USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 23:sc= 1.26 USER MOD Set 1.2: A 59 TYR OH : rot -152:sc= 0.777 USER MOD Set 2.1: A 48 LYS NZ :NH3+ 176:sc= -1.04 (180deg=-0.748) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 147:sc= 0.155 (180deg=0) USER MOD Set 2.3: A 51 ASN :FLIP amide:sc= -2.99! F(o=-5,f=-3.9!) USER MOD Set 3.1: A 9 CYS SG : rot 123:sc= -0.903 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.221 K(o=-0.68,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 160:sc= -0.441 (180deg=-1.47!) USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 0.347 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 0.0504 (180deg=0) USER MOD Single : A 42 TYR OH : rot 48:sc= 0.0058 USER MOD Single : A 44 SER OG : rot -45:sc= 0.978 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 169:sc= -1.74 (180deg=-2.14!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.0178 (180deg=0.00835) USER MOD Single : A 73 MET CE :methyl 167:sc= -0.0582 (180deg=-0.219) USER MOD Single : A 78 GLN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.795 F(o=-2.2,f=-0.8) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.498 -4.064 18.034 1.00 0.00 N ATOM 2 CA GLY A 1 -0.193 -2.838 17.681 1.00 0.00 C ATOM 3 C GLY A 1 -0.584 -2.023 18.898 1.00 0.00 C ATOM 4 O GLY A 1 -1.043 -2.572 19.900 1.00 0.00 O ATOM 0 H1 GLY A 1 0.744 -4.585 17.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.366 -3.834 18.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.120 -4.652 18.628 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.447 -2.237 17.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.087 -3.081 17.107 1.00 0.00 H new ATOM 8 N SER A 2 -0.402 -0.709 18.812 1.00 0.00 N ATOM 9 CA SER A 2 -0.734 0.183 19.917 1.00 0.00 C ATOM 10 C SER A 2 -1.240 1.525 19.398 1.00 0.00 C ATOM 11 O SER A 2 -0.975 1.902 18.257 1.00 0.00 O ATOM 12 CB SER A 2 0.488 0.397 20.813 1.00 0.00 C ATOM 13 OG SER A 2 1.562 0.964 20.083 1.00 0.00 O ATOM 0 H SER A 2 -0.026 -0.239 17.989 1.00 0.00 H new ATOM 0 HA SER A 2 -1.527 -0.283 20.502 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.224 1.051 21.644 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.799 -0.555 21.243 1.00 0.00 H new ATOM 0 HG SER A 2 2.330 1.093 20.678 1.00 0.00 H new ATOM 19 N SER A 3 -1.971 2.243 20.246 1.00 0.00 N ATOM 20 CA SER A 3 -2.518 3.542 19.873 1.00 0.00 C ATOM 21 C SER A 3 -1.421 4.602 19.831 1.00 0.00 C ATOM 22 O SER A 3 -0.481 4.570 20.624 1.00 0.00 O ATOM 23 CB SER A 3 -3.610 3.961 20.860 1.00 0.00 C ATOM 24 OG SER A 3 -4.645 2.995 20.916 1.00 0.00 O ATOM 0 H SER A 3 -2.198 1.947 21.195 1.00 0.00 H new ATOM 0 HA SER A 3 -2.952 3.454 18.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.177 4.093 21.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.023 4.925 20.562 1.00 0.00 H new ATOM 0 HG SER A 3 -5.329 3.285 21.555 1.00 0.00 H new ATOM 30 N GLY A 4 -1.549 5.541 18.898 1.00 0.00 N ATOM 31 CA GLY A 4 -0.563 6.597 18.768 1.00 0.00 C ATOM 32 C GLY A 4 -0.924 7.598 17.689 1.00 0.00 C ATOM 33 O GLY A 4 -2.014 7.541 17.119 1.00 0.00 O ATOM 0 H GLY A 4 -2.318 5.589 18.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.463 7.116 19.721 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.408 6.157 18.541 1.00 0.00 H new ATOM 37 N SER A 5 -0.007 8.518 17.407 1.00 0.00 N ATOM 38 CA SER A 5 -0.237 9.540 16.392 1.00 0.00 C ATOM 39 C SER A 5 -0.521 8.903 15.035 1.00 0.00 C ATOM 40 O SER A 5 0.044 7.864 14.693 1.00 0.00 O ATOM 41 CB SER A 5 0.976 10.467 16.288 1.00 0.00 C ATOM 42 OG SER A 5 0.672 11.619 15.521 1.00 0.00 O ATOM 0 H SER A 5 0.902 8.577 17.867 1.00 0.00 H new ATOM 0 HA SER A 5 -1.108 10.124 16.690 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.297 10.765 17.286 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.809 9.932 15.832 1.00 0.00 H new ATOM 0 HG SER A 5 1.462 12.196 15.471 1.00 0.00 H new ATOM 48 N SER A 6 -1.403 9.534 14.265 1.00 0.00 N ATOM 49 CA SER A 6 -1.767 9.028 12.947 1.00 0.00 C ATOM 50 C SER A 6 -1.374 10.021 11.857 1.00 0.00 C ATOM 51 O SER A 6 -1.285 11.224 12.099 1.00 0.00 O ATOM 52 CB SER A 6 -3.270 8.750 12.881 1.00 0.00 C ATOM 53 OG SER A 6 -4.017 9.946 13.022 1.00 0.00 O ATOM 0 H SER A 6 -1.878 10.396 14.532 1.00 0.00 H new ATOM 0 HA SER A 6 -1.225 8.097 12.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.514 8.275 11.931 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.548 8.049 13.668 1.00 0.00 H new ATOM 0 HG SER A 6 -4.974 9.741 12.975 1.00 0.00 H new ATOM 59 N GLY A 7 -1.139 9.506 10.653 1.00 0.00 N ATOM 60 CA GLY A 7 -0.758 10.360 9.543 1.00 0.00 C ATOM 61 C GLY A 7 -0.331 9.568 8.323 1.00 0.00 C ATOM 62 O GLY A 7 -0.964 9.648 7.271 1.00 0.00 O ATOM 0 H GLY A 7 -1.206 8.514 10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.597 11.004 9.279 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.059 11.012 9.854 1.00 0.00 H new ATOM 66 N ASN A 8 0.746 8.803 8.463 1.00 0.00 N ATOM 67 CA ASN A 8 1.259 7.996 7.362 1.00 0.00 C ATOM 68 C ASN A 8 0.125 7.260 6.654 1.00 0.00 C ATOM 69 O ASN A 8 -0.852 6.851 7.283 1.00 0.00 O ATOM 70 CB ASN A 8 2.291 6.990 7.877 1.00 0.00 C ATOM 71 CG ASN A 8 3.415 7.658 8.645 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.278 8.312 8.060 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.410 7.494 9.963 1.00 0.00 N ATOM 0 H ASN A 8 1.281 8.725 9.328 1.00 0.00 H new ATOM 0 HA ASN A 8 1.738 8.664 6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.796 6.263 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.708 6.438 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.142 7.919 10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.674 6.943 10.406 1.00 0.00 H new ATOM 80 N CYS A 9 0.262 7.095 5.343 1.00 0.00 N ATOM 81 CA CYS A 9 -0.750 6.409 4.548 1.00 0.00 C ATOM 82 C CYS A 9 -0.144 5.228 3.798 1.00 0.00 C ATOM 83 O CYS A 9 0.857 5.373 3.096 1.00 0.00 O ATOM 84 CB CYS A 9 -1.396 7.380 3.558 1.00 0.00 C ATOM 85 SG CYS A 9 -3.014 6.849 2.952 1.00 0.00 S ATOM 0 H CYS A 9 1.064 7.427 4.808 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.515 6.031 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.501 8.354 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.727 7.513 2.708 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.896 7.769 3.208 1.00 0.00 H new ATOM 91 N ARG A 10 -0.756 4.058 3.953 1.00 0.00 N ATOM 92 CA ARG A 10 -0.275 2.851 3.292 1.00 0.00 C ATOM 93 C ARG A 10 -1.429 2.086 2.651 1.00 0.00 C ATOM 94 O ARG A 10 -2.502 1.950 3.240 1.00 0.00 O ATOM 95 CB ARG A 10 0.453 1.952 4.294 1.00 0.00 C ATOM 96 CG ARG A 10 1.926 2.290 4.457 1.00 0.00 C ATOM 97 CD ARG A 10 2.565 1.472 5.568 1.00 0.00 C ATOM 98 NE ARG A 10 2.182 1.954 6.892 1.00 0.00 N ATOM 99 CZ ARG A 10 2.476 1.316 8.020 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.154 0.177 7.983 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.093 1.818 9.187 1.00 0.00 N ATOM 0 H ARG A 10 -1.586 3.921 4.530 1.00 0.00 H new ATOM 0 HA ARG A 10 0.421 3.148 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.039 2.030 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.360 0.915 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.449 2.103 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.035 3.352 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.272 0.427 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.650 1.510 5.468 1.00 0.00 H new ATOM 0 HE ARG A 10 1.660 2.828 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.451 -0.211 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.379 -0.311 8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.572 2.695 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.319 1.327 10.052 1.00 0.00 H new ATOM 115 N LEU A 11 -1.201 1.588 1.441 1.00 0.00 N ATOM 116 CA LEU A 11 -2.222 0.836 0.718 1.00 0.00 C ATOM 117 C LEU A 11 -1.993 -0.666 0.858 1.00 0.00 C ATOM 118 O LEU A 11 -0.859 -1.139 0.800 1.00 0.00 O ATOM 119 CB LEU A 11 -2.221 1.228 -0.760 1.00 0.00 C ATOM 120 CG LEU A 11 -2.769 2.618 -1.087 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.819 2.832 -2.592 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.149 2.805 -0.473 1.00 0.00 C ATOM 0 H LEU A 11 -0.319 1.691 0.939 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.192 1.079 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.198 1.166 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.805 0.491 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.098 3.362 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.211 3.826 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.815 2.742 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.467 2.081 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.524 3.799 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.830 2.053 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.083 2.696 0.610 1.00 0.00 H new ATOM 134 N PHE A 12 -3.079 -1.410 1.040 1.00 0.00 N ATOM 135 CA PHE A 12 -2.998 -2.858 1.187 1.00 0.00 C ATOM 136 C PHE A 12 -2.983 -3.543 -0.177 1.00 0.00 C ATOM 137 O PHE A 12 -4.022 -3.684 -0.823 1.00 0.00 O ATOM 138 CB PHE A 12 -4.174 -3.375 2.017 1.00 0.00 C ATOM 139 CG PHE A 12 -4.103 -4.847 2.306 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.441 -5.315 3.430 1.00 0.00 C ATOM 141 CD2 PHE A 12 -4.698 -5.763 1.454 1.00 0.00 C ATOM 142 CE1 PHE A 12 -3.375 -6.669 3.699 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.635 -7.118 1.717 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.971 -7.572 2.840 1.00 0.00 C ATOM 0 H PHE A 12 -4.026 -1.034 1.089 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.067 -3.094 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.211 -2.829 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.103 -3.161 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.971 -4.613 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.217 -5.414 0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.858 -7.021 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.104 -7.821 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.918 -8.631 3.046 1.00 0.00 H new ATOM 154 N ILE A 13 -1.800 -3.966 -0.607 1.00 0.00 N ATOM 155 CA ILE A 13 -1.650 -4.636 -1.893 1.00 0.00 C ATOM 156 C ILE A 13 -1.542 -6.147 -1.716 1.00 0.00 C ATOM 157 O ILE A 13 -0.490 -6.665 -1.344 1.00 0.00 O ATOM 158 CB ILE A 13 -0.409 -4.129 -2.650 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.346 -2.601 -2.606 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.428 -4.623 -4.089 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.578 -1.929 -3.170 1.00 0.00 C ATOM 0 H ILE A 13 -0.931 -3.857 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.541 -4.404 -2.476 1.00 0.00 H new ATOM 0 HB ILE A 13 0.482 -4.524 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.208 -2.281 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.528 -2.265 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.456 -4.256 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.430 -5.713 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.324 -4.254 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.464 -0.847 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.706 -2.220 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.454 -2.235 -2.598 1.00 0.00 H new ATOM 173 N GLY A 14 -2.638 -6.849 -1.987 1.00 0.00 N ATOM 174 CA GLY A 14 -2.645 -8.294 -1.854 1.00 0.00 C ATOM 175 C GLY A 14 -2.772 -8.999 -3.190 1.00 0.00 C ATOM 176 O GLY A 14 -3.309 -8.441 -4.146 1.00 0.00 O ATOM 0 H GLY A 14 -3.521 -6.443 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.726 -8.615 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.472 -8.592 -1.209 1.00 0.00 H new ATOM 180 N GLY A 15 -2.274 -10.230 -3.258 1.00 0.00 N ATOM 181 CA GLY A 15 -2.343 -10.991 -4.492 1.00 0.00 C ATOM 182 C GLY A 15 -1.177 -10.702 -5.416 1.00 0.00 C ATOM 183 O GLY A 15 -1.361 -10.163 -6.508 1.00 0.00 O ATOM 0 H GLY A 15 -1.824 -10.714 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.363 -12.055 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.276 -10.760 -5.006 1.00 0.00 H new ATOM 187 N ILE A 16 0.026 -11.060 -4.979 1.00 0.00 N ATOM 188 CA ILE A 16 1.225 -10.835 -5.776 1.00 0.00 C ATOM 189 C ILE A 16 2.207 -11.992 -5.630 1.00 0.00 C ATOM 190 O ILE A 16 2.228 -12.697 -4.621 1.00 0.00 O ATOM 191 CB ILE A 16 1.930 -9.525 -5.376 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.162 -9.487 -3.864 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.108 -8.325 -5.822 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.152 -8.428 -3.432 1.00 0.00 C ATOM 0 H ILE A 16 0.196 -11.507 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 16 0.904 -10.763 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 16 2.899 -9.483 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.210 -9.310 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.519 -10.463 -3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.618 -7.406 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.989 -8.348 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.127 -8.360 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.268 -8.458 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.116 -8.616 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.787 -7.445 -3.731 1.00 0.00 H new ATOM 206 N PRO A 17 3.043 -12.193 -6.660 1.00 0.00 N ATOM 207 CA PRO A 17 4.045 -13.263 -6.669 1.00 0.00 C ATOM 208 C PRO A 17 5.174 -13.008 -5.676 1.00 0.00 C ATOM 209 O PRO A 17 5.605 -11.870 -5.489 1.00 0.00 O ATOM 210 CB PRO A 17 4.579 -13.237 -8.103 1.00 0.00 C ATOM 211 CG PRO A 17 4.338 -11.843 -8.572 1.00 0.00 C ATOM 212 CD PRO A 17 3.074 -11.391 -7.894 1.00 0.00 C ATOM 0 HA PRO A 17 3.619 -14.222 -6.375 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.639 -13.488 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.061 -13.961 -8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.174 -11.194 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.233 -11.809 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.094 -10.323 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.197 -11.575 -8.515 1.00 0.00 H new ATOM 220 N LYS A 18 5.649 -14.074 -5.041 1.00 0.00 N ATOM 221 CA LYS A 18 6.730 -13.967 -4.068 1.00 0.00 C ATOM 222 C LYS A 18 8.074 -13.785 -4.765 1.00 0.00 C ATOM 223 O LYS A 18 8.909 -12.995 -4.326 1.00 0.00 O ATOM 224 CB LYS A 18 6.769 -15.213 -3.180 1.00 0.00 C ATOM 225 CG LYS A 18 5.402 -15.643 -2.675 1.00 0.00 C ATOM 226 CD LYS A 18 5.336 -17.145 -2.456 1.00 0.00 C ATOM 227 CE LYS A 18 4.125 -17.534 -1.621 1.00 0.00 C ATOM 228 NZ LYS A 18 4.140 -18.979 -1.262 1.00 0.00 N ATOM 0 H LYS A 18 5.302 -15.023 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 18 6.541 -13.091 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.215 -16.035 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.418 -15.020 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.180 -15.128 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.638 -15.345 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.293 -17.653 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.246 -17.482 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.103 -16.934 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.214 -17.307 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.299 -19.204 -0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.135 -19.552 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.997 -19.191 -0.712 1.00 0.00 H new ATOM 242 N MET A 19 8.275 -14.520 -5.854 1.00 0.00 N ATOM 243 CA MET A 19 9.518 -14.436 -6.613 1.00 0.00 C ATOM 244 C MET A 19 10.017 -12.996 -6.682 1.00 0.00 C ATOM 245 O MET A 19 11.214 -12.750 -6.828 1.00 0.00 O ATOM 246 CB MET A 19 9.315 -14.985 -8.027 1.00 0.00 C ATOM 247 CG MET A 19 8.497 -14.070 -8.923 1.00 0.00 C ATOM 248 SD MET A 19 8.121 -14.817 -10.521 1.00 0.00 S ATOM 249 CE MET A 19 7.601 -16.454 -10.015 1.00 0.00 C ATOM 0 H MET A 19 7.594 -15.180 -6.230 1.00 0.00 H new ATOM 0 HA MET A 19 10.268 -15.038 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.289 -15.153 -8.486 1.00 0.00 H new ATOM 0 HB3 MET A 19 8.821 -15.955 -7.964 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.566 -13.812 -8.419 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.043 -13.140 -9.081 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.013 -16.911 -10.811 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.478 -17.069 -9.814 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.995 -16.380 -9.112 1.00 0.00 H new ATOM 259 N LYS A 20 9.092 -12.048 -6.575 1.00 0.00 N ATOM 260 CA LYS A 20 9.438 -10.633 -6.624 1.00 0.00 C ATOM 261 C LYS A 20 10.063 -10.180 -5.308 1.00 0.00 C ATOM 262 O LYS A 20 10.304 -10.989 -4.412 1.00 0.00 O ATOM 263 CB LYS A 20 8.194 -9.793 -6.925 1.00 0.00 C ATOM 264 CG LYS A 20 7.386 -10.306 -8.105 1.00 0.00 C ATOM 265 CD LYS A 20 8.170 -10.210 -9.402 1.00 0.00 C ATOM 266 CE LYS A 20 7.622 -11.159 -10.457 1.00 0.00 C ATOM 267 NZ LYS A 20 8.666 -11.555 -11.443 1.00 0.00 N ATOM 0 H LYS A 20 8.097 -12.235 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 20 10.168 -10.490 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.557 -9.772 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.499 -8.765 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.100 -11.343 -7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.464 -9.731 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.132 -9.187 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.218 -10.441 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.224 -12.050 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.792 -10.682 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.372 -11.262 -12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.566 -11.093 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.790 -12.587 -11.421 1.00 0.00 H new ATOM 281 N LYS A 21 10.322 -8.881 -5.197 1.00 0.00 N ATOM 282 CA LYS A 21 10.916 -8.319 -3.991 1.00 0.00 C ATOM 283 C LYS A 21 10.348 -6.934 -3.699 1.00 0.00 C ATOM 284 O LYS A 21 9.831 -6.264 -4.593 1.00 0.00 O ATOM 285 CB LYS A 21 12.437 -8.238 -4.137 1.00 0.00 C ATOM 286 CG LYS A 21 13.072 -9.529 -4.624 1.00 0.00 C ATOM 287 CD LYS A 21 14.511 -9.313 -5.060 1.00 0.00 C ATOM 288 CE LYS A 21 14.596 -8.926 -6.529 1.00 0.00 C ATOM 289 NZ LYS A 21 15.992 -8.998 -7.042 1.00 0.00 N ATOM 0 H LYS A 21 10.129 -8.198 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 21 10.672 -8.976 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.684 -7.436 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.872 -7.970 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.040 -10.274 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.494 -9.928 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.964 -8.531 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.085 -10.224 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.959 -9.587 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.212 -7.914 -6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.007 -8.727 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.595 -8.348 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.350 -9.969 -6.940 1.00 0.00 H new ATOM 303 N ARG A 22 10.449 -6.510 -2.443 1.00 0.00 N ATOM 304 CA ARG A 22 9.945 -5.205 -2.034 1.00 0.00 C ATOM 305 C ARG A 22 10.440 -4.112 -2.977 1.00 0.00 C ATOM 306 O ARG A 22 9.707 -3.177 -3.297 1.00 0.00 O ATOM 307 CB ARG A 22 10.380 -4.893 -0.601 1.00 0.00 C ATOM 308 CG ARG A 22 11.875 -4.655 -0.456 1.00 0.00 C ATOM 309 CD ARG A 22 12.283 -4.546 1.004 1.00 0.00 C ATOM 310 NE ARG A 22 13.726 -4.682 1.181 1.00 0.00 N ATOM 311 CZ ARG A 22 14.368 -4.317 2.285 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.699 -3.799 3.306 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.683 -4.472 2.371 1.00 0.00 N ATOM 0 H ARG A 22 10.875 -7.052 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 22 8.856 -5.233 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.845 -4.010 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.088 -5.720 0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.422 -5.472 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.152 -3.741 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.958 -3.584 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.773 -5.317 1.581 1.00 0.00 H new ATOM 0 HE ARG A 22 14.271 -5.079 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.688 -3.680 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.196 -3.520 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.202 -4.872 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.175 -4.191 3.219 1.00 0.00 H new ATOM 327 N GLU A 23 11.688 -4.237 -3.417 1.00 0.00 N ATOM 328 CA GLU A 23 12.280 -3.259 -4.322 1.00 0.00 C ATOM 329 C GLU A 23 11.601 -3.300 -5.688 1.00 0.00 C ATOM 330 O GLU A 23 11.345 -2.261 -6.296 1.00 0.00 O ATOM 331 CB GLU A 23 13.780 -3.518 -4.478 1.00 0.00 C ATOM 332 CG GLU A 23 14.111 -4.935 -4.914 1.00 0.00 C ATOM 333 CD GLU A 23 15.586 -5.126 -5.207 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.109 -4.425 -6.098 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.218 -5.977 -4.545 1.00 0.00 O ATOM 0 H GLU A 23 12.308 -5.005 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 23 12.132 -2.268 -3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.187 -2.818 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.276 -3.314 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.806 -5.632 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.533 -5.182 -5.804 1.00 0.00 H new ATOM 342 N GLU A 24 11.312 -4.508 -6.162 1.00 0.00 N ATOM 343 CA GLU A 24 10.663 -4.684 -7.457 1.00 0.00 C ATOM 344 C GLU A 24 9.216 -4.204 -7.410 1.00 0.00 C ATOM 345 O GLU A 24 8.761 -3.482 -8.299 1.00 0.00 O ATOM 346 CB GLU A 24 10.711 -6.154 -7.880 1.00 0.00 C ATOM 347 CG GLU A 24 12.073 -6.596 -8.389 1.00 0.00 C ATOM 348 CD GLU A 24 12.351 -6.121 -9.802 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.886 -5.019 -10.159 1.00 0.00 O ATOM 350 OE2 GLU A 24 13.034 -6.852 -10.549 1.00 0.00 O ATOM 0 H GLU A 24 11.516 -5.378 -5.670 1.00 0.00 H new ATOM 0 HA GLU A 24 11.203 -4.084 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.430 -6.777 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.968 -6.324 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.847 -6.215 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.133 -7.684 -8.357 1.00 0.00 H new ATOM 357 N ILE A 25 8.497 -4.609 -6.369 1.00 0.00 N ATOM 358 CA ILE A 25 7.102 -4.220 -6.206 1.00 0.00 C ATOM 359 C ILE A 25 6.937 -2.708 -6.314 1.00 0.00 C ATOM 360 O ILE A 25 6.075 -2.217 -7.044 1.00 0.00 O ATOM 361 CB ILE A 25 6.541 -4.691 -4.851 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.560 -6.219 -4.770 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.129 -4.162 -4.650 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.681 -6.748 -3.358 1.00 0.00 C ATOM 0 H ILE A 25 8.858 -5.207 -5.625 1.00 0.00 H new ATOM 0 HA ILE A 25 6.544 -4.702 -7.008 1.00 0.00 H new ATOM 0 HB ILE A 25 7.173 -4.296 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.647 -6.610 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.393 -6.596 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.746 -4.503 -3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.143 -3.072 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.485 -4.531 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.688 -7.838 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.608 -6.387 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.834 -6.401 -2.766 1.00 0.00 H new ATOM 376 N LEU A 26 7.769 -1.974 -5.584 1.00 0.00 N ATOM 377 CA LEU A 26 7.717 -0.516 -5.598 1.00 0.00 C ATOM 378 C LEU A 26 7.551 0.008 -7.021 1.00 0.00 C ATOM 379 O LEU A 26 6.575 0.691 -7.330 1.00 0.00 O ATOM 380 CB LEU A 26 8.986 0.065 -4.973 1.00 0.00 C ATOM 381 CG LEU A 26 9.256 1.544 -5.253 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.575 2.418 -4.211 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.753 1.816 -5.285 1.00 0.00 C ATOM 0 H LEU A 26 8.488 -2.364 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 26 6.854 -0.201 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.933 -0.076 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.839 -0.513 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 26 8.841 1.791 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.778 3.467 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.499 2.244 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.959 2.170 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.926 2.873 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.191 1.552 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.215 1.217 -6.070 1.00 0.00 H new ATOM 395 N GLU A 27 8.510 -0.317 -7.882 1.00 0.00 N ATOM 396 CA GLU A 27 8.468 0.121 -9.272 1.00 0.00 C ATOM 397 C GLU A 27 7.105 -0.168 -9.893 1.00 0.00 C ATOM 398 O GLU A 27 6.395 0.747 -10.308 1.00 0.00 O ATOM 399 CB GLU A 27 9.567 -0.572 -10.081 1.00 0.00 C ATOM 400 CG GLU A 27 9.991 0.201 -11.319 1.00 0.00 C ATOM 401 CD GLU A 27 10.483 -0.703 -12.432 1.00 0.00 C ATOM 402 OE1 GLU A 27 9.669 -1.486 -12.964 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.683 -0.627 -12.770 1.00 0.00 O ATOM 0 H GLU A 27 9.325 -0.882 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 27 8.636 1.198 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.437 -0.723 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.217 -1.560 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.149 0.791 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.780 0.904 -11.051 1.00 0.00 H new ATOM 410 N GLU A 28 6.747 -1.447 -9.952 1.00 0.00 N ATOM 411 CA GLU A 28 5.469 -1.857 -10.524 1.00 0.00 C ATOM 412 C GLU A 28 4.335 -0.979 -10.004 1.00 0.00 C ATOM 413 O GLU A 28 3.311 -0.812 -10.668 1.00 0.00 O ATOM 414 CB GLU A 28 5.185 -3.324 -10.195 1.00 0.00 C ATOM 415 CG GLU A 28 5.738 -4.296 -11.224 1.00 0.00 C ATOM 416 CD GLU A 28 5.341 -3.933 -12.641 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.254 -3.346 -12.822 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.119 -4.236 -13.570 1.00 0.00 O ATOM 0 H GLU A 28 7.323 -2.217 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 28 5.529 -1.740 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.612 -3.558 -9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.108 -3.468 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.825 -4.318 -11.150 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.382 -5.301 -10.997 1.00 0.00 H new ATOM 425 N ILE A 29 4.524 -0.421 -8.813 1.00 0.00 N ATOM 426 CA ILE A 29 3.518 0.440 -8.205 1.00 0.00 C ATOM 427 C ILE A 29 3.699 1.890 -8.639 1.00 0.00 C ATOM 428 O ILE A 29 2.726 2.599 -8.894 1.00 0.00 O ATOM 429 CB ILE A 29 3.569 0.367 -6.667 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.059 -0.992 -6.183 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.751 1.494 -6.055 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.680 -1.340 -6.699 1.00 0.00 C ATOM 0 H ILE A 29 5.365 -0.550 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 29 2.548 0.079 -8.546 1.00 0.00 H new ATOM 0 HB ILE A 29 4.605 0.481 -6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.760 -1.766 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.042 -0.997 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.797 1.428 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.155 2.454 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.714 1.409 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.384 -2.316 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.966 -0.587 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.695 -1.368 -7.789 1.00 0.00 H new ATOM 444 N ALA A 30 4.952 2.325 -8.723 1.00 0.00 N ATOM 445 CA ALA A 30 5.262 3.690 -9.131 1.00 0.00 C ATOM 446 C ALA A 30 4.639 4.013 -10.484 1.00 0.00 C ATOM 447 O ALA A 30 4.581 5.173 -10.892 1.00 0.00 O ATOM 448 CB ALA A 30 6.769 3.897 -9.178 1.00 0.00 C ATOM 0 H ALA A 30 5.769 1.752 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 30 4.836 4.370 -8.393 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.986 4.920 -9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.192 3.716 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.209 3.203 -9.894 1.00 0.00 H new ATOM 454 N LYS A 31 4.174 2.980 -11.178 1.00 0.00 N ATOM 455 CA LYS A 31 3.553 3.153 -12.486 1.00 0.00 C ATOM 456 C LYS A 31 2.036 3.032 -12.390 1.00 0.00 C ATOM 457 O LYS A 31 1.302 3.880 -12.897 1.00 0.00 O ATOM 458 CB LYS A 31 4.097 2.116 -13.473 1.00 0.00 C ATOM 459 CG LYS A 31 4.293 0.740 -12.861 1.00 0.00 C ATOM 460 CD LYS A 31 4.881 -0.237 -13.865 1.00 0.00 C ATOM 461 CE LYS A 31 6.375 -0.020 -14.046 1.00 0.00 C ATOM 462 NZ LYS A 31 7.003 -1.110 -14.843 1.00 0.00 N ATOM 0 H LYS A 31 4.215 2.013 -10.856 1.00 0.00 H new ATOM 0 HA LYS A 31 3.797 4.152 -12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.412 2.035 -14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.050 2.468 -13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.952 0.816 -11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.337 0.361 -12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.699 -1.258 -13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.377 -0.122 -14.824 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.545 0.936 -14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.854 0.037 -13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.905 -1.385 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.366 -1.932 -14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.177 -0.775 -15.812 1.00 0.00 H new ATOM 476 N VAL A 32 1.572 1.973 -11.733 1.00 0.00 N ATOM 477 CA VAL A 32 0.142 1.743 -11.568 1.00 0.00 C ATOM 478 C VAL A 32 -0.496 2.836 -10.718 1.00 0.00 C ATOM 479 O VAL A 32 -1.661 3.186 -10.907 1.00 0.00 O ATOM 480 CB VAL A 32 -0.135 0.375 -10.917 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.683 -0.714 -11.594 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.161 0.425 -9.425 1.00 0.00 C ATOM 0 H VAL A 32 2.166 1.262 -11.307 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.298 1.759 -12.565 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.191 0.138 -11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.474 -1.673 -11.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.418 -0.765 -12.650 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.744 -0.485 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.040 -0.550 -8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.208 0.685 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.473 1.176 -8.953 1.00 0.00 H new ATOM 492 N THR A 33 0.276 3.374 -9.778 1.00 0.00 N ATOM 493 CA THR A 33 -0.213 4.427 -8.898 1.00 0.00 C ATOM 494 C THR A 33 0.854 5.491 -8.668 1.00 0.00 C ATOM 495 O THR A 33 1.901 5.217 -8.084 1.00 0.00 O ATOM 496 CB THR A 33 -0.658 3.860 -7.536 1.00 0.00 C ATOM 497 OG1 THR A 33 0.475 3.349 -6.825 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.688 2.756 -7.720 1.00 0.00 C ATOM 0 H THR A 33 1.243 3.097 -9.607 1.00 0.00 H new ATOM 0 HA THR A 33 -1.072 4.879 -9.394 1.00 0.00 H new ATOM 0 HB THR A 33 -1.113 4.667 -6.962 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.290 3.783 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.987 2.371 -6.745 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.561 3.155 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.255 1.949 -8.311 1.00 0.00 H new ATOM 506 N GLU A 34 0.580 6.707 -9.131 1.00 0.00 N ATOM 507 CA GLU A 34 1.518 7.812 -8.976 1.00 0.00 C ATOM 508 C GLU A 34 1.327 8.503 -7.629 1.00 0.00 C ATOM 509 O GLU A 34 0.220 8.909 -7.278 1.00 0.00 O ATOM 510 CB GLU A 34 1.342 8.824 -10.110 1.00 0.00 C ATOM 511 CG GLU A 34 2.007 8.404 -11.410 1.00 0.00 C ATOM 512 CD GLU A 34 2.035 9.519 -12.437 1.00 0.00 C ATOM 513 OE1 GLU A 34 2.397 10.656 -12.070 1.00 0.00 O ATOM 514 OE2 GLU A 34 1.695 9.253 -13.609 1.00 0.00 O ATOM 0 H GLU A 34 -0.283 6.951 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 34 2.528 7.405 -9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.277 8.975 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.752 9.784 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.027 8.079 -11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.477 7.546 -11.824 1.00 0.00 H new ATOM 521 N GLY A 35 2.416 8.632 -6.876 1.00 0.00 N ATOM 522 CA GLY A 35 2.347 9.273 -5.576 1.00 0.00 C ATOM 523 C GLY A 35 2.863 8.383 -4.463 1.00 0.00 C ATOM 524 O GLY A 35 2.662 8.672 -3.283 1.00 0.00 O ATOM 0 H GLY A 35 3.344 8.304 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.927 10.196 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.314 9.551 -5.366 1.00 0.00 H new ATOM 528 N VAL A 36 3.529 7.295 -4.837 1.00 0.00 N ATOM 529 CA VAL A 36 4.074 6.359 -3.862 1.00 0.00 C ATOM 530 C VAL A 36 5.430 6.829 -3.348 1.00 0.00 C ATOM 531 O VAL A 36 6.284 7.263 -4.122 1.00 0.00 O ATOM 532 CB VAL A 36 4.226 4.948 -4.462 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.021 4.601 -5.322 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.513 4.848 -5.268 1.00 0.00 C ATOM 0 H VAL A 36 3.704 7.040 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 36 3.368 6.319 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 36 4.279 4.228 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.146 3.601 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.118 4.630 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.934 5.323 -6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.604 3.845 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.492 5.577 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.365 5.051 -4.619 1.00 0.00 H new ATOM 544 N LEU A 37 5.622 6.741 -2.036 1.00 0.00 N ATOM 545 CA LEU A 37 6.876 7.157 -1.417 1.00 0.00 C ATOM 546 C LEU A 37 7.842 5.982 -1.301 1.00 0.00 C ATOM 547 O LEU A 37 8.996 6.071 -1.721 1.00 0.00 O ATOM 548 CB LEU A 37 6.610 7.752 -0.033 1.00 0.00 C ATOM 549 CG LEU A 37 7.590 8.830 0.434 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.656 9.964 -0.577 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.191 9.356 1.804 1.00 0.00 C ATOM 0 H LEU A 37 4.926 6.386 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 37 7.332 7.917 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.606 8.176 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.617 6.942 0.696 1.00 0.00 H new ATOM 0 HG LEU A 37 8.581 8.384 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.358 10.722 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.990 9.575 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.667 10.409 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.899 10.122 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.191 9.786 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.196 8.537 2.524 1.00 0.00 H new ATOM 563 N ASP A 38 7.363 4.883 -0.730 1.00 0.00 N ATOM 564 CA ASP A 38 8.183 3.689 -0.562 1.00 0.00 C ATOM 565 C ASP A 38 7.316 2.473 -0.252 1.00 0.00 C ATOM 566 O ASP A 38 6.171 2.608 0.180 1.00 0.00 O ATOM 567 CB ASP A 38 9.206 3.900 0.555 1.00 0.00 C ATOM 568 CG ASP A 38 10.376 2.941 0.458 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.246 3.152 -0.413 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.422 1.979 1.253 1.00 0.00 O ATOM 0 H ASP A 38 6.411 4.794 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 38 8.711 3.507 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.576 4.925 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.716 3.774 1.521 1.00 0.00 H new ATOM 575 N VAL A 39 7.869 1.285 -0.477 1.00 0.00 N ATOM 576 CA VAL A 39 7.146 0.045 -0.222 1.00 0.00 C ATOM 577 C VAL A 39 7.752 -0.712 0.955 1.00 0.00 C ATOM 578 O VAL A 39 8.972 -0.829 1.069 1.00 0.00 O ATOM 579 CB VAL A 39 7.146 -0.870 -1.461 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.489 -2.204 -1.140 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.445 -0.188 -2.626 1.00 0.00 C ATOM 0 H VAL A 39 8.815 1.156 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 39 6.119 0.321 0.017 1.00 0.00 H new ATOM 0 HB VAL A 39 8.179 -1.062 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.498 -2.837 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.038 -2.696 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.459 -2.036 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.454 -0.848 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.414 0.035 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.964 0.739 -2.870 1.00 0.00 H new ATOM 591 N ILE A 40 6.891 -1.225 1.828 1.00 0.00 N ATOM 592 CA ILE A 40 7.341 -1.972 2.995 1.00 0.00 C ATOM 593 C ILE A 40 6.923 -3.436 2.906 1.00 0.00 C ATOM 594 O ILE A 40 5.886 -3.762 2.329 1.00 0.00 O ATOM 595 CB ILE A 40 6.784 -1.369 4.299 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.005 0.145 4.322 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.437 -2.024 5.506 1.00 0.00 C ATOM 598 CD1 ILE A 40 5.876 0.929 3.691 1.00 0.00 C ATOM 0 H ILE A 40 5.878 -1.137 1.749 1.00 0.00 H new ATOM 0 HA ILE A 40 8.429 -1.908 3.010 1.00 0.00 H new ATOM 0 HB ILE A 40 5.712 -1.561 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.130 0.470 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.934 0.377 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.033 -1.588 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.232 -3.095 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.514 -1.860 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.100 1.995 3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.765 0.632 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.949 0.727 4.227 1.00 0.00 H new ATOM 610 N VAL A 41 7.737 -4.314 3.483 1.00 0.00 N ATOM 611 CA VAL A 41 7.452 -5.744 3.471 1.00 0.00 C ATOM 612 C VAL A 41 7.777 -6.380 4.817 1.00 0.00 C ATOM 613 O VAL A 41 8.938 -6.438 5.224 1.00 0.00 O ATOM 614 CB VAL A 41 8.247 -6.466 2.368 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.704 -6.624 2.776 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.622 -7.818 2.059 1.00 0.00 C ATOM 0 H VAL A 41 8.599 -4.060 3.965 1.00 0.00 H new ATOM 0 HA VAL A 41 6.386 -5.853 3.269 1.00 0.00 H new ATOM 0 HB VAL A 41 8.212 -5.860 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.250 -7.136 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.144 -5.641 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.763 -7.208 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.197 -8.314 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.625 -8.434 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.596 -7.676 1.720 1.00 0.00 H new ATOM 626 N TYR A 42 6.746 -6.857 5.505 1.00 0.00 N ATOM 627 CA TYR A 42 6.921 -7.488 6.808 1.00 0.00 C ATOM 628 C TYR A 42 5.719 -8.360 7.157 1.00 0.00 C ATOM 629 O TYR A 42 4.576 -7.909 7.107 1.00 0.00 O ATOM 630 CB TYR A 42 7.126 -6.426 7.889 1.00 0.00 C ATOM 631 CG TYR A 42 5.909 -5.562 8.127 1.00 0.00 C ATOM 632 CD1 TYR A 42 5.416 -4.731 7.128 1.00 0.00 C ATOM 633 CD2 TYR A 42 5.251 -5.575 9.351 1.00 0.00 C ATOM 634 CE1 TYR A 42 4.305 -3.939 7.342 1.00 0.00 C ATOM 635 CE2 TYR A 42 4.138 -4.788 9.573 1.00 0.00 C ATOM 636 CZ TYR A 42 3.669 -3.971 8.565 1.00 0.00 C ATOM 637 OH TYR A 42 2.561 -3.185 8.783 1.00 0.00 O ATOM 0 H TYR A 42 5.779 -6.819 5.182 1.00 0.00 H new ATOM 0 HA TYR A 42 7.806 -8.123 6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.400 -6.918 8.822 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.964 -5.789 7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.910 -4.704 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.617 -6.212 10.143 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.936 -3.298 6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.638 -4.812 10.530 1.00 0.00 H new ATOM 0 HH TYR A 42 1.939 -3.281 8.032 1.00 0.00 H new ATOM 647 N ALA A 43 5.989 -9.613 7.511 1.00 0.00 N ATOM 648 CA ALA A 43 4.931 -10.549 7.872 1.00 0.00 C ATOM 649 C ALA A 43 5.294 -11.328 9.131 1.00 0.00 C ATOM 650 O ALA A 43 6.024 -12.318 9.071 1.00 0.00 O ATOM 651 CB ALA A 43 4.655 -11.502 6.719 1.00 0.00 C ATOM 0 H ALA A 43 6.931 -10.003 7.555 1.00 0.00 H new ATOM 0 HA ALA A 43 4.027 -9.976 8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.863 -12.196 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.343 -10.933 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.561 -12.061 6.485 1.00 0.00 H new ATOM 657 N SER A 44 4.780 -10.876 10.270 1.00 0.00 N ATOM 658 CA SER A 44 5.054 -11.529 11.545 1.00 0.00 C ATOM 659 C SER A 44 6.555 -11.711 11.751 1.00 0.00 C ATOM 660 O SER A 44 6.989 -12.607 12.474 1.00 0.00 O ATOM 661 CB SER A 44 4.351 -12.886 11.608 1.00 0.00 C ATOM 662 OG SER A 44 5.073 -13.869 10.885 1.00 0.00 O ATOM 0 H SER A 44 4.171 -10.060 10.336 1.00 0.00 H new ATOM 0 HA SER A 44 4.670 -10.891 12.342 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.248 -13.198 12.647 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.344 -12.797 11.200 1.00 0.00 H new ATOM 0 HG SER A 44 5.347 -13.502 10.019 1.00 0.00 H new ATOM 668 N ALA A 45 7.342 -10.854 11.109 1.00 0.00 N ATOM 669 CA ALA A 45 8.794 -10.917 11.222 1.00 0.00 C ATOM 670 C ALA A 45 9.446 -9.672 10.631 1.00 0.00 C ATOM 671 O ALA A 45 8.760 -8.744 10.204 1.00 0.00 O ATOM 672 CB ALA A 45 9.322 -12.168 10.536 1.00 0.00 C ATOM 0 H ALA A 45 6.998 -10.107 10.505 1.00 0.00 H new ATOM 0 HA ALA A 45 9.050 -10.960 12.281 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.408 -12.203 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.890 -13.051 11.007 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.048 -12.148 9.481 1.00 0.00 H new ATOM 678 N ALA A 46 10.775 -9.658 10.611 1.00 0.00 N ATOM 679 CA ALA A 46 11.519 -8.527 10.071 1.00 0.00 C ATOM 680 C ALA A 46 10.972 -8.110 8.710 1.00 0.00 C ATOM 681 O ALA A 46 10.335 -7.064 8.581 1.00 0.00 O ATOM 682 CB ALA A 46 12.997 -8.870 9.966 1.00 0.00 C ATOM 0 H ALA A 46 11.358 -10.417 10.963 1.00 0.00 H new ATOM 0 HA ALA A 46 11.400 -7.686 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.541 -8.016 9.561 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.386 -9.112 10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.125 -9.728 9.306 1.00 0.00 H new ATOM 688 N ASP A 47 11.226 -8.932 7.699 1.00 0.00 N ATOM 689 CA ASP A 47 10.759 -8.649 6.347 1.00 0.00 C ATOM 690 C ASP A 47 10.711 -9.923 5.509 1.00 0.00 C ATOM 691 O ASP A 47 11.668 -10.697 5.482 1.00 0.00 O ATOM 692 CB ASP A 47 11.668 -7.617 5.676 1.00 0.00 C ATOM 693 CG ASP A 47 13.064 -8.151 5.426 1.00 0.00 C ATOM 694 OD1 ASP A 47 13.749 -8.506 6.409 1.00 0.00 O ATOM 695 OD2 ASP A 47 13.472 -8.216 4.248 1.00 0.00 O ATOM 0 H ASP A 47 11.753 -9.801 7.790 1.00 0.00 H new ATOM 0 HA ASP A 47 9.750 -8.243 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.225 -7.308 4.729 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.729 -6.728 6.304 1.00 0.00 H new ATOM 700 N LYS A 48 9.590 -10.135 4.828 1.00 0.00 N ATOM 701 CA LYS A 48 9.416 -11.315 3.990 1.00 0.00 C ATOM 702 C LYS A 48 8.979 -10.923 2.582 1.00 0.00 C ATOM 703 O LYS A 48 7.786 -10.886 2.280 1.00 0.00 O ATOM 704 CB LYS A 48 8.385 -12.260 4.610 1.00 0.00 C ATOM 705 CG LYS A 48 8.835 -12.873 5.925 1.00 0.00 C ATOM 706 CD LYS A 48 7.856 -13.927 6.413 1.00 0.00 C ATOM 707 CE LYS A 48 8.526 -14.917 7.355 1.00 0.00 C ATOM 708 NZ LYS A 48 9.623 -15.666 6.682 1.00 0.00 N ATOM 0 H LYS A 48 8.788 -9.505 4.840 1.00 0.00 H new ATOM 0 HA LYS A 48 10.376 -11.827 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.456 -11.714 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.166 -13.059 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.821 -13.321 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.933 -12.090 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.024 -13.443 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.439 -14.461 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.926 -14.384 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.783 -15.620 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.099 -16.281 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.227 -16.248 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.310 -14.994 6.286 1.00 0.00 H new ATOM 722 N MET A 49 9.952 -10.631 1.725 1.00 0.00 N ATOM 723 CA MET A 49 9.666 -10.244 0.348 1.00 0.00 C ATOM 724 C MET A 49 9.971 -11.389 -0.613 1.00 0.00 C ATOM 725 O MET A 49 9.766 -11.271 -1.821 1.00 0.00 O ATOM 726 CB MET A 49 10.483 -9.009 -0.037 1.00 0.00 C ATOM 727 CG MET A 49 11.984 -9.206 0.102 1.00 0.00 C ATOM 728 SD MET A 49 12.687 -10.170 -1.249 1.00 0.00 S ATOM 729 CE MET A 49 14.422 -9.752 -1.097 1.00 0.00 C ATOM 0 H MET A 49 10.944 -10.655 1.959 1.00 0.00 H new ATOM 0 HA MET A 49 8.605 -10.006 0.277 1.00 0.00 H new ATOM 0 HB2 MET A 49 10.254 -8.739 -1.068 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.175 -8.171 0.588 1.00 0.00 H new ATOM 0 HG2 MET A 49 12.472 -8.232 0.140 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.195 -9.706 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 49 14.991 -10.273 -1.867 1.00 0.00 H new ATOM 0 HE2 MET A 49 14.549 -8.676 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 49 14.784 -10.052 -0.114 1.00 0.00 H new ATOM 739 N LYS A 50 10.461 -12.498 -0.069 1.00 0.00 N ATOM 740 CA LYS A 50 10.793 -13.665 -0.877 1.00 0.00 C ATOM 741 C LYS A 50 9.714 -14.737 -0.754 1.00 0.00 C ATOM 742 O LYS A 50 9.532 -15.554 -1.655 1.00 0.00 O ATOM 743 CB LYS A 50 12.146 -14.238 -0.451 1.00 0.00 C ATOM 744 CG LYS A 50 12.055 -15.222 0.702 1.00 0.00 C ATOM 745 CD LYS A 50 13.407 -15.838 1.019 1.00 0.00 C ATOM 746 CE LYS A 50 13.370 -16.626 2.320 1.00 0.00 C ATOM 747 NZ LYS A 50 12.636 -17.913 2.167 1.00 0.00 N ATOM 0 H LYS A 50 10.637 -12.613 0.929 1.00 0.00 H new ATOM 0 HA LYS A 50 10.851 -13.350 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.606 -14.734 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.805 -13.418 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.670 -14.713 1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.345 -16.010 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.709 -16.495 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.159 -15.052 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.389 -16.826 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.893 -16.026 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.061 -18.631 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.638 -17.777 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.695 -18.231 1.179 1.00 0.00 H new ATOM 761 N ASN A 51 9.000 -14.725 0.367 1.00 0.00 N ATOM 762 CA ASN A 51 7.939 -15.696 0.607 1.00 0.00 C ATOM 763 C ASN A 51 6.677 -15.007 1.118 1.00 0.00 C ATOM 764 O ASN A 51 6.252 -15.229 2.252 1.00 0.00 O ATOM 765 CB ASN A 51 8.401 -16.750 1.615 1.00 0.00 C ATOM 766 CG ASN A 51 8.933 -16.133 2.894 1.00 0.00 C ATOM 767 OD1 ASN A 51 10.240 -16.241 3.104 1.00 0.00 O flip ATOM 768 ND2 ASN A 51 8.178 -15.566 3.683 1.00 0.00 N flip ATOM 0 H ASN A 51 9.137 -14.054 1.123 1.00 0.00 H new ATOM 0 HA ASN A 51 7.708 -16.185 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.568 -17.411 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.177 -17.366 1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.180 -15.507 3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 51 8.550 -15.155 4.539 1.00 0.00 H new ATOM 775 N ARG A 52 6.082 -14.172 0.272 1.00 0.00 N ATOM 776 CA ARG A 52 4.869 -13.450 0.638 1.00 0.00 C ATOM 777 C ARG A 52 4.035 -13.127 -0.598 1.00 0.00 C ATOM 778 O ARG A 52 4.566 -12.990 -1.699 1.00 0.00 O ATOM 779 CB ARG A 52 5.222 -12.159 1.380 1.00 0.00 C ATOM 780 CG ARG A 52 5.402 -12.347 2.878 1.00 0.00 C ATOM 781 CD ARG A 52 4.101 -12.763 3.546 1.00 0.00 C ATOM 782 NE ARG A 52 3.903 -14.210 3.506 1.00 0.00 N ATOM 783 CZ ARG A 52 2.713 -14.792 3.609 1.00 0.00 C ATOM 784 NH1 ARG A 52 1.621 -14.054 3.757 1.00 0.00 N ATOM 785 NH2 ARG A 52 2.614 -16.114 3.563 1.00 0.00 N ATOM 0 H ARG A 52 6.420 -13.979 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 52 4.280 -14.089 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.141 -11.749 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.436 -11.424 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.165 -13.103 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.760 -11.418 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.102 -12.426 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.265 -12.269 3.051 1.00 0.00 H new ATOM 0 HE ARG A 52 4.723 -14.806 3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.694 -13.037 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.709 -14.503 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.452 -16.684 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.700 -16.560 3.642 1.00 0.00 H new ATOM 799 N GLY A 53 2.725 -13.006 -0.407 1.00 0.00 N ATOM 800 CA GLY A 53 1.839 -12.700 -1.515 1.00 0.00 C ATOM 801 C GLY A 53 1.198 -11.333 -1.384 1.00 0.00 C ATOM 802 O GLY A 53 0.100 -11.103 -1.892 1.00 0.00 O ATOM 0 H GLY A 53 2.261 -13.114 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.400 -12.747 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.059 -13.459 -1.573 1.00 0.00 H new ATOM 806 N PHE A 54 1.883 -10.423 -0.700 1.00 0.00 N ATOM 807 CA PHE A 54 1.373 -9.071 -0.502 1.00 0.00 C ATOM 808 C PHE A 54 2.504 -8.108 -0.157 1.00 0.00 C ATOM 809 O PHE A 54 3.628 -8.527 0.117 1.00 0.00 O ATOM 810 CB PHE A 54 0.320 -9.058 0.608 1.00 0.00 C ATOM 811 CG PHE A 54 0.235 -7.749 1.338 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.247 -7.352 2.198 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.857 -6.913 1.165 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.171 -6.148 2.871 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.939 -5.707 1.835 1.00 0.00 C ATOM 816 CZ PHE A 54 0.077 -5.324 2.689 1.00 0.00 C ATOM 0 H PHE A 54 2.793 -10.597 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 54 0.913 -8.743 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.654 -9.288 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.547 -9.849 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.105 -7.992 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.654 -7.208 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.966 -5.851 3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.796 -5.065 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.016 -4.382 3.214 1.00 0.00 H new ATOM 826 N ALA A 55 2.198 -6.815 -0.174 1.00 0.00 N ATOM 827 CA ALA A 55 3.188 -5.791 0.138 1.00 0.00 C ATOM 828 C ALA A 55 2.516 -4.475 0.516 1.00 0.00 C ATOM 829 O ALA A 55 1.380 -4.211 0.121 1.00 0.00 O ATOM 830 CB ALA A 55 4.126 -5.587 -1.042 1.00 0.00 C ATOM 0 H ALA A 55 1.272 -6.451 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 55 3.769 -6.131 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.860 -4.820 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.640 -6.522 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.552 -5.273 -1.913 1.00 0.00 H new ATOM 836 N PHE A 56 3.225 -3.653 1.283 1.00 0.00 N ATOM 837 CA PHE A 56 2.696 -2.365 1.716 1.00 0.00 C ATOM 838 C PHE A 56 3.278 -1.230 0.878 1.00 0.00 C ATOM 839 O PHE A 56 4.481 -1.187 0.620 1.00 0.00 O ATOM 840 CB PHE A 56 3.008 -2.133 3.196 1.00 0.00 C ATOM 841 CG PHE A 56 2.062 -2.840 4.125 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.763 -2.388 4.288 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.474 -3.956 4.836 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.110 -3.036 5.142 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.605 -4.608 5.691 1.00 0.00 C ATOM 846 CZ PHE A 56 0.313 -4.147 5.845 1.00 0.00 C ATOM 0 H PHE A 56 4.167 -3.856 1.617 1.00 