USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 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 64 TYR OH : rot 30:sc= 0.0392 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 159:sc= 0.376 (180deg=-0.373) USER MOD Set 2.1: A 46 CYS SG : rot 120:sc= -0.125 USER MOD Set 2.2: A 52 CYS SG : rot 140:sc= -2.96! USER MOD Set 2.3: A 62 CYS SG : rot -156:sc= 1.18 USER MOD Set 2.4: A 65 CYS SG : rot 143:sc= -0.131 USER MOD Set 3.1: A 10 CYS SG : rot 160:sc= 0.548 USER MOD Set 3.2: A 13 CYS SG : rot -42:sc= 0.536 USER MOD Set 3.3: A 27 CYS SG : rot -130:sc= 1.77 USER MOD Set 3.4: A 30 CYS SG : rot 79:sc= 0.357 USER MOD Set 3.5: A 56 GLN : amide:sc= -2.13 K(o=1.1,f=1.6) USER MOD Set 4.1: A 26 THR OG1 : rot 179:sc= 0 USER MOD Set 4.2: A 75 MET CE :methyl -143:sc= -7.03! (180deg=-11!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -120:sc= 0.00194 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-4.7!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.892 USER MOD Single : A 24 GLN : amide:sc= -1.04 X(o=-1,f=-0.59) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -110:sc= 0.478 USER MOD Single : A 41 ASN : amide:sc=-0.00421 X(o=-0.0042,f=0) USER MOD Single : A 43 THR OG1 : rot 4:sc= 0.217 USER MOD Single : A 44 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 51 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.5!) USER MOD Single : A 63 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0447) USER MOD Single : A 70 CYS SG : rot 55:sc= 0.0155 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0787 (180deg=-0.519) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.469 15.401 2.596 1.00 0.00 N ATOM 67 CA ILE A 8 -6.126 14.274 3.454 1.00 0.00 C ATOM 68 C ILE A 8 -4.925 13.511 2.906 1.00 0.00 C ATOM 69 O ILE A 8 -4.757 13.388 1.694 1.00 0.00 O ATOM 70 CB ILE A 8 -7.311 13.302 3.609 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.598 14.076 3.901 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.029 12.295 4.714 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.844 13.221 3.837 1.00 0.00 C ATOM 0 HA ILE A 8 -5.876 14.687 4.431 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.441 12.758 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.526 14.525 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.691 14.894 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.875 11.615 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.133 11.726 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.876 12.822 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.718 13.835 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.940 12.793 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.773 12.418 4.571 1.00 0.00 H new ATOM 85 N GLU A 9 -4.094 12.999 3.809 1.00 0.00 N ATOM 86 CA GLU A 9 -2.908 12.247 3.415 1.00 0.00 C ATOM 87 C GLU A 9 -3.105 10.754 3.663 1.00 0.00 C ATOM 88 O GLU A 9 -4.063 10.342 4.317 1.00 0.00 O ATOM 89 CB GLU A 9 -1.682 12.745 4.182 1.00 0.00 C ATOM 90 CG GLU A 9 -1.950 13.009 5.654 1.00 0.00 C ATOM 91 CD GLU A 9 -0.686 12.983 6.491 1.00 0.00 C ATOM 92 OE1 GLU A 9 0.303 13.634 6.093 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.686 12.313 7.545 1.00 0.00 O ATOM 0 H GLU A 9 -4.220 13.091 4.817 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.747 12.404 2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.884 12.007 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.321 13.662 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.433 13.980 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.647 12.261 6.032 1.00 0.00 H new ATOM 100 N CYS A 10 -2.190 9.947 3.135 1.00 0.00 N ATOM 101 CA CYS A 10 -2.261 8.500 3.297 1.00 0.00 C ATOM 102 C CYS A 10 -1.644 8.070 4.625 1.00 0.00 C ATOM 103 O CYS A 10 -0.511 8.433 4.942 1.00 0.00 O ATOM 104 CB CYS A 10 -1.545 7.801 2.140 1.00 0.00 C ATOM 105 SG CYS A 10 -1.636 5.982 2.200 1.00 0.00 S ATOM 0 H CYS A 10 -1.390 10.271 2.591 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.312 8.210 3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.975 8.145 1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.497 8.102 2.140 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.407 5.497 1.016 1.00 0.00 H new ATOM 110 N VAL A 11 -2.397 7.294 5.398 1.00 0.00 N ATOM 111 CA VAL A 11 -1.925 6.813 6.691 1.00 0.00 C ATOM 112 C VAL A 11 -0.926 5.674 6.522 1.00 0.00 C ATOM 113 O VAL A 11 -0.545 5.019 7.492 1.00 0.00 O ATOM 114 CB VAL A 11 -3.093 6.331 7.571 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.989 7.498 7.955 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.888 5.250 6.855 1.00 0.00 C ATOM 0 H VAL A 11 -3.337 6.985 5.151 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.434 7.653 7.181 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.684 5.903 8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.809 7.138 8.577 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.409 8.235 8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.393 7.959 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.710 4.921 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.288 5.650 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.237 4.404 6.637 1.00 0.00 H new ATOM 126 N VAL A 12 -0.504 5.443 5.282 1.00 0.00 N ATOM 127 CA VAL A 12 0.452 4.383 4.985 1.00 0.00 C ATOM 128 C VAL A 12 1.757 4.956 4.446 1.00 0.00 C ATOM 129 O VAL A 12 2.834 4.689 4.981 1.00 0.00 O ATOM 130 CB VAL A 12 -0.118 3.383 3.962 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.897 2.292 3.659 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.420 2.784 4.473 1.00 0.00 C ATOM 0 H VAL A 12 -0.809 5.976 4.468 1.00 0.00 H new ATOM 0 HA VAL A 12 0.647 3.861 5.922 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.328 3.917 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.476 1.595 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.802 2.741 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.142 1.757 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.810 2.079 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.237 2.264 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.148 3.579 4.634 1.00 0.00 H new ATOM 142 N CYS A 13 1.655 5.747 3.383 1.00 0.00 N ATOM 143 CA CYS A 13 2.827 6.360 2.769 1.00 0.00 C ATOM 144 C CYS A 13 2.786 7.878 2.914 1.00 0.00 C ATOM 145 O CYS A 13 3.788 8.560 2.703 1.00 0.00 O ATOM 146 CB CYS A 13 2.912 5.979 1.290 1.00 0.00 C ATOM 147 SG CYS A 13 1.496 6.547 0.294 1.00 0.00 S ATOM 0 H CYS A 13 0.772 5.979 2.929 1.00 0.00 H new ATOM 0 HA CYS A 13 3.713 5.988 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.828 6.395 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.988 4.895 1.209 1.00 0.00 H new ATOM 0 HG CYS A 13 0.394 6.351 0.955 1.00 0.00 H new ATOM 152 N GLY A 14 1.619 8.401 3.276 1.00 0.00 N ATOM 153 CA GLY A 14 1.468 9.835 3.443 1.00 0.00 C ATOM 154 C GLY A 14 0.875 10.502 2.218 1.00 0.00 C ATOM 155 O GLY A 14 0.385 11.629 2.293 1.00 0.00 O ATOM 0 H GLY A 14 0.775 7.857 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.830 10.032 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.441 10.277 3.659 1.00 0.00 H new ATOM 159 N ASP A 15 0.922 9.807 1.087 1.00 0.00 N ATOM 160 CA ASP A 15 0.386 10.339 -0.160 1.00 0.00 C ATOM 161 C ASP A 15 -1.036 10.857 0.036 1.00 0.00 C ATOM 162 O ASP A 15 -1.840 10.244 0.739 1.00 0.00 O ATOM 163 CB ASP A 15 0.404 9.264 -1.248 1.00 0.00 C ATOM 164 CG ASP A 15 -0.026 9.801 -2.599 1.00 0.00 C ATOM 165 OD1 ASP A 15 -1.241 9.778 -2.886 1.00 0.00 O ATOM 166 OD2 ASP A 15 0.852 10.242 -3.370 1.00 0.00 O ATOM 0 H ASP A 15 1.326 8.874 1.008 1.00 0.00 H new ATOM 0 HA ASP A 15 1.017 11.171 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.409 8.849 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.256 8.447 -0.958 1.00 0.00 H new ATOM 171 N LYS A 16 -1.339 11.990 -0.588 1.00 0.00 N ATOM 172 CA LYS A 16 -2.663 12.592 -0.483 1.00 0.00 C ATOM 173 C LYS A 16 -3.754 11.538 -0.644 1.00 0.00 C ATOM 174 O LYS A 16 -4.046 11.099 -1.757 1.00 0.00 O ATOM 175 CB LYS A 16 -2.834 13.685 -1.540 1.00 0.00 C ATOM 176 CG LYS A 16 -3.910 14.701 -1.196 1.00 0.00 C ATOM 177 CD LYS A 16 -5.275 14.259 -1.698 1.00 0.00 C ATOM 178 CE LYS A 16 -6.326 15.335 -1.473 1.00 0.00 C ATOM 179 NZ LYS A 16 -7.698 14.843 -1.779 1.00 0.00 N ATOM 0 H LYS A 16 -0.685 12.510 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.755 13.036 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.884 