99 -0.835 1.307 4.661 1.00 74.23 H new ATOM 0 HD13 ILE A 99 -2.608 1.328 4.510 1.00 74.23 H new ATOM 1628 N THR A 100 1.056 6.025 3.168 1.00 31.31 N ATOM 1629 CA THR A 100 1.394 7.467 3.145 1.00 5.35 C ATOM 1630 C THR A 100 1.305 8.012 1.707 1.00 62.32 C ATOM 1631 O THR A 100 2.160 7.715 0.869 1.00 13.11 O ATOM 1632 CB THR A 100 2.820 7.715 3.746 1.00 22.54 C ATOM 1633 OG1 THR A 100 2.884 7.218 5.100 1.00 54.44 O ATOM 1634 CG2 THR A 100 3.219 9.203 3.732 1.00 73.22 C ATOM 0 H THR A 100 1.776 5.428 2.761 1.00 31.31 H new ATOM 0 HA THR A 100 0.672 8.001 3.763 1.00 5.35 H new ATOM 0 HB THR A 100 3.525 7.177 3.112 1.00 22.54 H new ATOM 0 HG1 THR A 100 3.780 7.377 5.465 1.00 54.44 H new ATOM 0 HG21 THR A 100 4.215 9.317 4.160 1.00 73.22 H new ATOM 0 HG22 THR A 100 3.221 9.570 2.706 1.00 73.22 H new ATOM 0 HG23 THR A 100 2.504 9.777 4.321 1.00 73.22 H new ATOM 1642 N ASP A 101 0.263 8.812 1.445 1.00 13.23 N ATOM 1643 CA ASP A 101 -0.043 9.368 0.108 1.00 41.35 C ATOM 1644 C ASP A 101 -0.082 10.912 0.172 1.00 41.21 C ATOM 1645 O ASP A 101 -0.158 11.500 1.256 1.00 14.45 O ATOM 1646 CB ASP A 101 -1.408 8.792 -0.394 1.00 12.45 C ATOM 1647 CG ASP A 101 -1.831 9.281 -1.799 1.00 25.33 C ATOM 1648 OD1 ASP A 101 -1.060 9.077 -2.761 1.00 41.31 O ATOM 1649 OD2 ASP A 101 -2.911 9.901 -1.939 1.00 61.54 O ATOM 0 H ASP A 101 -0.404 9.099 2.161 1.00 13.23 H new ATOM 0 HA ASP A 101 0.737 9.080 -0.596 1.00 41.35 H new ATOM 0 HB2 ASP A 101 -1.347 7.704 -0.405 1.00 12.45 H new ATOM 0 HB3 ASP A 101 -2.186 9.061 0.320 1.00 12.45 H new ATOM 1654 N PHE A 102 -0.040 11.563 -0.999 1.00 42.12 N ATOM 1655 CA PHE A 102 -0.255 13.017 -1.125 1.00 64.24 C ATOM 1656 C PHE A 102 -1.686 13.242 -1.657 1.00 4.35 C ATOM 1657 O PHE A 102 -2.011 12.794 -2.759 1.00 0.01 O ATOM 1658 CB PHE A 102 0.777 13.658 -2.111 1.00 30.31 C ATOM 1659 CG PHE A 102 2.255 13.692 -1.672 1.00 60.22 C ATOM 1660 CD1 PHE A 102 2.688 13.172 -0.447 1.00 22.53 C ATOM 1661 CD2 PHE A 102 3.222 14.268 -2.509 1.00 10.34 C ATOM 1662 CE1 PHE A 102 4.024 13.223 -0.079 1.00 63.41 C ATOM 1663 CE2 PHE A 102 4.556 14.318 -2.136 1.00 32.11 C ATOM 1664 CZ PHE A 102 4.955 13.795 -0.923 1.00 3.43 C ATOM 0 H PHE A 102 0.144 11.098 -1.888 1.00 42.12 H new ATOM 0 HA PHE A 102 -0.121 13.488 -0.151 1.00 64.24 H new ATOM 0 HB2 PHE A 102 0.719 13.118 -3.056 1.00 30.31 H new ATOM 0 HB3 PHE A 102 0.461 14.682 -2.309 1.00 30.31 H new ATOM 0 HD1 PHE A 102 1.970 12.723 0.223 1.00 22.53 