USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.419 X(o=0.84,f=1) USER MOD Set 1.2: A 76 THR OG1 : rot 85:sc= 1.26 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 2.33 (180deg=2.06) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 2.38 (180deg=1.95) USER MOD Single : A 29 GLN : amide:sc= 0.358 X(o=0.36,f=-0.073) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -148:sc= 0.942 USER MOD Single : A 35 HIS : no HD1:sc= -0.853 K(o=-0.85,f=-7.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.696) USER MOD Single : A 40 MET CE :methyl 160:sc= -0.69 (180deg=-1.52) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -138:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 1.22 (180deg=1.05) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.22) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 1.87 (180deg=1.07) USER MOD Single : A 50 SER OG : rot 87:sc= 0.825 USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0266 USER MOD Single : A 52 CYS SG : rot 72:sc= 0.551 USER MOD Single : A 53 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.8) USER MOD Single : A 55 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.78) USER MOD Single : A 59 MET CE :methyl -143:sc= -0.0128 (180deg=-0.0599) USER MOD Single : A 60 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 61 SER OG : rot -95:sc= 1.15 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 ASN : amide:sc= 0.133 K(o=0.13,f=-3.6!) USER MOD Single : A 75 HIS : no HD1:sc= 0.584 K(o=0.58,f=-5.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : B 357 ASN : amide:sc= -0.78 K(o=-0.78,f=0.68) USER MOD Single : B 358 ASN : amide:sc= 0.209 K(o=0.21,f=-4.9!) USER MOD Single : B 365 SER OG : rot 180:sc= 0.0543 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 14.625 -4.714 -1.247 1.00 10.00 N ATOM 2 CA TYR A 21 13.209 -4.334 -1.457 1.00 10.00 C ATOM 3 C TYR A 21 12.373 -4.737 -0.252 1.00 10.00 C ATOM 4 O TYR A 21 12.685 -5.715 0.428 1.00 10.00 O ATOM 5 CB TYR A 21 12.652 -5.007 -2.715 1.00 10.00 C ATOM 6 CG TYR A 21 12.971 -4.277 -4.002 1.00 10.00 C ATOM 7 CD1 TYR A 21 12.358 -3.069 -4.311 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.877 -4.802 -4.913 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.641 -2.404 -5.494 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.167 -4.144 -6.093 1.00 10.00 C ATOM 11 CZ TYR A 21 13.547 -2.947 -6.380 1.00 10.00 C ATOM 12 OH TYR A 21 13.833 -2.292 -7.561 1.00 10.00 O ATOM 0 HA TYR A 21 13.161 -3.252 -1.584 1.00 10.00 H new ATOM 0 HB2 TYR A 21 13.049 -6.020 -2.777 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.570 -5.094 -2.618 1.00 10.00 H new ATOM 0 HD1 TYR A 21 11.649 -2.641 -3.618 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.364 -5.741 -4.696 1.00 10.00 H new ATOM 0 HE1 TYR A 21 12.155 -1.467 -5.720 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.877 -4.566 -6.788 1.00 10.00 H new ATOM 0 HH TYR A 21 14.492 -2.809 -8.070 1.00 10.00 H new ATOM 22 N ILE A 22 11.312 -3.986 0.012 1.00 10.00 N ATOM 23 CA ILE A 22 10.432 -4.274 1.138 1.00 10.00 C ATOM 24 C ILE A 22 9.056 -4.685 0.635 1.00 10.00 C ATOM 25 O ILE A 22 8.442 -3.975 -0.156 1.00 10.00 O ATOM 26 CB ILE A 22 10.298 -3.057 2.085 1.00 10.00 C ATOM 27 CG1 ILE A 22 11.657 -2.715 2.712 1.00 10.00 C ATOM 28 CG2 ILE A 22 9.259 -3.330 3.169 1.00 10.00 C ATOM 29 CD1 ILE A 22 12.234 -3.820 3.575 