USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 88 ZNZN :(H bumps) USER MOD Set 1.1: A 68 ASN : amide:sc= -0.257 K(o=-1.6,f=-2.5) USER MOD Set 1.2: A 69 ASN : amide:sc= -1.36 X(o=-1.6,f=-1.8) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 HIS :FLIP no HE2:sc= -1.72 F(o=-2.2,f=-0.8) USER MOD Set 2.3: A 55 SER OG : rot 161:sc= 0.915 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= -0.0112 (180deg=-0.155) USER MOD Single : A 3 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00248 USER MOD Single : A 6 SER OG : rot 129:sc= -5.14! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.142 (180deg=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.295 (180deg=-1.27!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00131 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 131:sc=-0.00575 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.66 K(o=0.66,f=-0.071) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.127 (180deg=-0.525) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -107:sc= -1.25 (180deg=-3.32!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -0.885 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 62 CYS SG : rot -48:sc= -1.45 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0119) USER MOD Single : A 67 CYS SG : rot 53:sc= -0.21 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.829 11.970 8.892 1.00 0.00 N ATOM 2 CA MET A 1 -8.724 12.280 10.037 1.00 0.00 C ATOM 3 C MET A 1 -8.814 11.102 11.001 1.00 0.00 C ATOM 4 O MET A 1 -8.696 11.269 12.215 1.00 0.00 O ATOM 5 CB MET A 1 -10.113 12.623 9.495 1.00 0.00 C ATOM 6 CG MET A 1 -11.014 13.300 10.515 1.00 0.00 C ATOM 7 SD MET A 1 -11.991 14.638 9.802 1.00 0.00 S ATOM 8 CE MET A 1 -11.053 16.064 10.344 1.00 0.00 C ATOM 0 H1 MET A 1 -7.382 12.846 8.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.093 11.302 9.198 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.385 11.545 8.122 1.00 0.00 H new ATOM 0 HA MET A 1 -8.316 13.127 10.588 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.005 13.275 8.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.594 11.709 9.148 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.684 12.559 10.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.404 13.694 11.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.532 16.974 9.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.016 16.083 11.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.039 16.005 9.948 1.00 0.00 H new ATOM 20 N VAL A 2 -9.022 9.910 10.452 1.00 0.00 N ATOM 21 CA VAL A 2 -9.127 8.702 11.264 1.00 0.00 C ATOM 22 C VAL A 2 -7.991 7.726 10.955 1.00 0.00 C ATOM 23 O VAL A 2 -8.074 6.542 11.276 1.00 0.00 O ATOM 24 CB VAL A 2 -10.487 7.996 11.060 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.662 6.872 12.068 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.627 8.998 11.172 1.00 0.00 C ATOM 0 H VAL A 2 -9.121 9.754 9.449 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.051 9.014 12.305 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.505 7.564 10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.625 6.387 11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.863 6.142 11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.624 7.280 13.078 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.578 8.485 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.611 9.458 12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.510 9.769 10.410 1.00 0.00 H new ATOM 36 N GLN A 3 -6.928 8.234 10.327 1.00 0.00 N ATOM 37 CA GLN A 3 -5.776 7.414 9.970 1.00 0.00 C ATOM 38 C GLN A 3 -4.800 8.233 9.148 1.00 0.00 C ATOM 39 O GLN A 3 -5.199 8.988 8.265 1.00 0.00 O ATOM 40 CB GLN A 3 -6.219 6.183 9.166 1.00 0.00 C ATOM 41 CG GLN A 3 -5.089 5.422 8.472 1.00 0.00 C ATOM 42 CD GLN A 3 -4.689 4.164 9.220 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.519 3.516 9.857 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.410 3.815 9.145 1.00 0.00 N ATOM 0 H GLN A 3 -6.845 9.214 10.056 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.291 7.078 10.886 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.739 5.499 9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.939 6.500 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.401 5.156 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.221 6.075 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.757 4.383 8.605 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.080 2.979 9.628 1.00 0.00 H new ATOM 53 N SER A 4 -3.524 8.072 9.434 1.00 0.00 N ATOM 54 CA SER A 4 -2.493 8.793 8.704 1.00 0.00 C ATOM 55 C SER A 4 -1.853 7.914 7.641 1.00 0.00 C ATOM 56 O SER A 4 -2.067 6.703 7.592 1.00 0.00 O ATOM 57 CB SER A 4 -1.412 9.328 9.639 1.00 0.00 C ATOM 58 OG SER A 4 -1.665 8.956 10.983 1.00 0.00 O ATOM 0 H SER A 4 -3.174 7.451 10.164 1.00 0.00 H new ATOM 0 HA SER A 4 -2.984 9.637 8.219 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.439 8.946 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.367 10.414 9.562 1.00 0.00 H new ATOM 0 HG SER A 4 -0.956 9.310 11.560 1.00 0.00 H new ATOM 64 N CYS A 5 -1.071 8.553 6.790 1.00 0.00 N ATOM 65 CA CYS A 5 -0.380 7.886 5.701 1.00 0.00 C ATOM 66 C CYS A 5 1.015 8.500 5.542 1.00 0.00 C ATOM 67 O CYS A 5 1.347 9.464 6.232 1.00 0.00 O ATOM 68 CB CYS A 5 -1.260 7.998 4.445 1.00 0.00 C ATOM 69 SG CYS A 5 -0.462 8.646 2.961 1.00 0.00 S ATOM 0 H CYS A 5 -0.896 9.557 6.835 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.223 6.825 5.895 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.656 7.009 4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.112 8.635 4.681 1.00 0.00 H new ATOM 74 N SER A 6 1.842 7.939 4.664 1.00 0.00 N ATOM 75 CA SER A 6 3.197 8.452 4.480 1.00 0.00 C ATOM 76 C SER A 6 3.176 9.800 3.785 1.00 0.00 C ATOM 77 O SER A 6 3.847 10.742 4.205 1.00 0.00 O ATOM 78 CB SER A 6 4.045 7.468 3.679 1.00 0.00 C ATOM 79 OG SER A 6 5.405 7.861 3.679 1.00 0.00 O ATOM 0 H SER A 6 1.603 7.140 4.076 1.00 0.00 H new ATOM 0 HA SER A 6 3.642 8.576 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.950 6.469 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.677 7.414 2.654 1.00 0.00 H new ATOM 0 HG SER A 6 5.965 7.103 3.948 1.00 0.00 H new ATOM 85 N ALA A 7 2.395 9.878 2.720 1.00 0.00 N ATOM 86 CA ALA A 7 2.266 11.113 1.945 1.00 0.00 C ATOM 87 C ALA A 7 2.161 12.333 2.859 1.00 0.00 C ATOM 88 O ALA A 7 1.182 12.496 3.587 1.00 0.00 O ATOM 89 CB ALA A 7 1.057 11.036 1.024 1.00 0.00 C ATOM 0 H ALA A 7 1.837 9.101 2.367 1.00 0.00 H new ATOM 0 HA ALA A 7 3.165 11.224 1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.974 11.962 0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.175 10.197 0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.155 10.894 1.619 1.00 0.00 H new ATOM 95 N TYR A 8 3.186 13.182 2.822 1.00 0.00 N ATOM 96 CA TYR A 8 3.224 14.385 3.651 1.00 0.00 C ATOM 97 C TYR A 8 1.936 15.196 3.521 1.00 0.00 C ATOM 98 O TYR A 8 1.500 15.515 2.415 1.00 0.00 O ATOM 99 CB TYR A 8 4.423 15.255 3.265 1.00 0.00 C ATOM 100 CG TYR A 8 4.618 16.449 4.170 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.324 16.335 5.361 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.095 17.691 3.833 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.503 17.425 6.192 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.270 18.786 4.660 1.00 0.00 C ATOM 105 CZ TYR A 8 4.974 18.648 5.836 1.00 0.00 C ATOM 106 OH TYR A 8 5.149 19.735 6.661 1.00 0.00 O ATOM 0 H TYR A 8 4.004 13.058 2.225 1.00 0.00 H new ATOM 0 HA TYR A 8 3.323 14.068 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.326 14.644 3.283 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.294 15.603 2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.740 15.379 5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.543 17.803 2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.054 17.320 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.856 19.745 4.385 1.00 0.00 H new ATOM 0 HH TYR A 8 4.716 20.520 6.265 1.00 0.00 H new ATOM 116 N GLY A 9 1.337 15.531 4.663 1.00 0.00 N ATOM 117 CA GLY A 9 0.109 16.309 4.664 1.00 0.00 C ATOM 118 C GLY A 9 -0.932 15.758 3.715 1.00 0.00 C ATOM 119 O GLY A 9 -1.516 16.492 2.920 1.00 0.00 O ATOM 0 H GLY A 9 1.682 15.277 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.301 16.331 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.336 17.339 4.389 1.00 0.00 H new ATOM 123 N CYS A 10 -1.152 14.461 3.803 1.00 0.00 N ATOM 124 CA CYS A 10 -2.118 13.786 2.954 1.00 0.00 C ATOM 125 C CYS A 10 -3.550 14.141 3.363 1.00 0.00 C ATOM 126 O CYS A 10 -3.789 14.602 4.479 1.00 0.00 O ATOM 127 CB CYS A 10 -1.894 12.275 3.018 1.00 0.00 C ATOM 128 SG CYS A 10 -2.917 11.352 1.857 1.00 0.00 S ATOM 0 H CYS A 10 -0.670 13.847 4.460 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.976 14.121 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.844 12.062 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.101 11.927 4.030 1.00 0.00 H new ATOM 133 N LYS A 11 -4.498 13.937 2.447 1.00 0.00 N ATOM 134 CA LYS A 11 -5.898 14.248 2.704 1.00 0.00 C ATOM 135 C LYS A 11 -6.715 12.988 2.989 1.00 0.00 C ATOM 136 O LYS A 11 -7.944 13.005 2.931 1.00 0.00 O ATOM 137 CB LYS A 11 -6.496 14.995 1.511 1.00 0.00 C ATOM 138 CG LYS A 11 -7.337 16.193 1.904 1.00 0.00 C ATOM 139 CD LYS A 11 -6.478 17.434 2.050 1.00 0.00 C ATOM 140 CE LYS A 11 -7.230 18.552 2.754 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.857 19.493 1.786 1.00 0.00 N ATOM 0 H LYS A 11 -4.317 13.556 1.518 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.939 14.881 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.688 15.327 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.110 14.305 0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.106 16.365 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.851 15.989 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.577 17.190 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.157 17.774 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.000 18.124 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.545 19.100 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.360 20.241 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.120 19.921 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.530 18.976 1.185 1.00 0.00 H new ATOM 155 N ASN A 12 -6.022 11.901 3.293 1.00 0.00 N ATOM 156 CA ASN A 12 -6.659 10.629 3.585 1.00 0.00 C ATOM 157 C ASN A 12 -7.539 10.703 4.823 1.00 0.00 C ATOM 158 O ASN A 12 -7.380 11.585 5.666 1.00 0.00 O ATOM 159 CB ASN A 12 -5.585 9.580 3.804 1.00 0.00 C ATOM 160 CG ASN A 12 -4.802 9.839 5.074 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.370 10.069 6.140 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.491 9.805 4.962 1.00 0.00 N ATOM 0 H ASN A 12 -5.004 11.877 3.344 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.294 10.368 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.045 