H new ATOM 0 HD2 PHE A 102 2.922 14.680 -3.461 1.00 10.34 H new ATOM 0 HE1 PHE A 102 4.337 12.814 0.870 1.00 63.41 H new ATOM 0 HE2 PHE A 102 5.284 14.767 -2.796 1.00 32.11 H new ATOM 0 HZ PHE A 102 5.995 13.833 -0.634 1.00 3.43 H new ATOM 1674 N SER A 103 -2.537 13.930 -0.876 1.00 50.31 N ATOM 1675 CA SER A 103 -3.947 14.205 -1.244 1.00 53.51 C ATOM 1676 C SER A 103 -4.322 15.685 -1.015 1.00 62.13 C ATOM 1677 O SER A 103 -3.859 16.320 -0.059 1.00 52.45 O ATOM 1678 CB SER A 103 -4.896 13.300 -0.416 1.00 74.33 C ATOM 1679 OG SER A 103 -4.739 11.927 -0.739 1.00 60.23 O ATOM 0 H SER A 103 -2.271 14.314 0.031 1.00 50.31 H new ATOM 0 HA SER A 103 -4.057 13.988 -2.307 1.00 53.51 H new ATOM 0 HB2 SER A 103 -4.701 13.447 0.646 1.00 74.33 H new ATOM 0 HB3 SER A 103 -5.929 13.599 -0.595 1.00 74.33 H new ATOM 0 HG SER A 103 -3.927 11.808 -1.274 1.00 60.23 H new ATOM 1685 N GLU A 104 -5.143 16.228 -1.934 1.00 51.42 N ATOM 1686 CA GLU A 104 -5.822 17.538 -1.765 1.00 32.11 C ATOM 1687 C GLU A 104 -6.810 17.498 -0.578 1.00 33.54 C ATOM 1688 O GLU A 104 -7.207 16.421 -0.135 1.00 60.02 O ATOM 1689 CB GLU A 104 -6.604 17.877 -3.066 1.00 2.31 C ATOM 1690 CG GLU A 104 -5.737 18.247 -4.289 1.00 23.33 C ATOM 1691 CD GLU A 104 -6.375 17.837 -5.625 1.00 51.25 C ATOM 1692 OE1 GLU A 104 -7.297 18.536 -6.094 1.00 54.33 O ATOM 1693 OE2 GLU A 104 -5.968 16.798 -6.197 1.00 74.53 O ATOM 0 H GLU A 104 -5.358 15.772 -2.821 1.00 51.42 H new ATOM 0 HA GLU A 104 -5.067 18.298 -1.565 1.00 32.11 H new ATOM 0 HB2 GLU A 104 -7.225 17.020 -3.329 1.00 2.31 H new ATOM 0 HB3 GLU A 104 -7.279 18.707 -2.857 1.00 2.31 H new ATOM 0 HG2 GLU A 104 -5.563 19.323 -4.291 1.00 23.33 H new ATOM 0 HG3 GLU A 104 -4.763 17.766 -4.195 1.00 23.33 H new ATOM 1700 N ALA A 105 -7.197 18.679 -0.066 1.00 40.14 N ATOM 1701 CA ALA A 105 -8.362 18.804 0.852 1.00 23.15 C ATOM 1702 C ALA A 105 -9.643 18.126 0.266 1.00 45.32 C ATOM 1703 O ALA A 105 -10.468 17.575 1.007 1.00 14.11 O ATOM 1704 CB ALA A 105 -8.630 20.281 1.154 1.00 71.11 C ATOM 0 H ALA A 105 -6.728 19.562 -0.266 1.00 40.14 H new ATOM 0 HA ALA A 105 -8.115 18.283 1.777 1.00 23.15 H new ATOM 0 HB1 ALA A 105 -9.484 20.366 1.826 1.00 71.11 H new ATOM 0 HB2 ALA A 105 -7.751 20.721 1.626 1.00 71.11 H new ATOM 0 HB3 ALA A 105 -8.846 20.809 0.225 1.00 71.11 H new ATOM 1710 N ASP A 106 -9.770 18.181 -1.080 1.00 24.02 N ATOM 1711 CA ASP A 106 -10.834 17.490 -1.846 1.00 31.42 C ATOM 1712 C ASP A 106 -10.688 15.949 -1.768 1.00 23.14 C ATOM 1713 O ASP A 106 -11.667 15.238 -1.533 1.00 71.22 O ATOM 1714 CB ASP A 106 -10.775 17.926 -3.329 1.00 73.53 C ATOM 1715 CG ASP A 106 -10.917 19.442 -3.503 1.00 25.11 C ATOM 1716 OD1 ASP A 106 -9.908 20.168 -3.322 1.00 14.52 O ATOM 1717 OD2 ASP A 106 -12.031 19.920 -3.817 1.00 3.32 O ATOM 0 H ASP A 106 -9.130 18.712 -1.671 1.00 24.02 H new ATOM 0 HA ASP A 106 -11.792 17.767 -1.405 1.00 31.42 H new ATOM 0 HB2 ASP A 106 -9.829 17.601 -3.762 1.00 73.53 H new ATOM 0 HB3 ASP A 106 -11.568 17.424 -3.883 1.00 73.53 H new ATOM 1722 N GLU A 107 -9.447 15.456 -1.924 1.00 50.14 N ATOM 1723 CA GLU A 107 -9.158 14.000 -2.021 1.00 3.53 C ATOM 1724 C GLU A 107 -9.155 13.340 -0.627 1.00 74.31 C ATOM 1725 O GLU A 107 -9.560 12.182 -0.473 1.00 54.32 O ATOM 1726 CB GLU A 107 -7.767 13.792 -2.687 1.00 23.40 C ATOM 1727 CG GLU A 107 -7.604 14.424 -4.084 1.00 20.21 C ATOM 1728 CD GLU A 107 -8.489 13.787 -5.165 1.00 70.24 C ATOM 1729 OE1 GLU A 107 -8.075 12.762 -5.754 1.00 23.40 O ATOM 1730 OE2 GLU A 107 -9.591 14.308 -5.443 1.00 1.12 O ATOM 0 H GLU A 107 -8.616 16.044 -1.987 1.00 50.14 H new ATOM 0 HA GLU A 107 -9.939 13.536 -2.623 1.00 3.53 H new ATOM 0 HB2 GLU A 107 -7.002 14.204 -2.029 1.00 23.40 H new ATOM 0 HB3 GLU A 107 -7.577 12.722 -2.766 1.00 23.40 H new ATOM 0 HG2 GLU A 107 -7.835 15.487 -4.020 1.00 20.21 H new ATOM 0 HG3 GLU A 107 -6.561 14.343 -4.389 1.00 20.21 H new ATOM 1737 N ALA A 108 -8.762 14.127 0.392 1.00 34.32 N ATOM 1738 CA ALA A 108 -8.587 13.646 1.778 1.00 64.34 C ATOM 1739 C ALA A 108 -9.929 13.216 2.408 1.00 63.01 C ATOM 1740 O ALA A 108 -9.955 12.377 3.305 1.00 71.44 O ATOM 1741 CB ALA A 108 -7.905 14.727 2.630 1.00 60.11 C ATOM 0 H ALA A 108 -8.556 15.119 0.278 1.00 34.32 H new ATOM 0 HA ALA A 108 -7.948 12.764 1.749 1.00 64.34 H new ATOM 0 HB1 ALA A 108 -7.781 14.362 3.650 1.00 60.11 H new ATOM 0 HB2 ALA A 108 -6.928 14.961 2.207 1.00 60.11 H new ATOM 0 HB3 ALA A 108 -8.521 15.626 2.639 1.00 60.11 H new ATOM 1747 N ASP A 109 -11.034 13.798 1.917 1.00 60.41 N ATOM 1748 CA ASP A 109 -12.391 13.474 2.390 1.00 41.24 C ATOM 1749 C ASP A 109 -12.729 11.966 2.196 1.00 4.02 C ATOM 1750 O ASP A 109 -13.297 11.335 3.090 1.00 23.53 O ATOM 1751 CB ASP A 109 -13.416 14.381 1.669 1.00 2.31 C ATOM 1752 CG ASP A 109 -14.829 14.284 2.268 1.00 71.54 C ATOM 1753 OD1 ASP A 109 -15.008 14.676 3.442 1.00 4.53 O ATOM 1754 OD2 ASP A 109 -15.760 13.827 1.577 1.00 64.13 