14.204 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.077 13.220 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.947 14.842 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.655 15.666 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.215 14.024 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.574 13.344 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.284 15.673 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.102 16.198 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.385 15.606 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.746 14.544 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.922 14.035 -1.164 1.00 0.00 H new ATOM 193 N SER A 17 -4.353 11.138 0.472 1.00 0.00 N ATOM 194 CA SER A 17 -5.411 10.134 0.454 1.00 0.00 C ATOM 195 C SER A 17 -6.535 10.546 -0.491 1.00 0.00 C ATOM 196 O SER A 17 -6.918 11.714 -0.545 1.00 0.00 O ATOM 197 CB SER A 17 -5.966 9.922 1.864 1.00 0.00 C ATOM 198 OG SER A 17 -7.255 9.336 1.822 1.00 0.00 O ATOM 0 H SER A 17 -4.124 11.493 1.400 1.00 0.00 H new ATOM 0 HA SER A 17 -4.983 9.198 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.291 9.282 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.014 10.877 2.387 1.00 0.00 H new ATOM 0 HG SER A 17 -7.900 9.933 2.255 1.00 0.00 H new ATOM 204 N SER A 18 -7.060 9.577 -1.234 1.00 0.00 N ATOM 205 CA SER A 18 -8.138 9.838 -2.180 1.00 0.00 C ATOM 206 C SER A 18 -9.490 9.854 -1.473 1.00 0.00 C ATOM 207 O SER A 18 -10.451 10.448 -1.960 1.00 0.00 O ATOM 208 CB SER A 18 -8.141 8.782 -3.287 1.00 0.00 C ATOM 209 OG SER A 18 -8.834 9.246 -4.433 1.00 0.00 O ATOM 0 H SER A 18 -6.756 8.604 -1.199 1.00 0.00 H new ATOM 0 HA SER A 18 -7.968 10.819 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.115 8.530 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.609 7.868 -2.921 1.00 0.00 H new ATOM 0 HG SER A 18 -8.820 8.553 -5.126 1.00 0.00 H new ATOM 215 N GLY A 19 -9.555 9.195 -0.320 1.00 0.00 N ATOM 216 CA GLY A 19 -10.793 9.144 0.437 1.00 0.00 C ATOM 217 C GLY A 19 -10.766 8.086 1.522 1.00 0.00 C ATOM 218 O GLY A 19 -9.734 7.460 1.765 1.00 0.00 O ATOM 0 H GLY A 19 -8.773 8.696 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.980 10.118 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.622 8.943 -0.241 1.00 0.00 H new ATOM 222 N LYS A 20 -11.904 7.885 2.178 1.00 0.00 N ATOM 223 CA LYS A 20 -12.009 6.896 3.244 1.00 0.00 C ATOM 224 C LYS A 20 -12.230 5.500 2.670 1.00 0.00 C ATOM 225 O LYS A 20 -13.364 5.031 2.569 1.00 0.00 O ATOM 226 CB LYS A 20 -13.154 7.257 4.192 1.00 0.00 C ATOM 227 CG LYS A 20 -13.406 6.214 5.267 1.00 0.00 C ATOM 228 CD LYS A 20 -13.982 6.839 6.526 1.00 0.00 C ATOM 229 CE LYS A 20 -12.899 7.496 7.368 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.355 7.743 8.764 1.00 0.00 N ATOM 0 H LYS A 20 -12.767 8.395 1.990 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.072 6.897 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.932 8.212 4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.066 7.395 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.094 5.458 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.473 5.705 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.733 7.581 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.488 6.074 7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.014 6.860 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.605 8.440 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.589 8.192 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.184 8.371 8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.611 6.839 9.211 1.00 0.00 H new ATOM 244 N HIS A 21 -11.139 4.838 2.297 1.00 0.00 N ATOM 245 CA HIS A 21 -11.214 3.494 1.736 1.00 0.00 C ATOM 246 C HIS A 21 -10.931 2.443 2.805 1.00 0.00 C ATOM 247 O HIS A 21 -9.872 2.449 3.431 1.00 0.00 O ATOM 248 CB HIS A 21 -10.222 3.345 0.582 1.00 0.00 C ATOM 249 CG HIS A 21 -10.249 4.489 -0.384 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.409 4.952 -0.969 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.250 5.266 -0.865 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.122 5.963 -1.770 1.00 0.00 C ATOM 253 NE2 HIS A 21 -9.819 6.174 -1.724 1.00 0.00 N ATOM 0 H HIS A 21 -10.193 5.211 2.373 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.225 3.340 1.359 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.216 3.248 0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.439 2.422 0.045 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.342 4.573 -0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.201 5.187 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.832 6.522 -2.362 1.00 0.00 H new ATOM 261 N TYR A 22 -11.886 1.542 3.007 1.00 0.00 N ATOM 262 CA TYR A 22 -11.741 0.486 4.002 1.00 0.00 C ATOM 263 C TYR A 22 -11.756 1.062 5.415 1.00 0.00 C ATOM 264 O TYR A 22 -10.972 0.657 6.271 1.00 0.00 O ATOM 265 CB TYR A 22 -10.443 -0.289 3.770 1.00 0.00 C ATOM 266 CG TYR A 22 -10.256 -0.741 2.339 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.017 -1.777 1.811 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.318 -0.131 1.514 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.849 -2.193 0.505 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.144 -0.540 0.206 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.911 -1.571 -0.294 1.00 0.00 C ATOM 272 OH TYR A 22 -9.741 -1.982 -1.596 1.00 0.00 O ATOM 0 H TYR A 22 -12.768 1.522 2.495 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.586 -0.194 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.599 0.338 4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.429 -1.162 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.753 -2.265 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.715 0.676 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.448 -3.001 0.111 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.411 -0.055 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.043 -1.441 -2.021 1.00 0.00 H new ATOM 282 N GLY A 23 -12.657 2.012 5.650 1.00 0.00 N ATOM 283 CA GLY A 23 -12.759 2.630 6.959 1.00 0.00 C ATOM 284 C GLY A 23 -11.496 3.370 7.351 1.00 0.00 C ATOM 285 O GLY A 23 -11.267 3.638 8.530 1.00 0.00 O ATOM 0 H GLY A 23 -13.318 2.364 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.600 3.324 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.973 1.863 7.704 1.00 0.00 H new ATOM 289 N GLN A 24 -10.673 3.699 6.360 1.00 0.00 N ATOM 290 CA GLN A 24 -9.425 4.410 6.609 1.00 0.00 C ATOM 291 C GLN A 24 -9.026 5.249 5.399 1.00 0.00 C ATOM 292 O GLN A 24 -9.263 4.860 4.256 1.00 0.00 O ATOM 293 CB GLN A 24 -8.309 3.422 6.949 1.00 0.00 C ATOM 294 CG GLN A 24 -7.265 3.986 7.899 1.00 0.00 C ATOM 295 CD GLN A 24 -7.880 4.656 9.112 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.783 5.872 9.280 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.520 3.864 9.965 1.00 0.00 N ATOM 0 H GLN A 24 -10.848 3.485 5.378 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.580 5.078 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.749 2.529 7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.818 3.110 6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.607 3.182 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.646 4.707 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.576 2.861 9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.956 4.259 10.799 1.00 0.00 H new ATOM 306 N PHE A 25 -8.420 6.403 5.659 1.00 0.00 N ATOM 307 CA PHE A 25 -7.989 7.298 4.591 1.00 0.00 C ATOM 308 C PHE A 25 -6.650 6.850 4.014 1.00 0.00 C ATOM 309 O PHE A 25 -5.624 6.885 4.694 1.00 0.00 O ATOM 310 CB PHE A 25 -7.879 8.732 5.113 1.00 0.00 C ATOM 311 CG PHE A 25 -9.209 9.383 5.363 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.107 9.576 4.325 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.561 9.803 6.636 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.332 10.174 4.552 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.785 10.401 6.868 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.671 10.588 5.825 1.00 0.00 C ATOM 0 H PHE A 25 -8.216 6.740 6.600 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.736 7.264 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.305 8.730 6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.320 9.330 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.846 9.255 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.872 9.661 