1.00 10.00 C ATOM 0 H ILE A 22 11.039 -3.172 -0.539 1.00 10.00 H new ATOM 0 HA ILE A 22 10.877 -5.094 1.702 1.00 10.00 H new ATOM 0 HB ILE A 22 9.962 -2.201 1.500 1.00 10.00 H new ATOM 0 HG12 ILE A 22 12.365 -2.483 1.916 1.00 10.00 H new ATOM 0 HG13 ILE A 22 11.550 -1.814 3.316 1.00 10.00 H new ATOM 0 HG21 ILE A 22 9.180 -2.462 3.824 1.00 10.00 H new ATOM 0 HG22 ILE A 22 8.292 -3.524 2.705 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.562 -4.199 3.753 1.00 10.00 H new ATOM 0 HD11 ILE A 22 13.194 -3.501 3.981 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.548 -4.038 4.394 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.375 -4.717 2.972 1.00 10.00 H new ATOM 41 N LYS A 23 8.589 -5.840 1.072 1.00 10.00 N ATOM 42 CA LYS A 23 7.288 -6.339 0.664 1.00 10.00 C ATOM 43 C LYS A 23 6.292 -6.244 1.816 1.00 10.00 C ATOM 44 O LYS A 23 6.524 -6.784 2.901 1.00 10.00 O ATOM 45 CB LYS A 23 7.415 -7.781 0.189 1.00 10.00 C ATOM 46 CG LYS A 23 6.174 -8.315 -0.496 1.00 10.00 C ATOM 47 CD LYS A 23 6.019 -9.801 -0.244 1.00 10.00 C ATOM 48 CE LYS A 23 5.500 -10.076 1.157 1.00 10.00 C ATOM 49 NZ LYS A 23 6.522 -10.732 2.010 1.00 10.00 N ATOM 0 H LYS A 23 9.094 -6.453 1.712 1.00 10.00 H new ATOM 0 HA LYS A 23 6.917 -5.726 -0.158 1.00 10.00 H new ATOM 0 HB2 LYS A 23 8.257 -7.853 -0.499 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.647 -8.416 1.044 1.00 10.00 H new ATOM 0 HG2 LYS A 23 5.294 -7.786 -0.130 1.00 10.00 H new ATOM 0 HG3 LYS A 23 6.235 -8.128 -1.568 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.334 -10.226 -0.977 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.980 -10.297 -0.381 1.00 10.00 H new ATOM 0 HE2 LYS A 23 5.190 -9.139 1.619 1.00 10.00 H new ATOM 0 HE3 LYS A 23 4.616 -10.710 1.098 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 6.050 -11.313 2.733 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 7.129 -11.337 1.421 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 7.104 -10.006 2.475 1.00 10.00 H new ATOM 63 N LEU A 24 5.187 -5.558 1.571 1.00 10.00 N ATOM 64 CA LEU A 24 4.159 -5.383 2.586 1.00 10.00 C ATOM 65 C LEU A 24 2.945 -6.250 2.275 1.00 10.00 C ATOM 66 O LEU A 24 2.654 -6.529 1.111 1.00 10.00 O ATOM 67 CB LEU A 24 3.740 -3.913 2.667 1.00 10.00 C ATOM 68 CG LEU A 24 4.877 -2.921 2.928 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.396 -1.493 2.731 1.00 10.00 C ATOM 70 CD2 LEU A 24 5.430 -3.101 4.332 1.00 10.00 C ATOM 0 H LEU A 24 4.978 -5.113 0.677 1.00 10.00 H new ATOM 0 HA LEU A 24 4.571 -5.690 3.547 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.250 -3.640 1.733 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.999 -3.807 3.459 1.00 10.00 H new ATOM 0 HG LEU A 24 5.675 -3.120 2.212 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.218 -0.803 2.921 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.044 -1.366 1.707 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.580 -1.285 3.423 1.00 10.00 H new ATOM 0 HD21 LEU A 24 6.237 -2.388 4.499 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.637 -2.929 5.060 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.813 -4.115 4.445 1.00 10.00 H new ATOM 82 N LYS A 25 2.246 -6.678 3.320 1.00 10.00 N ATOM 83 CA LYS A 25 1.059 -7.506 3.157 1.00 10.00 C ATOM 84 C LYS A 25 -0.188 -6.636 3.215 1.00 10.00 C ATOM 85 O LYS A 25 -0.658 -6.286 4.300 1.00 10.00 O ATOM 86 CB