8.593 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.905 9.572 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.905 9.973 5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.061 9.610 4.058 1.00 0.00 H new ATOM 169 N ARG A 13 -8.449 9.745 4.935 1.00 0.00 N ATOM 170 CA ARG A 13 -9.341 9.670 6.093 1.00 0.00 C ATOM 171 C ARG A 13 -10.063 8.329 6.158 1.00 0.00 C ATOM 172 O ARG A 13 -10.902 8.025 5.310 1.00 0.00 O ATOM 173 CB ARG A 13 -10.368 10.809 6.076 1.00 0.00 C ATOM 174 CG ARG A 13 -10.606 11.417 4.699 1.00 0.00 C ATOM 175 CD ARG A 13 -11.637 12.538 4.745 1.00 0.00 C ATOM 176 NE ARG A 13 -11.309 13.624 3.823 1.00 0.00 N ATOM 177 CZ ARG A 13 -10.501 14.638 4.124 1.00 0.00 C ATOM 178 NH1 ARG A 13 -9.915 14.702 5.314 1.00 0.00 N ATOM 179 NH2 ARG A 13 -10.273 15.590 3.230 1.00 0.00 N ATOM 0 H ARG A 13 -8.592 9.010 4.243 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.717 9.770 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.315 10.434 6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.034 11.594 6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.666 11.804 4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.944 10.641 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.620 12.137 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.700 12.931 5.760 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.725 13.603 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.083 13.971 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.297 15.482 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.717 15.545 2.313 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.654 16.368 3.460 1.00 0.00 H new ATOM 193 N TYR A 14 -9.743 7.531 7.178 1.00 0.00 N ATOM 194 CA TYR A 14 -10.377 6.232 7.352 1.00 0.00 C ATOM 195 C TYR A 14 -11.839 6.405 7.754 1.00 0.00 C ATOM 196 O TYR A 14 -12.182 6.319 8.933 1.00 0.00 O ATOM 197 CB TYR A 14 -9.629 5.428 8.413 1.00 0.00 C ATOM 198 CG TYR A 14 -10.144 4.015 8.576 1.00 0.00 C ATOM 199 CD1 TYR A 14 -9.625 2.974 7.817 1.00 0.00 C ATOM 200 CD2 TYR A 14 -11.149 3.723 9.491 1.00 0.00 C ATOM 201 CE1 TYR A 14 -10.091 1.682 7.964 1.00 0.00 C ATOM 202 CE2 TYR A 14 -11.621 2.433 9.642 1.00 0.00 C ATOM 203 CZ TYR A 14 -11.090 1.418 8.877 1.00 0.00 C ATOM 204 OH TYR A 14 -11.558 0.132 9.026 1.00 0.00 O ATOM 0 H TYR A 14 -9.051 7.764 7.891 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.340 5.692 6.406 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.571 5.393 8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.704 5.946 9.369 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.844 3.178 7.100 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.567 4.516 10.093 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -9.675 0.883 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.403 2.222 10.357 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.260 0.116 9.710 1.00 0.00 H new ATOM 214 N ASP A 15 -12.695 6.659 6.768 1.00 0.00 N ATOM 215 CA ASP A 15 -14.119 6.856 7.025 1.00 0.00 C ATOM 216 C ASP A 15 -14.963 5.825 6.281 1.00 0.00 C ATOM 217 O ASP A 15 -14.530 5.259 5.278 1.00 0.00 O ATOM 218 CB ASP A 15 -14.540 8.264 6.607 1.00 0.00 C ATOM 219 CG ASP A 15 -15.915 8.635 7.128 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.244 8.242 8.268 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.661 9.320 6.397 1.00 0.00 O ATOM 0 H ASP A 15 -12.429 6.733 5.786 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.286 6.729 8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.809 8.983 6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.536 8.334 5.519 1.00 0.00 H new ATOM 226 N LYS A 16 -16.175 5.595 6.777 1.00 0.00 N ATOM 227 CA LYS A 16 -17.087 4.641 6.156 1.00 0.00 C ATOM 228 C LYS A 16 -17.540 5.142 4.791 1.00 0.00 C ATOM 229 O LYS A 16 -17.846 4.356 3.895 1.00 0.00 O ATOM 230 CB LYS A 16 -18.303 4.402 7.053 1.00 0.00 C ATOM 231 CG LYS A 16 -19.291 3.399 6.484 1.00 0.00 C ATOM 232 CD LYS A 16 -18.896 1.969 6.823 1.00 0.00 C ATOM 233 CE LYS A 16 -20.089 1.155 7.305 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.307 1.416 6.489 1.00 0.00 N ATOM 0 H LYS A 16 -16.548 6.056 7.607 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.555 3.699 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.962 4.051 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.815 5.350 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.287 3.605 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.346 3.515 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -18.462 1.493 5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.126 1.977 7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.845 0.094 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.293 1.394 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.895 0.558 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.851 2.193 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.028 1.679 5.522 1.00 0.00 H new ATOM 248 N ASP A 17 -17.574 6.457 4.647 1.00 0.00 N ATOM 249 CA ASP A 17 -17.981 7.089 3.405 1.00 0.00 C ATOM 250 C ASP A 17 -16.842 7.056 2.395 1.00 0.00 C ATOM 251 O ASP A 17 -17.021 6.643 1.250 1.00 0.00 O ATOM 252 CB ASP A 17 -18.384 8.534 3.682 1.00 0.00 C ATOM 253 CG ASP A 17 -19.876 8.757 3.524 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.498 8.059 2.696 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.422 9.631 4.229 1.00 0.00 O ATOM 0 H ASP A 17 -17.321 7.113 5.386 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.829 6.545 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.084 8.805 4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.846 9.195 3.003 1.00 0.00 H new ATOM 260 N LYS A 18 -15.673 7.500 2.837 1.00 0.00 N ATOM 261 CA LYS A 18 -14.490 7.539 2.009 1.00 0.00 C ATOM 262 C LYS A 18 -13.807 6.166 2.000 1.00 0.00 C ATOM 263 O LYS A 18 -13.157 5.789 2.975 1.00 0.00 O ATOM 264 CB LYS A 18 -13.566 8.605 2.575 1.00 0.00 C ATOM 265 CG LYS A 18 -12.648 9.279 1.559 1.00 0.00 C ATOM 266 CD LYS A 18 -11.791 8.284 0.789 1.00 0.00 C ATOM 267 CE LYS A 18 -12.119 8.291 -0.697 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.111 9.668 -1.263 1.00 0.00 N ATOM 0 H LYS A 18 -15.525 7.844 3.786 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.747 7.782 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.174 9.372 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.950 8.153 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.251 9.853 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.000 9.987 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.737 8.525 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.946 7.283 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.395 7.675 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.099 7.840 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.848 9.629 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.058 10.088 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.421 10.251 -0.748 1.00 0.00 H new ATOM 282 N PRO A 19 -13.959 5.390 0.908 1.00 0.00 N ATOM 283 CA PRO A 19 -13.373 4.042 0.781 1.00 0.00 C ATOM 284 C PRO A 19 -11.849 4.016 0.734 1.00 0.00 C ATOM 285 O PRO A 19 -11.251 3.207 0.024 1.00 0.00 O ATOM 286 CB PRO A 19 -13.913 3.556 -0.553 1.00 0.00 C ATOM 287 CG PRO A 19 -14.190 4.812 -1.306 1.00 0.00 C ATOM 288 CD PRO A 19 -14.734 5.740 -0.290 1.00 0.00 C ATOM 0 HA PRO A 19 -13.633 3.435 1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.188 2.930 -1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.816 2.959 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.283 5.210 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.904 4.643 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.592 6.782 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.803 5.594 -0.138 1.00 0.00 H new ATOM 296 N VAL A 20 -11.237 4.889 1.489 1.00 0.00 N ATOM 297 CA VAL A 20 -9.782 4.973 1.547 1.00 0.00 C ATOM 298 C VAL A 20 -9.193 3.804 2.333 1.00 0.00 C ATOM 299 O VAL A 20 -9.701 3.436 3.392 1.00 0.00 O ATOM 300 CB VAL A 20 -9.313 6.300 2.183 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.548 6.297 3.687 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.847 6.559 1.868 1.00 0.00 C ATOM 0 H VAL A 20 -11.720 5.564 2.082 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.425 4.931 0.518 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.904 7.108 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.209 7.243 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.612 6.170 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.992 5.477 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.537 7.499 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.240 5.745 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.712 6.619 0.788 1.00 0.00 H new ATOM 312 N SER A 21 -8.112 3.237 1.814 1.00 0.00 N ATOM 313 CA SER A 21 -7.440 2.124 2.470 1.00 0.00 C ATOM 314 C SER A 21 -5.989 2.479 2.760 1.00 0.00 C ATOM 315 O SER A 21 -5.447 3.429 2.195 1.00 0.00 O ATOM 316 CB SER A 21 -7.503 0.867 1.604 1.00 0.00 C ATOM 317 OG SER A 21 -7.586 1.196 0.228 1.00 0.00 O ATOM 0 H SER A 21 -7.681 3.531 0.938 1.00 0.00 H new ATOM 0 HA SER A 21 -7.953 1.925 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.619 0.255 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.368 0.268 1.890 1.00 0.00 H new ATOM 0 HG SER A 21 -7.623 0.373 -0.303 1.00 0.00 H new ATOM 323 N PHE A 22 -5.366 1.719 3.648 1.00 0.00 N ATOM 324 CA PHE A 22 -3.981 1.963 4.019 1.00 0.00 C ATOM 325 C PHE A 22 -3.162 0.679 3.940 1.00 0.00 C ATOM 326 O PHE A 22 -3.653 -0.407 4.246 1.00 0.00 O ATOM 327 CB PHE A 22 -3.939 2.564 5.417 1.00 0.00 C ATOM 328 CG PHE A 22 -4.461 3.977 5.449 1.00 0.00 C ATOM 329 CD1 PHE A 22 -5.804 4.239 5.218 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.608 5.044 5.686 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.287 5.537 5.226 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.086 6.345 5.690 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.427 6.591 5.461 1.00 0.00 C ATOM 0 H PHE A 22 -5.798 0.928 4.125 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.536 2.669 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.529 1.946 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.913 2.550 5.785 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.482 3.420 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.560 4.859 5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.336 5.724 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.410 7.167 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.801 7.604 5.466 1.00 0.00 H new ATOM 343 N HIS A 23 -1.918 0.816 3.498 1.00 0.00 N ATOM 344 CA HIS A 23 -1.025 -0.330 3.338 1.00 0.00 C ATOM 345 C HIS A 23 0.379 -0.037 3.866 1.00 0.00 C ATOM 346 O HIS A 23 1.030 0.900 3.424 1.00 0.00 O ATOM 347 CB HIS A 23 -0.935 -0.705 1.862 1.00 0.00 