USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 442 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 Single : A 1 ARG N :NH3+ 152:sc= -0.203 (180deg=-1.24) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -17.7! C(o=-18!,f=-29!) USER MOD Single : A 8 HIS : no HE2:sc= -22.2! C(o=-22!,f=-21!) USER MOD Single : A 10 THR OG1 : rot -77:sc= -0.831! USER MOD Single : A 11 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1.7!) USER MOD Single : A 12 THR OG1 : rot -51:sc= -0.016 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 17 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.21) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 41:sc= -2.91! USER MOD Single : A 27 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 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 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 4:sc= 0.849 USER MOD Single : A 49 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -39:sc= 0.179 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0296 (180deg=-0.343) USER MOD Single : A 63 ASN : amide:sc= -4.38! C(o=-4.4!,f=-7.5!) USER MOD Single : A 64 THR OG1 : rot -120:sc= -2.95! USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.942 15.033 -2.628 1.00 0.00 N ATOM 2 CA ARG A 1 2.913 13.593 -2.251 1.00 0.00 C ATOM 3 C ARG A 1 2.838 13.465 -0.725 1.00 0.00 C ATOM 4 O ARG A 1 3.240 14.355 -0.002 1.00 0.00 O ATOM 5 CB ARG A 1 4.164 12.910 -2.838 1.00 0.00 C ATOM 6 CG ARG A 1 5.156 12.479 -1.749 1.00 0.00 C ATOM 7 CD ARG A 1 6.576 12.557 -2.308 1.00 0.00 C ATOM 8 NE ARG A 1 7.478 13.170 -1.294 1.00 0.00 N ATOM 9 CZ ARG A 1 7.934 14.379 -1.473 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.264 15.226 -2.206 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.059 14.742 -0.920 1.00 0.00 N ATOM 0 H1 ARG A 1 3.447 15.146 -3.530 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.969 15.385 -2.730 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.430 15.576 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 1 2.032 13.097 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.861 12.037 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.659 13.594 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.060 13.124 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.936 11.463 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.930 11.560 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.586 13.149 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 1 7.739 12.645 -0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 1 6.385 14.942 -2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.620 16.172 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 1 9.583 14.080 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.415 15.688 -1.061 1.00 0.00 H new ATOM 27 N GLU A 2 2.313 12.375 -0.226 1.00 0.00 N ATOM 28 CA GLU A 2 2.209 12.228 1.255 1.00 0.00 C ATOM 29 C GLU A 2 2.510 10.795 1.686 1.00 0.00 C ATOM 30 O GLU A 2 1.812 10.223 2.500 1.00 0.00 O ATOM 31 CB GLU A 2 0.800 12.611 1.710 1.00 0.00 C ATOM 32 CG GLU A 2 -0.226 11.787 0.929 1.00 0.00 C ATOM 33 CD GLU A 2 -1.053 12.715 0.037 1.00 0.00 C ATOM 34 OE1 GLU A 2 -1.309 13.832 0.454 1.00 0.00 O ATOM 35 OE2 GLU A 2 -1.416 12.292 -1.049 1.00 0.00 O ATOM 0 H GLU A 2 1.957 11.591 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 2 2.942 12.889 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.690 12.431 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.629 13.675 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.281 11.037 0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.878 11.251 1.618 1.00 0.00 H new ATOM 42 N CYS A 3 3.551 10.217 1.172 1.00 0.00 N ATOM 43 CA CYS A 3 3.909 8.837 1.572 1.00 0.00 C ATOM 44 C CYS A 3 5.442 8.715 1.532 1.00 0.00 C ATOM 45 O CYS A 3 6.091 8.878 2.546 1.00 0.00 O ATOM 46 CB CYS A 3 3.195 7.824 0.651 1.00 0.00 C ATOM 47 SG CYS A 3 1.443 8.286 0.522 1.00 0.00 S ATOM 0 H CYS A 3 4.174 10.645 0.487 1.00 0.00 H new ATOM 0 HA CYS A 3 3.577 8.614 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.658 7.819 -0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.291 6.815 1.053 1.00 0.00 H new ATOM 52 N TYR A 4 6.025 8.479 0.385 1.00 0.00 N ATOM 53 CA TYR A 4 7.520 8.387 0.278 1.00 0.00 C ATOM 54 C TYR A 4 8.126 7.752 1.527 1.00 0.00 C ATOM 55 O TYR A 4 9.251 8.035 1.887 1.00 0.00 O ATOM 56 CB TYR A 4 8.100 9.792 0.130 1.00 0.00 C ATOM 57 CG TYR A 4 7.573 10.681 1.250 1.00 0.00 C ATOM 58 CD1 TYR A 4 6.378 11.393 1.080 1.00 0.00 C ATOM 59 CD2 TYR A 4 8.289 10.792 2.449 1.00 0.00 C ATOM 60 CE1 TYR A 4 5.900 12.216 2.108 1.00 0.00 C ATOM 61 CE2 TYR A 4 7.810 11.614 3.478 1.00 0.00 C ATOM 62 CZ TYR A 4 6.615 12.326 3.308 1.00 0.00 C ATOM 63 OH TYR A 4 6.145 13.139 4.321 1.00 0.00 O ATOM 0 H TYR A 4 5.526 8.344 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 4 7.759 7.769 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.189 9.753 0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.827 10.209 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.825 11.307 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.210 10.244 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.980 12.766 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.362 11.699 4.402 1.00 0.00 H new ATOM 0 HH TYR A 4 6.759 13.100 5.083 1.00 0.00 H new ATOM 73 N LEU A 5 7.394 6.930 2.210 1.00 0.00 N ATOM 74 CA LEU A 5 7.916 6.334 3.434 1.00 0.00 C ATOM 75 C LEU A 5 7.416 4.899 3.615 1.00 0.00 C ATOM 76 O LEU A 5 7.943 3.981 3.024 1.00 0.00 O ATOM 77 CB LEU A 5 7.451 7.189 4.582 1.00 0.00 C ATOM 78 CG LEU A 5 8.342 8.425 4.672 1.00 0.00 C ATOM 79 CD1 LEU A 5 7.645 9.491 5.516 1.00 0.00 C ATOM 80 CD2 LEU A 5 9.677 8.049 5.319 1.00 0.00 C ATOM 0 H LEU A 5 6.446 6.649 1.960 1.00 0.00 H new ATOM 0 HA LEU A 5 9.004 6.291 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.412 7.484 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.494 6.625 5.514 1.00 0.00 H new ATOM 0 HG LEU A 5 8.525 8.816 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.279 10.375 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.696 9.759 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.462 9.100 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.312 8.933 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.498 7.658 6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.173 7.289 4.715 1.00 0.00 H new ATOM 92 N ASN A 6 6.406 4.705 4.435 1.00 0.00 N ATOM 93 CA ASN A 6 5.863 3.335 4.676 1.00 0.00 C ATOM 94 C ASN A 6 7.026 2.358 4.901 1.00 0.00 C ATOM 95 O ASN A 6 8.171 2.764 4.932 1.00 0.00 O ATOM 96 CB ASN A 6 4.972 2.924 3.486 1.00 0.00 C ATOM 97 CG ASN A 6 5.754 2.170 2.397 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.954 2.021 2.457 1.00 0.00 O ATOM 99 ND2 ASN A 6 5.100 1.691 1.375 1.00 0.00 N ATOM 0 H ASN A 6 5.933 5.448 4.950 1.00 0.00 H new ATOM 0 HA ASN A 6 5.243 3.318 