LYS A 25 0.987 -8.575 4.252 1.00 10.00 C ATOM 87 CG LYS A 25 2.252 -9.407 4.387 1.00 10.00 C ATOM 88 CD LYS A 25 2.442 -9.899 5.812 1.00 10.00 C ATOM 89 CE LYS A 25 1.581 -11.114 6.116 1.00 10.00 C ATOM 90 NZ LYS A 25 2.068 -12.326 5.413 1.00 10.00 N ATOM 0 H LYS A 25 2.482 -6.465 4.289 1.00 10.00 H new ATOM 0 HA LYS A 25 1.117 -8.002 2.188 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.780 -8.090 5.206 1.00 10.00 H new ATOM 0 HB3 LYS A 25 0.148 -9.239 4.043 1.00 10.00 H new ATOM 0 HG2 LYS A 25 2.203 -10.260 3.710 1.00 10.00 H new ATOM 0 HG3 LYS A 25 3.115 -8.812 4.088 1.00 10.00 H new ATOM 0 HD2 LYS A 25 3.491 -10.149 5.972 1.00 10.00 H new ATOM 0 HD3 LYS A 25 2.196 -9.097 6.508 1.00 10.00 H new ATOM 0 HE2 LYS A 25 1.575 -11.295 7.191 1.00 10.00 H new ATOM 0 HE3 LYS A 25 0.551 -10.912 5.821 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 1.553 -13.160 5.761 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 1.908 -12.222 4.391 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 3.085 -12.447 5.594 1.00 10.00 H new ATOM 104 N VAL A 26 -0.707 -6.270 2.055 1.00 10.00 N ATOM 105 CA VAL A 26 -1.899 -5.437 1.991 1.00 10.00 C ATOM 106 C VAL A 26 -3.149 -6.306 1.989 1.00 10.00 C ATOM 107 O VAL A 26 -3.411 -7.041 1.034 1.00 10.00 O ATOM 108 CB VAL A 26 -1.903 -4.525 0.745 1.00 10.00 C ATOM 109 CG1 VAL A 26 -2.916 -3.402 0.905 1.00 10.00 C ATOM 110 CG2 VAL A 26 -0.514 -3.959 0.478 1.00 10.00 C ATOM 0 H VAL A 26 -0.324 -6.535 1.147 1.00 10.00 H new ATOM 0 HA VAL A 26 -1.893 -4.798 2.874 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.192 -5.130 -0.114 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -2.903 -2.771 0.016 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -3.912 -3.826 1.034 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -2.660 -2.803 1.779 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.545 -3.320 -0.405 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.188 -3.374 1.338 1.00 10.00 H new ATOM 0 HG23 VAL A 26 0.186 -4.777 0.310 1.00 10.00 H new ATOM 120 N ILE A 27 -3.906 -6.229 3.068 1.00 10.00 N ATOM 121 CA ILE A 27 -5.124 -7.005 3.209 1.00 10.00 C ATOM 122 C ILE A 27 -6.315 -6.232 2.656 1.00 10.00 C ATOM 123 O ILE A 27 -6.667 -5.167 3.168 1.00 10.00 O ATOM 124 CB ILE A 27 -5.389 -7.371 4.686 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.136 -7.986 5.321 1.00 10.00 C ATOM 126 CG2 ILE A 27 -6.572 -8.325 4.798 1.00 10.00 C ATOM 127 CD1 ILE A 27 -3.652 -9.243 4.628 1.00 10.00 C ATOM 0 H ILE A 27 -3.696 -5.631 3.867 1.00 10.00 H new ATOM 0 HA ILE A 27 -4.994 -7.926 2.641 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.634 -6.458 5.228 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.335 -7.246 5.312 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.345 -8.216 6.366 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -6.743 -8.571 5.846 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.463 -7.850 4.387 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.358 -9.237 4.241 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -2.763 -9.618 5.135 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -4.435 -10.001 4.660 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -3.409 -9.016 3.590 1.00 10.00 H new ATOM 139 N GLY A 28 -6.922 -6.766 1.606 1.00 10.00 N ATOM 140 CA GLY A 28 -8.061 -6.112 0.997 1.00 10.00 C ATOM 141 C GLY