C ATOM 348 CG HIS A 23 -2.253 -0.682 1.159 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.085 0.346 0.874 1.00 0.00 N flip ATOM 350 CD2 HIS A 23 -2.863 -1.814 0.665 1.00 0.00 C flip ATOM 351 CE1 HIS A 23 -4.171 -0.178 0.219 1.00 0.00 C flip ATOM 352 NE2 HIS A 23 -4.013 -1.484 0.105 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.502 1.711 3.243 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.439 -1.155 3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.253 -0.017 1.362 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.503 -1.702 1.774 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -2.933 1.328 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.463 -2.815 0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.017 0.386 -0.144 1.00 0.00 H new ATOM 361 N LYS A 24 0.848 -0.859 4.792 1.00 0.00 N ATOM 362 CA LYS A 24 2.187 -0.692 5.360 1.00 0.00 C ATOM 363 C LYS A 24 3.255 -1.005 4.314 1.00 0.00 C ATOM 364 O LYS A 24 2.995 -1.737 3.359 1.00 0.00 O ATOM 365 CB LYS A 24 2.364 -1.603 6.578 1.00 0.00 C ATOM 366 CG LYS A 24 2.102 -0.904 7.902 1.00 0.00 C ATOM 367 CD LYS A 24 0.652 -1.059 8.339 1.00 0.00 C ATOM 368 CE LYS A 24 -0.001 0.289 8.601 1.00 0.00 C ATOM 369 NZ LYS A 24 0.273 0.780 9.980 1.00 0.00 N ATOM 0 H LYS A 24 0.326 -1.650 5.169 1.00 0.00 H new ATOM 0 HA LYS A 24 2.300 0.345 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.689 -2.454 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.379 -2.000 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.760 -1.315 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.344 0.155 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.094 -1.591 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.607 -1.668 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.365 1.017 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.078 0.206 8.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.189 1.701 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.099 0.098 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.299 0.884 10.114 1.00 0.00 H new ATOM 383 N PHE A 25 4.458 -0.454 4.491 1.00 0.00 N ATOM 384 CA PHE A 25 5.538 -0.700 3.539 1.00 0.00 C ATOM 385 C PHE A 25 5.800 -2.198 3.412 1.00 0.00 C ATOM 386 O PHE A 25 5.952 -2.901 4.411 1.00 0.00 O ATOM 387 CB PHE A 25 6.809 0.063 3.925 1.00 0.00 C ATOM 388 CG PHE A 25 7.114 1.185 2.965 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.534 2.434 3.132 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.957 0.983 1.883 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.795 3.462 2.240 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.216 2.005 0.984 1.00 0.00 C ATOM 393 CZ PHE A 25 7.636 3.245 1.164 1.00 0.00 C ATOM 0 H PHE A 25 4.704 0.155 5.271 1.00 0.00 H new ATOM 0 HA PHE A 25 5.227 -0.326 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.696 0.468 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.651 -0.628 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.871 2.607 3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.418 0.017 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.342 4.432 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.871 1.832 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.839 4.044 0.466 1.00 0.00 H new ATOM 403 N PRO A 26 5.807 -2.712 2.169 1.00 0.00 N ATOM 404 CA PRO A 26 5.993 -4.134 1.893 1.00 0.00 C ATOM 405 C PRO A 26 7.452 -4.539 1.707 1.00 0.00 C ATOM 406 O PRO A 26 8.306 -3.712 1.390 1.00 0.00 O ATOM 407 CB PRO A 26 5.223 -4.274 0.589 1.00 0.00 C ATOM 408 CG PRO A 26 5.554 -3.022 -0.138 1.00 0.00 C ATOM 409 CD PRO A 26 5.586 -1.952 0.920 1.00 0.00 C ATOM 0 HA PRO A 26 5.659 -4.772 2.711 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.534 -5.157 0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.151 -4.367 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.515 -3.103 -0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.808 -2.800 -0.901 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.385 -1.233 0.740 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.653 -1.390 0.951 1.00 0.00 H new ATOM 417 N LEU A 27 7.721 -5.826 1.908 1.00 0.00 N ATOM 418 CA LEU A 27 9.062 -6.367 1.766 1.00 0.00 C ATOM 419 C LEU A 27 9.161 -7.289 0.552 1.00 0.00 C ATOM 420 O LEU A 27 10.233 -7.448 -0.032 1.00 0.00 O ATOM 421 CB LEU A 27 9.467 -7.129 3.031 1.00 0.00 C ATOM 422 CG LEU A 27 8.705 -8.436 3.275 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.673 -9.595 3.464 1.00 0.00 C ATOM 424 CD2 LEU A 27 7.788 -8.305 4.483 1.00 0.00 C ATOM 0 H LEU A 27 7.018 -6.516 2.172 1.00 0.00 H new ATOM 0 HA LEU A 27 9.744 -5.530 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.532 -7.353 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.322 -6.476 3.892 1.00 0.00 H new ATOM 0 HG LEU A 27 8.091 -8.641 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.112 -10.513 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.286 -9.706 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.315 -9.396 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.256 -9.243 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.382 -8.073 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.069 -7.505 4.309 1.00 0.00 H new ATOM 436 N THR A 28 8.036 -7.893 0.178 1.00 0.00 N ATOM 437 CA THR A 28 7.998 -8.797 -0.968 1.00 0.00 C ATOM 438 C THR A 28 8.324 -8.039 -2.246 1.00 0.00 C ATOM 439 O THR A 28 8.863 -8.604 -3.198 1.00 0.00 O ATOM 440 CB THR A 28 6.622 -9.455 -1.083 1.00 0.00 C ATOM 441 OG1 THR A 28 5.593 -8.484 -1.001 1.00 0.00 O ATOM 442 CG2 THR A 28 6.362 -10.491 -0.011 1.00 0.00 C ATOM 0 H THR A 28 7.140 -7.773 0.651 1.00 0.00 H new ATOM 0 HA THR A 28 8.746 -9.576 -0.820 1.00 0.00 H new ATOM 0 HB THR A 28 6.620 -9.952 -2.053 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.721 -8.924 -1.078 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.369 -10.918 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.110 -11.281 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.420 -10.021 0.971 1.00 0.00 H new ATOM 450 N ARG A 29 7.992 -6.755 -2.251 1.00 0.00 N ATOM 451 CA ARG A 29 8.240 -5.889 -3.385 1.00 0.00 C ATOM 452 C ARG A 29 9.386 -4.933 -3.053 1.00 0.00 C ATOM 453 O ARG A 29 9.167 -3.917 -2.404 1.00 0.00 O ATOM 454 CB ARG A 29 6.955 -5.120 -3.684 1.00 0.00 C ATOM 455 CG ARG A 29 7.069 -4.170 -4.854 1.00 0.00 C ATOM 456 CD ARG A 29 6.958 -2.732 -4.388 1.00 0.00 C ATOM 457 NE ARG A 29 5.602 -2.207 -4.568 1.00 0.00 N ATOM 458 CZ ARG A 29 5.296 -1.036 -5.148 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.239 -0.177 -5.548 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.026 -0.717 -5.311 1.00 0.00 N ATOM 0 H ARG A 29 7.542 -6.288 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 29 8.527 -6.468 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.155 -5.833 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.666 -4.556 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.022 -4.321 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.285 -4.384 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.236 -2.668 -3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.664 -2.114 -4.943 1.00 0.00 H new ATOM 0 HE ARG A 29 4.829 -2.777 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.225 -0.404 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.973 0.705 -5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.295 -1.356 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.775 0.169 -5.750 1.00 0.00 H new ATOM 474 N PRO A 30 10.636 -5.278 -3.451 1.00 0.00 N ATOM 475 CA PRO A 30 11.828 -4.475 -3.157 1.00 0.00 C ATOM 476 C PRO A 30 12.233 -3.476 -4.249 1.00 0.00 C ATOM 477 O PRO A 30 12.102 -2.270 -4.062 1.00 0.00 O ATOM 478 CB PRO A 30 12.885 -5.543 -2.985 1.00 0.00 C ATOM 479 CG PRO A 30 12.480 -6.659 -3.902 1.00 0.00 C ATOM 480 CD PRO A 30 10.998 -6.506 -4.178 1.00 0.00 C ATOM 0 HA PRO A 30 11.666 -3.826 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.873 -5.162 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.934 -5.883 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.049 -6.618 -4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.687 -7.626 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.796 -6.414 -5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.432 -7.366 -3.819 1.00 0.00 H new ATOM 488 N SER A 31 12.739 -3.959 -5.384 1.00 0.00 N ATOM 489 CA SER A 31 13.154 -3.058 -6.460 1.00 0.00 C ATOM 490 C SER A 31 12.033 -2.090 -6.776 1.00 0.00 C ATOM 491 O SER A 31 12.208 -0.870 -6.751 1.00 0.00 O ATOM 492 CB SER A 31 13.546 -3.851 -7.711 1.00 0.00 C ATOM 493 OG SER A 31 14.954 -3.934 -7.840 1.00 0.00 O ATOM 0 H SER A 31 12.870 -4.951 -5.581 1.00 0.00 H new ATOM 0 HA SER A 31 14.028 -2.496 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.123 -4.854 -7.657 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.124 -3.374 -8.595 1.00 0.00 H new ATOM 0 HG SER A 31 15.179 -4.446 -8.645 1.00 0.00 H new ATOM 499 N LEU A 32 10.869 -2.654 -7.013 1.00 0.00 N ATOM 500 CA LEU A 32 9.677 -1.877 -7.277 1.00 0.00 C ATOM 501 C LEU A 32 9.422 -0.961 -6.084 1.00 0.00 C ATOM 502 O LEU A 32 8.960 0.168 -6.228 1.00 0.00 O ATOM 503 CB LEU A 32 8.505 -2.826 -7.473 1.00 0.00 C ATOM 504 CG LEU A 32 7.134 -2.172 -7.682 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.258 -0.815 -8.352 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.242 -3.077 -8.508 1.00 0.00 C ATOM 0 H LEU A 32 10.722 -3.663 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 32 9.800 -1.274 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.717 -3.460 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.444 -3.480 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 32 6.686 -2.022 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.266 -0.382 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.862 -0.155 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.735 -0.932 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.272 -2.601 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.704 -3.255 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.108 -4.027 -7.990 1.00 0.00 H new ATOM 518 N CYS A 33 9.742 -1.476 -4.894 1.00 0.00 N ATOM 519 CA CYS A 33 9.564 -0.735 -3.647 1.00 0.00 C ATOM 520 C CYS A 33 10.191 0.646 -3.733 1.00 0.00 C ATOM 521 O CYS A 33 9.701 1.600 -3.133 1.00 0.00 O ATOM 522 CB CYS A 33 10.197 -1.495 -2.490 1.00 0.00 C ATOM 523 SG CYS A 33 9.441 -1.158 -0.882 1.00 0.00 S ATOM 0 H CYS A 33 10.129 -2.412 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 33 8.493 -0.625 -3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.132 -2.564 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.257 -1.244 -2.441 1.00 0.00 H new ATOM 0 HG CYS A 33 9.177 -2.281 -0.283 1.00 0.00 H new ATOM 529 N LYS A 34 11.270 0.755 -4.498 1.00 0.00 N ATOM 530 CA LYS A 34 11.939 2.027 -4.673 1.00 0.00 C ATOM 531 C LYS A 34 10.898 3.051 -5.093 1.00 0.00 C ATOM 532 O LYS A 34 10.913 4.202 -4.659 1.00 0.00 O ATOM 533 CB LYS A 34 13.048 1.895 -5.734 1.00 0.00 C ATOM 534 CG LYS A 34 13.522 3.224 -6.305 1.00 0.00 C ATOM 535 CD LYS A 34 14.644 3.034 -7.320 1.00 0.00 C ATOM 536 CE LYS A 34 14.246 2.096 -8.454 1.00 0.00 C ATOM 537 NZ LYS A 34 14.280 2.781 -9.776 1.00 0.00 N ATOM 0 H LYS A 34 11.695 -0.022 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 34 12.410 2.347 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.899 1.377 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.683 1.271 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.685 3.735 -6.780 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.869 3.865 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.924 4.003 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.524 2.637 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.920 1.240 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.244 1.709 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.003 2.111 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.618 3.583 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.242 3.128 -9.962 1.00 0.00 H new ATOM 551 N GLU A 35 9.966 2.587 -5.913 1.00 0.00 N ATOM 552 CA GLU A 35 8.883 3.404 -6.390 1.00 0.00 C ATOM 553 C GLU A 35 8.111 3.969 -5.221 1.00 0.00 C ATOM 554 O GLU A 35 7.736 5.144 -5.198 1.00 0.00 O ATOM 555 CB GLU A 35 7.944 2.571 -7.262 1.00 0.00 C ATOM 556 CG GLU A 35 8.635 1.979 -8.459 1.00 0.00 C ATOM 557 CD GLU A 35 7.692 1.734 -9.621 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.657 2.429 -9.700 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.989 0.851 -10.452 1.00 0.00 O ATOM 0 H GLU A 35 9.948 1.629 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 35 9.295 4.221 -6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.514 1.769 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.117 3.196 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.433 2.648 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.104 1.038 -8.173 1.00 0.00 H new ATOM 566 N TRP A 36 7.902 3.111 -4.237 1.00 0.00 N ATOM 567 CA TRP A 36 7.184 3.498 -3.034 1.00 0.00 C ATOM 568 C TRP A 36 7.874 4.669 -2.374 1.00 0.00 C ATOM 569 O TRP A 36 7.219 5.548 -1.813 1.00 0.00 O ATOM 570 CB TRP A 36 7.030 2.334 -2.082 1.00 0.00 C ATOM 571 CG TRP A 36 5.717 1.634 -2.213 1.00 0.00 C ATOM 572 CD1 TRP A 36 5.073 1.268 -3.355 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.880 1.235 -1.137 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.889 0.638 -3.046 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.753 0.606 -1.677 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.985 1.344 0.238 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.742 0.089 -0.861 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.983 0.836 1.017 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.887 0.220 0.474 1.00 0.00 C ATOM 0 H TRP A 36 8.219 2.142 -4.247 1.00 0.00 H new ATOM 0 HA TRP A 36 6.178 3.808 -3.317 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.834 1.620 -2.259 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.142 2.693 -1.059 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.437 1.446 -4.356 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.223 0.258 -3.719 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.843 1.822 0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.876 -0.398 -1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.058 0.923 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.122 -0.170 1.129 1.00 0.00 H new ATOM 590 N GLU A 37 9.197 4.718 -2.482 1.00 0.00 N ATOM 591 CA GLU A 37 9.936 5.833 -1.916 1.00 0.00 C ATOM 592 C GLU A 37 9.353 7.138 -2.430 1.00 0.00 C ATOM 593 O GLU A 37 9.164 8.096 -1.679 1.00 0.00 O ATOM 594 CB GLU A 37 11.409 5.730 -2.290 1.00 0.00 C ATOM 595 CG GLU A 37 12.057 4.436 -1.833 1.00 0.00 C ATOM 596 CD GLU A 37 13.407 4.656 -1.179 1.00 0.00 C ATOM 597 OE1 GLU A 37 14.008 5.728 -1.404 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.863 3.756 -0.441 1.00 0.00 O ATOM 0 H GLU A 37 9.768 4.012 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 37 9.853 5.806 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.508 5.815 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.947 6.571 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.395 3.932 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.177 3.772 -2.689 1.00 0.00 H new ATOM 605 N ALA A 38 9.029 7.145 -3.714 1.00 0.00 N ATOM 606 CA ALA A 38 8.429 8.313 -4.337 1.00 0.00 C ATOM 607 C ALA A 38 7.088 8.597 -3.687 1.00 0.00 C ATOM 608 O ALA A 38 6.713 9.747 -3.464 1.00 0.00 O ATOM 609 CB ALA A 38 8.270 8.103 -5.835 1.00 0.00 C ATOM 0 H ALA A 38 9.172 6.355 -4.344 1.00 0.00 H new ATOM 0 HA ALA A 38 9.084 9.172 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.819 8.990 -6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.248 7.929 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.629 7.240 -6.015 1.00 0.00 H new ATOM 615 N ALA A 39 6.392 7.521 -3.354 1.00 0.00 N ATOM 616 CA ALA A 39 5.100 7.602 -2.695 1.00 0.00 C ATOM 617 C ALA A 39 5.185 8.486 -1.466 1.00 0.00 C ATOM 618 O ALA A 39 4.189 9.064 -1.028 1.00 0.00 O ATOM 619 CB ALA A 39 4.644 6.210 -2.291 1.00 0.00 C ATOM 0 H ALA A 39 6.708 6.568 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 39 4.380 8.036 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.675 6.274 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.558 5.583 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.372 5.773 -1.607 1.00 0.00 H new ATOM 625 N VAL A 40 6.380 8.565 -0.894 1.00 0.00 N ATOM 626 CA VAL A 40 6.593 9.348 0.301 1.00 0.00 C ATOM 627 C VAL A 40 7.144 10.731 -0.020 1.00 0.00 C ATOM 628 O VAL A 40 6.473 11.739 0.195 1.00 0.00 O ATOM 629 CB VAL A 40 7.562 8.611 1.251 1.00 0.00 C ATOM 630 CG1 VAL A 40 7.857 9.423 2.505 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.006 7.244 1.612 1.00 0.00 C ATOM 0 H VAL A 40 7.213 8.093 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 40 5.626 9.476 0.787 1.00 0.00 H new ATOM 0 HB VAL A 40 8.507 8.480 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.542 8.868 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.312 10.373 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.928 9.610 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.699 6.735 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.042 7.362 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.877 6.653 0.705 1.00 0.00 H new ATOM 641 N ARG A 41 8.375 10.768 -0.523 1.00 0.00 N ATOM 642 CA ARG A 41 9.040 12.028 -0.870 1.00 0.00 C ATOM 643 C ARG A 41 9.566 12.739 0.383 1.00 0.00 C ATOM 644 O ARG A 41 10.406 13.634 0.291 1.00 0.00 O ATOM 645 CB ARG A 41 8.079 12.949 -1.647 1.00 0.00 C ATOM 646 CG ARG A 41 8.722 14.191 -2.268 1.00 0.00 C ATOM 647 CD ARG A 41 8.932 15.294 -1.242 1.00 0.00 C ATOM 648 NE ARG A 41 10.324 15.737 -1.195 1.00 0.00 N ATOM 649 CZ ARG A 41 10.948 16.324 -2.214 1.00 0.00 C ATOM 650 NH1 ARG A 41 10.306 16.556 -3.353 1.00 0.00 N ATOM 651 NH2 ARG A 41 12.219 16.685 -2.093 1.00 0.00 N ATOM 0 H ARG A 41 8.938 9.936 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 41 9.892 11.794 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.608 12.369 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.285 13.270 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.680 13.920 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.090 14.562 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.289 16.141 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.632 14.936 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 41 10.847 15.588 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.328 16.284 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.791 17.006 -4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.717 16.513 -1.220 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.698 17.135 -2.873 1.00 0.00 H new ATOM 665 N ARG A 42 9.072 12.333 1.553 1.00 0.00 N ATOM 666 CA ARG A 42 9.492 12.928 2.817 1.00 0.00 C ATOM 667 C ARG A 42 10.996 12.748 3.027 1.00 0.00 C ATOM 668 O ARG A 42 11.639 11.974 2.318 1.00 0.00 O ATOM 669 CB ARG A 42 8.711 12.287 3.971 1.00 0.00 C ATOM 670 CG ARG A 42 8.979 12.917 5.330 1.00 0.00 C ATOM 671 CD ARG A 42 8.668 14.406 5.331 1.00 0.00 C ATOM 672 NE ARG A 42 9.116 15.056 6.560 1.00 0.00 N ATOM 673 CZ ARG A 42 8.529 14.893 7.744 1.00 0.00 C ATOM 674 NH1 ARG A 42 7.467 14.104 7.863 1.00 0.00 N ATOM 675 NH2 ARG A 42 9.003 15.520 8.811 1.00 0.00 N ATOM 0 H ARG A 42 8.378 11.592 1.649 1.00 0.00 H new ATOM 0 HA ARG A 42 9.281 13.997 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.645 12.355 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.960 11.227 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.375 12.418 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.023 12.763 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.150 14.878 4.475 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.594 14.553 5.214 1.00 0.00 H new ATOM 0 HE ARG A 42 9.927 15.672 6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.097 13.619 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.021 13.983 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.818 16.128 8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.553 15.395 9.718 1.00 0.00 H new ATOM 689 N LYS A 43 11.553 13.466 4.006 1.00 0.00 N ATOM 690 CA LYS A 43 12.981 13.385 4.308 1.00 0.00 C ATOM 691 C LYS A 43 13.466 11.936 4.322 1.00 0.00 C ATOM 692 O LYS A 43 14.285 11.538 3.494 1.00 0.00 O ATOM 693 CB LYS A 43 13.273 14.043 5.657 1.00 0.00 C ATOM 694 CG LYS A 43 13.644 15.514 5.550 1.00 0.00 C ATOM 695 CD LYS A 43 13.456 16.233 6.875 1.00 0.00 C ATOM 696 CE LYS A 43 14.495 15.802 7.897 1.00 0.00 C ATOM 697 NZ LYS A 43 13.989 15.926 9.292 1.00 0.00 N ATOM 0 H LYS A 43 11.034 14.110 4.603 1.00 0.00 H new ATOM 0 HA LYS A 43 13.519 13.916 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.397 13.944 6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.087 13.506 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.681 15.606 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.030 15.991 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.523 17.310 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.458 16.029 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.784 14.768 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.392 16.410 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.728 15.622 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.737 16.917 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.148 15.326 9.411 1.00 0.00 H new ATOM 711 N ASN A 44 12.954 11.151 5.265 1.00 0.00 N ATOM 712 CA ASN A 44 13.339 9.748 5.378 1.00 0.00 C ATOM 713 C ASN A 44 12.211 8.917 5.997 1.00 0.00 C ATOM 714 O ASN A 44 12.299 8.518 7.158 1.00 0.00 O ATOM 715 CB ASN A 