5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.158 2.294 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.518 3.815 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.600 1.196 0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.089 1.811 1.315 1.00 0.00 H new ATOM 106 N PRO A 7 6.710 1.100 5.064 1.00 0.00 N ATOM 107 CA PRO A 7 7.729 0.065 5.291 1.00 0.00 C ATOM 108 C PRO A 7 8.371 -0.317 3.958 1.00 0.00 C ATOM 109 O PRO A 7 9.541 -0.637 3.885 1.00 0.00 O ATOM 110 CB PRO A 7 6.933 -1.097 5.889 1.00 0.00 C ATOM 111 CG PRO A 7 5.461 -0.887 5.458 1.00 0.00 C ATOM 112 CD PRO A 7 5.326 0.591 5.037 1.00 0.00 C ATOM 0 HA PRO A 7 8.543 0.379 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.311 -2.053 5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.021 -1.110 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.202 -1.549 4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.781 -1.119 6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.886 0.684 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.684 1.144 5.723 1.00 0.00 H new ATOM 120 N HIS A 8 7.610 -0.264 2.902 1.00 0.00 N ATOM 121 CA HIS A 8 8.160 -0.597 1.562 1.00 0.00 C ATOM 122 C HIS A 8 8.746 0.667 0.938 1.00 0.00 C ATOM 123 O HIS A 8 9.094 1.608 1.623 1.00 0.00 O ATOM 124 CB HIS A 8 7.039 -1.140 0.678 1.00 0.00 C ATOM 125 CG HIS A 8 6.140 -2.022 1.500 1.00 0.00 C ATOM 126 ND1 HIS A 8 6.290 -3.400 1.535 1.00 0.00 N ATOM 127 CD2 HIS A 8 5.071 -1.741 2.311 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.330 -3.891 2.340 1.00 0.00 C ATOM 129 NE2 HIS A 8 4.559 -2.922 2.840 1.00 0.00 N ATOM 0 H HIS A 8 6.624 -0.002 2.911 1.00 0.00 H new ATOM 0 HA HIS A 8 8.941 -1.352 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.467 -0.317 0.250 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.458 -1.704 -0.155 1.00 0.00 H new ATOM 0 HD1 HIS A 8 6.999 -3.942 1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.684 -0.752 2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.199 -4.941 2.556 1.00 0.00 H new ATOM 137 N ASP A 9 8.871 0.688 -0.354 1.00 0.00 N ATOM 138 CA ASP A 9 9.450 1.885 -1.033 1.00 0.00 C ATOM 139 C ASP A 9 8.383 2.975 -1.205 1.00 0.00 C ATOM 140 O ASP A 9 8.655 4.037 -1.731 1.00 0.00 O ATOM 141 CB ASP A 9 9.981 1.481 -2.409 1.00 0.00 C ATOM 142 CG ASP A 9 11.170 2.369 -2.779 1.00 0.00 C ATOM 143 OD1 ASP A 9 11.586 3.148 -1.938 1.00 0.00 O ATOM 144 OD2 ASP A 9 11.645 2.254 -3.897 1.00 0.00 O ATOM 0 H ASP A 9 8.598 -0.073 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 9 10.261 2.277 -0.419 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.284 0.434 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.194 1.579 -3.157 1.00 0.00 H new ATOM 149 N THR A 10 7.173 2.728 -0.779 1.00 0.00 N ATOM 150 CA THR A 10 6.106 3.758 -0.940 1.00 0.00 C ATOM 151 C THR A 10 6.063 4.206 -2.403 1.00 0.00 C ATOM 152 O THR A 10 6.838 3.752 -3.220 1.00 0.00 O ATOM 153 CB THR A 10 6.408 4.974 -0.056 1.00 0.00 C ATOM 154 OG1 THR A 10 7.701 4.836 0.519 1.00 0.00 O ATOM 155 CG2 THR A 10 5.356 5.092 1.056 1.00 0.00 C ATOM 0 H THR A 10 6.878 1.862 -0.328 1.00 0.00 H new ATOM 0 HA THR A 10 5.148 3.330 -0.646 1.00 0.00 H new ATOM 0 HB THR A 10 6.378 5.875 -0.668 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.663 4.197 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.580 5.959 1.678 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.368 5.210 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.372 4.191 1.669 1.00 0.00 H new ATOM 163 N GLN A 11 5.169 5.095 -2.742 1.00 0.00 N ATOM 164 CA GLN A 11 5.095 5.565 -4.147 1.00 0.00 C ATOM 165 C GLN A 11 4.699 7.053 -4.200 1.00 0.00 C ATOM 166 O GLN A 11 4.545 7.621 -5.262 1.00 0.00 O ATOM 167 CB GLN A 11 4.083 4.710 -4.920 1.00 0.00 C ATOM 168 CG GLN A 11 3.688 5.410 -6.221 1.00 0.00 C ATOM 169 CD GLN A 11 2.858 4.458 -7.082 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.703 3.298 -6.751 1.00 0.00 O ATOM 171 NE2 GLN A 11 2.313 4.901 -8.180 1.00 0.00 N ATOM 0 H GLN A 11 4.490 5.513 -2.106 1.00 0.00 H new ATOM 0 HA GLN A 11 6.076 5.461 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.514 3.733 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.198 4.538 -4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.116 6.311 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.580 5.723 -6.763 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.443 5.874 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.756 4.275 -8.762 1.00 0.00 H new ATOM 180 N THR A 12 4.566 7.700 -3.069 1.00 0.00 N ATOM 181 CA THR A 12 4.218 9.152 -3.071 1.00 0.00 C ATOM 182 C THR A 12 2.899 9.406 -3.810 1.00 0.00 C ATOM 183 O THR A 12 2.541 8.703 -4.734 1.00 0.00 O ATOM 184 CB THR A 12 5.343 9.917 -3.767 1.00 0.00 C ATOM 185 OG1 THR A 12 5.160 9.856 -5.174 1.00 0.00 O ATOM 186 CG2 THR A 12 6.684 9.289 -3.395 1.00 0.00 C ATOM 0 H THR A 12 4.684 7.284 -2.145 1.00 0.00 H new ATOM 0 HA THR A 12 4.098 9.489 -2.041 1.00 0.00 H new ATOM 0 HB THR A 12 5.329 10.959 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.027 8.924 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.490 9.832 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.822 9.339 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.699 8.247 -3.715 1.00 0.00 H new ATOM 194 N CYS A 13 2.188 10.428 -3.408 1.00 0.00 N ATOM 195 CA CYS A 13 0.896 10.774 -4.074 1.00 0.00 C ATOM 196 C CYS A 13 0.920 12.264 -4.437 1.00 0.00 C ATOM 197 O CYS A 13 0.226 13.060 -3.836 1.00 0.00 O ATOM 198 CB CYS A 13 -0.268 10.506 -3.109 1.00 0.00 C ATOM 199 SG CYS A 13 -1.792 11.233 -3.772 1.00 0.00 S ATOM 0 H CYS A 13 2.450 11.044 -2.639 1.00 0.00 H new ATOM 0 HA CYS A 13 0.765 10.169 -4.971 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.397 9.433 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.047 10.931 -2.130 1.00 0.00 H new ATOM 204 N PRO A 14 1.746 12.603 -5.393 1.00 0.00 N ATOM 205 CA PRO A 14 1.911 13.998 -5.842 1.00 0.00 C ATOM 206 C PRO A 14 0.731 14.442 -6.714 1.00 0.00 C ATOM 207 O PRO A 14 0.061 15.410 -6.416 1.00 0.00 O ATOM 208 CB PRO A 14 3.209 13.962 -6.653 1.00 0.00 C ATOM 209 CG PRO A 14 3.409 12.492 -7.092 1.00 0.00 C ATOM 210 CD PRO A 14 2.584 11.628 -6.121 1.00 0.00 C ATOM 0 HA PRO A 14 1.946 14.706 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.144 14.621 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.051 14.306 -6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.076 12.346 -8.120 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.463 12.217 -7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.974 10.899 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.227 11.069 -5.441 1.00 0.00 H new ATOM 218 N SER A 15 0.476 13.750 -7.790 1.00 0.00 N ATOM 219 CA SER A 15 -0.658 14.147 -8.674 1.00 0.00 C ATOM 220 C SER A 15 -1.861 13.242 -8.406 1.00 0.00 C ATOM 221 O SER A 15 -1.719 12.114 -7.974 1.00 0.00 O ATOM 222 CB SER A 15 -0.234 14.013 -10.137 1.00 0.00 C ATOM 223 OG SER A 15 1.108 13.545 -10.197 1.00 0.00 O ATOM 0 H SER A 15 1.001 12.930 -8.095 1.00 0.00 H new ATOM 0 HA SER A 15 -0.932 15.181 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.896 13.321 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.318 14.975 -10.642 1.00 0.00 H new ATOM 0 HG SER A 15 1.382 13.456 -11.134 1.00 0.00 H new ATOM 229 N GLY A 16 -3.046 13.728 -8.657 1.00 0.00 N ATOM 230 CA GLY A 16 -4.260 12.898 -8.416 1.00 0.00 C ATOM 231 C GLY A 16 -4.868 13.266 -7.061 1.00 0.00 C ATOM 232 O GLY A 16 -4.770 14.391 -6.611 1.00 0.00 O ATOM 0 H GLY A 16 -3.226 14.665 -9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.989 13.061 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.000 11.840 -8.435 1.00 0.00 H new ATOM 236 N GLN A 17 -5.492 12.327 -6.406 1.00 0.00 N ATOM 237 CA GLN A 17 -6.102 12.624 -5.080 1.00 0.00 C ATOM 238 C GLN A 17 -4.989 12.798 -4.043 1.00 0.00 C ATOM 239 O GLN A 17 -3.836 12.972 -4.383 1.00 0.00 O ATOM 240 CB GLN A 17 -7.015 11.465 -4.672 1.00 0.00 C ATOM 241 CG GLN A 17 -8.293 11.500 -5.513 1.00 0.00 C ATOM 242 CD GLN A 17 -9.298 12.461 -4.875 1.00 0.00 C ATOM 243 OE1 GLN A 17 -10.112 12.059 -4.068 1.00 0.00 O ATOM 244 NE2 GLN A 17 -9.276 13.724 -5.206 1.00 0.00 N ATOM 0 H GLN A 17 -5.606 11.367 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.689 13.540 -5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.500 10.515 -4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.262 11.538 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.063 11.819 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.723 10.501 -5.582 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.593 14.062 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.942 14.373 -4.787 1.00 0.00 H new ATOM 253 N GLU A 18 -5.322 12.756 -2.781 1.00 0.00 N ATOM 254 CA GLU A 18 -4.277 12.921 -1.733 1.00 0.00 C ATOM 255 C GLU A 18 -4.351 11.752 -0.750 1.00 0.00 C ATOM 256 O GLU A 18 -4.031 11.886 0.414 1.00 0.00 O ATOM 257 CB GLU A 18 -4.512 14.234 -0.982 1.00 0.00 C ATOM 258 CG GLU A 18 -4.525 15.394 -1.979 1.00 0.00 C ATOM 259 CD GLU A 18 -3.982 16.654 -1.303 1.00 0.00 C ATOM 260 OE1 GLU A 18 -4.471 16.988 -0.236 1.00 0.00 O ATOM 261 OE2 GLU A 18 -3.086 17.263 -1.863 1.00 0.00 O ATOM 0 H GLU A 18 -6.270 12.615 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.293 12.940 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.458 14.193 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.728 14.387 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.919 15.146 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.540 15.569 -2.337 1.00 0.00 H new ATOM 268 N ILE A 19 -4.770 10.605 -1.209 1.00 0.00 N ATOM 269 CA ILE A 19 -4.867 9.427 -0.307 1.00 0.00 C ATOM 270 C ILE A 19 -3.689 8.499 -0.565 1.00 0.00 C ATOM 271 O ILE A 19 -3.026 8.575 -1.579 1.00 0.00 O ATOM 272 CB ILE A 19 -6.170 8.680 -0.592 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.323 9.701 -0.719 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.443 7.670 0.533 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.236 9.675 0.515 1.00 0.00 C ATOM 0 H ILE A 19 -5.050 10.434 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.853 9.757 0.732 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.090 8.129 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.911 10.702 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.909 9.481 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.372 7.139 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.621 6.956 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.529 8.198 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.036 10.405 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.667 8.680 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.654 9.921 1.403 1.00 0.00 H new ATOM 287 N CYS A 20 -3.433 7.620 0.348 1.00 0.00 N ATOM 288 CA CYS A 20 -2.306 6.666 0.168 1.00 0.00 C ATOM 289 C CYS A 20 -2.835 5.246 0.365 1.00 0.00 C ATOM 290 O CYS A 20 -3.223 4.865 1.447 1.00 0.00 O ATOM 291 CB CYS A 20 -1.203 6.960 1.196 1.00 0.00 C ATOM 292 SG CYS A 20 0.421 6.539 0.500 1.00 0.00 S ATOM 0 H CYS A 20 -3.955 7.516 1.218 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.886 6.771 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.226 8.013 1.476 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.379 6.385 2.105 1.00 0.00 H new ATOM 297 N TYR A 21 -2.861 4.446 -0.661 1.00 0.00 N ATOM 298 CA TYR A 21 -3.379 3.067 -0.469 1.00 0.00 C ATOM 299 C TYR A 21 -2.198 2.134 -0.259 1.00 0.00 C ATOM 300 O TYR A 21 -1.082 2.439 -0.630 1.00 0.00 O ATOM 301 CB TYR A 21 -4.210 2.626 -1.686 1.00 0.00 C ATOM 302 CG TYR A 21 -3.312 2.164 -2.812 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.641 0.936 -2.724 1.00 0.00 C ATOM 304 CD2 TYR A 21 -3.159 2.963 -3.950 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.816 0.512 -3.773 1.00 0.00 C ATOM 306 CE2 TYR A 21 -2.335 2.538 -5.001 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.664 1.312 -4.911 1.00 0.00 C ATOM 308 OH TYR A 21 -0.853 0.893 -5.946 1.00 0.00 O ATOM 0 H TYR A 21 -2.553 4.680 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.032 3.036 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.884 1.819 -1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.831 3.454 -2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.760 0.317 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.676 3.908 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.297 -0.433 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.218 3.155 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.859 1.565 -6.659 1.00 0.00 H new ATOM 318 N VAL A 22 -2.422 1.008 0.346 1.00 0.00 N ATOM 319 CA VAL A 22 -1.291 0.082 0.587 1.00 0.00 C ATOM 320 C VAL A 22 -1.626 -1.300 0.017 1.00 0.00 C ATOM 321 O VAL A 22 -2.493 -1.989 0.511 1.00 0.00 O ATOM 322 CB VAL A 22 -1.037 -0.010 2.097 1.00 0.00 C ATOM 323 CG1 VAL A 22 -0.993 1.401 2.701 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.162 -0.805 2.757 1.00 0.00 C ATOM 0 H VAL A 22 -3.331 0.690 0.682 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.393 0.453 0.093 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.084 -0.510 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.812 1.332 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.191 1.972 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.945 1.902 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.981 -0.870 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.114 -0.305 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.195 -1.809 2.333 1.00 0.00 H new ATOM 334 N LYS A 23 -0.945 -1.706 -1.025 1.00 0.00 N ATOM 335 CA LYS A 23 -1.226 -3.042 -1.629 1.00 0.00 C ATOM 336 C LYS A 23 -0.129 -4.018 -1.214 1.00 0.00 C ATOM 337 O LYS A 23 1.043 -3.705 -1.277 1.00 0.00 O ATOM 338 CB LYS A 23 -1.238 -2.928 -3.155 1.00 