0.00 H new ATOM 0 HA PHE A 56 1.615 -2.379 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.025 -2.467 3.402 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.976 -1.063 3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.428 -1.519 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.484 -4.320 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.121 -2.674 5.259 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.937 -5.478 6.238 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.366 -4.654 6.514 1.00 0.00 H new ATOM 856 N VAL A 57 2.414 -0.311 0.457 1.00 0.00 N ATOM 857 CA VAL A 57 2.841 0.825 -0.351 1.00 0.00 C ATOM 858 C VAL A 57 2.474 2.144 0.319 1.00 0.00 C ATOM 859 O VAL A 57 1.299 2.500 0.410 1.00 0.00 O ATOM 860 CB VAL A 57 2.210 0.783 -1.756 1.00 0.00 C ATOM 861 CG1 VAL A 57 3.013 1.636 -2.727 1.00 0.00 C ATOM 862 CG2 VAL A 57 2.109 -0.651 -2.251 1.00 0.00 C ATOM 0 H VAL A 57 1.415 -0.331 0.662 1.00 0.00 H new ATOM 0 HA VAL A 57 3.925 0.757 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 57 1.202 1.194 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.553 1.594 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.029 2.668 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.033 1.257 -2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.661 -0.662 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.105 -1.091 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.488 -1.229 -1.567 1.00 0.00 H new ATOM 872 N GLU A 58 3.487 2.867 0.787 1.00 0.00 N ATOM 873 CA GLU A 58 3.270 4.147 1.449 1.00 0.00 C ATOM 874 C GLU A 58 3.127 5.271 0.427 1.00 0.00 C ATOM 875 O GLU A 58 3.799 5.276 -0.604 1.00 0.00 O ATOM 876 CB GLU A 58 4.426 4.455 2.404 1.00 0.00 C ATOM 877 CG GLU A 58 4.040 5.375 3.550 1.00 0.00 C ATOM 878 CD GLU A 58 5.208 6.200 4.055 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.366 5.812 3.792 1.00 0.00 O ATOM 880 OE2 GLU A 58 4.964 7.233 4.711 1.00 0.00 O ATOM 0 H GLU A 58 4.466 2.588 0.720 1.00 0.00 H new ATOM 0 HA GLU A 58 2.344 4.079 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.807 3.519 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.240 4.912 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.243 6.043 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.639 4.779 4.370 1.00 0.00 H new ATOM 887 N TYR A 59 2.247 6.222 0.722 1.00 0.00 N ATOM 888 CA TYR A 59 2.013 7.350 -0.172 1.00 0.00 C ATOM 889 C TYR A 59 2.183 8.674 0.566 1.00 0.00 C ATOM 890 O TYR A 59 1.558 8.905 1.601 1.00 0.00 O ATOM 891 CB TYR A 59 0.610 7.266 -0.775 1.00 0.00 C ATOM 892 CG TYR A 59 0.437 6.122 -1.749 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.196 4.831 -1.298 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.513 6.334 -3.120 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.038 3.783 -2.184 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.354 5.292 -4.013 1.00 0.00 C ATOM 897 CZ TYR A 59 0.118 4.018 -3.540 1.00 0.00 C ATOM 898 OH TYR A 59 -0.041 2.977 -4.426 1.00 0.00 O ATOM 0 H TYR A 59 1.684 6.234 1.573 1.00 0.00 H new ATOM 0 HA TYR A 59 2.750 7.305 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.117 7.159 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.386 8.203 -1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.131 4.643 -0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.699 7.330 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.147 2.785 -1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.414 5.474 -5.076 1.00 0.00 H new ATOM 0 HH TYR A 59 0.456 3.169 -5.249 1.00 0.00 H new ATOM 908 N GLU A 60 3.034 9.541 0.025 1.00 0.00 N ATOM 909 CA GLU A 60 3.287 10.842 0.632 1.00 0.00 C ATOM 910 C GLU A 60 1.982 11.600 0.858 1.00 0.00 C ATOM 911 O GLU A 60 1.741 12.135 1.940 1.00 0.00 O ATOM 912 CB GLU A 60 4.223 11.669 -0.252 1.00 0.00 C ATOM 913 CG GLU A 60 3.702 11.876 -1.664 1.00 0.00 C ATOM 914 CD GLU A 60 4.699 12.591 -2.555 1.00 0.00 C ATOM 915 OE1 GLU A 60 4.680 13.840 -2.582 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.497 11.904 -3.225 1.00 0.00 O ATOM 0 H GLU A 60 3.559 9.366 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 60 3.763 10.677 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.383 12.642 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.194 11.175 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.457 10.909 -2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.777 12.451 -1.625 1.00 0.00 H new ATOM 923 N SER A 61 1.143 11.642 -0.172 1.00 0.00 N ATOM 924 CA SER A 61 -0.136 12.338 -0.089 1.00 0.00 C ATOM 925 C SER A 61 -1.243 11.389 0.360 1.00 0.00 C ATOM 926 O SER A 61 -1.518 10.383 -0.295 1.00 0.00 O ATOM 927 CB SER A 61 -0.495 12.953 -1.443 1.00 0.00 C ATOM 928 OG SER A 61 -1.365 14.061 -1.285 1.00 0.00 O ATOM 0 H SER A 61 1.326 11.202 -1.074 1.00 0.00 H new ATOM 0 HA SER A 61 -0.041 13.134 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.414 13.270 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.970 12.201 -2.073 1.00 0.00 H new ATOM 0 HG SER A 61 -1.578 14.437 -2.164 1.00 0.00 H new ATOM 934 N HIS A 62 -1.875 11.716 1.483 1.00 0.00 N ATOM 935 CA HIS A 62 -2.952 10.893 2.021 1.00 0.00 C ATOM 936 C HIS A 62 -3.913 10.465 0.916 1.00 0.00 C ATOM 937 O HIS A 62 -4.476 9.371 0.959 1.00 0.00 O ATOM 938 CB HIS A 62 -3.713 11.657 3.106 1.00 0.00 C ATOM 939 CG HIS A 62 -4.974 10.979 3.544 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.036 9.639 3.863 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.226 11.463 3.718 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.271 9.328 4.212 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.013 10.418 4.133 1.00 0.00 N ATOM 0 H HIS A 62 -1.660 12.545 2.038 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.508 9.999 2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.062 11.789 3.970 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.956 12.653 2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.546 12.482 3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.616 8.349 4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.009 10.474 4.346 1.00 0.00 H new ATOM 951 N ARG A 63 -4.096 11.335 -0.072 1.00 0.00 N ATOM 952 CA ARG A 63 -4.989 11.047 -1.188 1.00 0.00 C ATOM 953 C ARG A 63 -4.310 10.138 -2.208 1.00 0.00 C ATOM 954 O ARG A 63 -4.916 9.194 -2.713 1.00 0.00 O ATOM 955 CB ARG A 63 -5.433 12.347 -1.862 1.00 0.00 C ATOM 956 CG ARG A 63 -6.462 12.142 -2.961 1.00 0.00 C ATOM 957 CD ARG A 63 -7.853 11.918 -2.388 1.00 0.00 C ATOM 958 NE ARG A 63 -8.389 13.125 -1.766 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.383 13.118 -0.883 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.944 11.973 -0.522 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.816 14.258 -0.361 1.00 0.00 N ATOM 0 H ARG A 63 -3.638 12.245 -0.122 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.866 10.531 -0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.848 13.014 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.559 12.845 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.473 13.012 -3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.177 11.286 -3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.524 11.591 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.817 11.116 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.979 14.023 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.613 11.095 -0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.706 11.970 0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.386 15.141 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.579 14.252 0.316 1.00 0.00 H new ATOM 975 N ALA A 64 -3.049 10.432 -2.508 1.00 0.00 N ATOM 976 CA ALA A 64 -2.288 9.641 -3.466 1.00 0.00 C ATOM 977 C ALA A 64 -2.567 8.152 -3.294 1.00 0.00 C ATOM 978 O ALA A 64 -2.467 7.378 -4.246 1.00 0.00 O ATOM 979 CB ALA A 64 -0.799 9.921 -3.317 1.00 0.00 C ATOM 0 H ALA A 64 -2.533 11.212 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.603 9.929 -4.469 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.242 9.323 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.608 10.979 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.479 9.662 -2.308 1.00 0.00 H new ATOM 985 N ALA A 65 -2.918 7.757 -2.074 1.00 0.00 N ATOM 986 CA ALA A 65 -3.213 6.361 -1.779 1.00 0.00 C ATOM 987 C ALA A 65 -4.699 6.065 -1.952 1.00 0.00 C ATOM 988 O ALA A 65 -5.076 5.043 -2.523 1.00 0.00 O ATOM 989 CB ALA A 65 -2.765 6.014 -0.367 1.00 0.00 C ATOM 0 H ALA A 65 -3.005 8.385 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.661 5.742 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.992 4.968 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.691 6.178 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.291 6.647 0.348 1.00 0.00 H new ATOM 995 N ALA A 66 -5.539 6.967 -1.453 1.00 0.00 N ATOM 996 CA ALA A 66 -6.984 6.803 -1.554 1.00 0.00 C ATOM 997 C ALA A 66 -7.425 6.709 -3.010 1.00 0.00 C ATOM 998 O ALA A 66 -8.225 5.845 -3.371 1.00 0.00 O ATOM 999 CB ALA A 66 -7.695 7.954 -0.858 1.00 0.00 C ATOM 0 H ALA A 66 -5.243 7.818 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.255 5.870 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.773 7.819 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.412 7.974 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.410 8.895 -1.328 1.00 0.00 H new ATOM 1005 N MET A 67 -6.900 7.602 -3.842 1.00 0.00 N ATOM 1006 CA MET A 67 -7.240 7.618 -5.260 1.00 0.00 C ATOM 1007 C MET A 67 -6.464 6.546 -6.018 1.00 0.00 C ATOM 1008 O MET A 67 -6.880 6.106 -7.089 1.00 0.00 O ATOM 1009 CB MET A 67 -6.950 8.995 -5.861 1.00 0.00 C ATOM 1010 CG MET A 67 -5.486 9.396 -5.781 1.00 0.00 C ATOM 1011 SD MET A 67 -5.016 10.567 -7.070 1.00 0.00 S ATOM 1012 CE MET A 67 -3.295 10.849 -6.659 1.00 0.00 C ATOM 0 H MET A 67 -6.237 8.324 -3.559 1.00 0.00 H new ATOM 0 HA MET A 67 -8.305 7.405 -5.354 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.263 9.000 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.552 9.742 -5.344 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.287 9.837 -4.804 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.864 8.504 -5.861 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.812 11.394 -7.470 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.231 11.433 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.794 9.892 -6.515 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.334 6.131 -5.455 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.500 5.109 -6.077 1.00 0.00 C ATOM 1024 C ALA A 68 -5.179 3.744 -6.031 1.00 0.00 C ATOM 1025 O ALA A 68 -4.968 2.906 -6.907 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.142 5.049 -5.395 1.00 0.00 C ATOM 0 H ALA A 68 -4.975 6.487 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.357 5.379 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.530 4.282 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.647 6.016 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.275 4.806 -4.341 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.993 3.528 -5.003 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.701 2.264 -4.842 1.00 0.00 C ATOM 1034 C ARG A 69 -7.918 2.201 -5.760 1.00 0.00 C ATOM 1035 O ARG A 69 -8.254 1.142 -6.290 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.137 2.080 -3.387 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.960 3.238 -2.847 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.905 2.784 -1.746 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.942 3.775 -1.472 1.00 0.00 N ATOM 1040 CZ ARG A 69 -11.084 3.492 -0.854 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.332 2.255 -0.447 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.979 4.448 -0.641 1.00 0.00 N ATOM 0 H ARG A 69 -6.178 4.212 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.019 1.458 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.719 1.162 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.251 1.953 -2.764 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.294 4.010 -2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.533 3.687 -3.658 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.371 1.842 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.336 2.593 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.781 4.737 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.646 1.518 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.209 2.040 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.791 5.401 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.855 4.230 -0.167 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.573 3.342 -5.944 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.754 3.417 -6.796 1.00 0.00 C ATOM 1058 C ARG A 70 -9.408 3.051 -8.237 1.00 0.00 C ATOM 1059 O ARG A 70 -10.292 2.904 -9.081 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.357 4.821 -6.747 1.00 0.00 C ATOM 1061 CG ARG