44 14.613 9.606 6.217 1.00 0.00 C ATOM 716 CG ASN A 44 15.747 8.947 5.457 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.440 8.079 5.989 1.00 0.00 O ATOM 718 ND2 ASN A 44 15.945 9.349 4.211 1.00 0.00 N ATOM 0 H ASN A 44 12.274 11.461 5.959 1.00 0.00 H new ATOM 0 HA ASN A 44 13.533 9.373 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.932 10.592 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.391 9.021 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.694 8.937 3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.348 10.071 3.807 1.00 0.00 H new ATOM 725 N PHE A 45 11.159 8.658 5.207 1.00 0.00 N ATOM 726 CA PHE A 45 9.996 7.867 5.639 1.00 0.00 C ATOM 727 C PHE A 45 10.261 7.039 6.901 1.00 0.00 C ATOM 728 O PHE A 45 10.562 5.849 6.818 1.00 0.00 O ATOM 729 CB PHE A 45 9.571 6.933 4.493 1.00 0.00 C ATOM 730 CG PHE A 45 10.689 6.069 3.948 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.945 6.043 4.545 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.480 5.283 2.824 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.959 5.258 4.036 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.493 4.493 2.311 1.00 0.00 C ATOM 735 CZ PHE A 45 12.733 4.482 2.918 1.00 0.00 C ATOM 0 H PHE A 45 11.090 8.993 4.246 1.00 0.00 H new ATOM 0 HA PHE A 45 9.202 8.572 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.767 6.287 4.845 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.164 7.535 3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.129 6.647 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.513 5.288 2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.928 5.251 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.314 3.885 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.525 3.867 2.518 1.00 0.00 H new ATOM 745 N LYS A 46 10.131 7.670 8.066 1.00 0.00 N ATOM 746 CA LYS A 46 10.346 6.981 9.340 1.00 0.00 C ATOM 747 C LYS A 46 9.373 5.807 9.477 1.00 0.00 C ATOM 748 O LYS A 46 8.177 6.005 9.689 1.00 0.00 O ATOM 749 CB LYS A 46 10.169 7.961 10.509 1.00 0.00 C ATOM 750 CG LYS A 46 10.675 7.446 11.853 1.00 0.00 C ATOM 751 CD LYS A 46 10.521 8.501 12.937 1.00 0.00 C ATOM 752 CE LYS A 46 11.390 9.718 12.657 1.00 0.00 C ATOM 753 NZ LYS A 46 12.759 9.334 12.214 1.00 0.00 N ATOM 0 H LYS A 46 9.879 8.654 8.156 1.00 0.00 H new ATOM 0 HA LYS A 46 11.364 6.593 9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.690 8.888 10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.111 8.206 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.123 6.549 12.133 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.723 7.161 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.477 8.806 13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.791 8.074 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.919 10.331 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.458 10.330 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.389 10.159 12.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.121 8.574 12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.724 9.000 11.230 1.00 0.00 H new ATOM 767 N PRO A 47 9.869 4.563 9.325 1.00 0.00 N ATOM 768 CA PRO A 47 9.042 3.342 9.392 1.00 0.00 C ATOM 769 C PRO A 47 8.264 3.155 10.696 1.00 0.00 C ATOM 770 O PRO A 47 7.535 2.176 10.850 1.00 0.00 O ATOM 771 CB PRO A 47 10.071 2.227 9.228 1.00 0.00 C ATOM 772 CG PRO A 47 11.108 2.864 8.405 1.00 0.00 C ATOM 773 CD PRO A 47 11.271 4.224 9.029 1.00 0.00 C ATOM 0 HA PRO A 47 8.257 3.370 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.464 1.894 10.189 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.645 1.352 8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.040 2.299 8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.803 2.936 7.361 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.887 4.195 9.927 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.734 4.938 8.348 1.00 0.00 H new ATOM 781 N THR A 48 8.414 4.080 11.631 1.00 0.00 N ATOM 782 CA THR A 48 7.715 3.988 12.908 1.00 0.00 C ATOM 783 C THR A 48 6.204 4.002 12.693 1.00 0.00 C ATOM 784 O THR A 48 5.495 3.085 13.108 1.00 0.00 O ATOM 785 CB THR A 48 8.124 5.151 13.817 1.00 0.00 C ATOM 786 OG1 THR A 48 7.414 5.106 15.043 1.00 0.00 O ATOM 787 CG2 THR A 48 7.873 6.504 13.190 1.00 0.00 C ATOM 0 H THR A 48 9.011 4.901 11.533 1.00 0.00 H new ATOM 0 HA THR A 48 7.991 3.048 13.386 1.00 0.00 H new ATOM 0 HB THR A 48 9.195 5.032 13.981 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.691 5.856 15.609 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.182 7.288 13.881 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.445 6.588 12.266 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.811 6.612 12.971 1.00 0.00 H new ATOM 795 N LYS A 49 5.726 5.049 12.034 1.00 0.00 N ATOM 796 CA LYS A 49 4.308 5.201 11.746 1.00 0.00 C ATOM 797 C LYS A 49 4.096 5.554 10.273 1.00 0.00 C ATOM 798 O LYS A 49 3.006 5.365 9.733 1.00 0.00 O ATOM 799 CB LYS A 49 3.701 6.288 12.635 1.00 0.00 C ATOM 800 CG LYS A 49 3.959 6.074 14.119 1.00 0.00 C ATOM 801 CD LYS A 49 2.746 6.443 14.966 1.00 0.00 C ATOM 802 CE LYS A 49 2.203 7.824 14.621 1.00 0.00 C ATOM 803 NZ LYS A 49 1.157 7.762 13.563 1.00 0.00 N ATOM 0 H LYS A 49 6.307 5.812 11.686 1.00 0.00 H new ATOM 0 HA LYS A 49 3.811 4.254 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.107 7.256 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.625 6.327 12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.221 5.031 14.295 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.814 6.674 14.429 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.963 5.699 14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.019 6.415 16.021 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.786 8.284 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.021 8.462 14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.545 8.128 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.855 6.776 13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.340 8.339 13.848 1.00 0.00 H new ATOM 817 N TYR A 50 5.142 6.077 9.630 1.00 0.00 N ATOM 818 CA TYR A 50 5.059 6.461 8.230 1.00 0.00 C ATOM 819 C TYR A 50 5.170 5.251 7.307 1.00 0.00 C ATOM 820 O TYR A 50 4.733 5.314 6.161 1.00 0.00 O ATOM 821 CB TYR A 50 6.139 7.488 7.887 1.00 0.00 C ATOM 822 CG TYR A 50 5.941 8.822 8.574 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.697 9.439 8.588 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.999 9.462 9.207 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.511 10.657 9.213 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.821 10.682 9.835 1.00 0.00 C ATOM 827 CZ TYR A 50 5.576 11.274 9.835 1.00 0.00 C ATOM 828 OH TYR A 50 5.395 12.488 10.458 1.00 0.00 O ATOM 0 H TYR A 50 6.052 6.242 10.060 1.00 0.00 H new ATOM 0 HA TYR A 50 4.079 6.913 8.073 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.113 7.086 8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.154 7.642 6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.861 8.959 8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.975 9.000 9.209 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.537 11.123 9.214 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.653 11.168 10.323 1.00 0.00 H new ATOM 0 HH TYR A 50 6.244 12.786 10.848 1.00 0.00 H new ATOM 838 N SER A 51 5.760 4.156 7.800 1.00 0.00 N ATOM 839 CA SER A 51 5.913 2.941 6.989 1.00 0.00 C ATOM 840 C SER A 51 4.555 2.412 6.508 1.00 0.00 C ATOM 841 O SER A 51 4.125 1.326 6.900 1.00 0.00 O ATOM 842 CB SER A 51 6.643 1.853 7.789 1.00 0.00 C ATOM 843 OG SER A 51 7.909 1.559 7.220 1.00 0.00 O ATOM 0 H SER A 51 6.136 4.085 8.746 1.00 0.00 H new ATOM 0 HA SER A 51 6.506 3.202 6.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.772 2.182 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.035 0.949 7.817 1.00 0.00 H new ATOM 0 HG SER A 51 8.067 0.593 7.256 1.00 0.00 H new ATOM 849 N SER A 52 3.886 3.185 5.656 1.00 0.00 N ATOM 850 CA SER A 52 2.586 2.803 5.117 1.00 0.00 C ATOM 851 C SER A 52 2.116 3.831 4.099 1.00 0.00 C ATOM 852 O SER A 52 2.534 4.986 4.133 1.00 0.00 O ATOM 853 CB SER A 52 1.557 2.662 6.239 1.00 0.00 C ATOM 854 OG SER A 52 1.298 3.913 6.855 1.00 0.00 O ATOM 0 H SER A 52 4.227 4.087 5.323 1.00 0.00 H new ATOM 0 HA SER A 52 2.689 1.838 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.630 2.252 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.922 1.955 6.984 1.00 0.00 H new ATOM 0 HG SER A 52 0.636 3.796 7.568 1.00 0.00 H new ATOM 860 N ILE A 53 1.261 3.404 3.187 1.00 0.00 N ATOM 861 CA ILE A 53 0.750 4.277 2.151 1.00 0.00 C ATOM 862 C ILE A 53 -0.765 4.151 2.083 1.00 0.00 C ATOM 863 O ILE A 53 -1.322 3.132 2.489 1.00 0.00 O ATOM 864 CB ILE A 53 1.352 3.874 0.787 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.876 3.671 0.892 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.999 4.869 -0.323 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.699 4.942 0.926 1.00 0.00 C ATOM 0 H ILE A 53 0.905 2.449 3.145 1.00 0.00 H new ATOM 0 HA ILE A 53 1.025 5.306 2.382 1.00 0.00 H new ATOM 0 HB ILE A 53 0.901 2.921 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.088 3.097 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.204 3.068 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.446 4.541 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.084 4.920 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.384 5.855 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.757 4.689 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.526 5.512 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.408 5.541 1.789 1.00 0.00 H new ATOM 879 N CYS A 54 -1.437 5.175 1.575 1.00 0.00 N ATOM 880 CA CYS A 54 -2.884 5.133 1.477 1.00 0.00 C ATOM 881 C CYS A 54 -3.310 4.997 0.003 1.00 0.00 C ATOM 882 O CYS A 54 -2.542 5.333 -0.897 1.00 0.00 O ATOM 883 CB CYS A 54 -3.481 6.357 2.175 1.00 0.00 C ATOM 884 SG CYS A 54 -3.719 7.796 1.128 1.00 0.00 S ATOM 0 H CYS A 54 -1.008 6.033 1.229 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.276 4.255 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.443 6.077 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.831 6.635 3.005 1.00 0.00 H new ATOM 889 N SER A 55 -4.504 4.445 -0.242 1.00 0.00 N ATOM 890 CA SER A 55 -4.976 4.205 -1.610 1.00 0.00 C ATOM 891 C SER A 55 -5.039 5.467 -2.473 1.00 0.00 C ATOM 892 O SER A 55 -4.808 5.403 -3.681 1.00 0.00 O ATOM 893 CB SER A 55 -6.350 3.537 -1.587 1.00 0.00 C ATOM 894 OG SER A 55 -7.108 3.966 -0.469 1.00 0.00 O ATOM 0 H SER A 55 -5.158 4.157 0.486 1.00 0.00 H new ATOM 0 HA SER A 55 -4.237 3.547 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.887 3.772 -2.506 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.231 2.454 -1.555 1.00 0.00 H new ATOM 0 HG SER A 55 -8.057 3.781 -0.627 1.00 0.00 H new ATOM 900 N GLU A 56 -5.377 6.602 -1.869 1.00 0.00 N ATOM 901 CA GLU A 56 -5.502 7.855 -2.577 1.00 0.00 