0.00 C ATOM 339 CG LYS A 23 -2.657 -2.634 -3.641 1.00 0.00 C ATOM 340 CD LYS A 23 -2.798 -3.074 -5.099 1.00 0.00 C ATOM 341 CE LYS A 23 -2.243 -1.982 -6.016 1.00 0.00 C ATOM 342 NZ LYS A 23 -1.324 -2.593 -7.017 1.00 0.00 N ATOM 0 H LYS A 23 -0.208 -1.170 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.196 -3.398 -1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.563 -2.135 -3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.876 -3.854 -3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.382 -3.160 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.871 -1.569 -3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.261 -4.008 -5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.846 -3.263 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.060 -1.468 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.712 -1.234 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.947 -1.851 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.538 -3.064 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.845 -3.291 -7.586 1.00 0.00 H new ATOM 356 N SER A 24 -0.488 -5.198 -0.787 1.00 0.00 N ATOM 357 CA SER A 24 0.562 -6.164 -0.374 1.00 0.00 C ATOM 358 C SER A 24 0.327 -7.525 -1.034 1.00 0.00 C ATOM 359 O SER A 24 -0.557 -8.268 -0.657 1.00 0.00 O ATOM 360 CB SER A 24 0.539 -6.326 1.147 1.00 0.00 C ATOM 361 OG SER A 24 -0.583 -5.631 1.677 1.00 0.00 O ATOM 0 H SER A 24 -1.449 -5.529 -0.708 1.00 0.00 H new ATOM 0 HA SER A 24 1.533 -5.782 -0.690 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.485 -7.382 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.460 -5.936 1.580 1.00 0.00 H new ATOM 0 HG SER A 24 -1.359 -5.770 1.095 1.00 0.00 H new ATOM 367 N TRP A 25 1.116 -7.857 -2.018 1.00 0.00 N ATOM 368 CA TRP A 25 0.939 -9.177 -2.699 1.00 0.00 C ATOM 369 C TRP A 25 2.301 -9.842 -2.922 1.00 0.00 C ATOM 370 O TRP A 25 3.317 -9.184 -3.035 1.00 0.00 O ATOM 371 CB TRP A 25 0.291 -8.946 -4.054 1.00 0.00 C ATOM 372 CG TRP A 25 1.235 -8.164 -4.889 1.00 0.00 C ATOM 373 CD1 TRP A 25 2.050 -8.656 -5.844 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.489 -6.755 -4.814 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.772 -7.606 -6.391 1.00 0.00 N ATOM 376 CE2 TRP A 25 2.458 -6.408 -5.779 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.957 -5.754 -4.005 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.885 -5.089 -5.933 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.376 -4.441 -4.142 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.342 -4.096 -5.106 1.00 0.00 C ATOM 0 H TRP A 25 1.873 -7.277 -2.381 1.00 0.00 H new ATOM 0 HA TRP A 25 0.317 -9.820 -2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.059 -9.898 -4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.650 -8.409 -3.939 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.127 -9.693 -6.134 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.448 -7.705 -7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.211 -6.004 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 3.624 -4.836 -6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.958 -3.676 -3.504 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.664 -3.070 -5.208 1.00 0.00 H new ATOM 391 N CYS A 26 2.324 -11.142 -3.005 1.00 0.00 N ATOM 392 CA CYS A 26 3.611 -11.856 -3.236 1.00 0.00 C ATOM 393 C CYS A 26 3.380 -13.006 -4.217 1.00 0.00 C ATOM 394 O CYS A 26 2.407 -13.033 -4.944 1.00 0.00 O ATOM 395 CB CYS A 26 4.153 -12.384 -1.894 1.00 0.00 C ATOM 396 SG CYS A 26 3.394 -13.981 -1.478 1.00 0.00 S ATOM 0 H CYS A 26 1.504 -11.744 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 26 4.346 -11.174 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.236 -12.495 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.948 -11.662 -1.104 1.00 0.00 H new ATOM 401 N ASN A 27 4.266 -13.955 -4.235 1.00 0.00 N ATOM 402 CA ASN A 27 4.106 -15.110 -5.161 1.00 0.00 C ATOM 403 C ASN A 27 3.754 -16.358 -4.349 1.00 0.00 C ATOM 404 O ASN A 27 3.564 -16.296 -3.150 1.00 0.00 O ATOM 405 CB ASN A 27 5.415 -15.343 -5.919 1.00 0.00 C ATOM 406 CG ASN A 27 5.596 -14.247 -6.970 1.00 0.00 C ATOM 407 OD1 ASN A 27 5.382 -13.082 -6.694 1.00 0.00 O ATOM 408 ND2 ASN A 27 5.983 -14.571 -8.174 1.00 0.00 N ATOM 0 H ASN A 27 5.099 -13.984 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 27 3.310 -14.901 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.256 -15.339 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.402 -16.322 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.106 -13.847 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.163 -15.548 -8.406 1.00 0.00 H new ATOM 415 N ALA A 28 3.657 -17.491 -4.989 1.00 0.00 N ATOM 416 CA ALA A 28 3.308 -18.736 -4.246 1.00 0.00 C ATOM 417 C ALA A 28 4.521 -19.246 -3.479 1.00 0.00 C ATOM 418 O ALA A 28 4.476 -20.275 -2.834 1.00 0.00 O ATOM 419 CB ALA A 28 2.837 -19.806 -5.233 1.00 0.00 C ATOM 0 H ALA A 28 3.804 -17.609 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 28 2.509 -18.516 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.582 -20.716 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.959 -19.445 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.634 -20.020 -5.945 1.00 0.00 H new ATOM 425 N TRP A 29 5.610 -18.546 -3.557 1.00 0.00 N ATOM 426 CA TRP A 29 6.836 -18.988 -2.855 1.00 0.00 C ATOM 427 C TRP A 29 7.543 -17.776 -2.246 1.00 0.00 C ATOM 428 O TRP A 29 8.744 -17.772 -2.064 1.00 0.00 O ATOM 429 CB TRP A 29 7.757 -19.664 -3.855 1.00 0.00 C ATOM 430 CG TRP A 29 7.080 -20.855 -4.445 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.958 -20.851 -5.207 1.00 0.00 C ATOM 432 CD2 TRP A 29 7.486 -22.229 -4.324 1.00 0.00 C ATOM 433 NE1 TRP A 29 5.657 -22.158 -5.554 1.00 0.00 N ATOM 434 CE2 TRP A 29 6.579 -23.046 -5.031 1.00 0.00 C ATOM 435 CE3 TRP A 29 8.556 -22.824 -3.665 1.00 0.00 C ATOM 436 CZ2 TRP A 29 6.740 -24.433 -5.079 1.00 0.00 C ATOM 437 CZ3 TRP A 29 8.733 -24.218 -3.703 1.00 0.00 C ATOM 438 CH2 TRP A 29 7.822 -25.023 -4.411 1.00 0.00 C ATOM 0 H TRP A 29 5.704 -17.677 -4.083 1.00 0.00 H new ATOM 0 HA TRP A 29 6.576 -19.687 -2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.030 -18.962 -4.643 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.682 -19.967 -3.364 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.394 -19.976 -5.495 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.856 -22.431 -6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.257 -22.210 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 6.038 -25.045 -5.