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.023 10.317 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.049 10.722 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.627 11.057 6.005 1.00 0.00 H new ATOM 326 N THR A 26 -6.667 6.428 2.753 1.00 0.00 N ATOM 327 CA THR A 26 -5.456 5.972 2.083 1.00 0.00 C ATOM 328 C THR A 26 -5.454 6.377 0.613 1.00 0.00 C ATOM 329 O THR A 26 -6.507 6.450 -0.022 1.00 0.00 O ATOM 330 CB THR A 26 -5.301 4.443 2.182 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.487 3.798 1.703 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.032 4.018 3.618 1.00 0.00 C ATOM 0 H THR A 26 -7.507 6.393 2.175 1.00 0.00 H new ATOM 0 HA THR A 26 -4.617 6.449 2.589 1.00 0.00 H new ATOM 0 HB THR A 26 -4.452 4.146 1.566 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.374 2.826 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.926 2.934 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.113 4.487 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.863 4.328 4.251 1.00 0.00 H new ATOM 340 N CYS A 27 -4.267 6.639 0.078 1.00 0.00 N ATOM 341 CA CYS A 27 -4.128 7.037 -1.318 1.00 0.00 C ATOM 342 C CYS A 27 -4.567 5.912 -2.250 1.00 0.00 C ATOM 343 O CYS A 27 -4.890 4.812 -1.803 1.00 0.00 O ATOM 344 CB CYS A 27 -2.679 7.426 -1.617 1.00 0.00 C ATOM 345 SG CYS A 27 -1.504 6.036 -1.536 1.00 0.00 S ATOM 0 H CYS A 27 -3.387 6.583 0.590 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.772 7.900 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.631 7.871 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.367 8.194 -0.909 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.496 6.363 -0.783 1.00 0.00 H new ATOM 350 N GLU A 28 -4.576 6.196 -3.549 1.00 0.00 N ATOM 351 CA GLU A 28 -4.976 5.209 -4.544 1.00 0.00 C ATOM 352 C GLU A 28 -3.931 4.102 -4.663 1.00 0.00 C ATOM 353 O GLU A 28 -4.257 2.957 -4.971 1.00 0.00 O ATOM 354 CB GLU A 28 -5.183 5.877 -5.904 1.00 0.00 C ATOM 355 CG GLU A 28 -5.950 7.187 -5.828 1.00 0.00 C ATOM 356 CD GLU A 28 -5.040 8.385 -5.631 1.00 0.00 C ATOM 357 OE1 GLU A 28 -3.806 8.196 -5.611 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.564 9.511 -5.497 1.00 0.00 O ATOM 0 H GLU A 28 -4.311 7.102 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.917 4.765 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.211 6.061 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.718 5.190 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.526 7.320 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.664 7.139 -5.006 1.00 0.00 H new ATOM 365 N GLY A 29 -2.673 4.455 -4.416 1.00 0.00 N ATOM 366 CA GLY A 29 -1.600 3.482 -4.501 1.00 0.00 C ATOM 367 C GLY A 29 -1.725 2.388 -3.459 1.00 0.00 C ATOM 368 O GLY A 29 -1.543 1.209 -3.761 1.00 0.00 O ATOM 0 H GLY A 29 -2.378 5.397 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.598 3.034 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.643 3.989 -4.378 1.00 0.00 H new ATOM 372 N CYS A 30 -2.034 2.779 -2.227 1.00 0.00 N ATOM 373 CA CYS A 30 -2.181 1.825 -1.135 1.00 0.00 C ATOM 374 C CYS A 30 -3.575 1.205 -1.139 1.00 0.00 C ATOM 375 O CYS A 30 -3.742 0.021 -0.845 1.00 0.00 O ATOM 376 CB CYS A 30 -1.918 2.509 0.207 1.00 0.00 C ATOM 377 SG CYS A 30 -0.268 3.269 0.345 1.00 0.00 S ATOM 0 H CYS A 30 -2.188 3.751 -1.960 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.449 1.030 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.674 3.278 0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.036 1.776 1.005 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.260 4.406 -0.286 1.00 0.00 H new ATOM 382 N LYS A 31 -4.575 2.013 -1.473 1.00 0.00 N ATOM 383 CA LYS A 31 -5.956 1.546 -1.517 1.00 0.00 C ATOM 384 C LYS A 31 -6.055 0.209 -2.244 1.00 0.00 C ATOM 385 O LYS A 31 -6.614 -0.754 -1.719 1.00 0.00 O ATOM 386 CB LYS A 31 -6.845 2.582 -2.209 1.00 0.00 C ATOM 387 CG LYS A 31 -8.231 2.063 -2.550 1.00 0.00 C ATOM 388 CD LYS A 31 -8.849 2.838 -3.702 1.00 0.00 C ATOM 389 CE LYS A 31 -8.198 2.478 -5.029 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.758 3.275 -6.155 1.00 0.00 N ATOM 0 H LYS A 31 -4.455 2.996 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.300 1.409 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.942 3.455 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.356 2.915 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.171 1.007 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.874 2.138 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.918 2.628 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.742 3.908 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.123 2.647 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.343 1.416 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.289 3.001 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.779 3.095 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.598 4.287 -5.977 1.00 0.00 H new ATOM 404 N SER A 32 -5.507 0.156 -3.454 1.00 0.00 N ATOM 405 CA SER A 32 -5.536 -1.063 -4.253 1.00 0.00 C ATOM 406 C SER A 32 -4.532 -2.083 -3.725 1.00 0.00 C ATOM 407 O SER A 32 -4.843 -3.267 -3.592 1.00 0.00 O ATOM 408 CB SER A 32 -5.234 -0.744 -5.719 1.00 0.00 C ATOM 409 OG SER A 32 -6.143 0.215 -6.230 1.00 0.00 O ATOM 0 H SER A 32 -5.038 0.943 -3.902 1.00 0.00 H new ATOM 0 HA SER A 32 -6.535 -1.492 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.215 -0.368 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.292 -1.657 -6.312 1.00 0.00 H new ATOM 0 HG SER A 32 -5.928 0.403 -7.167 1.00 0.00 H new ATOM 415 N PHE A 33 -3.324 -1.615 -3.427 1.00 0.00 N ATOM 416 CA PHE A 33 -2.272 -2.485 -2.914 1.00 0.00 C ATOM 417 C PHE A 33 -2.765 -3.282 -1.710 1.00 0.00 C ATOM 418 O PHE A 33 -2.373 -4.433 -1.510 1.00 0.00 O ATOM 419 CB PHE A 33 -1.043 -1.661 -2.526 1.00 0.00 C ATOM 420 CG PHE A 33 0.020 -2.462 -1.830 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.855 -3.303 -2.549 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.186 -2.372 -0.458 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.833 -4.041 -1.910 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.163 -3.108 0.186 1.00 0.00 C ATOM 425 CZ PHE A 33 1.989 -3.943 -0.541 1.00 0.00 C ATOM 0 H PHE A 33 -3.050 -0.638 -3.532 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.997 -3.185 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.619 -1.211 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.354 -0.843 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.740 -3.382 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.455 -1.719 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.476 -4.695 -2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.280 -3.030 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.754 -4.517 -0.041 1.00 0.00 H new ATOM 435 N PHE A 34 -3.625 -2.662 -0.909 1.00 0.00 N ATOM 436 CA PHE A 34 -4.171 -3.312 0.277 1.00 0.00 C ATOM 437 C PHE A 34 -5.127 -4.436 -0.110 1.00 0.00 C ATOM 438 O PHE A 34 -5.047 -5.545 0.419 1.00 0.00 O ATOM 439 CB PHE A 34 -4.895 -2.291 1.156 1.00 0.00 C ATOM 440 CG PHE A 34 -5.621 -2.907 2.318 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.921 -3.528 3.339 1.00 0.00 C ATOM 442 CD2 PHE A 34 -7.005 -2.867 2.387 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.586 -4.097 4.409 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.675 -3.433 3.455 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.965 -4.050 4.467 1.00 0.00 C ATOM 0 H PHE A 34 -3.959 -1.710 -1.059 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.342 -3.742 0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.170 -1.569 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.608 -1.738 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.843 -3.568 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.566 -2.388 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.028 -4.578 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.753 -3.393 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.487 -4.494 5.301 1.00 0.00 H new ATOM 455 N LYS A 35 -6.033 -4.142 -1.037 1.00 0.00 N ATOM 456 CA LYS A 35 -7.005 -5.126 -1.497 1.00 0.00 C ATOM 457 C LYS A 35 -6.326 -6.225 -2.306 1.00 0.00 C ATOM 458 O LYS A 35 -6.380 -7.400 -1.943 1.00 0.00 O ATOM 459 CB LYS A 35 -8.086 -4.448 -2.343 1.00 0.00 C ATOM 460 CG LYS A 35 -8.739 -5.377 -3.353 1.00 0.00 C ATOM 461 CD LYS A 35 -9.594 -4.607 -4.345 1.00 0.00 C ATOM 462 CE LYS A 35 -10.290 -5.542 -5.323 1.00 0.00 C ATOM 463 NZ LYS A 35 -10.709 -4.834 -6.564 1.00 0.00 N ATOM 0 H LYS A 35 -6.114 -3.229 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.469 -5.579 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.854 -4.046 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.645 -3.603 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.969 -5.933 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.355 -6.109 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.339 -4.021 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.970 -3.902 -4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.620 -6.362 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.164 -5.984 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.179 -5.505 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.368 -4.068 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.872 -4.434 -7.035 1.00 0.00 H new ATOM 477 N ARG A 36 -5.685 -5.836 -3.404 1.00 0.00 N ATOM 478 CA ARG A 36 -4.995 -6.789 -4.264 1.00 0.00 C ATOM 479 C ARG A 36 -4.254 -7.833 -3.434 1.00 0.00 C ATOM 480 O ARG A 36 -4.031 -8.956 -3.886 1.00 0.00 O ATOM 481 CB ARG A 36 -4.011 -6.060 -5.182 1.00 0.00 C ATOM 482 CG ARG A 36 -2.636 -5.861 -4.566 1.00 0.00 C ATOM 483 CD ARG A 36 -1.706 -7.019 -4.891 1.00 0.00 C ATOM 484 NE ARG A 36 -1.288 -7.008 -6.290 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.312 -7.771 -6.771 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.341 -8.601 -5.970 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.011 -7.705 -8.056 1.00 0.00 N ATOM 0 H ARG A 36 -5.630 -4.867 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.742 -7.298 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.906 -6.624 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.426 -5.087 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.203 -4.931 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.732 -5.762 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.826 -6.969 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.208 -7.961 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.771 -6.381 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.095 -8.655 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.090 -9.185 -6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.490 -7.068 -8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.760 -8.291 -8.424 1.00 0.00 H new ATOM 501 N SER A 37 -3.874 -7.454 -2.218 1.00 0.00 N ATOM 502 CA SER A 37 -3.155 -8.356 -1.326 1.00 0.00 C ATOM 503 C SER A 37 -4.112 -9.033 -0.349 1.00 0.00 C ATOM 504 O SER A 37 -3.883 -10.164 0.080 1.00 0.00 O ATOM 505 CB SER A 37 -2.077 -7.592 -0.555 1.00 0.00 C ATOM 506 OG SER A 37 -2.627 -6.469 0.113 1.00 0.00 O ATOM 0 H SER A 37 -4.052 -6.528 -1.828 1.00 0.00 H new ATOM 0 HA SER A 37 -2.680 -9.126 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.605 -8.255 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.297 -7.264 -1.242 1.00 0.00 H new ATOM 0 HG SER A 37 -2.319 -5.647 -0.322 1.00 0.00 H new ATOM 512 N VAL A 38 -5.187 -8.331 -0.002 1.00 0.00 N ATOM 513 CA VAL A 38 -6.180 -8.863 0.923 1.00 0.00 C ATOM 514 C VAL A 38 -7.186 -9.750 0.198 1.00 0.00 C ATOM 515 O VAL A 38 -7.324 -10.933 0.510 1.00 0.00 O ATOM 516 CB VAL A 38 -6.936 -7.732 1.645 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.265 -8.238 2.186 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.083 -7.151 2.763 1.00 0.00 C ATOM 0 H VAL A 38 -5.392 -7.393 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.640 -9.458 1.660 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.142 -6.939 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.785 -7.425 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.878 -8.603 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.085 -9.049 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.632 -6.353 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.845 -7.934 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.160 -6.749 2.345 1.00 0.00 H new ATOM 528 N ARG A 39 -7.888 -9.170 -0.770 1.00 0.00 N ATOM 529 CA ARG A 39 -8.883 -9.908 -1.539 1.00 0.00 C ATOM 530 C ARG A 39 -8.266 -11.149 -2.178 1.00 0.00 C ATOM 531 O ARG A 39 -8.971 -12.096 -2.526 1.00 0.00 O ATOM 532 CB ARG A 39 -9.489 -9.012 -2.621 1.00 0.00 C ATOM 533 CG ARG A 39 -8.517 -8.659 -3.735 1.00 0.00 C ATOM 534 CD ARG A 39 -8.591 -9.659 -4.877 1.00 0.00 C ATOM 535 NE ARG A 39 -9.915 -9.691 -5.492 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.138 -10.102 -6.736 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.130 -10.512 -7.493 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.371 -10.102 -7.225 1.00 0.00 N ATOM 0 H ARG A 39 -7.786 -8.192 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.671 -10.226 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.356 -9.513 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.849 -8.092 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.739 -7.660 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.502 -8.632 -3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.847 -9.403 -5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.340 -10.653 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.712 -9.381 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.180 -10.513 -7.121 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.304 -10.827 -8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.149 -9.786 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.541 -10.418 -8.180 1.00 0.00 H new ATOM 552 N ARG A 40 -6.945 -11.135 -2.329 1.00 0.00 N ATOM 553 CA ARG A 40 -6.234 -12.258 -2.928 1.00 0.00 C ATOM 554 C ARG A 40 -5.623 -13.151 -1.851 1.00 0.00 C ATOM 555 O ARG A 40 -5.197 -14.271 -2.128 1.00 0.00 O ATOM 556 CB ARG A 40 -5.137 -11.752 -3.867 1.00 0.00 C ATOM 557 CG ARG A 40 -5.671 -11.144 -5.154 1.00 0.00 C ATOM 558 CD ARG A 40 -4.626 -11.172 -6.259 1.00 0.00 C ATOM 559 NE ARG A 40 -4.569 -12.470 -6.925 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.500 -12.917 -7.574 1.00 0.00 C ATOM 561 NH1 ARG A 40 -2.404 -12.174 -7.643 1.00 0.00 N ATOM 562 NH2 ARG A 40 -3.525 -14.109 -8.155 1.00 0.00 N ATOM 0 H ARG A 40 -6.347 -10.359 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.951 -12.846 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.538 -11.007 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.472 -12.579 -4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.557 -11.691 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.981 -10.115 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.853 -10.398 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.648 -10.937 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.396 -13.066 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.381 -11.257 -7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.584 -12.519 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.366 -14.684 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.703 -14.451 -8.653 1.00 0.00 H new ATOM 576 N ASN A 41 -5.585 -12.646 -0.622 1.00 0.00 N ATOM 577 CA ASN A 41 -5.027 -13.397 0.496 1.00 0.00 C ATOM 578 C ASN A 41 -3.537 -13.655 0.288 1.00 0.00 C ATOM 579 O ASN A 41 -3.043 -14.752 0.550 1.00 0.00 O ATOM 580 CB ASN A 41 -5.766 -14.726 0.666 1.00 0.00 C ATOM 581 CG ASN A 41 -6.948 -14.613 1.610 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.977 -14.031 1.267 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.804 -15.170 2.807 1.00 0.00 N ATOM 0 H ASN A 41 -5.934 -11.720 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.153 -12.801 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.113 -15.073 -0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.073 -15.478 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.565 -15.125 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.933 -15.642 3.048 1.00 0.00 H new ATOM 590 N LEU A 42 -2.827 -12.636 -0.184 1.00 0.00 N ATOM 591 CA LEU A 42 -1.393 -12.751 -0.427 1.00 0.00 C ATOM 592 C LEU A 42 -0.601 -12.487 0.850 1.00 0.00 C ATOM 593 O LEU A 42 -1.140 -11.978 1.834 1.00 0.00 O ATOM 594 CB LEU A 42 -0.961 -11.772 -1.520 1.00 0.00 C ATOM 595 CG LEU A 42 -1.912 -11.631 -2.709 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.345 -10.661 -3.734 1.00 0.00 C ATOM 597 CD2 LEU A 42 -2.175 -12.988 -3.345 1.00 0.00 C ATOM 0 H LEU A 42 -3.220 -11.721 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.186 -13.769 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.829 -10.789 