C ATOM 902 C GLU A 56 -4.418 8.064 -3.644 1.00 0.00 C ATOM 903 O GLU A 56 -4.635 8.785 -4.618 1.00 0.00 O ATOM 904 CB GLU A 56 -5.474 8.982 -1.561 1.00 0.00 C ATOM 905 CG GLU A 56 -6.554 8.860 -0.510 1.00 0.00 C ATOM 906 CD GLU A 56 -6.994 10.205 0.036 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.192 11.160 -0.023 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.140 10.301 0.523 1.00 0.00 O ATOM 0 H GLU A 56 -5.571 6.670 -0.870 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.448 7.842 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.500 8.998 -1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.586 9.934 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.415 8.347 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.189 8.241 0.310 1.00 0.00 H new ATOM 915 N HIS A 57 -3.254 7.449 -3.455 1.00 0.00 N ATOM 916 CA HIS A 57 -2.149 7.594 -4.405 1.00 0.00 C ATOM 917 C HIS A 57 -2.088 6.417 -5.370 1.00 0.00 C ATOM 918 O HIS A 57 -1.656 6.563 -6.513 1.00 0.00 O ATOM 919 CB HIS A 57 -0.823 7.723 -3.643 1.00 0.00 C ATOM 920 CG HIS A 57 -0.945 8.583 -2.439 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.412 9.879 -2.471 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.714 8.291 -1.146 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.467 10.346 -1.231 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.050 9.395 -0.403 1.00 0.00 N ATOM 0 H HIS A 57 -3.049 6.847 -2.657 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.320 8.497 -4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.480 6.732 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.064 8.137 -4.307 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.673 10.395 -3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.333 7.356 -0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.796 11.334 -0.943 1.00 0.00 H new ATOM 932 N PHE A 58 -2.521 5.252 -4.908 1.00 0.00 N ATOM 933 CA PHE A 58 -2.510 4.057 -5.738 1.00 0.00 C ATOM 934 C PHE A 58 -3.622 4.119 -6.788 1.00 0.00 C ATOM 935 O PHE A 58 -4.559 4.906 -6.654 1.00 0.00 O ATOM 936 CB PHE A 58 -2.683 2.814 -4.868 1.00 0.00 C ATOM 937 CG PHE A 58 -1.423 2.426 -4.160 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.391 1.820 -4.853 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.263 2.679 -2.806 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.778 1.471 -4.212 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.096 2.333 -2.162 1.00 0.00 C ATOM 942 CZ PHE A 58 0.925 1.729 -2.865 1.00 0.00 C ATOM 0 H PHE A 58 -2.883 5.110 -3.965 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.550 4.003 -6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.467 2.996 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.016 1.983 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.502 1.618 -5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.060 3.151 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.577 0.997 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.019 2.535 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.841 1.458 -2.360 1.00 0.00 H new ATOM 952 N THR A 59 -3.528 3.287 -7.826 1.00 0.00 N ATOM 953 CA THR A 59 -4.550 3.271 -8.872 1.00 0.00 C ATOM 954 C THR A 59 -5.753 2.431 -8.447 1.00 0.00 C ATOM 955 O THR A 59 -5.607 1.378 -7.827 1.00 0.00 O ATOM 956 CB THR A 59 -4.002 2.724 -10.195 1.00 0.00 C ATOM 957 OG1 THR A 59 -3.293 1.517 -9.984 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.080 3.673 -10.940 1.00 0.00 C ATOM 0 H THR A 59 -2.765 2.624 -7.964 1.00 0.00 H new ATOM 0 HA THR A 59 -4.860 4.305 -9.023 1.00 0.00 H new ATOM 0 HB THR A 59 -4.888 2.571 -10.811 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.953 1.183 -10.840 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.741 3.202 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.617 4.591 -11.177 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.218 3.908 -10.315 1.00 0.00 H new ATOM 966 N PRO A 60 -6.960 2.896 -8.797 1.00 0.00 N ATOM 967 CA PRO A 60 -8.221 2.206 -8.480 1.00 0.00 C ATOM 968 C PRO A 60 -8.254 0.770 -9.006 1.00 0.00 C ATOM 969 O PRO A 60 -8.746 -0.137 -8.335 1.00 0.00 O ATOM 970 CB PRO A 60 -9.274 3.043 -9.216 1.00 0.00 C ATOM 971 CG PRO A 60 -8.657 4.374 -9.365 1.00 0.00 C ATOM 972 CD PRO A 60 -7.191 4.140 -9.545 1.00 0.00 C ATOM 0 HA PRO A 60 -8.375 2.127 -7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.518 2.609 -10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.203 3.098 -8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.074 4.902 -10.222 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.847 4.991 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.926 4.034 -10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.599 4.965 -9.149 1.00 0.00 H new ATOM 980 N ASP A 61 -7.751 0.582 -10.224 1.00 0.00 N ATOM 981 CA ASP A 61 -7.743 -0.729 -10.865 1.00 0.00 C ATOM 982 C ASP A 61 -6.785 -1.706 -10.186 1.00 0.00 C ATOM 983 O ASP A 61 -6.860 -2.914 -10.416 1.00 0.00 O ATOM 984 CB ASP A 61 -7.374 -0.589 -12.343 1.00 0.00 C ATOM 985 CG ASP A 61 -7.581 -1.877 -13.115 1.00 0.00 C ATOM 986 OD1 ASP A 61 -8.579 -2.577 -12.845 1.00 0.00 O ATOM 987 OD2 ASP A 61 -6.745 -2.185 -13.990 1.00 0.00 O ATOM 0 H ASP A 61 -7.342 1.326 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.749 -1.137 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.976 0.201 -12.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.332 -0.282 -12.427 1.00 0.00 H new ATOM 992 N CYS A 62 -5.883 -1.190 -9.359 1.00 0.00 N ATOM 993 CA CYS A 62 -4.920 -2.034 -8.668 1.00 0.00 C ATOM 994 C CYS A 62 -5.455 -2.501 -7.315 1.00 0.00 C ATOM 995 O CYS A 62 -4.686 -2.849 -6.419 1.00 0.00 O ATOM 996 CB CYS A 62 -3.607 -1.276 -8.483 1.00 0.00 C ATOM 997 SG CYS A 62 -2.257 -2.294 -7.842 1.00 0.00 S ATOM 0 H CYS A 62 -5.800 -0.195 -9.152 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.745 -2.920 -9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.306 -0.852 -9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.774 -0.441 -7.803 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.673 -2.967 -6.811 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.777 -2.511 -7.170 1.00 0.00 N ATOM 1004 CA PHE A 63 -7.404 -2.941 -5.928 1.00 0.00 C ATOM 1005 C PHE A 63 -8.388 -4.076 -6.187 1.00 0.00 C ATOM 1006 O PHE A 63 -9.424 -4.179 -5.532 1.00 0.00 O ATOM 1007 CB PHE A 63 -8.119 -1.764 -5.267 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.183 -0.810 -4.581 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -6.379 -1.238 -3.538 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.105 0.514 -4.983 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.514 -0.365 -2.907 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.243 1.393 -4.356 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.446 0.953 -3.317 1.00 0.00 C ATOM 0 H PHE A 63 -7.433 -2.226 -7.898 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.627 -3.306 -5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.689 -1.223 -6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.836 -2.145 -4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.429 -2.267 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.725 0.863 -5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.892 -0.712 -2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.192 2.423 -4.678 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.771 1.638 -2.826 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.054 -4.924 -7.156 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.904 -6.054 -7.516 1.00 0.00 C ATOM 1025 C LYS A 64 -9.136 -6.975 -6.321 1.00 0.00 C ATOM 1026 O LYS A 64 -10.194 -7.596 -6.205 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.276 -6.842 -8.667 1.00 0.00 C ATOM 1028 CG LYS A 64 -6.858 -7.310 -8.381 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.612 -8.710 -8.923 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.821 -8.675 -10.222 1.00 0.00 C ATOM 1031 NZ LYS A 64 -6.565 -7.975 -11.306 1.00 0.00 N ATOM 0 H LYS A 64 -7.199 -4.849 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.869 -5.659 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.899 -7.709 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.271 -6.220 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.147 -6.615 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.680 -7.299 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.070 -9.298 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.566 -9.209 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.868 -8.174 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.594 -9.694 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.031 -8.046 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.499 -8.416 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.685 -6.973 -11.054 1.00 0.00 H new ATOM 1045 N ARG A 65 -8.148 -7.065 -5.437 1.00 0.00 N ATOM 1046 CA ARG A 65 -8.259 -7.915 -4.258 1.00 0.00 C ATOM 1047 C ARG A 65 -9.092 -7.239 -3.176 1.00 0.00 C ATOM 1048 O ARG A 65 -8.914 -6.055 -2.891 1.00 0.00 O ATOM 1049 CB ARG A 65 -6.871 -8.257 -3.710 1.00 0.00 C ATOM 1050 CG ARG A 65 -5.986 -8.977 -4.717 1.00 0.00 C ATOM 1051 CD ARG A 65 -4.641 -8.286 -4.876 1.00 0.00 C ATOM 1052 NE ARG A 65 -4.153 -8.350 -6.252 1.00 0.00 N ATOM 1053 CZ ARG A 65 -3.781 -9.475 -6.856 1.00 0.00 C ATOM 1054 NH1 ARG A 65 -3.839 -10.634 -6.210 1.00 0.00 N ATOM 1055 NH2 ARG A 65 -3.350 -9.444 -8.109 1.00 0.00 N ATOM 0 H ARG A 65 -7.264 -6.561 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.759 -8.837 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.377 -7.338 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.982 -8.881 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.831 -10.007 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.491 -9.018 -5.682 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.731 -7.243 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.913 -8.751 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.094 -7.480 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.170 -10.664 -5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.552 -11.494 -6.678 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.303 -8.557 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.065 -10.307 -8.572 1.00 0.00 H new ATOM 1069 N GLU A 66 -10.001 -7.999 -2.573 1.00 0.00 N ATOM 1070 CA GLU A 66 -10.859 -7.471 -1.520 1.00 0.00 C ATOM 1071 C GLU A 66 -10.034 -7.096 -0.292 1.00 0.00 C ATOM 1072 O GLU A 66 -8.910 -7.566 -0.126 1.00 0.00 O ATOM 1073 CB GLU A 66 -11.926 -8.499 -1.138 1.00 0.00 C ATOM 1074 CG GLU A 66 -11.355 -9.862 -0.780 1.00 0.00 C ATOM 1075 CD GLU A 66 -12.118 -11.002 -1.426 1.00 0.00 C ATOM 1076 OE1 GLU A 66 -12.645 -10.807 -2.541 1.00 0.00 O ATOM 1077 OE2 GLU A 66 -12.189 -12.089 -0.815 1.00 0.00 O ATOM 0 H GLU A 66 -10.162 -8.981 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.350 -6.574 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.498 -8.120 -0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.623 -8.613 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.311 -9.907 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.372 -9.986 0.303 1.00 0.00 H new ATOM 1084 N CYS A 67 -10.596 -6.245 0.559 1.00 0.00 N ATOM 1085 CA CYS A 67 -9.902 -5.808 1.768 1.00 0.00 C ATOM 1086 C CYS A 67 -9.671 -6.975 2.738 1.00 0.00 C ATOM 1087 O CYS A 67 -10.330 -7.060 3.775 1.00 0.00 O ATOM 1088 CB CYS A 67 -10.712 -4.712 2.466 1.00 0.00 C ATOM 1089 SG CYS A 67 -12.415 -5.185 2.850 1.00 0.00 S ATOM 0 H CYS A 67 -11.526 -5.845 0.436 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.929 -5.416 1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.206 -4.434 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.726 -3.826 1.832 1.00 0.00 H new ATOM 0 HG CYS A 67 -12.416 -6.306 3.509 1.00 0.00 H new ATOM 1095 N ASN A 68 -8.739 -7.878 2.405 1.00 0.00 N ATOM 1096 CA ASN A 68 -8.449 -9.017 3.257 1.00 0.00 C ATOM 1097 C ASN A 68 -7.345 -8.684 4.255 1.00 0.00 C ATOM 1098 O ASN A 68 -7.572 -8.662 5.464 1.00 0.00 O ATOM 1099 CB ASN A 68 -8.027 -10.196 2.387 1.00 0.00 C ATOM 1100 CG ASN A 68 -7.992 -11.503 3.154 1.00 0.00 C ATOM 1101 OD1 ASN A 68 -6.986 -12.212 3.151 1.00 0.00 O ATOM 1102 ND2 ASN A 68 -9.096 -11.831 3.817 1.00 0.00 N ATOM 0 H ASN A 68 -8.180 -7.834 1.553 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.346 -9.274 3.820 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.717 -10.289 1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.041 -9.999 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.132 -12.700 4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.908 -11.214 3.793 1.00 0.00 H new ATOM 1109 N ASN A 69 -6.151 -8.423 3.735 1.00 0.00 N ATOM 1110 CA ASN A 69 -5.007 -8.087 4.575 1.00 0.00 C ATOM 1111 C ASN A 69 -4.197 -6.950 3.961 1.00 0.00 C ATOM 1112 O ASN A 69 -3.811 -6.007 4.651 1.00 0.00 O ATOM 1113 CB ASN A 69 -4.116 -9.315 4.772 1.00 0.00 C ATOM 1114 CG ASN A 69 -4.903 -10.539 5.200 1.00 0.00 C ATOM 1115 OD1 ASN A 69 -4.780 -11.610 4.606 1.00 0.00 O ATOM 1116 ND2 ASN A 69 -5.720 -10.385 6.236 1.00 0.00 N ATOM 0 H ASN A 69 -5.950 -8.438 2.735 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.382 -7.759 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.590 -9.532 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.358 -9.093 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.276 -11.173 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.791 -9.479 6.699 1.00 0.00 H new ATOM 1123 N LYS A 70 -3.942 -7.045 2.659 1.00 0.00 N ATOM 1124 CA LYS A 70 -3.176 -6.023 1.955 1.00 0.00 C ATOM 1125 C LYS A 70 -3.413 -6.101 0.449 1.00 0.00 C ATOM 1126 O LYS A 70 -3.341 -7.176 -0.146 1.00 0.00 O ATOM 1127 CB LYS A 70 -1.683 -6.177 2.260 1.00 0.00 C ATOM 1128 CG LYS A 70 -1.072 -4.960 2.935 1.00 0.00 C ATOM 1129 CD LYS A 70 0.054 -5.353 3.879 1.00 0.00 C ATOM 1130 CE LYS A 70 1.177 -6.065 3.142 1.00 0.00 C ATOM 1131 NZ LYS A 70 1.679 -7.244 3.901 1.00 0.00 N ATOM 0 H LYS A 70 -4.254 -7.818 2.072 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.513 -5.047 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.539 -7.048 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.149 -6.373 1.330 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.691 -4.275 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.843 -4.425 3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.447 -4.462 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.337 -6.002 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.822 -6.388 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.997 -5.368 2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.444 -7.702 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.042 -6.933 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.903 -7.921 4.044 1.00 0.00 H new ATOM 1145 N LEU A 71 -3.688 -4.952 -0.162 1.00 0.00 N ATOM 1146 CA LEU A 71 -3.927 -4.885 -1.600 1.00 0.00 C ATOM 1147 C LEU A 71 -2.875 -4.014 -2.279 1.00 0.00 C ATOM 1148 O LEU A 71 -3.023 -2.794 -2.363 1.00 0.00 O ATOM 1149 CB LEU A 71 -5.326 -4.331 -1.886 1.00 0.00 C ATOM 1150 CG LEU A 71 -6.415 -4.775 -0.907 1.00 0.00 C ATOM 1151 CD1 LEU A 71 -7.758 -4.177 -1.296 1.00 0.00 C ATOM 1152 CD2 LEU A 71 -6.498 -6.293 -0.855 1.00 0.00 C ATOM 0 H LEU A 71 -3.751 -4.054 0.317 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.859 -5.896 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.276 -3.242 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.620 -4.631 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.154 -4.412 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.520 -4.504 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.690 -3.089 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.027 -4.509 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.278 -6.591 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.735 -6.679 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.541 -6.699 -0.527 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.814 -4.649 -2.765 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.735 -3.944 -3.439 1.00 0.00 C ATOM 1166 C LEU A 72 0.224 -4.939 -4.094 1.00 0.00 C ATOM 1167 O LEU A 72 1.424 -4.940 -3.822 1.00 0.00 O ATOM 1168 CB LEU A 72 0.015 -3.045 -2.449 1.00 0.00 C ATOM 1169 CG LEU A 72 0.879 -3.786 -1.422 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.324 -3.314 -1.494 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.325 -3.594 -0.018 1.00 0.00 C ATOM 0 H LEU A 72 -1.680 -5.658 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.164 -3.315 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.652 -2.363 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.712 -2.433 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 72 0.854 -4.849 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.920 -3.852 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.720 -3.506 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.368 -2.245 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.952 -4.127 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.317 -2.532 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.692 -3.985 0.029 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.326 -5.790 -4.957 1.00 0.00 N ATOM 1184 CA LYS A 73 0.457 -6.805 -5.657 1.00 0.00 C ATOM 1185 C LYS A 73 1.641 -6.194 -6.398 1.00 0.00 C ATOM 1186 O LYS A 73 1.840 -4.980 -6.388 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.434 -7.570 -6.639 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.633 -9.031 -6.263 1.00 0.00 C ATOM 1189 CD LYS A 73 -1.250 -9.172 -4.880 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.207 -9.540 -3.837 1.00 0.00 C ATOM 1191 NZ LYS A 73 -0.359 -8.738 -2.592 1.00 0.00 N ATOM 0 H LYS A 73 -1.319 -5.796 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 73 0.851 -7.493 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.407 -7.081 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.005 -7.516 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.275 -9.513 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.326 -9.548 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.732 -8.236 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.027 -9.936 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.291 -10.600 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.790 -9.384 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.371 -9.019 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.254 -7.728 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.301 -8.906 -2.184 1.00 0.00 H new ATOM 1205 N GLU A 74 2.424 -7.058 -7.039 1.00 0.00 N ATOM 1206 CA GLU A 74 3.601 -6.632 -7.794 1.00 0.00 C ATOM 1207 C GLU A 74 3.285 -5.444 -8.696 1.00 0.00 C ATOM 1208 O GLU A 74 4.156 -4.632 -9.001 1.00 0.00 O ATOM 1209 CB GLU A 74 4.143 -7.797 -8.629 1.00 0.00 C ATOM 1210 CG GLU A 74 5.297 -7.416 -9.545 1.00 0.00 C ATOM 1211 CD GLU A 74 4.827 -6.831 -10.862 1.00 0.00 C ATOM 1212 OE1 GLU A 74 4.202 -7.570 -11.651 1.00 0.00 O ATOM 1213 OE2 GLU A 74 5.084 -5.633 -11.105 1.00 0.00 O ATOM 0 H GLU A 74 2.263 -8.065 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 74 4.361 -6.318 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.472 -8.590 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.333 -8.206 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.935 -6.693 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.907 -8.298 -9.740 1.00 0.00 H new ATOM 1220 N ASN A 75 2.035 -5.347 -9.118 1.00 0.00 N ATOM 1221 CA ASN A 75 1.599 -4.256 -9.980 1.00 0.00 C ATOM 1222 C ASN A 75 1.614 -2.941 -9.219 1.00 0.00 C ATOM 1223 O ASN A 75 1.999 -1.898 -9.749 1.00 0.00 O ATOM 1224 CB ASN A 75 0.189 -4.527 -10.495 1.00 0.00 C ATOM 1225 CG ASN A 75 0.140 -5.691 -11.465 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.758 -5.654 -12.529 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -0.600 -6.733 -11.104 1.00 0.00 N ATOM 0 H ASN A 75 1.300 -6.012 -8.878 1.00 0.00 H new ATOM 0 HA ASN A 75 2.286 -4.188 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.469 -4.733 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.193 -3.632 -10.986 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.672 -7.544 -11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.096 -6.722 -10.213 1.00 0.00 H new ATOM 1234 N ALA A 76 1.167 -3.017 -7.975 1.00 0.00 N ATOM 1235 CA ALA A 76 1.078 -1.868 -7.081 1.00 0.00 C ATOM 1236 C ALA A 76 2.125 -0.805 -7.357 1.00 0.00 C ATOM 1237 O ALA A 76 3.276 -1.105 -7.668 1.00 0.00 O ATOM 1238 CB ALA A 76 1.156 -2.320 -5.634 1.00 0.00 C ATOM 0 H ALA A 76 0.851 -3.889 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 76 0.110 -1.404 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.088 -1.452 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.332 -3.001 -5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.103 -2.831 -5.463 1.00 0.00 H new ATOM 1244 N VAL A 77 1.688 0.445 -7.241 1.00 0.00 N ATOM 1245 CA VAL A 77 2.535 1.601 -7.471 1.00 0.00 C ATOM 1246 C VAL A 77 1.775 2.879 -7.079 1.00 0.00 C ATOM 1247 O VAL A 77 0.581 2.999 -7.353 1.00 0.00 O ATOM 1248 CB VAL A 77 2.944 1.666 -8.964 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.226 3.094 -9.418 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.146 0.777 -9.233 1.00 0.00 C ATOM 0 H VAL A 77 0.730 0.681 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 77 3.435 1.516 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 77 2.098 1.298 -9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.509 3.092 -10.471 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.331 3.702 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.040 3.511 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.415 0.838 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.987 