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.568 -24.671 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 29 7.956 -26.094 -4.440 1.00 0.00 H new ATOM 449 N CYS A 30 6.808 -16.741 -1.938 1.00 0.00 N ATOM 450 CA CYS A 30 7.434 -15.519 -1.347 1.00 0.00 C ATOM 451 C CYS A 30 7.981 -15.780 0.059 1.00 0.00 C ATOM 452 O CYS A 30 8.365 -14.850 0.733 1.00 0.00 O ATOM 453 CB CYS A 30 6.408 -14.394 -1.260 1.00 0.00 C ATOM 454 SG CYS A 30 4.861 -15.033 -0.565 1.00 0.00 S ATOM 0 H CYS A 30 5.798 -16.688 -2.070 1.00 0.00 H new ATOM 0 HA CYS A 30 8.260 -15.237 -2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.792 -13.586 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.228 -13.975 -2.250 1.00 0.00 H new ATOM 459 N SER A 31 8.015 -17.009 0.519 1.00 0.00 N ATOM 460 CA SER A 31 8.543 -17.277 1.892 1.00 0.00 C ATOM 461 C SER A 31 9.781 -16.412 2.123 1.00 0.00 C ATOM 462 O SER A 31 10.883 -16.773 1.762 1.00 0.00 O ATOM 463 CB SER A 31 8.919 -18.754 2.015 1.00 0.00 C ATOM 464 OG SER A 31 9.271 -19.037 3.363 1.00 0.00 O ATOM 0 H SER A 31 7.702 -17.832 0.005 1.00 0.00 H new ATOM 0 HA SER A 31 7.782 -17.038 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.083 -19.381 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.753 -18.985 1.353 1.00 0.00 H new ATOM 0 HG SER A 31 9.511 -19.983 3.447 1.00 0.00 H new ATOM 470 N SER A 32 9.593 -15.255 2.697 1.00 0.00 N ATOM 471 CA SER A 32 10.736 -14.333 2.927 1.00 0.00 C ATOM 472 C SER A 32 11.634 -14.325 1.701 1.00 0.00 C ATOM 473 O SER A 32 12.694 -14.917 1.679 1.00 0.00 O ATOM 474 CB SER A 32 11.541 -14.778 4.132 1.00 0.00 C ATOM 475 OG SER A 32 10.703 -15.501 5.024 1.00 0.00 O ATOM 0 H SER A 32 8.689 -14.909 3.018 1.00 0.00 H new ATOM 0 HA SER A 32 10.347 -13.331 3.111 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.376 -15.403 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.966 -13.911 4.638 1.00 0.00 H new ATOM 0 HG SER A 32 11.225 -15.790 5.802 1.00 0.00 H new ATOM 481 N ARG A 33 11.208 -13.650 0.687 1.00 0.00 N ATOM 482 CA ARG A 33 12.020 -13.577 -0.562 1.00 0.00 C ATOM 483 C ARG A 33 12.037 -12.134 -1.084 1.00 0.00 C ATOM 484 O ARG A 33 12.744 -11.291 -0.568 1.00 0.00 O ATOM 485 CB ARG A 33 11.422 -14.509 -1.618 1.00 0.00 C ATOM 486 CG ARG A 33 12.229 -14.394 -2.912 1.00 0.00 C ATOM 487 CD ARG A 33 11.323 -14.686 -4.109 1.00 0.00 C ATOM 488 NE ARG A 33 12.102 -15.406 -5.156 1.00 0.00 N ATOM 489 CZ ARG A 33 11.970 -15.076 -6.411 1.00 0.00 C ATOM 490 NH1 ARG A 33 12.008 -13.820 -6.764 1.00 0.00 N ATOM 491 NH2 ARG A 33 11.799 -16.002 -7.315 1.00 0.00 N ATOM 0 H ARG A 33 10.326 -13.138 0.660 1.00 0.00 H new ATOM 0 HA ARG A 33 13.042 -13.889 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.434 -15.538 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.380 -14.247 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.654 -13.394 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.064 -15.095 -2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.471 -15.289 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.924 -13.755 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 33 12.739 -16.157 -4.891 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.141 -13.096 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.905 -13.563 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.769 -16.984 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.696 -15.744 -8.296 1.00 0.00 H new ATOM 505 N GLY A 34 11.270 -11.838 -2.100 1.00 0.00 N ATOM 506 CA GLY A 34 11.255 -10.449 -2.641 1.00 0.00 C ATOM 507 C GLY A 34 9.812 -9.951 -2.716 1.00 0.00 C ATOM 508 O GLY A 34 9.334 -9.549 -3.759 1.00 0.00 O ATOM 0 H GLY A 34 10.655 -12.497 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.846 -9.792 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.711 -10.427 -3.631 1.00 0.00 H new ATOM 512 N LYS A 35 9.111 -9.978 -1.616 1.00 0.00 N ATOM 513 CA LYS A 35 7.698 -9.511 -1.619 1.00 0.00 C ATOM 514 C LYS A 35 7.594 -8.193 -2.388 1.00 0.00 C ATOM 515 O LYS A 35 8.405 -7.302 -2.228 1.00 0.00 O ATOM 516 CB LYS A 35 7.230 -9.293 -0.177 1.00 0.00 C ATOM 517 CG LYS A 35 7.460 -10.567 0.637 1.00 0.00 C ATOM 518 CD LYS A 35 6.421 -10.655 1.757 1.00 0.00 C ATOM 519 CE LYS A 35 6.867 -9.793 2.940 1.00 0.00 C ATOM 520 NZ LYS A 35 7.195 -10.671 4.098 1.00 0.00 N ATOM 0 H LYS A 35 9.458 -10.304 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 35 7.071 -10.262 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.774 -8.461 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.173 -9.027 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.388 -11.442 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.465 -10.565 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.450 -10.317 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.300 -11.691 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.737 -9.198 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.077 -9.094 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.498 -10.086 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.354 -11.220 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.963 -11.321 3.834 1.00 0.00 H new ATOM 534 N VAL A 36 6.595 -8.057 -3.216 1.00 0.00 N ATOM 535 CA VAL A 36 6.429 -6.790 -3.988 1.00 0.00 C ATOM 536 C VAL A 36 5.317 -5.976 -3.333 1.00 0.00 C ATOM 537 O VAL A 36 4.257 -5.788 -3.893 1.00 0.00 O ATOM 538 CB VAL A 36 6.047 -7.094 -5.443 1.00 0.00 C ATOM 539 CG1 VAL A 36 6.862 -6.200 -6.379 1.00 0.00 C ATOM 540 CG2 VAL A 36 6.335 -8.564 -5.770 1.00 0.00 C ATOM 0 H VAL A 36 5.885 -8.768 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 36 7.367 -6.234 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 36 4.983 -6.901 -5.578 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.592 -6.414 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.651 -5.154 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.925 -6.394 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.060 -8.767 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.397 -8.766 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.753 -9.205 -5.107 1.00 0.00 H new ATOM 550 N LEU A 37 5.540 -5.520 -2.134 1.00 0.00 N ATOM 551 CA LEU A 37 4.498 -4.752 -1.420 1.00 0.00 C ATOM 552 C LEU A 37 4.843 -3.262 -1.414 1.00 0.00 C ATOM 553 O LEU A 37 5.841 -2.852 -0.865 1.00 0.00 O ATOM 554 CB LEU A 37 4.458 -5.259 0.020 1.00 0.00 C ATOM 555 CG LEU A 37 3.789 -6.644 0.108 1.00 0.00 C ATOM 556 CD1 LEU A 37 3.894 -7.406 -1.222 1.00 0.00 C ATOM 557 CD2 LEU A 37 4.474 -7.459 1.201 1.00 0.00 C ATOM 0 H LEU A 37 6.410 -5.650 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 37 3.535 -4.883 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.472 -5.317 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.913 -4.549 0.643 1.00 0.00 H new ATOM 0 HG LEU A 37 2.733 -6.499 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.412 -8.378 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.401 -6.835 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.944 -7.546 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.006 -8.441 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.530 -7.576 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.375 -6.943 2.156 1.00 0.00 H new ATOM 569 N GLU A 38 4.015 -2.445 -2.006 