O ATOM 0 H ASP A 109 -11.013 14.505 1.182 1.00 60.41 H new ATOM 0 HA ASP A 109 -12.440 13.664 3.462 1.00 41.24 H new ATOM 0 HB2 ASP A 109 -13.076 15.415 1.719 1.00 2.31 H new ATOM 0 HB3 ASP A 109 -13.455 14.109 0.614 1.00 2.31 H new ATOM 1759 N ASP A 110 -12.340 11.406 1.033 1.00 2.31 N ATOM 1760 CA ASP A 110 -12.533 9.972 0.707 1.00 75.43 C ATOM 1761 C ASP A 110 -11.515 9.065 1.440 1.00 3.14 C ATOM 1762 O ASP A 110 -11.858 7.959 1.853 1.00 72.03 O ATOM 1763 CB ASP A 110 -12.419 9.767 -0.817 1.00 11.44 C ATOM 1764 CG ASP A 110 -13.464 10.585 -1.577 1.00 11.54 C ATOM 1765 OD1 ASP A 110 -13.205 11.767 -1.881 1.00 42.32 O ATOM 1766 OD2 ASP A 110 -14.569 10.063 -1.847 1.00 75.12 O ATOM 0 H ASP A 110 -11.882 11.933 0.290 1.00 2.31 H new ATOM 0 HA ASP A 110 -13.528 9.686 1.048 1.00 75.43 H new ATOM 0 HB2 ASP A 110 -11.421 10.053 -1.149 1.00 11.44 H new ATOM 0 HB3 ASP A 110 -12.543 8.710 -1.052 1.00 11.44 H new ATOM 1771 N LEU A 111 -10.265 9.545 1.583 1.00 60.43 N ATOM 1772 CA LEU A 111 -9.186 8.802 2.288 1.00 15.23 C ATOM 1773 C LEU A 111 -9.530 8.569 3.782 1.00 73.31 C ATOM 1774 O LEU A 111 -9.433 7.451 4.271 1.00 51.55 O ATOM 1775 CB LEU A 111 -7.814 9.548 2.142 1.00 54.31 C ATOM 1776 CG LEU A 111 -6.964 9.227 0.863 1.00 52.00 C ATOM 1777 CD1 LEU A 111 -6.526 7.753 0.846 1.00 73.22 C ATOM 1778 CD2 LEU A 111 -7.699 9.606 -0.435 1.00 61.00 C ATOM 0 H LEU A 111 -9.969 10.451 1.219 1.00 60.43 H new ATOM 0 HA LEU A 111 -9.100 7.823 1.817 1.00 15.23 H new ATOM 0 HB2 LEU A 111 -8.007 10.621 2.160 1.00 54.31 H new ATOM 0 HB3 LEU A 111 -7.208 9.318 3.018 1.00 54.31 H new ATOM 0 HG LEU A 111 -6.068 9.846 0.911 1.00 52.00 H new ATOM 0 HD11 LEU A 111 -5.939 7.558 -0.051 1.00 73.22 H new ATOM 0 HD12 LEU A 111 -5.921 7.543 1.728 1.00 73.22 H new ATOM 0 HD13 LEU A 111 -7.407 7.112 0.849 1.00 73.22 H new ATOM 0 HD21 LEU A 111 -7.071 9.365 -1.293 1.00 61.00 H new ATOM 0 HD22 LEU A 111 -8.633 9.047 -0.501 1.00 61.00 H new ATOM 0 HD23 LEU A 111 -7.915 10.674 -0.432 1.00 61.00 H new ATOM 1790 N LYS A 112 -9.927 9.636 4.489 1.00 54.45 N ATOM 1791 CA LYS A 112 -10.291 9.571 5.930 1.00 12.23 C ATOM 1792 C LYS A 112 -11.672 8.902 6.154 1.00 70.12 C ATOM 1793 O LYS A 112 -11.906 8.311 7.207 1.00 2.40 O ATOM 1794 CB LYS A 112 -10.210 10.973 6.599 1.00 65.12 C ATOM 1795 CG LYS A 112 -8.765 11.478 6.874 1.00 20.12 C ATOM 1796 CD LYS A 112 -7.967 11.863 5.605 1.00 34.03 C ATOM 1797 CE LYS A 112 -6.553 12.372 5.920 