1.108 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.899 -0.254 -8.981 1.00 0.00 H new ATOM 1260 N PRO A 78 2.447 3.847 -6.432 1.00 0.00 N ATOM 1261 CA PRO A 78 1.827 5.102 -6.008 1.00 0.00 C ATOM 1262 C PRO A 78 1.885 6.187 -7.084 1.00 0.00 C ATOM 1263 O PRO A 78 2.028 7.367 -6.768 1.00 0.00 O ATOM 1264 CB PRO A 78 2.677 5.497 -4.818 1.00 0.00 C ATOM 1265 CG PRO A 78 4.045 5.006 -5.158 1.00 0.00 C ATOM 1266 CD PRO A 78 3.868 3.802 -6.051 1.00 0.00 C ATOM 0 HA PRO A 78 0.765 4.985 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.669 6.576 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.309 5.042 -3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.619 5.782 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.595 4.740 -4.256 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.517 3.854 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.112 2.878 -5.528 1.00 0.00 H new ATOM 1274 N THR A 79 1.787 5.760 -8.345 1.00 0.00 N ATOM 1275 CA THR A 79 1.831 6.642 -9.525 1.00 0.00 C ATOM 1276 C THR A 79 1.850 8.140 -9.198 1.00 0.00 C ATOM 1277 O THR A 79 2.707 8.872 -9.695 1.00 0.00 O ATOM 1278 CB THR A 79 0.644 6.337 -10.440 1.00 0.00 C ATOM 1279 OG1 THR A 79 0.595 7.252 -11.520 1.00 0.00 O ATOM 1280 CG2 THR A 79 -0.691 6.393 -9.729 1.00 0.00 C ATOM 0 H THR A 79 1.673 4.775 -8.584 1.00 0.00 H new ATOM 0 HA THR A 79 2.778 6.428 -10.021 1.00 0.00 H new ATOM 0 HB THR A 79 0.806 5.318 -10.793 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.170 7.039 -12.094 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.489 6.167 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.704 5.662 -8.921 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.843 7.391 -9.318 1.00 0.00 H new ATOM 1288 N ILE A 80 0.890 8.603 -8.395 1.00 0.00 N ATOM 1289 CA ILE A 80 0.788 10.012 -8.049 1.00 0.00 C ATOM 1290 C ILE A 80 2.154 10.659 -7.786 1.00 0.00 C ATOM 1291 O ILE A 80 2.419 11.765 -8.259 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.150 10.228 -6.853 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.569 10.319 -7.389 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.206 11.494 -6.074 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.602 10.531 -6.324 1.00 0.00 C ATOM 0 H ILE A 80 0.171 8.015 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 80 0.361 10.509 -8.920 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.050 9.394 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.625 11.138 -8.106 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.802 9.403 -7.932 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.481 11.611 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.226 11.415 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.127 12.360 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.590 10.586 -6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.574 9.700 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.394 11.462 -5.796 1.00 0.00 H new ATOM 1307 N PHE A 81 3.020 9.973 -7.042 1.00 0.00 N ATOM 1308 CA PHE A 81 4.339 10.501 -6.745 1.00 0.00 C ATOM 1309 C PHE A 81 5.354 10.036 -7.784 1.00 0.00 C ATOM 1310 O PHE A 81 6.334 10.726 -8.062 1.00 0.00 O ATOM 1311 CB PHE A 81 4.812 10.103 -5.338 1.00 0.00 C ATOM 1312 CG PHE A 81 3.886 10.519 -4.235 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.574 10.080 -4.212 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.333 11.336 -3.209 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.727 10.445 -3.191 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.485 11.708 -2.184 1.00 0.00 C ATOM 1317 CZ PHE A 81 2.179 11.260 -2.175 1.00 0.00 C ATOM 0 H PHE A 81 2.828 9.056 -6.638 1.00 0.00 H new ATOM 0 HA PHE A 81 4.263 11.588 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.938 9.021 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.793 10.544 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.210 9.443 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.355 11.686 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.706 10.092 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.843 12.348 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.513 11.547 -1.374 1.00 0.00 H new ATOM 1327 N LEU A 82 5.110 8.861 -8.358 1.00 0.00 N ATOM 1328 CA LEU A 82 5.999 8.303 -9.370 1.00 0.00 C ATOM 1329 C LEU A 82 5.643 8.834 -10.756 1.00 0.00 C ATOM 1330 O LEU A 82 5.205 8.082 -11.627 1.00 0.00 O ATOM 1331 CB LEU A 82 5.924 6.775 -9.355 1.00 0.00 C ATOM 1332 CG LEU A 82 6.736 6.076 -10.451 1.00 0.00 C ATOM 1333 CD1 LEU A 82 7.877 5.273 -9.845 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.840 5.177 -11.291 1.00 0.00 C ATOM 0 H LEU A 82 4.303 8.277 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 82 7.019 8.610 -9.137 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.270 6.419 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.880 6.476 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 82 7.162 6.841 -11.100 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.441 4.785 -10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.536 5.940 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.473 4.518 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.435 4.690 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.383 4.420 -10.653 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.059 5.776 -11.759 1.00 0.00 H new ATOM 1346 N GLU A 83 5.833 10.135 -10.952 1.00 0.00 N ATOM 1347 CA GLU A 83 5.530 10.767 -12.231 1.00 0.00 C ATOM 1348 C GLU A 83 6.467 10.263 -13.324 1.00 0.00 C ATOM 1349 O GLU A 83 6.094 10.204 -14.495 1.00 0.00 O ATOM 1350 CB GLU A 83 5.640 12.288 -12.110 1.00 0.00 C ATOM 1351 CG GLU A 83 4.969 12.849 -10.867 1.00 0.00 C ATOM 1352 CD GLU A 83 4.817 14.357 -10.916 1.00 0.00 C ATOM 1353 OE1 GLU A 83 4.091 14.852 -11.805 1.00 0.00 O ATOM 1354 OE2 GLU A 83 5.423 15.043 -10.066 1.00 0.00 O ATOM 0 H GLU A 83 6.195 10.772 -10.242 1.00 0.00 H new ATOM 0 HA GLU A 83 4.508 10.504 -12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.693 12.568 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.194 12.748 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.986 12.392 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.553 12.575 -9.988 1.00 0.00 H new ATOM 1361 N LEU A 84 7.685 9.901 -12.935 1.00 0.00 N ATOM 1362 CA LEU A 84 8.674 9.401 -13.883 1.00 0.00 C ATOM 1363 C LEU A 84 8.167 8.146 -14.588 1.00 0.00 C ATOM 1364 O LEU A 84 7.559 7.276 -13.965 1.00 0.00 O ATOM 1365 CB LEU A 84 9.994 9.104 -13.166 1.00 0.00 C ATOM 1366 CG LEU A 84 11.072 10.177 -13.327 1.00 0.00 C ATOM 1367 CD1 LEU A 84 11.574 10.217 -14.762 1.00 0.00 C ATOM 1368 CD2 LEU A 84 10.538 11.537 -12.908 1.00 0.00 C ATOM 0 H LEU A 84 8.011 9.945 -11.969 1.00 0.00 H new ATOM 0 HA LEU A 84 8.844 10.172 -14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.791 8.971 -12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.387 8.157 -13.537 1.00 0.00 H new ATOM 0 HG LEU A 84 11.910 9.924 -12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.340 10.986 -14.858 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.997 9.248 -15.027 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.745 10.446 -15.431 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.319 12.288 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.682 11.799 -13.530 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.229 11.500 -11.863 1.00 0.00 H new ATOM 1380 N VAL A 85 8.423 8.060 -15.889 1.00 0.00 N ATOM 1381 CA VAL A 85 7.993 6.912 -16.678 1.00 0.00 C ATOM 1382 C VAL A 85 9.017 6.572 -17.757 1.00 0.00 C ATOM 1383 O VAL A 85 9.817 7.419 -18.154 1.00 0.00 O ATOM 1384 CB VAL A 85 6.628 7.168 -17.345 1.00 0.00 C ATOM 1385 CG1 VAL A 85 5.528 7.246 -16.298 1.00 0.00 C ATOM 1386 CG2 VAL A 85 6.671 8.438 -18.183 1.00 0.00 C ATOM 0 H VAL A 85 8.926 8.772 -16.419 1.00 0.00 H new ATOM 0 HA VAL A 85 7.901 6.072 -15.990 1.00 0.00 H new ATOM 0 HB VAL A 85 6.406 6.332 -18.008 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.571 7.427 -16.788 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.482 6.306 -15.748 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.741 8.061 -15.606 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.698 8.602 -18.646 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.917 9.287 -17.545 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.429 8.336 -18.959 1.00 0.00 H new ATOM 1396 N PRO A 86 9.006 5.321 -18.249 1.00 0.00 N ATOM 1397 CA PRO A 86 9.933 4.859 -19.291 1.00 0.00 C ATOM 1398 C PRO A 86 9.823 5.674 -20.575 1.00 0.00 C ATOM 1399 O PRO A 86 8.773 6.243 -20.873 1.00 0.00 O ATOM 1400 CB PRO A 86 9.471 3.416 -19.523 1.00 0.00 C ATOM 1401 CG PRO A 86 8.879 3.031 -18.224 1.00 0.00 C ATOM 1402 CD PRO A 86 8.091 4.238 -17.845 1.00 0.00 C ATOM 0 HA PRO A 86 10.978 4.955 -18.995 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.742 3.353 -20.331 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.304 2.766 -19.793 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.247 2.148 -18.314 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.645 2.800 -17.484 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.138 4.288 -18.371 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.868 4.265 -16.778 1.00 0.00 H new ATOM 1410 N ARG A 87 10.915 5.726 -21.332 1.00 0.00 N ATOM 1411 CA ARG A 87 10.941 6.472 -22.585 1.00 0.00 C ATOM 1412 C ARG A 87 11.564 5.639 -23.702 1.00 0.00 C ATOM 1413 O ARG A 87 12.751 5.275 -23.574 1.00 0.00 O ATOM 1414 CB ARG A 87 11.721 7.777 -22.411 1.00 0.00 C ATOM 1415 CG ARG A 87 13.010 7.616 -21.620 1.00 0.00 C ATOM 1416 CD ARG A 87 13.757 8.934 -21.491 1.00 0.00 C ATOM 1417 NE ARG A 87 14.044 9.266 -20.097 1.00 0.00 N ATOM 1418 CZ ARG A 87 13.160 9.825 -19.272 1.00 0.00 C ATOM 1419 NH1 ARG A 87 11.936 10.114 -19.694 1.00 0.00 N ATOM 1420 NH2 ARG A 87 13.503 10.094 -18.019 1.00 0.00 N ATOM 1421 OXT ARG A 87 10.858 5.358 -24.693 1.00 0.00 O ATOM 0 H ARG A 87 11.792 5.261 -21.100 1.00 0.00 H new ATOM 0 HA ARG A 87 9.913 6.706 -22.860 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.957 8.183 -23.395 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.085 8.506 -21.909 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.782 7.228 -20.627 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.649 6.882 -22.110 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.691 8.878 -22.050 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.165 9.732 -21.939 1.00 0.00 H new ATOM 0 HE ARG A 87 14.975 9.058 -19.735 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.666 9.908 -20.656 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.265 10.542 -19.057 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.442 9.873 -17.689 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.827 10.522 -17.386 1.00 0.00 H new TER 1435 ARG A 87 HETATM 1436 ZN ZN A 88 -1.996 9.302 1.361 1.00 0.00 ZN