1.00 0.00 N ATOM 570 CA GLU A 38 4.290 -0.981 -2.003 1.00 0.00 C ATOM 571 C GLU A 38 2.975 -0.217 -1.841 1.00 0.00 C ATOM 572 O GLU A 38 1.922 -0.671 -2.251 1.00 0.00 O ATOM 573 CB GLU A 38 4.970 -0.561 -3.307 1.00 0.00 C ATOM 574 CG GLU A 38 4.301 -1.265 -4.485 1.00 0.00 C ATOM 575 CD GLU A 38 5.293 -2.232 -5.134 1.00 0.00 C ATOM 576 OE1 GLU A 38 6.467 -1.903 -5.180 1.00 0.00 O ATOM 577 OE2 GLU A 38 4.862 -3.286 -5.573 1.00 0.00 O ATOM 0 H GLU A 38 3.163 -2.727 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 38 4.956 -0.749 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.904 0.520 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.030 -0.814 -3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.419 -1.807 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.962 -0.531 -5.216 1.00 0.00 H new ATOM 584 N PHE A 39 3.029 0.946 -1.256 1.00 0.00 N ATOM 585 CA PHE A 39 1.799 1.753 -1.073 1.00 0.00 C ATOM 586 C PHE A 39 1.932 3.022 -1.919 1.00 0.00 C ATOM 587 O PHE A 39 3.000 3.594 -2.016 1.00 0.00 O ATOM 588 CB PHE A 39 1.641 2.107 0.410 1.00 0.00 C ATOM 589 CG PHE A 39 1.882 0.869 1.251 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.629 -0.403 0.717 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.360 0.991 2.563 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.852 -1.548 1.491 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.583 -0.157 3.338 1.00 0.00 C ATOM 594 CZ PHE A 39 2.329 -1.426 2.801 1.00 0.00 C ATOM 0 H PHE A 39 3.882 1.373 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 39 0.918 1.195 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.347 2.890 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.641 2.499 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.261 -0.499 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.557 1.969 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.656 -2.526 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.951 -0.063 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.501 -2.310 3.398 1.00 0.00 H new ATOM 604 N GLY A 40 0.880 3.462 -2.557 1.00 0.00 N ATOM 605 CA GLY A 40 1.008 4.678 -3.410 1.00 0.00 C ATOM 606 C GLY A 40 -0.130 5.658 -3.145 1.00 0.00 C ATOM 607 O GLY A 40 -0.530 5.870 -2.021 1.00 0.00 O ATOM 0 H GLY A 40 -0.048 3.040 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.964 5.164 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.007 4.390 -4.461 1.00 0.00 H new ATOM 611 N CYS A 41 -0.636 6.273 -4.180 1.00 0.00 N ATOM 612 CA CYS A 41 -1.722 7.263 -4.007 1.00 0.00 C ATOM 613 C CYS A 41 -3.058 6.637 -4.351 1.00 0.00 C ATOM 614 O CYS A 41 -3.150 5.630 -5.023 1.00 0.00 O ATOM 615 CB CYS A 41 -1.474 8.448 -4.937 1.00 0.00 C ATOM 616 SG CYS A 41 -2.747 9.711 -4.699 1.00 0.00 S ATOM 0 H CYS A 41 -0.336 6.126 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 41 -1.738 7.596 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.490 8.873 -4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.475 8.112 -5.974 1.00 0.00 H new ATOM 621 N ALA A 42 -4.088 7.251 -3.886 1.00 0.00 N ATOM 622 CA ALA A 42 -5.462 6.744 -4.147 1.00 0.00 C ATOM 623 C ALA A 42 -6.483 7.828 -3.803 1.00 0.00 C ATOM 624 O ALA A 42 -6.142 8.941 -3.452 1.00 0.00 O ATOM 625 CB ALA A 42 -5.723 5.508 -3.286 1.00 0.00 C ATOM 0 H ALA A 42 -4.046 8.101 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.555 6.480 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.730 5.137 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.998 4.733 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.628 5.772 -2.233 1.00 0.00 H new ATOM 631 N ALA A 43 -7.734 7.498 -3.915 1.00 0.00 N ATOM 632 CA ALA A 43 -8.810 8.479 -3.613 1.00 0.00 C ATOM 633 C ALA A 43 -9.577 8.042 -2.359 1.00 0.00 C ATOM 634 O ALA A 43 -9.885 8.844 -1.500 1.00 0.00 O ATOM 635 CB ALA A 43 -9.772 8.550 -4.798 1.00 0.00 C ATOM 0 H ALA A 43 -8.063 6.578 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.367 9.459 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.563 9.268 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.229 8.866 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.211 7.567 -4.970 1.00 0.00 H new ATOM 641 N THR A 44 -9.890 6.779 -2.244 1.00 0.00 N ATOM 642 CA THR A 44 -10.635 6.311 -1.042 1.00 0.00 C ATOM 643 C THR A 44 -10.401 4.812 -0.842 1.00 0.00 C ATOM 644 O THR A 44 -10.236 4.066 -1.787 1.00 0.00 O ATOM 645 CB THR A 44 -12.131 6.572 -1.232 1.00 0.00 C ATOM 646 OG1 THR A 44 -12.819 6.263 -0.028 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.666 5.696 -2.366 1.00 0.00 C ATOM 0 H THR A 44 -9.663 6.056 -2.927 1.00 0.00 H new ATOM 0 HA THR A 44 -10.280 6.853 -0.166 1.00 0.00 H new ATOM 0 HB THR A 44 -12.288 7.621 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.777 6.431 -0.146 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.731 5.884 -2.499 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.138 5.933 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.511 4.646 -2.119 1.00 0.00 H new ATOM 655 N CYS A 45 -10.379 4.375 0.388 1.00 0.00 N ATOM 656 CA CYS A 45 -10.155 2.947 0.688 1.00 0.00 C ATOM 657 C CYS A 45 -10.903 2.075 -0.334 1.00 0.00 C ATOM 658 O CYS A 45 -12.030 2.373 -0.676 1.00 0.00 O ATOM 659 CB CYS A 45 -10.686 2.673 2.094 1.00 0.00 C ATOM 660 SG CYS A 45 -10.092 1.070 2.679 1.00 0.00 S ATOM 0 H CYS A 45 -10.510 4.966 1.209 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.093 2.709 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.361 3.460 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.776 2.686 2.089 1.00 0.00 H new ATOM 665 N PRO A 46 -10.264 1.022 -0.798 1.00 0.00 N ATOM 666 CA PRO A 46 -10.871 0.108 -1.785 1.00 0.00 C ATOM 667 C PRO A 46 -11.839 -0.858 -1.096 1.00 0.00 C ATOM 668 O PRO A 46 -12.074 -0.776 0.093 1.00 0.00 O ATOM 669 CB PRO A 46 -9.674 -0.653 -2.354 1.00 0.00 C ATOM 670 CG PRO A 46 -8.564 -0.562 -1.292 1.00 0.00 C ATOM 671 CD PRO A 46 -8.891 0.639 -0.398 1.00 0.00 C ATOM 0 HA PRO A 46 -11.447 0.630 -2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.934 -1.692 -2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.347 -0.216 -3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.518 -1.478 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.589 -0.437 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.842 0.375 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.187 1.456 -0.555 1.00 0.00 H new ATOM 679 N SER A 47 -12.397 -1.779 -1.836 1.00 0.00 N ATOM 680 CA SER A 47 -13.343 -2.755 -1.226 1.00 0.00 C ATOM 681 C SER A 47 -13.076 -4.151 -1.797 1.00 0.00 C ATOM 682 O SER A 47 -13.860 -5.062 -1.622 1.00 0.00 O ATOM 683 CB SER A 47 -14.779 -2.340 -1.544 1.00 0.00 C ATOM 684 OG SER A 47 -15.658 -3.413 -1.233 1.00 0.00 O ATOM 0 H SER A 47 -12.238 -1.897 -2.837 1.00 0.00 H new ATOM 0 HA SER A 47 -13.201 -2.772 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.050 -1.455 