1.00 73.33 C ATOM 1798 NZ LYS A 112 -6.559 13.560 6.813 1.00 22.43 N ATOM 0 H LYS A 112 -10.008 10.571 4.089 1.00 54.45 H new ATOM 0 HA LYS A 112 -9.554 8.934 6.419 1.00 12.23 H new ATOM 0 HB2 LYS A 112 -10.718 11.696 5.960 1.00 65.12 H new ATOM 0 HB3 LYS A 112 -10.756 10.943 7.542 1.00 65.12 H new ATOM 0 HG2 LYS A 112 -8.816 12.345 7.533 1.00 20.12 H new ATOM 0 HG3 LYS A 112 -8.218 10.702 7.410 1.00 20.12 H new ATOM 0 HD2 LYS A 112 -7.898 10.996 4.948 1.00 34.03 H new ATOM 0 HD3 LYS A 112 -8.512 12.633 5.059 1.00 34.03 H new ATOM 0 HE2 LYS A 112 -5.979 11.573 6.389 1.00 73.33 H new ATOM 0 HE3 LYS A 112 -6.046 12.625 4.989 1.00 73.33 H new ATOM 0 HZ1 LYS A 112 -5.599 13.955 6.872 1.00 22.43 H new ATOM 0 HZ2 LYS A 112 -7.206 14.279 6.430 1.00 22.43 H new ATOM 0 HZ3 LYS A 112 -6.876 13.279 7.763 1.00 22.43 H new ATOM 1812 N GLU A 113 -12.585 9.033 5.173 1.00 33.41 N ATOM 1813 CA GLU A 113 -13.863 8.265 5.148 1.00 11.51 C ATOM 1814 C GLU A 113 -13.583 6.747 5.120 1.00 11.44 C ATOM 1815 O GLU A 113 -14.136 5.988 5.921 1.00 54.24 O ATOM 1816 CB GLU A 113 -14.718 8.691 3.918 1.00 2.44 C ATOM 1817 CG GLU A 113 -15.972 7.837 3.605 1.00 74.00 C ATOM 1818 CD GLU A 113 -17.011 7.791 4.738 1.00 50.24 C ATOM 1819 OE1 GLU A 113 -17.589 8.851 5.066 1.00 30.55 O ATOM 1820 OE2 GLU A 113 -17.272 6.698 5.283 1.00 23.43 O ATOM 0 H GLU A 113 -12.468 9.664 4.380 1.00 33.41 H new ATOM 0 HA GLU A 113 -14.424 8.488 6.055 1.00 11.51 H new ATOM 0 HB2 GLU A 113 -15.039 9.722 4.069 1.00 2.44 H new ATOM 0 HB3 GLU A 113 -14.074 8.683 3.038 1.00 2.44 H new ATOM 0 HG2 GLU A 113 -16.449 8.230 2.707 1.00 74.00 H new ATOM 0 HG3 GLU A 113 -15.655 6.819 3.378 1.00 74.00 H new ATOM 1827 N LEU A 114 -12.696 6.340 4.195 1.00 44.03 N ATOM 1828 CA LEU A 114 -12.195 4.956 4.090 1.00 10.33 C ATOM 1829 C LEU A 114 -11.548 4.503 5.421 1.00 30.50 C ATOM 1830 O LEU A 114 -11.960 3.511 6.006 1.00 33.01 O ATOM 1831 CB LEU A 114 -11.150 4.860 2.946 1.00 4.14 C ATOM 1832 CG LEU A 114 -10.532 3.446 2.695 1.00 44.44 C ATOM 1833 CD1 LEU A 114 -11.580 2.472 2.112 1.00 52.13 C ATOM 1834 CD2 LEU A 114 -9.274 3.532 1.801 1.00 60.40 C ATOM 0 H LEU A 114 -12.303 6.967 3.493 1.00 44.03 H new ATOM 0 HA LEU A 114 -13.039 4.301 3.872 1.00 10.33 H new ATOM 0 HB2 LEU A 114 -11.621 5.197 2.023 1.00 4.14 H new ATOM 0 HB3 LEU A 114 -10.339 5.555 3.163 1.00 4.14 H new ATOM 0 HG LEU A 114 -10.217 3.046 3.659 1.00 44.44 H new ATOM 0 HD11 LEU A 114 -11.120 1.498 