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.014 -12.084 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.859 -11.232 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.035 -10.573 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.209 -9.683 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.384 -11.031 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.854 -12.869 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.234 -13.415 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.625 -13.654 -2.609 1.00 0.00 H new ATOM 609 N THR A 43 0.681 -12.836 0.828 1.00 0.00 N ATOM 610 CA THR A 43 1.548 -12.636 1.983 1.00 0.00 C ATOM 611 C THR A 43 2.997 -12.437 1.555 1.00 0.00 C ATOM 612 O THR A 43 3.601 -13.320 0.943 1.00 0.00 O ATOM 613 CB THR A 43 1.470 -13.827 2.956 1.00 0.00 C ATOM 614 OG1 THR A 43 0.178 -13.872 3.573 1.00 0.00 O ATOM 615 CG2 THR A 43 2.545 -13.721 4.027 1.00 0.00 C ATOM 0 H THR A 43 1.143 -13.259 0.023 1.00 0.00 H new ATOM 0 HA THR A 43 1.196 -11.738 2.491 1.00 0.00 H new ATOM 0 HB THR A 43 1.633 -14.743 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.389 -13.166 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.471 -14.573 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.528 -13.716 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.408 -12.798 4.590 1.00 0.00 H new ATOM 623 N TYR A 44 3.552 -11.275 1.880 1.00 0.00 N ATOM 624 CA TYR A 44 4.931 -10.961 1.528 1.00 0.00 C ATOM 625 C TYR A 44 5.858 -11.158 2.723 1.00 0.00 C ATOM 626 O TYR A 44 5.431 -11.074 3.876 1.00 0.00 O ATOM 627 CB TYR A 44 5.035 -9.521 1.021 1.00 0.00 C ATOM 628 CG TYR A 44 3.858 -9.091 0.174 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.635 -9.653 -1.077 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.969 -8.123 0.625 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.562 -9.263 -1.854 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.893 -7.728 -0.145 1.00 0.00 C ATOM 633 CZ TYR A 44 1.693 -8.300 -1.384 1.00 0.00 C ATOM 634 OH TYR A 44 0.622 -7.908 -2.154 1.00 0.00 O ATOM 0 H TYR A 44 3.067 -10.534 2.387 1.00 0.00 H new ATOM 0 HA TYR A 44 5.240 -11.642 0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.122 -8.849 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.950 -9.415 0.438 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.312 -10.408 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.122 -7.672 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.404 -9.710 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.211 -6.975 0.221 1.00 0.00 H new ATOM 0 HH TYR A 44 0.626 -8.407 -2.998 1.00 0.00 H new ATOM 644 N THR A 45 7.130 -11.421 2.441 1.00 0.00 N ATOM 645 CA THR A 45 8.118 -11.632 3.491 1.00 0.00 C ATOM 646 C THR A 45 9.049 -10.431 3.618 1.00 0.00 C ATOM 647 O THR A 45 9.756 -10.078 2.674 1.00 0.00 O ATOM 648 CB THR A 45 8.960 -12.894 3.225 1.00 0.00 C ATOM 649 OG1 THR A 45 9.559 -13.349 4.444 1.00 0.00 O ATOM 650 CG2 THR A 45 10.044 -12.615 2.195 1.00 0.00 C ATOM 0 H THR A 45 7.500 -11.493 1.493 1.00 0.00 H new ATOM 0 HA THR A 45 7.567 -11.762 4.422 1.00 0.00 H new ATOM 0 HB THR A 45 8.300 -13.668 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.091 -14.153 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.625 -13.521 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.584 -12.297 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.701 -11.827 2.562 1.00 0.00 H new ATOM 658 N CYS A 46 9.045 -9.808 4.792 1.00 0.00 N ATOM 659 CA CYS A 46 9.890 -8.646 5.043 1.00 0.00 C ATOM 660 C CYS A 46 11.361 -9.047 5.109 1.00 0.00 C ATOM 661 O CYS A 46 11.775 -9.782 6.006 1.00 0.00 O ATOM 662 CB CYS A 46 9.478 -7.963 6.349 1.00 0.00 C ATOM 663 SG CYS A 46 10.601 -6.630 6.877 1.00 0.00 S ATOM 0 H CYS A 46 8.466 -10.088 5.584 1.00 0.00 H new ATOM 0 HA CYS A 46 9.759 -7.947 4.217 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.475 -7.553 6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.425 -8.713 7.138 1.00 0.00 H new ATOM 0 HG CYS A 46 9.942 -5.512 6.952 1.00 0.00 H new ATOM 668 N ARG A 47 12.145 -8.559 4.153 1.00 0.00 N ATOM 669 CA ARG A 47 13.569 -8.867 4.101 1.00 0.00 C ATOM 670 C ARG A 47 14.355 -7.966 5.050 1.00 0.00 C ATOM 671 O ARG A 47 15.545 -7.727 4.851 1.00 0.00 O ATOM 672 CB ARG A 47 14.096 -8.706 2.674 1.00 0.00 C ATOM 673 CG ARG A 47 13.256 -9.424 1.630 1.00 0.00 C ATOM 674 CD ARG A 47 14.104 -9.886 0.455 1.00 0.00 C ATOM 675 NE ARG A 47 14.399 -8.794 -0.469 1.00 0.00 N ATOM 676 CZ ARG A 47 13.577 -8.409 -1.438 1.00 0.00 C ATOM 677 NH1 ARG A 47 12.415 -9.023 -1.610 1.00 0.00 N ATOM 678 NH2 ARG A 47 13.917 -7.407 -2.239 1.00 0.00 N ATOM 0 H ARG A 47 11.818 -7.949 3.404 1.00 0.00 H new ATOM 0 HA ARG A 47 13.703 -9.902 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.137 -7.645 2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.118 -9.083 2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.764 -10.283 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.470 -8.759 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.037 -10.309 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.583 -10.681 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 47 15.285 -8.300 -0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.150 -9.794 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.786 -8.725 -2.355 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.810 -6.932 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.285 -7.112 -2.983 1.00 0.00 H new ATOM 692 N ALA A 48 13.679 -7.469 6.081 1.00 0.00 N ATOM 693 CA ALA A 48 14.314 -6.596 7.061 1.00 0.00 C ATOM 694 C ALA A 48 13.717 -6.803 8.448 1.00 0.00 C ATOM 695 O ALA A 48 12.882 -7.684 8.650 1.00 0.00 O ATOM 696 CB ALA A 48 14.179 -5.141 6.637 1.00 0.00 C ATOM 0 H ALA A 48 12.692 -7.656 6.259 1.00 0.00 H new ATOM 0 HA ALA A 48 15.372 -6.852 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.657 -4.500 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.659 -4.998 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.123 -4.881 6.560 1.00 0.00 H new ATOM 702 N ASN A 49 14.150 -5.984 9.402 1.00 0.00 N ATOM 703 CA ASN A 49 13.658 -6.079 10.771 1.00 0.00 C ATOM 704 C ASN A 49 12.273 -5.453 10.896 1.00 0.00 C ATOM 705 O ASN A 49 11.982 -4.751 11.865 1.00 0.00 O ATOM 706 CB ASN A 49 14.630 -5.390 11.732 1.00 0.00 C ATOM 707 CG ASN A 49 15.836 -6.252 12.052 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.048 -6.641 13.200 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.633 -6.554 11.034 1.00 0.00 N ATOM 0 H ASN A 49 14.840 -5.248 9.252 1.00 0.00 H new ATOM 0 HA ASN A 49 13.585 -7.135 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.965 -4.450 11.293 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.108 -5.142 12.656 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.460 -7.131 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.418 -6.209 10.098 1.00 0.00 H new ATOM 716 N ARG A 50 11.421 -5.712 9.910 1.00 0.00 N ATOM 717 CA ARG A 50 10.066 -5.175 9.908 1.00 0.00 C ATOM 718 C ARG A 50 10.060 -3.716 10.357 1.00 0.00 C ATOM 719 O ARG A 50 9.157 -3.280 11.070 1.00 0.00 O ATOM 720 CB ARG A 50 9.164 -6.005 10.824 1.00 0.00 C ATOM 721 CG ARG A 50 9.087 -7.472 10.435 1.00 0.00 C ATOM 722 CD ARG A 50 8.608 -8.331 11.595 1.00 0.00 C ATOM 723 NE ARG A 50 8.770 -9.757 11.323 1.00 0.00 N ATOM 724 CZ ARG A 50 8.786 -10.689 12.270 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.649 -10.346 13.544 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.937 -11.966 11.944 1.00 0.00 N ATOM 0 H ARG A 50 11.646 -6.291 9.101 1.00 0.00 H new ATOM 0 HA ARG A 50 9.683 -5.226 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.530 -5.928 11.848 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.160 -5.581 10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.410 -7.590 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.069 -7.815 10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.164 -8.068 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.558 -8.117 11.795 1.00 0.00 H new ATOM 0 HE ARG A 50 8.877 -10.054 10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.531 -9.365 13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.662 -11.063 14.269 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.041 -12.234 10.965 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.949 -12.680 12.672 1.00 0.00 H new ATOM 740 N ASN A 51 11.073 -2.968 9.933 1.00 0.00 N ATOM 741 CA ASN A 51 11.185 -1.559 10.292 1.00 0.00 C ATOM 742 C ASN A 51 11.395 -0.696 9.051 1.00 0.00 C ATOM 743 O ASN A 51 11.756 0.477 9.151 1.00 0.00 O ATOM 744 CB ASN A 51 12.341 -1.351 11.273 1.00 0.00 C ATOM 745 CG ASN A 51 13.696 -1.451 10.600 1.00 0.00 C ATOM 746 OD1 ASN A 51 13.902 -0.912 9.512 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.627 -2.145 11.244 1.00 0.00 N ATOM 0 H ASN A 51 11.828 -3.314 9.341 1.00 0.00 H new ATOM 0 HA ASN A 51 10.253 -1.257 10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.243 -0.372 11.743 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.277 -2.094 12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.557 -2.248 10.839 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.412 -2.575 12.144 1.00 0.00 H new ATOM 754 N CYS A 52 11.165 -1.285 7.883 1.00 0.00 N ATOM 755 CA CYS A 52 11.329 -0.572 6.621 1.00 0.00 C ATOM 756 C CYS A 52 10.431 0.660 6.573 1.00 0.00 C ATOM 757 O CYS A 52 9.245 0.608 6.900 1.00 0.00 O ATOM 758 CB CYS A 52 11.009 -1.496 5.444 1.00 0.00 C ATOM 759 SG CYS A 52 11.658 -3.188 5.630 1.00 0.00 S ATOM 0 H CYS A 52 10.864 -2.255 7.783 1.00 0.00 H new ATOM 0 HA CYS A 52 12.367 -0.247 6.547 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.927 -1.545 5.318 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.417 -1.060 4.532 1.00 0.00 H new ATOM 0 HG CYS A 52 10.775 -4.041 5.203 1.00 0.00 H new ATOM 764 N PRO A 53 11.008 1.797 6.155 1.00 0.00 N ATOM 765 CA PRO A 53 10.278 3.064 6.053 1.00 0.00 C ATOM 766 C PRO A 53 9.253 3.054 4.924 1.00 0.00 C ATOM 767 O PRO A 53 9.608 3.179 3.751 1.00 0.00 O ATOM 768 CB PRO A 53 11.381 4.086 5.766 1.00 0.00 C ATOM 769 CG PRO A 53 12.470 3.298 5.124 1.00 0.00 C ATOM 770 CD PRO A 53 12.417 1.932 5.750 1.00 0.00 C ATOM 0 HA PRO A 53 9.704 3.278 6.955 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.025 4.878 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.726 4.564 6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.325 3.239 4.045 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.440 3.766 5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.708 1.155 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.090 1.855 6.604 1.00 0.00 H new ATOM 778 N ILE A 54 7.983 2.904 5.284 1.00 0.00 N ATOM 779 CA ILE A 54 6.908 2.879 4.301 1.00 0.00 C ATOM 780 C ILE A 54 6.331 4.274 4.082 1.00 0.00 C ATOM 781 O ILE A 54 5.296 4.624 4.649 1.00 0.00 O ATOM 782 CB ILE A 54 5.775 1.928 4.729 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.342 0.553 5.087 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.738 1.808 3.622 1.00 0.00 C ATOM 785 CD1 ILE A 54 7.008 -0.148 3.923 1.00 0.00 C ATOM 0 H ILE A 54 7.673 2.798 6.250 1.00 0.00 H new ATOM 0 HA ILE A 54 7.341 2.517 3.369 1.00 0.00 H new ATOM 0 HB ILE A 54 5.288 2.341 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.065 0.666 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.536 -0.076 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.944 1.133 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.316 2.791 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.211 1.415 2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.387 -1.117 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.283 -0.293 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.835 0.460 3.557 1.00 0.00 H new ATOM 797 N ASP A 55 7.006 5.065 3.255 1.00 0.00 N ATOM 798 CA ASP A 55 6.559 6.420 2.959 1.00 0.00 C ATOM 799 C ASP A 55 6.137 6.546 1.498 1.00 0.00 C ATOM 800 O ASP A 55 6.191 5.577 0.742 1.00 0.00 O ATOM 801 CB ASP A 55 7.669 7.426 3.270 1.00 0.00 C ATOM 802 CG ASP A 55 7.879 7.614 4.760 1.00 0.00 C ATOM 803 OD1 ASP A 55 7.052 8.304 5.392 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.870 7.073 5.293 1.00 0.00 O ATOM 0 H ASP A 55 7.865 4.791 2.778 1.00 0.00 H new ATOM 0 HA ASP A 55 5.696 6.637 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.600 7.088 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.423 8.386 2.817 1.00 0.00 H new ATOM 809 N GLN A 56 5.716 7.746 1.110 1.00 0.00 N ATOM 810 CA GLN A 56 5.283 7.997 -0.259 1.00 0.00 C ATOM 811 C GLN A 56 6.449 8.470 -1.121 1.00 0.00 C ATOM 812 O GLN A 56 6.612 8.028 -2.259 1.00 0.00 O ATOM 813 CB GLN A 56 4.163 9.039 -0.279 1.00 0.00 C ATOM 814 CG GLN A 56 4.017 9.750 -1.615 1.00 0.00 C ATOM 815 CD GLN A 56 3.878 8.786 -2.777 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.416 9.018 -3.860 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.152 7.695 -2.558 1.00 0.00 N ATOM 0 H GLN A 56 5.666 8.559 1.724 1.00 0.00 H new ATOM 0 HA GLN A 56 4.906 7.061 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.220 8.551 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.353 9.779 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.144 10.402 -1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.885 10.388 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.724 7.542 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.023 7.010 -3.303 1.00 0.00 H new ATOM 915 N CYS A 62 9.436 -1.985 1.180 1.00 0.00 N ATOM 916 CA CYS A 62 9.083 -3.308 1.679 1.00 0.00 C ATOM 917 C CYS A 62 7.621 -3.629 1.383 1.00 0.00 C ATOM 918 O CYS A 62 6.766 -2.745 1.403 1.00 0.00 O ATOM 919 CB CYS A 62 9.341 -3.395 3.184 1.00 0.00 C ATOM 920 SG CYS A 62 9.012 -5.036 3.902 1.00 0.00 S ATOM 0 HA CYS A 62 9.708 -4.040 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.379 -3.126 3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.720 -2.657 3.691 1.00 0.00 H new ATOM 0 HG CYS A 62 8.759 -4.912 5.171 1.00 0.00 H new ATOM 925 N GLN A 63 7.343 -4.900 1.109 1.00 0.00 N ATOM 926 CA GLN A 63 5.985 -5.337 0.808 1.00 0.00 C ATOM 927 C GLN A 63 5.222 -5.662 2.088 1.00 0.00 C ATOM 928 O GLN A 63 4.133 -5.139 2.323 1.00 0.00 O ATOM 929 CB GLN A 63 6.012 -6.561 -0.109 1.00 0.00 C ATOM 930 CG GLN A 63 6.384 -6.236 -1.546 1.00 0.00 C ATOM 931 CD GLN A 63 7.050 -7.400 -2.254 1.00 0.00 C ATOM 932 OE1 GLN A 63 8.225 -7.330 -2.617 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.302 -8.479 -2.452 1.00 0.00 N ATOM 0 H GLN A 63 8.040 -5.644 1.089 1.00 0.00 H new ATOM 0 HA GLN A 63 5.472 -4.522 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.724 -7.286 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.031 -7.037 -0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.486 -5.948 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.054 -5.377 -1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.333 -8.493 -2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.697 -9.294 -2.922 1.00 0.00 H new ATOM 942 N TYR A 64 5.801 -6.528 2.912 1.00 0.00 N ATOM 943 CA TYR A 64 5.174 -6.925 4.167 1.00 0.00 C ATOM 944 C TYR A 64 4.878 -5.708 5.038 1.00 0.00 C ATOM 945 O TYR A 64 3.728 -5.448 5.393 1.00 0.00 O ATOM 946 CB TYR A 64 6.076 -7.901 4.926 1.00 0.00 C ATOM 947 CG TYR A 64 5.787 -7.965 6.408 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.379 -7.071 7.291 1.00 0.00 C ATOM 949 CD2 TYR A 64 4.921 -8.920 6.926 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.118 -7.126 8.646 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.653 -8.982 8.280 1.00 0.00 C ATOM 952 CZ TYR A 64 5.254 -8.084 9.136 1.00 0.00 C ATOM 953 OH TYR A 64 4.991 -8.141 10.485 1.00 0.00 O ATOM 0 H TYR A 64 6.703 -6.969 2.734 1.00 0.00 H new ATOM 0 HA TYR A 64 4.231 -7.419 3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.960 -8.897 4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.116 -7.610 4.779 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.055 -6.320 6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.449 -9.626 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.587 -6.423 9.318 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.976 -9.730 8.666 1.00 0.00 H new ATOM 0 HH TYR A 64 5.065 -7.243 10.871 1.00 0.00 H new ATOM 963 N CYS A 65 5.925 -4.963 5.378 1.00 0.00 N ATOM 964 CA CYS A 65 5.780 -3.772 6.206 1.00 0.00 C ATOM 965 C CYS A 65 4.639 -2.894 5.701 1.00 0.00 C ATOM 966 O CYS A 65 3.773 -2.481 6.471 1.00 0.00 O ATOM 967 CB CYS A 65 7.085 -2.974 6.220 1.00 0.00 C ATOM 968 SG CYS A 65 8.375 -3.676 7.298 1.00 0.00 S ATOM 0 H CYS A 65 6.883 -5.164 5.092 1.00 0.00 H new ATOM 0 HA CYS A 65 5.546 -4.092 7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.471 -2.912 5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.872 -1.955 6.543 1.00 0.00 H new ATOM 0 HG CYS A 65 9.539 -3.522 6.739 1.00 0.00 H new ATOM 973 N ARG A 66 4.646 -2.613 4.402 1.00 0.00 N ATOM 974 CA