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.868 -2.075 -2.598 1.00 0.00 H new ATOM 0 HG SER A 47 -15.148 -4.148 -0.833 1.00 0.00 H new ATOM 690 N VAL A 48 -11.980 -4.325 -2.486 1.00 0.00 N ATOM 691 CA VAL A 48 -11.673 -5.661 -3.071 1.00 0.00 C ATOM 692 C VAL A 48 -10.469 -6.280 -2.354 1.00 0.00 C ATOM 693 O VAL A 48 -9.400 -5.703 -2.300 1.00 0.00 O ATOM 694 CB VAL A 48 -11.364 -5.504 -4.553 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.696 -6.773 -5.088 1.00 0.00 C ATOM 696 CG2 VAL A 48 -12.664 -5.251 -5.319 1.00 0.00 C ATOM 0 H VAL A 48 -11.285 -3.601 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.535 -6.317 -2.946 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.687 -4.661 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.479 -6.650 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.767 -6.951 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.365 -7.622 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.445 -5.138 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.341 -6.093 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.134 -4.341 -4.947 1.00 0.00 H new ATOM 706 N ASN A 49 -10.634 -7.452 -1.803 1.00 0.00 N ATOM 707 CA ASN A 49 -9.518 -8.111 -1.095 1.00 0.00 C ATOM 708 C ASN A 49 -9.381 -9.555 -1.588 1.00 0.00 C ATOM 709 O ASN A 49 -9.531 -10.494 -0.831 1.00 0.00 O ATOM 710 CB ASN A 49 -9.808 -8.108 0.404 1.00 0.00 C ATOM 711 CG ASN A 49 -8.515 -8.368 1.180 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.506 -8.723 0.603 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.503 -8.205 2.474 1.00 0.00 N ATOM 0 H ASN A 49 -11.506 -7.980 -1.817 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.589 -7.575 -1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.234 -7.149 0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.547 -8.873 0.643 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.647 -8.375 3.002 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.350 -7.907 2.958 1.00 0.00 H new ATOM 720 N THR A 50 -9.091 -9.743 -2.848 1.00 0.00 N ATOM 721 CA THR A 50 -8.940 -11.128 -3.377 1.00 0.00 C ATOM 722 C THR A 50 -7.631 -11.716 -2.836 1.00 0.00 C ATOM 723 O THR A 50 -7.319 -11.566 -1.671 1.00 0.00 O ATOM 724 CB THR A 50 -8.934 -11.081 -4.911 1.00 0.00 C ATOM 725 OG1 THR A 50 -8.950 -12.403 -5.432 1.00 0.00 O ATOM 726 CG2 THR A 50 -7.688 -10.342 -5.404 1.00 0.00 C ATOM 0 H THR A 50 -8.953 -8.999 -3.532 1.00 0.00 H new ATOM 0 HA THR A 50 -9.769 -11.760 -3.057 1.00 0.00 H new ATOM 0 HB THR A 50 -9.821 -10.550 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.948 -12.369 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.690 -10.312 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.690 -9.324 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.795 -10.862 -5.057 1.00 0.00 H new ATOM 734 N GLY A 51 -6.845 -12.360 -3.660 1.00 0.00 N ATOM 735 CA GLY A 51 -5.554 -12.913 -3.164 1.00 0.00 C ATOM 736 C GLY A 51 -4.633 -11.750 -2.782 1.00 0.00 C ATOM 737 O GLY A 51 -3.566 -11.939 -2.233 1.00 0.00 O ATOM 0 H GLY A 51 -7.041 -12.525 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.726 -13.557 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.086 -13.528 -3.933 1.00 0.00 H new ATOM 741 N THR A 52 -5.046 -10.542 -3.072 1.00 0.00 N ATOM 742 CA THR A 52 -4.222 -9.354 -2.739 1.00 0.00 C ATOM 743 C THR A 52 -4.708 -8.762 -1.417 1.00 0.00 C ATOM 744 O THR A 52 -5.883 -8.789 -1.111 1.00 0.00 O ATOM 745 CB THR A 52 -4.403 -8.311 -3.845 1.00 0.00 C ATOM 746 OG1 THR A 52 -3.725 -8.742 -5.017 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.835 -6.967 -3.386 1.00 0.00 C ATOM 0 H THR A 52 -5.932 -10.332 -3.532 1.00 0.00 H new ATOM 0 HA THR A 52 -3.173 -9.637 -2.653 1.00 0.00 H new ATOM 0 HB THR A 52 -5.465 -8.195 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.842 -8.076 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.966 -6.228 -4.176 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.360 -6.637 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.773 -7.077 -3.165 1.00 0.00 H new ATOM 755 N GLU A 53 -3.819 -8.224 -0.628 1.00 0.00 N ATOM 756 CA GLU A 53 -4.249 -7.633 0.664 1.00 0.00 C ATOM 757 C GLU A 53 -3.981 -6.128 0.647 1.00 0.00 C ATOM 758 O GLU A 53 -2.932 -5.668 1.051 1.00 0.00 O ATOM 759 CB GLU A 53 -3.478 -8.285 1.815 1.00 0.00 C ATOM 760 CG GLU A 53 -1.986 -7.985 1.671 1.00 0.00 C ATOM 761 CD GLU A 53 -1.207 -9.300 1.600 1.00 0.00 C ATOM 762 OE1 GLU A 53 -1.769 -10.272 1.123 1.00 0.00 O ATOM 763 OE2 GLU A 53 -0.064 -9.312 2.023 1.00 0.00 O ATOM 0 H GLU A 53 -2.819 -8.170 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.315 -7.810 0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.844 -7.908 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.644 -9.362 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.808 -7.395 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.640 -7.390 2.516 1.00 0.00 H new ATOM 770 N ILE A 54 -4.926 -5.355 0.186 1.00 0.00 N ATOM 771 CA ILE A 54 -4.724 -3.881 0.152 1.00 0.00 C ATOM 772 C ILE A 54 -5.499 -3.253 1.312 1.00 0.00 C ATOM 773 O ILE A 54 -6.339 -3.885 1.920 1.00 0.00 O ATOM 774 CB ILE A 54 -5.212 -3.315 -1.192 1.00 0.00 C ATOM 775 CG1 ILE A 54 -4.559 -1.954 -1.445 1.00 0.00 C ATOM 776 CG2 ILE A 54 -6.730 -3.142 -1.187 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.039 -1.403 -2.789 1.00 0.00 C ATOM 0 H ILE A 54 -5.826 -5.680 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.664 -3.647 0.255 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.936 -4.016 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.814 -1.261 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.474 -2.054 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.054 -2.740 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.206 -4.108 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.015 -2.454 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.575 -0.434 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.762 -2.094 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.123 -1.289 -2.769 1.00 0.00 H new ATOM 789 N LYS A 55 -5.229 -2.020 1.626 1.00 0.00 N ATOM 790 CA LYS A 55 -5.958 -1.375 2.750 1.00 0.00 C ATOM 791 C LYS A 55 -5.987 0.139 2.548 1.00 0.00 C ATOM 792 O LYS A 55 -5.520 0.657 1.550 1.00 0.00 O ATOM 793 CB LYS A 55 -5.251 -1.699 4.066 1.00 0.00 C ATOM 794 CG LYS A 55 -5.815 -2.999 4.640 1.00 0.00 C ATOM 795 CD LYS A 55 -6.489 -2.714 5.985 1.00 0.00 C ATOM 796 CE LYS A 55 -7.925 -2.243 5.747 1.00 0.00 C ATOM 797 NZ LYS A 55 -8.872 -3.184 6.408 1.00 0.00 N ATOM 0 H LYS A 55 -4.539 -1.433 1.157 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.980 -1.753 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.178 -1.797 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.391 -0.884 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.534 -3.434 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.016 -3.729 