1.949 1.00 52.13 H new ATOM 0 HD12 LEU A 114 -12.410 2.369 2.811 1.00 52.13 H new ATOM 0 HD13 LEU A 114 -11.951 2.862 1.164 1.00 52.13 H new ATOM 0 HD21 LEU A 114 -8.869 2.532 1.646 1.00 60.40 H new ATOM 0 HD22 LEU A 114 -9.541 3.969 0.839 1.00 60.40 H new ATOM 0 HD23 LEU A 114 -8.524 4.156 2.287 1.00 60.40 H new ATOM 1846 N TRP A 115 -10.575 5.304 5.894 1.00 64.14 N ATOM 1847 CA TRP A 115 -9.770 5.024 7.103 1.00 33.44 C ATOM 1848 C TRP A 115 -10.662 4.777 8.348 1.00 0.34 C ATOM 1849 O TRP A 115 -10.599 3.708 8.956 1.00 4.12 O ATOM 1850 CB TRP A 115 -8.779 6.201 7.357 1.00 45.54 C ATOM 1851 CG TRP A 115 -7.996 6.099 8.651 1.00 44.14 C ATOM 1852 CD1 TRP A 115 -6.942 5.271 8.919 1.00 62.11 C ATOM 1853 CD2 TRP A 115 -8.234 6.840 9.858 1.00 10.44 C ATOM 1854 NE1 TRP A 115 -6.514 5.461 10.208 1.00 43.42 N ATOM 1855 CE2 TRP A 115 -7.292 6.412 10.805 1.00 21.02 C ATOM 1856 CE3 TRP A 115 -9.162 7.827 10.220 1.00 0.10 C ATOM 1857 CZ2 TRP A 115 -7.246 6.935 12.098 1.00 61.21 C ATOM 1858 CZ3 TRP A 115 -9.120 8.345 11.499 1.00 2.21 C ATOM 1859 CH2 TRP A 115 -8.166 7.898 12.427 1.00 11.21 C ATOM 0 H TRP A 115 -10.320 6.181 5.440 1.00 64.14 H new ATOM 0 HA TRP A 115 -9.205 4.108 6.930 1.00 33.44 H new ATOM 0 HB2 TRP A 115 -8.076 6.253 6.526 1.00 45.54 H new ATOM 0 HB3 TRP A 115 -9.339 7.136 7.359 1.00 45.54 H new ATOM 0 HD1 TRP A 115 -6.510 4.571 8.219 1.00 62.11 H new ATOM 0 HE1 TRP A 115 -5.737 4.970 10.651 1.00 43.42 H new ATOM 0 HE3 TRP A 115 -9.897 8.176 9.510 1.00 0.10 H new ATOM 0 HZ2 TRP A 115 -6.513 6.594 12.814 1.00 61.21 H new ATOM 0 HZ3 TRP A 115 -9.831 9.104 11.790 1.00 2.21 H new ATOM 0 HH2 TRP A 115 -8.156 8.321 13.421 1.00 11.21 H new ATOM 1870 N ASP A 116 -11.520 5.763 8.673 1.00 41.54 N ATOM 1871 CA ASP A 116 -12.360 5.739 9.891 1.00 32.43 C ATOM 1872 C ASP A 116 -13.339 4.544 9.863 1.00 13.30 C ATOM 1873 O ASP A 116 -13.500 3.834 10.857 1.00 54.21 O ATOM 1874 CB ASP A 116 -13.137 7.079 10.023 1.00 54.41 C ATOM 1875 CG ASP A 116 -13.764 7.275 11.417 1.00 63.13 C ATOM 1876 OD1 ASP A 116 -14.881 6.767 11.671 1.00 54.13 O ATOM 1877 OD2 ASP A 116 -13.140 7.944 12.266 1.00 12.53 O ATOM 0 H ASP A 116 -11.652 6.598 8.102 1.00 41.54 H new ATOM 0 HA ASP A 116 -11.711 5.619 10.758 1.00 32.43 H new ATOM 0 HB2 ASP A 116 -12.460 7.908 9.815 1.00 54.41 H new ATOM 0 HB3 ASP A 116 -13.923 7.113 9.269 1.00 54.41 H new ATOM 1882 N SER A 117 -13.959 4.330 8.694 1.00 10.21 N ATOM 1883 CA SER A 117 -14.933 3.241 8.475 1.00 52.44 C ATOM 1884 C SER A 117 -14.283 1.842 8.536 1.00 51.10 C ATOM 1885 O SER A 117 -14.894 0.915 9.052 1.00 53.11 O ATOM 1886 CB SER A 117 -15.654 3.426 7.124 1.00 52.33 C ATOM 1887 OG SER A 117 -16.444 4.600 7.130 1.00 31.04 O ATOM 0 H SER A 117 -13.801 4.907 7.868 1.00 10.21 H new ATOM 0 HA SER A 117 -15.657 3.299 9.288 1.00 52.44 H new ATOM 0 HB2 SER A 117 -14.920 3.481 6.320 1.00 52.33 H new ATOM 0 HB3 SER A 117 -16.284 2.560 6.922 1.00 52.33 H new ATOM 0 HG SER A 117 -15.933 5.340 6.740 1.00 31.04 H new ATOM 1893 N GLN A 118 -13.045 1.696 8.018 1.00 3.02 N ATOM 1894 CA GLN A 118 -12.338 0.387 7.989 1.00 25.55 C ATOM 1895 C GLN A 118 -11.758 0.007 9.372 1.00 74.12 C ATOM 1896 O GLN A 118 -11.693 -1.169 9.702 1.00 74.32 O ATOM 1897 CB GLN A 118 -11.221 0.371 6.903 1.00 5.32 C ATOM 1898 CG GLN A 118 -11.724 0.468 5.442 1.00 41.13 C ATOM 1899 CD GLN A 118 -12.710 -0.636 5.043 1.00 62.33 C ATOM 1900 OE1 GLN A 118 -12.314 -1.701 4.579 1.00 35.24 O ATOM 1901 NE2 GLN A 118 -13.998 -0.389 5.211 1.00 23.31 N ATOM 0 H GLN A 118 -12.510 2.465 7.613 1.00 3.02 H new ATOM 0 HA GLN A 118 -13.082 -0.366 7.728 1.00 25.55 H new ATOM 0 HB2 GLN A 118 -10.540 1.201 7.092 1.00 5.32 H new ATOM 0 HB3 GLN A 118 -10.643 -0.547 7.012 1.00 5.32 H new ATOM 0 HG2 GLN A 118 -12.202 1.437 5.298 1.00 41.13 H new ATOM 0 HG3 GLN A 118 -10.866 0.433 4.771 1.00 41.13 H new ATOM 0 HE21 GLN A 118 -14.300 0.505 5.599 1.00 23.31 H new ATOM 0 HE22 GLN A 118 -14.690 -1.092 4.953 1.00 23.31 H new ATOM 1910 N VAL A 119 -11.339 1.014 10.163 1.00 44.44 N ATOM 1911 CA VAL A 119 -10.850 0.799 11.549 1.00 73.22 C ATOM 1912 C VAL A 119 -12.043 0.496 12.508 1.00 62.35 C ATOM 1913 O VAL A 119 -11.936 -0.347 13.413 1.00 52.45 O ATOM 1914 CB VAL A 119 -10.004 2.033 12.059 1.00 13.53 C ATOM 1915 CG1 VAL A 119 -9.544 1.856 13.529 1.00 32.41 C ATOM 1916 CG2 VAL A 119 -8.778 2.285 11.137 1.00 54.04 C ATOM 0 H VAL A 119 -11.328 1.991 9.869 1.00 44.44 H new ATOM 0 HA VAL A 119 -10.188 -0.067 11.544 1.00 73.22 H new ATOM 0 HB VAL A 119 -10.658 2.904 12.020 1.00 13.53 H new ATOM 0 HG11 VAL A 119 -8.966 2.727 13.837 1.00 32.41 H new ATOM 0 HG12 VAL A 119 -10.417 1.753 14.174 1.00 32.41 H new ATOM 0 HG13 VAL A 119 -8.925 0.963 13.611 1.00 32.41 H new ATOM 0 HG21 VAL A 119 -8.212 3.139 11.509 1.00 54.04 H new ATOM 0 HG22 VAL A 119 -8.140 1.402 11.131 1.00 54.04 H new ATOM 0 HG23 VAL A 119 -9.121 2.491 10.123 1.00 54.04 H new