A 70 -11.442 5.055 -7.785 1.00 0.00 C ATOM 1062 CD ARG A 70 -12.393 6.163 -7.358 1.00 0.00 C ATOM 1063 NE ARG A 70 -13.708 6.024 -7.976 1.00 0.00 N ATOM 1064 CZ ARG A 70 -14.787 6.680 -7.564 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -14.707 7.516 -6.538 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -15.950 6.500 -8.178 1.00 0.00 N ATOM 0 H ARG A 70 -8.306 4.228 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.487 2.702 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.772 4.994 -5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.563 5.553 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.984 5.315 -8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.002 4.133 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.499 6.151 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.967 7.130 -7.626 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.804 5.388 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.815 7.657 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.537 8.019 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.016 5.857 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.778 7.004 -7.861 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.116 2.906 -8.511 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.651 2.557 -9.848 1.00 0.00 C ATOM 1082 C LYS A 71 -7.344 1.066 -9.946 1.00 0.00 C ATOM 1083 O LYS A 71 -7.363 0.488 -11.033 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.405 3.370 -10.206 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.824 3.026 -11.566 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.466 3.675 -11.773 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.750 3.096 -12.984 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.813 4.078 -13.597 1.00 0.00 N ATOM 0 H LYS A 71 -7.372 3.025 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.447 2.793 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.655 4.431 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.644 3.207 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.729 1.944 -11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.508 3.354 -12.348 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.591 4.750 -11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.853 3.531 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.198 2.204 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.485 2.784 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.487 3.719 -14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.302 4.986 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.995 4.215 -12.970 1.00 0.00 H new ATOM 1102 N LEU A 72 -7.064 0.449 -8.804 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.754 -0.976 -8.760 1.00 0.00 C ATOM 1104 C LEU A 72 -7.796 -1.735 -7.944 1.00 0.00 C ATOM 1105 O LEU A 72 -7.697 -2.949 -7.768 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.363 -1.198 -8.165 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.327 -0.112 -8.458 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.194 -0.168 -7.445 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.787 -0.258 -9.873 1.00 0.00 C ATOM 0 H LEU A 72 -7.045 0.913 -7.896 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.770 -1.358 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.463 -1.294 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.979 -2.148 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.814 0.860 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.466 0.612 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.594 -0.014 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.708 -1.143 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.051 0.523 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.316 -1.235 -9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.606 -0.167 -10.586 1.00 0.00 H new ATOM 1121 N MET A 73 -8.794 -1.011 -7.449 1.00 0.00 N ATOM 1122 CA MET A 73 -9.856 -1.616 -6.653 1.00 0.00 C ATOM 1123 C MET A 73 -10.608 -2.669 -7.462 1.00 0.00 C ATOM 1124 O MET A 73 -10.780 -3.810 -7.033 1.00 0.00 O ATOM 1125 CB MET A 73 -10.829 -0.543 -6.161 1.00 0.00 C ATOM 1126 CG MET A 73 -11.363 -0.803 -4.762 1.00 0.00 C ATOM 1127 SD MET A 73 -12.234 -2.377 -4.632 1.00 0.00 S ATOM 1128 CE MET A 73 -11.066 -3.331 -3.665 1.00 0.00 C ATOM 0 H MET A 73 -8.890 -0.005 -7.585 1.00 0.00 H new ATOM 0 HA MET A 73 -9.398 -2.103 -5.792 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.328 0.425 -6.176 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.667 -0.478 -6.855 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.535 -0.791 -4.053 1.00 0.00 H new ATOM 0 HG3 MET A 73 -12.037 0.005 -4.479 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.548 -4.240 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.210 -3.596 -4.286 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.727 -2.738 -2.815 1.00 0.00 H new ATOM 1138 N PRO A 74 -11.067 -2.279 -8.661 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.808 -3.174 -9.554 1.00 0.00 C ATOM 1140 C PRO A 74 -10.924 -4.269 -10.141 1.00 0.00 C ATOM 1141 O PRO A 74 -11.409 -5.182 -10.807 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.306 -2.240 -10.660 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.338 -1.108 -10.663 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.899 -0.934 -9.236 1.00 0.00 C ATOM 0 HA PRO A 74 -12.606 -3.702 -9.031 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.327 -2.745 -11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.320 -1.894 -10.459 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.487 -1.324 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.803 -0.198 -11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.865 -0.596 -9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.508 -0.195 -8.715 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.622 -4.172 -9.887 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.691 -5.162 -10.397 1.00 0.00 C ATOM 1154 C GLY A 75 -8.437 -5.006 -11.883 1.00 0.00 C ATOM 1155 O GLY A 75 -8.142 -5.982 -12.574 1.00 0.00 O ATOM 0 H GLY A 75 -9.196 -3.426 -9.337 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.746 -5.079 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.083 -6.160 -10.201 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.553 -3.778 -12.377 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.336 -3.499 -13.791 1.00 0.00 C ATOM 1161 C ARG A 76 -6.874 -3.717 -14.171 1.00 0.00 C ATOM 1162 O ARG A 76 -6.571 -4.193 -15.265 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.752 -2.064 -14.120 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.257 -1.863 -14.172 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.911 -2.804 -15.171 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.187 -2.286 -15.658 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.296 -1.221 -16.444 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.211 -0.565 -16.831 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -13.492 -0.811 -16.845 1.00 0.00 N ATOM 0 H ARG A 76 -8.796 -2.960 -11.818 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.950 -4.189 -14.370 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.330 -1.392 -13.373 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.323 -1.782 -15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.682 -2.029 -13.182 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.478 -0.831 -14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.238 -2.962 -16.014 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.069 -3.776 -14.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.041 -2.769 -15.379 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.290 -0.878 -16.525 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.298 0.253 -17.435 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.329 -1.314 -16.550 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.575 0.007 -17.449 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.973 -3.363 -13.260 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.544 -3.520 -13.499 1.00 0.00 C ATOM 1185 C ILE A 77 -4.000 -4.753 -12.786 1.00 0.00 C ATOM 1186 O ILE A 77 -4.469 -5.115 -11.708 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.756 -2.282 -13.034 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.098 -1.074 -13.908 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.261 -2.561 -13.069 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.262 -0.260 -13.386 1.00 0.00 C ATOM 0 H ILE A 77 -6.208 -2.966 -12.350 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.415 -3.639 -14.575 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.040 -2.055 -12.006 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.221 -0.431 -13.984 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.329 -1.419 -14.916 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.718 -1.676 -12.737 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.031 -3.397 -12.408 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.961 -2.811 -14.087 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.448 0.580 -14.055 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.152 -0.888 -13.336 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.026 0.115 -12.390 1.00 0.00 H new ATOM 1202 N GLN A 78 -3.006 -5.392 -13.395 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.397 -6.584 -12.817 1.00 0.00 C ATOM 1204 C GLN A 78 -0.883 -6.425 -12.712 1.00 0.00 C ATOM 1205 O GLN A 78 -0.272 -5.676 -13.476 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.735 -7.815 -13.660 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.209 -8.185 -13.633 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.514 -9.427 -14.446 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.832 -9.344 -15.633 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.419 -10.589 -13.811 1.00 0.00 N ATOM 0 H GLN A 78 -2.606 -5.104 -14.288 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.801 -6.718 -11.813 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.434 -7.633 -14.691 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.150 -8.662 -13.302 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.520 -8.346 -12.601 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.796 -7.351 -14.017 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.152 -10.612 -12.827 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.613 -11.459 -14.307 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.284 -7.134 -11.762 1.00 0.00 N ATOM 1220 CA LEU A 79 1.159 -7.072 -11.556 1.00 0.00 C ATOM 1221 C LEU A 79 1.830 -8.365 -12.007 1.00 0.00 C ATOM 1222 O LEU A 79 1.530 -9.443 -11.493 1.00 0.00 O ATOM 1223 CB LEU A 79 1.473 -6.808 -10.082 1.00 0.00 C ATOM 1224 CG LEU A 79 1.026 -5.453 -9.533 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.414 -5.316 -8.069 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.625 -4.320 -10.354 1.00 0.00 C ATOM 0 H LEU A 79 -0.775 -7.759 -11.122 1.00 0.00 H new ATOM 0 HA LEU A 79 1.552 -6.252 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.005 -7.591 -9.486 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.550 -6.898 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.060 -5.393 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.088 -4.345 -7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.936 -6.107 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.496 -5.398 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.296 -3.363 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.713 -4.377 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.296 -4.408 -11.389 1.00 0.00 H new ATOM 1238 N TRP A 80 2.739 -8.250 -12.968 1.00 0.00 N ATOM 1239 CA TRP A 80 3.454 -9.411 -13.486 1.00 0.00 C ATOM 1240 C TRP A 80 2.480 -10.485 -13.956 1.00 0.00 C ATOM 1241 O TRP A 80 2.741 -11.679 -13.812 1.00 0.00 O ATOM 1242 CB TRP A 80 4.385 -9.982 -12.416 1.00 0.00 C ATOM 1243 CG TRP A 80 5.229 -8.940 -11.745 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.342 -8.334 -12.255 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.029 -8.384 -10.441 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.845 -7.435 -11.346 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.058 -7.446 -10.226 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.080 -8.586 -9.435 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.163 -6.715 -9.046 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.186 -7.859 -8.265 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.220 -6.932 -8.078 1.00 0.00 C ATOM 0 H TRP A 80 2.999 -7.365 -13.404 1.00 0.00 H new ATOM 0 HA TRP A 80 4.049 -9.088 -14.340 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.788 -10.496 -11.663 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.036 -10.728 -12.872 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.764 -8.532 -13.229 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.671 -6.853 -11.483 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.279 -9.297 -9.