ARG A 66 3.613 -1.783 3.794 1.00 0.00 C ATOM 975 C ARG A 66 2.240 -2.433 3.938 1.00 0.00 C ATOM 976 O ARG A 66 1.358 -1.901 4.614 1.00 0.00 O ATOM 977 CB ARG A 66 3.924 -1.546 2.315 1.00 0.00 C ATOM 978 CG ARG A 66 2.927 -0.633 1.622 1.00 0.00 C ATOM 979 CD ARG A 66 3.425 -0.203 0.251 1.00 0.00 C ATOM 980 NE ARG A 66 2.349 0.333 -0.579 1.00 0.00 N ATOM 981 CZ ARG A 66 2.555 1.005 -1.706 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.791 1.222 -2.136 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.524 1.461 -2.406 1.00 0.00 N ATOM 0 H ARG A 66 5.356 -2.948 3.750 1.00 0.00 H new ATOM 0 HA ARG A 66 3.599 -0.825 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.921 -1.115 2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.945 -2.506 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.972 -1.148 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.749 0.248 2.239 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.203 0.552 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.881 -1.055 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 66 1.387 0.183 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.586 0.872 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.946 1.738 -3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.572 1.296 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.683 1.977 -3.271 1.00 0.00 H new ATOM 997 N LEU A 67 2.066 -3.584 3.299 1.00 0.00 N ATOM 998 CA LEU A 67 0.799 -4.306 3.355 1.00 0.00 C ATOM 999 C LEU A 67 0.279 -4.382 4.786 1.00 0.00 C ATOM 1000 O LEU A 67 -0.920 -4.244 5.031 1.00 0.00 O ATOM 1001 CB LEU A 67 0.969 -5.716 2.786 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.051 -6.755 3.254 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.286 -7.241 4.655 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.459 -6.177 3.212 1.00 0.00 C ATOM 0 H LEU A 67 2.786 -4.038 2.736 1.00 0.00 H new ATOM 0 HA LEU A 67 0.071 -3.762 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.924 -5.655 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.966 -6.073 3.044 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.009 -7.608 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.451 -7.980 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.277 -7.694 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.273 -6.398 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.172 -6.930 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.515 -5.307 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.700 -5.880 2.191 1.00 0.00 H new ATOM 1016 N LYS A 68 1.188 -4.600 5.730 1.00 0.00 N ATOM 1017 CA LYS A 68 0.823 -4.690 7.139 1.00 0.00 C ATOM 1018 C LYS A 68 0.390 -3.330 7.677 1.00 0.00 C ATOM 1019 O LYS A 68 -0.669 -3.203 8.293 1.00 0.00 O ATOM 1020 CB LYS A 68 1.999 -5.224 7.959 1.00 0.00 C ATOM 1021 CG LYS A 68 2.236 -6.714 7.785 1.00 0.00 C ATOM 1022 CD LYS A 68 1.067 -7.530 8.311 1.00 0.00 C ATOM 1023 CE LYS A 68 1.433 -8.999 8.459 1.00 0.00 C ATOM 1024 NZ LYS A 68 1.985 -9.299 9.809 1.00 0.00 N ATOM 0 H LYS A 68 2.184 -4.718 5.545 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.016 -5.380 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.903 -4.685 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.821 -5.014 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.391 -6.938 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.147 -7.002 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.751 -7.134 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.219 -7.432 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.550 -9.613 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.166 -9.269 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.891 -10.316 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.990 -9.032 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.460 -8.759 10.526 1.00 0.00 H new ATOM 1038 N LYS A 69 1.214 -2.316 7.440 1.00 0.00 N ATOM 1039 CA LYS A 69 0.916 -0.964 7.898 1.00 0.00 C ATOM 1040 C LYS A 69 -0.573 -0.661 7.767 1.00 0.00 C ATOM 1041 O LYS A 69 -1.123 0.137 8.526 1.00 0.00 O ATOM 1042 CB LYS A 69 1.728 0.058 7.099 1.00 0.00 C ATOM 1043 CG LYS A 69 1.354 1.500 7.399 1.00 0.00 C ATOM 1044 CD LYS A 69 2.557 2.422 7.289 1.00 0.00 C ATOM 1045 CE LYS A 69 3.351 2.458 8.586 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.746 2.932 8.368 1.00 0.00 N ATOM 0 H LYS A 69 2.095 -2.404 6.933 1.00 0.00 H new ATOM 0 HA LYS A 69 1.191 -0.895 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.787 -0.086 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.588 -0.131 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.579 1.828 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.934 1.567 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.201 2.087 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.224 3.429 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.852 3.114 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.371 1.462 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.223 3.040 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.262 2.239 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.728 3.849 7.877 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.220 -1.303 6.800 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.646 -1.103 6.570 1.00 0.00 C ATOM 1062 C CYS A 70 -3.465 -1.627 7.745 1.00 0.00 C ATOM 1063 O CYS A 70 -4.311 -0.918 8.292 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.079 -1.800 5.280 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.131 -1.306 3.821 1.00 0.00 S ATOM 0 H CYS A 70 -0.779 -1.966 6.163 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.826 -0.032 6.474 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.986 -2.878 5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.134 -1.591 5.103 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.864 -1.494 4.043 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.211 -2.873 8.128 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.926 -3.494 9.237 1.00 0.00 C ATOM 1073 C LEU A 71 -3.573 -2.819 10.558 1.00 0.00 C ATOM 1074 O LEU A 71 -4.261 -2.999 11.564 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.596 -4.986 9.310 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.658 -5.753 7.989 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.990 -7.112 8.128 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.101 -5.911 7.531 1.00 0.00 C ATOM 0 H LEU A 71 -2.515 -3.474 7.687 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.995 -3.372 9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.594 -5.096 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.284 -5.456 10.012 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.118 -5.181 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.044 -7.643 7.178 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.946 -6.977 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.501 -7.692 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.126 -6.459 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.664 -6.460 8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.548 -4.927 7.390 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.498 -2.038 10.549 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.055 -1.331 11.745 1.00 0.00 C ATOM 1092 C LYS A 72 -2.739 0.027 11.860 1.00 0.00 C ATOM 1093 O LYS A 72 -3.343 0.345 12.884 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.536 -1.148 11.721 1.00 0.00 C ATOM 1095 CG LYS A 72 0.021 -0.518 12.986 1.00 0.00 C ATOM 1096 CD LYS A 72 0.055 0.998 12.884 1.00 0.00 C ATOM 1097 CE LYS A 72 1.129 1.593 13.782 1.00 0.00 C ATOM 1098 NZ LYS A 72 2.497 1.202 13.344 1.00 0.00 N ATOM 0 H LYS A 72 -1.917 -1.879 9.726 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.329 -1.931 12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.064 -2.119 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.267 -0.527 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.589 -0.813 13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.028 -0.894 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.241 1.290 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.918 1.404 13.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.044 2.680 13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.968 1.263 14.