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.487 -3.612 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.931 -1.952 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.059 -1.237 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.131 -2.194 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.848 -2.864 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.749 -4.137 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.680 -3.209 7.430 1.00 0.00 H new ATOM 811 N CYS A 56 -6.523 0.847 3.503 1.00 0.00 N ATOM 812 CA CYS A 56 -6.587 2.331 3.394 1.00 0.00 C ATOM 813 C CYS A 56 -5.483 2.923 4.267 1.00 0.00 C ATOM 814 O CYS A 56 -5.374 2.619 5.438 1.00 0.00 O ATOM 815 CB CYS A 56 -7.955 2.871 3.865 1.00 0.00 C ATOM 816 SG CYS A 56 -9.067 1.519 4.360 1.00 0.00 S ATOM 0 H CYS A 56 -6.921 0.459 4.358 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.455 2.616 2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.810 3.551 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.416 3.448 3.063 1.00 0.00 H new ATOM 821 N CYS A 57 -4.648 3.745 3.701 1.00 0.00 N ATOM 822 CA CYS A 57 -3.534 4.330 4.493 1.00 0.00 C ATOM 823 C CYS A 57 -3.373 5.812 4.167 1.00 0.00 C ATOM 824 O CYS A 57 -3.739 6.281 3.107 1.00 0.00 O ATOM 825 CB CYS A 57 -2.244 3.587 4.140 1.00 0.00 C ATOM 826 SG CYS A 57 -0.861 4.292 5.063 1.00 0.00 S ATOM 0 H CYS A 57 -4.688 4.037 2.725 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.751 4.230 5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.348 2.528 4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.053 3.659 3.069 1.00 0.00 H new ATOM 831 N SER A 58 -2.827 6.557 5.076 1.00 0.00 N ATOM 832 CA SER A 58 -2.634 8.006 4.813 1.00 0.00 C ATOM 833 C SER A 58 -1.336 8.493 5.445 1.00 0.00 C ATOM 834 O SER A 58 -0.902 9.604 5.214 1.00 0.00 O ATOM 835 CB SER A 58 -3.814 8.795 5.379 1.00 0.00 C ATOM 836 OG SER A 58 -3.740 10.140 4.926 1.00 0.00 O ATOM 0 H SER A 58 -2.506 6.230 5.987 1.00 0.00 H new ATOM 0 HA SER A 58 -2.578 8.162 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.754 8.343 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.798 8.765 6.468 1.00 0.00 H new ATOM 0 HG SER A 58 -2.806 10.436 4.930 1.00 0.00 H new ATOM 842 N ALA A 59 -0.708 7.678 6.232 1.00 0.00 N ATOM 843 CA ALA A 59 0.568 8.107 6.867 1.00 0.00 C ATOM 844 C ALA A 59 1.291 6.880 7.425 1.00 0.00 C ATOM 845 O ALA A 59 1.717 6.012 6.690 1.00 0.00 O ATOM 846 CB ALA A 59 0.259 9.101 7.986 1.00 0.00 C ATOM 0 H ALA A 59 -1.018 6.735 6.466 1.00 0.00 H new ATOM 0 HA ALA A 59 1.212 8.590 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.189 9.420 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.254 9.969 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.379 8.624 8.730 1.00 0.00 H new ATOM 852 N ASP A 60 1.404 6.784 8.724 1.00 0.00 N ATOM 853 CA ASP A 60 2.062 5.600 9.330 1.00 0.00 C ATOM 854 C ASP A 60 0.965 4.614 9.706 1.00 0.00 C ATOM 855 O ASP A 60 1.050 3.900 10.686 1.00 0.00 O ATOM 856 CB ASP A 60 2.839 6.018 10.582 1.00 0.00 C ATOM 857 CG ASP A 60 3.426 4.778 11.258 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.229 4.109 10.628 1.00 0.00 O ATOM 859 OD2 ASP A 60 3.063 4.519 12.393 1.00 0.00 O ATOM 0 H ASP A 60 1.066 7.479 9.389 1.00 0.00 H new ATOM 0 HA ASP A 60 2.764 5.148 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.637 6.710 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.180 6.544 11.273 1.00 0.00 H new ATOM 864 N LYS A 61 -0.072 4.585 8.919 1.00 0.00 N ATOM 865 CA LYS A 61 -1.203 3.671 9.193 1.00 0.00 C ATOM 866 C LYS A 61 -1.217 2.562 8.144 1.00 0.00 C ATOM 867 O LYS A 61 -2.041 1.668 8.180 1.00 0.00 O ATOM 868 CB LYS A 61 -2.514 4.448 9.126 1.00 0.00 C ATOM 869 CG LYS A 61 -3.691 3.493 9.339 1.00 0.00 C ATOM 870 CD LYS A 61 -3.377 2.510 10.472 1.00 0.00 C ATOM 871 CE LYS A 61 -3.231 3.276 11.787 1.00 0.00 C ATOM 872 NZ LYS A 61 -4.561 3.811 12.202 1.00 0.00 N ATOM 0 H LYS A 61 -0.181 5.165 8.087 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.090 3.237 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.524 5.229 9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.605 4.943 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.590 4.060 9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.896 2.945 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.173 1.770 10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.458 1.966 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.834 2.619 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.520 4.093 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.541 4.042 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.776 4.669 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.294 3.095 12.024 1.00 0.00 H new ATOM 886 N CYS A 62 -0.316 2.616 7.205 1.00 0.00 N ATOM 887 CA CYS A 62 -0.284 1.570 6.151 1.00 0.00 C ATOM 888 C CYS A 62 -0.153 0.200 6.819 1.00 0.00 C ATOM 889 O CYS A 62 -0.968 -0.680 6.627 1.00 0.00 O ATOM 890 CB CYS A 62 0.918 1.790 5.226 1.00 0.00 C ATOM 891 SG CYS A 62 0.764 3.355 4.310 1.00 0.00 S ATOM 0 H CYS A 62 0.399 3.339 7.123 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.201 1.622 5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.836 1.798 5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.997 0.960 4.523 1.00 0.00 H new ATOM 896 N ASN A 63 0.875 0.016 7.606 1.00 0.00 N ATOM 897 CA ASN A 63 1.072 -1.290 8.291 1.00 0.00 C ATOM 898 C ASN A 63 0.750 -1.141 9.780 1.00 0.00 C ATOM 899 O ASN A 63 1.623 -0.907 10.592 1.00 0.00 O ATOM 900 CB ASN A 63 2.525 -1.738 8.130 1.00 0.00 C ATOM 901 CG ASN A 63 3.455 -0.550 8.382 1.00 0.00 C ATOM 902 OD1 ASN A 63 3.719 0.232 7.490 1.00 0.00 O ATOM 903 ND2 ASN A 63 3.963 -0.375 9.573 1.00 0.00 N ATOM 0 H ASN A 63 1.588 0.719 7.803 1.00 0.00 H new ATOM 0 HA ASN A 63 0.410 -2.033 7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.748 -2.543 8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.686 -2.133 7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.580 0.417 9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.742 -1.030 10.323 1.00 0.00 H new ATOM 910 N THR A 64 -0.495 -1.277 10.146 1.00 0.00 N ATOM 911 CA THR A 64 -0.865 -1.144 11.582 1.00 0.00 C ATOM 912 C THR A 64 -2.195 -1.853 11.837 1.00 0.00 C ATOM 913 O THR A 64 -2.932 -2.154 10.918 1.00 0.00 O ATOM 914 CB THR A 64 -0.994 0.330 11.943 1.00 0.00 C ATOM 915 OG1 THR A 64 -0.620 1.129 10.829 1.00 0.00 O ATOM 916 CG2 THR A 64 -0.071 0.619 13.121 1.00 0.00 C ATOM 0 H THR A 64 -1.270 -1.474 9.513 1.00 0.00 H new ATOM 0 HA THR A 64 -0.089 -1.599 12.198 1.00 0.00 H new ATOM 0 HB THR A 64 -2.024 0.563 12.211 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.138 1.699 11.075 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.149 1.671 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.361 0.000 13.970 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.958 0.392 12.841 1.00 0.00 H new