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.961 -6.002 -8.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.459 -8.008 -7.480 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.274 -6.378 -7.152 1.00 0.00 H new ATOM 1262 N GLY A 81 1.355 -10.053 -14.519 1.00 0.00 N ATOM 1263 CA GLY A 81 0.359 -10.992 -15.001 1.00 0.00 C ATOM 1264 C GLY A 81 -0.421 -11.640 -13.874 1.00 0.00 C ATOM 1265 O GLY A 81 -1.181 -12.583 -14.097 1.00 0.00 O ATOM 0 H GLY A 81 1.116 -9.070 -14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.332 -10.474 -15.666 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.850 -11.766 -15.591 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.232 -11.134 -12.659 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.924 -11.671 -11.492 1.00 0.00 C ATOM 1271 C HIS A 82 -1.964 -10.682 -10.975 1.00 0.00 C ATOM 1272 O HIS A 82 -1.697 -9.485 -10.869 1.00 0.00 O ATOM 1273 CB HIS A 82 0.079 -12.000 -10.385 1.00 0.00 C ATOM 1274 CG HIS A 82 1.002 -13.128 -10.729 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.438 -13.581 -11.928 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.588 -13.937 -9.779 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.272 -14.644 -11.683 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.346 -14.838 -10.378 1.00 0.00 N flip ATOM 0 H HIS A 82 0.394 -10.354 -12.457 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.436 -12.586 -11.792 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.671 -11.111 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.466 -12.252 -9.475 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.449 -13.848 -8.712 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.784 -15.227 -12.434 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.895 -15.561 -9.912 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.150 -11.191 -10.655 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.230 -10.351 -10.150 1.00 0.00 C ATOM 1288 C GLN A 83 -3.846 -9.711 -8.821 1.00 0.00 C ATOM 1289 O GLN A 83 -3.271 -10.365 -7.949 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.508 -11.174 -9.984 1.00 0.00 C ATOM 1291 CG GLN A 83 -6.655 -10.397 -9.359 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.952 -11.181 -9.342 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.974 -12.373 -9.651 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -9.043 -10.516 -8.981 1.00 0.00 N ATOM 0 H GLN A 83 -3.387 -12.180 -10.736 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.409 -9.557 -10.875 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.821 -11.545 -10.960 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.291 -12.046 -9.366 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.388 -10.122 -8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.803 -9.469 -9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.980 -9.529 -8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.944 -10.992 -8.952 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.167 -8.430 -8.672 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.856 -7.703 -7.448 1.00 0.00 C ATOM 1305 C ILE A 84 -5.076 -6.947 -6.933 1.00 0.00 C ATOM 1306 O ILE A 84 -5.970 -6.595 -7.701 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.701 -6.706 -7.663 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.982 -5.822 -8.880 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.385 -7.449 -7.833 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.757 -4.567 -8.549 1.00 0.00 C ATOM 0 H ILE A 84 -4.642 -7.875 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.552 -8.444 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.623 -6.067 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.035 -5.543 -9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.539 -6.400 -9.617 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.579 -6.731 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.183 -8.040 -6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.449 -8.110 -8.698 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.920 -3.989 -9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.719 -4.838 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.192 -3.968 -7.835 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.104 -6.699 -5.627 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.212 -5.981 -5.010 1.00 0.00 C ATOM 1324 C ALA A 85 -5.705 -4.918 -4.041 1.00 0.00 C ATOM 1325 O ALA A 85 -4.670 -5.092 -3.398 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.136 -6.953 -4.292 1.00 0.00 C ATOM 0 H ALA A 85 -4.372 -6.985 -4.977 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.772 -5.479 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.959 -6.403 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.533 -7.673 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.579 -7.480 -3.518 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.441 -3.815 -3.942 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.066 -2.723 -3.052 1.00 0.00 C ATOM 1334 C VAL A 86 -7.115 -2.515 -1.965 1.00 0.00 C ATOM 1335 O VAL A 86 -8.296 -2.326 -2.257 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.878 -1.406 -3.827 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.651 -1.484 -4.724 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.123 -1.084 -4.640 1.00 0.00 C ATOM 0 H VAL A 86 -7.300 -3.654 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.119 -3.002 -2.591 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.723 -0.601 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.534 -0.544 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.766 -1.665 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.773 -2.299 -5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.973 -0.150 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.312 -1.889 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.978 -0.982 -3.971 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.676 -2.551 -0.712 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.577 -2.364 0.419 1.00 0.00 C ATOM 1350 C ASP A 87 -7.008 -1.350 1.406 1.00 0.00 C ATOM 1351 O ASP A 87 -5.832 -0.993 1.335 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.825 -3.698 1.126 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.313 -4.774 0.177 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -7.468 -5.387 -0.509 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.539 -5.003 0.119 1.00 0.00 O ATOM 0 H ASP A 87 -5.702 -2.708 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.524 -1.981 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.903 -4.030 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.560 -3.555 1.918 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.850 -0.888 2.323 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.430 0.087 3.324 1.00 0.00 C ATOM 1362 C TRP A 88 -6.667 -0.590 4.457 1.00 0.00 C ATOM 1363 O TRP A 88 -7.237 -1.359 5.229 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.645 0.829 3.883 1.00 0.00 C ATOM 1365 CG TRP A 88 -8.999 2.060 3.104 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.227 2.388 2.604 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.116 3.125 2.736 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.160 3.593 1.947 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -8.876 4.066 2.014 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -6.758 3.376 2.947 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.321 5.236 1.503 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.209 4.538 2.439 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -6.989 5.456 1.725 1.00 0.00 C ATOM 0 H TRP A 88 -8.827 -1.172 2.395 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.765 0.803 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.501 0.155 3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.447 1.107 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.119 1.789 2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.940 4.060 1.484 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.148 2.675 3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.921 5.945 0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.160 4.742 2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.530 6.355 1.342 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.374 -0.297 4.550 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.533 -0.876 5.591 1.00 0.00 C ATOM 1386 C ALA A 89 -5.117 -0.617 6.976 1.00 0.00 C ATOM 1387 O ALA A 89 -4.863 -1.369 7.916 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.120 -0.319 5.499 1.00 0.00 C ATOM 0 H ALA A 89 -4.886 0.337 3.918 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.497 -1.954 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.503 -0.760 6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.696 -0.561 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.147 0.763 5.625 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.899 0.451 7.093 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.518 0.808 8.364 1.00 0.00 C ATOM 1396 C GLU A 90 -8.036 0.881 8.229 1.00 0.00 C ATOM 1397 O GLU A 90 -8.602 1.906 7.850 1.00 0.00 O ATOM 1398 CB GLU A 90 -5.974 2.149 8.862 1.00 0.00 C ATOM 1399 CG GLU A 90 -6.092 3.270 7.842 1.00 0.00 C ATOM 1400 CD GLU A 90 -5.310 4.507 8.242 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -4.192 4.356 8.776 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -5.818 5.626 8.019 1.00 0.00 O ATOM 0 H GLU A 90 -6.119 1.084 6.324 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.272 0.032 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.509 2.435 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.926 2.027 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.735 2.916 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.142 3.533 7.717 1.00 0.00 H new ATOM 1409 N PRO A 91 -8.712 -0.233 8.548 1.00 0.00 N ATOM 1410 CA PRO A 91 -10.173 -0.321 8.470 1.00 0.00 C ATOM 1411 C PRO A 91 -10.862 0.520 9.539 1.00 0.00 C ATOM 1412 O PRO A 91 -11.791 1.272 9.247 1.00 0.00 O ATOM 1413 CB PRO A 91 -10.451 -1.809 8.699 1.00 0.00 C ATOM 1414 CG PRO A 91 -9.280 -2.297 9.480 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.102 -1.491 9.008 1.00 0.00 C ATOM 0 HA PRO A 91 -10.554 0.057 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -11.382 -1.958 9.246 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.547 -2.344 7.754 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.441 -2.163 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.116 -3.362 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.385 -1.320 9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.566 -1.995 8.204 1.00 0.00 H new ATOM 1423 N GLU A 92 -10.400 0.388 10.779 1.00 0.00 N ATOM 1424 CA GLU A 92 -10.973 1.136 11.891 1.00 0.00 C ATOM 1425 C GLU A 92 -9.891 1.899 12.649 1.00 0.00 C ATOM 1426 O GLU A 92 -9.380 1.426 13.665 1.00 0.00 O ATOM 1427 CB GLU A 92 -11.710 0.193 12.844 1.00 0.00 C ATOM 1428 CG GLU A 92 -12.889 -0.520 12.203 1.00 0.00 C ATOM 1429 CD GLU A 92 -13.865 -1.069 13.226 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -13.676 -2.222 13.667 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -14.818 -0.346 13.585 1.00 0.00 O ATOM 0 H GLU A 92 -9.631 -0.230 11.038 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.683 1.856 11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.008 -0.550 13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.064 0.762 13.704 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.412 0.172 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.521 -1.337 11.582 1.00 0.00 H new ATOM 1438 N ILE A 93 -9.546 3.080 12.148 1.00 0.00 N ATOM 1439 CA ILE A 93 -8.525 3.908 12.778 1.00 0.00 C ATOM 1440 C ILE A 93 -8.948 4.331 14.180 1.00 0.00 C ATOM 1441 O ILE A 93 -10.006 3.931 14.668 1.00 0.00 O ATOM 1442 CB ILE A 93 -8.227 5.167 11.942 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -8.494 4.897 10.460 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -6.789 5.616 12.154 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -9.895 5.263 10.022 1.00 0.00 C ATOM 0 H ILE A 93 -9.958 3.485 11.308 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.622 3.301 12.841 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.889 5.968 12.271 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.777 5.459 9.862 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -8.322 3.840 10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.594 6.507 11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.631 5.844 13.208 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.110 4.819 11.850 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -10.013 5.045 8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.618 4.682 10.594 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.064 6.326 10.195 1.00 0.00 H new ATOM 1457 N ASP A 94 -8.117 5.143 14.824 1.00 0.00 N ATOM 1458 CA ASP A 94 -8.406 5.623 16.170 1.00 0.00 C ATOM 1459 C ASP A 94 -9.073 6.994 16.126 1.00 0.00 C ATOM 1460 O ASP A 94 -8.818 7.848 16.976 1.00 0.00 O ATOM 1461 CB ASP A 94 -7.121 5.693 16.996 1.00 0.00 C ATOM 1462 CG ASP A 94 -6.745 4.353 17.597 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -7.539 3.819 18.400 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -5.657 3.838 17.264 1.00 0.00 O ATOM 0 H ASP A 94 -7.237 5.483 14.435 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.093 4.920 16.641 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.306 6.046 16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.245 6.424 17.795 1.00 0.00 H new ATOM 1469 N VAL A 95 -9.927 7.200 15.129 1.00 0.00 N ATOM 1470 CA VAL A 95 -10.631 8.467 14.974 1.00 0.00 C ATOM 1471 C VAL A 95 -11.942 8.467 15.752 1.00 0.00 C ATOM 1472 O VAL A 95 -12.558 9.514 15.952 1.00 0.00 O ATOM 1473 CB VAL A 95 -10.927 8.768 13.493 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -9.652 8.687 12.667 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -11.981 7.812 12.955 1.00 0.00 C ATOM 0 H VAL A 95 -10.148 6.505 14.416 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.976 9.242 15.