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.182 1.914 13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.740 0.276 13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.525 1.142 12.306 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.642 0.825 10.801 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.254 2.148 10.782 1.00 0.00 C ATOM 1114 C VAL A 73 -4.740 2.071 11.115 1.00 0.00 C ATOM 1115 O VAL A 73 -5.274 2.927 11.819 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.081 2.827 9.410 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.610 3.087 9.124 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.703 1.976 8.313 1.00 0.00 C ATOM 0 H VAL A 73 -2.145 0.578 9.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.745 2.743 11.540 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.597 3.787 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.508 3.567 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.199 3.739 9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.067 2.142 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.572 2.470 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.217 1.001 8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.767 1.846 8.512 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.403 1.038 10.604 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.821 0.868 10.858 1.00 0.00 C ATOM 1130 C GLY A 74 -7.507 0.041 9.789 1.00 0.00 C ATOM 1131 O GLY A 74 -8.429 -0.720 10.079 1.00 0.00 O ATOM 0 H GLY A 74 -4.983 0.316 10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.958 0.389 11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.296 1.847 10.916 1.00 0.00 H new ATOM 1135 N MET A 75 -7.057 0.192 8.547 1.00 0.00 N ATOM 1136 CA MET A 75 -7.635 -0.547 7.430 1.00 0.00 C ATOM 1137 C MET A 75 -8.092 -1.933 7.874 1.00 0.00 C ATOM 1138 O MET A 75 -7.378 -2.630 8.596 1.00 0.00 O ATOM 1139 CB MET A 75 -6.619 -0.671 6.293 1.00 0.00 C ATOM 1140 CG MET A 75 -6.165 0.668 5.735 1.00 0.00 C ATOM 1141 SD MET A 75 -7.207 1.244 4.380 1.00 0.00 S ATOM 1142 CE MET A 75 -6.671 0.161 3.057 1.00 0.00 C ATOM 0 H MET A 75 -6.295 0.819 8.289 1.00 0.00 H new ATOM 0 HA MET A 75 -8.504 0.005 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.748 -1.219 6.653 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.057 -1.261 5.488 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.170 1.410 6.533 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.136 0.582 5.386 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.658 0.713 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.669 -0.210 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.359 -0.680 2.974 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.283 -2.326 7.437 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.835 -3.629 7.791 1.00 0.00 C ATOM 1154 C ARG A 76 -9.974 -4.514 6.556 1.00 0.00 C ATOM 1155 O ARG A 76 -10.458 -4.071 5.514 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.197 -3.463 8.469 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.274 -2.918 7.545 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.268 -2.050 8.300 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.590 -2.065 7.680 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.479 -1.088 7.820 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.188 -0.022 8.553 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.661 -1.175 7.224 1.00 0.00 N ATOM 0 H ARG A 76 -9.885 -1.762 6.837 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.147 -4.110 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.519 -4.428 8.859 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.090 -2.794 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.811 -2.335 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.800 -3.746 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.346 -2.400 9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.898 -1.026 8.339 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.845 -2.870 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.279 0.049 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.873 0.727 8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.888 -1.993 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.343 -0.424 7.332 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.546 -5.766 6.680 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.621 -6.712 5.573 1.00 0.00 C ATOM 1178 C ARG A 77 -11.072 -7.060 5.253 1.00 0.00 C ATOM 1179 O ARG A 77 -11.463 -7.119 4.088 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.842 -7.985 5.910 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.347 -7.761 6.067 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.588 -9.078 6.116 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.716 -9.830 4.870 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.546 -11.145 4.784 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.245 -11.849 5.866 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.679 -11.757 3.615 1.00 0.00 N ATOM 0 H ARG A 77 -9.144 -6.149 7.536 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.176 -6.243 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.236 -8.408 6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.010 -8.722 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.979 -7.159 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.157 -7.196 6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.534 -8.882 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.962 -9.681 6.944 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.949 -9.317 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.143 -11.381 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.115 -12.858 5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.912 -11.218 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.548 -12.767 3.550 1.00 0.00 H new ATOM 1200 N GLU A 78 -11.864 -7.290 6.296 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.271 -7.634 6.125 1.00 0.00 C ATOM 1202 C GLU A 78 -13.917 -6.761 5.053 1.00 0.00 C ATOM 1203 O GLU A 78 -14.649 -7.253 4.195 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.022 -7.476 7.448 1.00 0.00 C ATOM 1205 CG GLU A 78 -13.947 -6.073 8.027 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.105 -6.055 9.535 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.250 -6.191 10.014 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.082 -5.904 10.236 1.00 0.00 O ATOM 0 H GLU A 78 -11.556 -7.244 7.267 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.328 -8.675 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.068 -7.742 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.616 -8.181 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.990 -5.625 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.725 -5.456 7.577 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.641 -5.462 5.110 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.194 -4.520 4.145 1.00 0.00 C ATOM 1217 C ALA A 79 -13.858 -4.937 2.717 1.00 0.00 C ATOM 1218 O ALA A 79 -14.725 -4.949 1.842 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.678 -3.116 4.422 1.00 0.00 C ATOM 0 H ALA A 79 -13.037 -5.038 5.815 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.279 -4.524 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.099 -2.423 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.974 -2.811 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.591 -3.106 4.345 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.594 -5.279 2.487 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.144 -5.697 1.164 1.00 0.00 C ATOM 1227 C VAL A 80 -13.047 -6.784 0.594 1.00 0.00 C ATOM 1228 O VAL A 80 -13.483 -6.703 -0.554 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.695 -6.218 1.204 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.230 -6.609 -0.190 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.770 -5.173 1.809 1.00 0.00 C ATOM 0 H VAL A 80 -11.864 -5.275 3.199 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.189 -4.818 0.522 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.664 -7.107 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.204 -6.975 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.877 -7.393 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.275 -5.740 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.750 -5.558 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.803 -4.265 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.093 -4.946 2.825 1.00 0.00 H new