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.317 9.783 13.418 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.880 8.903 11.623 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.931 9.415 13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.230 7.685 12.747 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -12.178 8.039 11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -11.621 6.787 13.042 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.901 7.924 13.529 1.00 0.00 H new ATOM 1485 N ASP A 96 -12.363 7.285 16.190 1.00 0.00 N ATOM 1486 CA ASP A 96 -13.601 7.148 16.948 1.00 0.00 C ATOM 1487 C ASP A 96 -13.847 8.379 17.815 1.00 0.00 C ATOM 1488 O ASP A 96 -14.987 8.809 17.988 1.00 0.00 O ATOM 1489 CB ASP A 96 -13.552 5.894 17.823 1.00 0.00 C ATOM 1490 CG ASP A 96 -14.933 5.388 18.189 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -15.494 4.583 17.416 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -15.455 5.798 19.248 1.00 0.00 O ATOM 0 H ASP A 96 -11.865 6.409 16.033 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.424 7.055 16.239 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.008 5.109 17.297 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.995 6.112 18.734 1.00 0.00 H new ATOM 1497 N GLU A 97 -12.770 8.939 18.358 1.00 0.00 N ATOM 1498 CA GLU A 97 -12.871 10.119 19.208 1.00 0.00 C ATOM 1499 C GLU A 97 -12.210 11.324 18.546 1.00 0.00 C ATOM 1500 O GLU A 97 -11.776 11.254 17.396 1.00 0.00 O ATOM 1501 CB GLU A 97 -12.223 9.851 20.568 1.00 0.00 C ATOM 1502 CG GLU A 97 -13.178 9.259 21.591 1.00 0.00 C ATOM 1503 CD GLU A 97 -14.531 9.942 21.590 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -14.569 11.186 21.686 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -15.554 9.231 21.492 1.00 0.00 O ATOM 0 H GLU A 97 -11.819 8.595 18.224 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.928 10.341 19.354 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.382 9.171 20.433 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.819 10.785 20.959 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -13.311 8.197 21.386 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.736 9.339 22.584 1.00 0.00 H new ATOM 1512 N ASP A 98 -12.137 12.429 19.280 1.00 0.00 N ATOM 1513 CA ASP A 98 -11.529 13.651 18.766 1.00 0.00 C ATOM 1514 C ASP A 98 -10.384 13.327 17.811 1.00 0.00 C ATOM 1515 O ASP A 98 -9.243 13.141 18.235 1.00 0.00 O ATOM 1516 CB ASP A 98 -11.020 14.517 19.918 1.00 0.00 C ATOM 1517 CG ASP A 98 -12.110 15.384 20.517 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -12.797 14.914 21.449 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -12.276 16.531 20.055 1.00 0.00 O ATOM 0 H ASP A 98 -12.492 12.504 20.233 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.291 14.204 18.217 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.603 13.875 20.694 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.210 15.153 19.560 1.00 0.00 H new ATOM 1524 N VAL A 99 -10.696 13.260 16.521 1.00 0.00 N ATOM 1525 CA VAL A 99 -9.694 12.959 15.506 1.00 0.00 C ATOM 1526 C VAL A 99 -8.595 14.015 15.489 1.00 0.00 C ATOM 1527 O VAL A 99 -7.455 13.734 15.118 1.00 0.00 O ATOM 1528 CB VAL A 99 -10.324 12.867 14.104 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -11.152 14.108 13.808 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -9.247 12.671 13.048 1.00 0.00 C ATOM 0 H VAL A 99 -11.636 13.410 16.154 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.262 11.993 15.765 1.00 0.00 H new ATOM 0 HB VAL A 99 -10.987 12.002 14.079 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.589 14.025 12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.948 14.200 14.547 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.513 14.990 13.851 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.710 12.608 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.557 13.514 13.071 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.701 11.750 13.252 1.00 0.00 H new ATOM 1540 N MET A 100 -8.944 15.232 15.894 1.00 0.00 N ATOM 1541 CA MET A 100 -7.986 16.331 15.926 1.00 0.00 C ATOM 1542 C MET A 100 -6.982 16.144 17.059 1.00 0.00 C ATOM 1543 O MET A 100 -7.188 15.322 17.952 1.00 0.00 O ATOM 1544 CB MET A 100 -8.715 17.666 16.091 1.00 0.00 C ATOM 1545 CG MET A 100 -9.713 17.955 14.981 1.00 0.00 C ATOM 1546 SD MET A 100 -10.489 19.574 15.148 1.00 0.00 S ATOM 1547 CE MET A 100 -9.992 20.348 13.611 1.00 0.00 C ATOM 0 H MET A 100 -9.883 15.482 16.204 1.00 0.00 H new ATOM 0 HA MET A 100 -7.444 16.335 14.980 1.00 0.00 H new ATOM 0 HB2 MET A 100 -9.237 17.670 17.048 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.980 18.470 16.126 1.00 0.00 H new ATOM 0 HG2 MET A 100 -9.206 17.897 14.018 1.00 0.00 H new ATOM 0 HG3 MET A 100 -10.484 17.185 14.982 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.396 21.359 13.565 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.904 20.389 13.560 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.373 19.767 12.771 1.00 0.00 H new ATOM 1557 N GLU A 101 -5.897 16.910 17.016 1.00 0.00 N ATOM 1558 CA GLU A 101 -4.862 16.826 18.039 1.00 0.00 C ATOM 1559 C GLU A 101 -5.169 17.766 19.202 1.00 0.00 C ATOM 1560 O GLU A 101 -4.701 18.904 19.236 1.00 0.00 O ATOM 1561 CB GLU A 101 -3.495 17.166 17.442 1.00 0.00 C ATOM 1562 CG GLU A 101 -2.385 17.257 18.475 1.00 0.00 C ATOM 1563 CD GLU A 101 -1.095 17.808 17.899 1.00 0.00 C ATOM 1564 OE1 GLU A 101 -0.758 17.451 16.751 1.00 0.00 O ATOM 1565 OE2 GLU A 101 -0.422 18.595 18.597 1.00 0.00 O ATOM 0 H GLU A 101 -5.712 17.596 16.284 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.842 15.803 18.416 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.232 16.408 16.704 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.565 18.116 16.912 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.711 17.892 19.298 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.199 16.267 18.891 1.00 0.00 H new ATOM 1572 N THR A 102 -5.959 17.280 20.154 1.00 0.00 N ATOM 1573 CA THR A 102 -6.331 18.076 21.318 1.00 0.00 C ATOM 1574 C THR A 102 -5.281 17.964 22.418 1.00 0.00 C ATOM 1575 O THR A 102 -4.555 16.973 22.499 1.00 0.00 O ATOM 1576 CB THR A 102 -7.697 17.642 21.882 1.00 0.00 C ATOM 1577 OG1 THR A 102 -7.661 16.257 22.244 1.00 0.00 O ATOM 1578 CG2 THR A 102 -8.802 17.876 20.862 1.00 0.00 C ATOM 0 H THR A 102 -6.354 16.340 20.142 1.00 0.00 H new ATOM 0 HA THR A 102 -6.396 19.112 20.985 1.00 0.00 H new ATOM 0 HB THR A 102 -7.907 18.243 22.767 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.533 15.990 22.603 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.758 17.562 21.282 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.847 18.936 20.611 1.00 0.00 H new ATOM 0 HG23 THR A 102 -8.594 17.298 19.962 1.00 0.00 H new ATOM 1586 N VAL A 103 -5.207 18.986 23.265 1.00 0.00 N ATOM 1587 CA VAL A 103 -4.247 19.001 24.362 1.00 0.00 C ATOM 1588 C VAL A 103 -4.452 17.808 25.288 1.00 0.00 C ATOM 1589 O VAL A 103 -5.462 17.110 25.204 1.00 0.00 O ATOM 1590 CB VAL A 103 -4.355 20.299 25.184 1.00 0.00 C ATOM 1591 CG1 VAL A 103 -3.947 21.499 24.343 1.00 0.00 C ATOM 1592 CG2 VAL A 103 -5.767 20.471 25.724 1.00 0.00 C ATOM 0 H VAL A 103 -5.800 19.814 23.212 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.255 18.944 23.915 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.672 20.230 26.031 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.030 22.407 24.940 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.916 21.376 24.010 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.602 21.575 23.475 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.826 21.393 26.302 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.471 20.518 24.893 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.017 19.625 26.364 1.00 0.00 H new ATOM 1602 N SER A 104 -3.486 17.579 26.172 1.00 0.00 N ATOM 1603 CA SER A 104 -3.558 16.467 27.113 1.00 0.00 C ATOM 1604 C SER A 104 -3.725 16.975 28.542 1.00 0.00 C ATOM 1605 O SER A 104 -3.125 17.976 28.931 1.00 0.00 O ATOM 1606 CB SER A 104 -2.301 15.602 27.010 1.00 0.00 C ATOM 1607 OG SER A 104 -2.544 14.290 27.488 1.00 0.00 O ATOM 0 H SER A 104 -2.644 18.149 26.256 1.00 0.00 H new ATOM 0 HA SER A 104 -4.428 15.862 26.857 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.970 15.559 25.973 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.494 16.058 27.584 1.00 0.00 H new ATOM 0 HG SER A 104 -1.726 13.757 27.410 1.00 0.00 H new ATOM 1613 N GLY A 105 -4.545 16.275 29.320 1.00 0.00 N ATOM 1614 CA GLY A 105 -4.777 16.669 30.698 1.00 0.00 C ATOM 1615 C GLY A 105 -4.896 18.172 30.859 1.00 0.00 C ATOM 1616 O GLY A 105 -4.023 18.828 31.427 1.00 0.00 O ATOM 0 H GLY A 105 -5.053 15.442 29.021 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.689 16.195 31.060 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.960 16.304 31.320 1.00 0.00 H new ATOM 1620 N PRO A 106 -5.998 18.740 30.348 1.00 0.00 N ATOM 1621 CA PRO A 106 -6.254 20.182 30.425 1.00 0.00 C ATOM 1622 C PRO A 106 -6.556 20.642 31.847 1.00 0.00 C ATOM 1623 O PRO A 106 -7.713 20.676 32.265 1.00 0.00 O ATOM 1624 CB PRO A 106 -7.480 20.373 29.529 1.00 0.00 C ATOM 1625 CG PRO A 106 -8.168 19.051 29.541 1.00 0.00 C ATOM 1626 CD PRO A 106 -7.080 18.019 29.657 1.00 0.00 C ATOM 0 HA PRO A 106 -5.388 20.767 30.115 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.130 21.161 29.910 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.191 20.660 28.518 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -8.863 18.981 30.377 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.749 18.905 28.630 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.410 17.149 30.225 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.762 17.659 28.679 1.00 0.00 H new ATOM 1634 N SER A 107 -5.509 20.996 32.584 1.00 0.00 N ATOM 1635 CA SER A 107 -5.662 21.451 33.961 1.00 0.00 C ATOM 1636 C SER A 107 -4.338 21.970 34.513 1.00 0.00 C ATOM 1637 O SER A 107 -3.294 21.339 34.348 1.00 0.00 O ATOM 1638 CB SER A 107 -6.184 20.314 34.842 1.00 0.00 C ATOM 1639 OG SER A 107 -6.685 20.810 36.071 1.00 0.00 O ATOM 0 H SER A 107 -4.545 20.977 32.251 1.00 0.00 H new ATOM 0 HA SER A 107 -6.384 22.268 33.969 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.972 19.774 34.316 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.382 19.601 35.034 1.00 0.00 H new ATOM 0 HG SER A 107 -7.014 20.064 36.615 1.00 0.00 H new ATOM 1645 N SER A 108 -4.389 23.125 35.168 1.00 0.00 N ATOM 1646 CA SER A 108 -3.194 23.733 35.742 1.00 0.00 C ATOM 1647 C SER A 108 -2.954 23.226 37.161 1.00 0.00 C ATOM 1648 O SER A 108 -3.677 23.584 38.090 1.00 0.00 O ATOM 1649 CB SER A 108 -3.323 25.257 35.747 1.00 0.00 C ATOM 1650 OG SER A 108 -2.049 25.877 35.777 1.00 0.00 O ATOM 0 H SER A 108 -5.245 23.659 35.315 1.00 0.00 H new ATOM 0 HA SER A 108 -2.341 23.450 35.125 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.868 25.582 34.861 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.905 25.573 36.613 1.00 0.00 H new ATOM 0 HG SER A 108 -2.159 26.851 35.778 1.00 0.00 H new ATOM 1656 N GLY A 109 -1.934 22.389 37.319 1.00 0.00 N ATOM 1657 CA GLY A 109 -1.616 21.846 38.627 1.00 0.00 C ATOM 1658 C GLY A 109 -2.841 21.323 39.351 1.00 0.00 C ATOM 1659 O GLY A 109 -3.339 21.959 40.280 1.00 0.00 O ATOM 0 H GLY A 109 -1.322 22.077 36.565 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.891 21.039 38.516 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.142 22.619 39.232 1.00 0.00 H new TER 1663 GLY A 109