A 28 -9.383 -6.609 1.545 1.00 10.00 C ATOM 142 O GLY A 28 -9.439 -7.640 2.221 1.00 10.00 O ATOM 0 H GLY A 28 -6.645 -7.643 1.164 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -7.987 -5.037 1.159 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -8.035 -6.275 -0.080 1.00 10.00 H new ATOM 146 N GLN A 29 -10.453 -5.880 1.240 1.00 10.00 N ATOM 147 CA GLN A 29 -11.795 -6.237 1.693 1.00 10.00 C ATOM 148 C GLN A 29 -12.257 -7.549 1.051 1.00 10.00 C ATOM 149 O GLN A 29 -13.138 -8.240 1.572 1.00 10.00 O ATOM 150 CB GLN A 29 -12.777 -5.108 1.360 1.00 10.00 C ATOM 151 CG GLN A 29 -14.213 -5.382 1.783 1.00 10.00 C ATOM 152 CD GLN A 29 -14.380 -5.450 3.288 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.692 -4.451 3.935 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.177 -6.627 3.855 1.00 10.00 N ATOM 0 H GLN A 29 -10.416 -5.031 0.676 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.768 -6.379 2.773 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.437 -4.192 1.843 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -12.755 -4.929 0.285 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -14.859 -4.600 1.385 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.543 -6.323 1.343 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.920 -7.431 3.283 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.278 -6.731 4.865 1.00 10.00 H new ATOM 163 N ASP A 30 -11.638 -7.893 -0.069 1.00 10.00 N ATOM 164 CA ASP A 30 -11.963 -9.116 -0.796 1.00 10.00 C ATOM 165 C ASP A 30 -11.208 -10.310 -0.216 1.00 10.00 C ATOM 166 O ASP A 30 -11.171 -11.384 -0.817 1.00 10.00 O ATOM 167 CB ASP A 30 -11.638 -8.954 -2.286 1.00 10.00 C ATOM 168 CG ASP A 30 -10.205 -8.527 -2.545 1.00 10.00 C ATOM 169 OD1 ASP A 30 -9.789 -7.469 -2.024 1.00 10.00 O ATOM 170 OD2 ASP A 30 -9.490 -9.234 -3.286 1.00 10.00 O ATOM 0 H ASP A 30 -10.899 -7.337 -0.500 1.00 10.00 H new ATOM 0 HA ASP A 30 -13.032 -9.302 -0.688 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -11.826 -9.898 -2.797 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -12.314 -8.217 -2.720 1.00 10.00 H new ATOM 175 N SER A 31 -10.615 -10.103 0.961 1.00 10.00 N ATOM 176 CA SER A 31 -9.864 -11.140 1.662 1.00 10.00 C ATOM 177 C SER A 31 -8.704 -11.661 0.815 1.00 10.00 C ATOM 178 O SER A 31 -8.646 -12.841 0.460 1.00 10.00 O ATOM 179 CB SER A 31 -10.804 -12.278 2.073 1.00 10.00 C ATOM 180 OG SER A 31 -11.918 -11.771 2.796 1.00 10.00 O ATOM 0 H SER A 31 -10.643 -9.210 1.453 1.00 10.00 H new ATOM 0 HA SER A 31 -9.431 -10.702 2.561 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.150 -12.809 1.186 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.264 -13.000 2.686 1.00 10.00 H new ATOM 0 HG SER A 31 -12.508 -12.511 3.049 1.00 10.00 H new ATOM 186 N SER A 32 -7.784 -10.770 0.487 1.00 10.00 N ATOM 187 CA SER A 32 -6.623 -11.128 -0.307 1.00 10.00 C ATOM 188 C SER A 32 -5.361 -10.544 0.313 1.00 10.00 C ATOM 189 O SER A 32 -5.422 -9.536 1.021 1.00 10.00 O ATOM 190 CB SER A 32 -6.799 -10.620 -1.736 1.00 10.00 C ATOM 191 OG SER A 32 -7.282 -9.286 -1.740 1.00 10.00 O ATOM 0 H SER A 32 -7.820 -9.788 0.761 1.00 10.00 H new ATOM 0 HA SER A 32 -6.526 -12.213 -0.328 1.00 10.00 H new ATOM 0 HB2 SER A 32 -5.847 -10.668 -2.264 1.00 10.00 H new ATOM 0 HB3 SER A 32 -7.494 -11.265 -2.273 1.00 10.00 H new ATOM 0 HG SER A 32 -7.854 -9.147 -2.524 1.00 10.00 H new ATOM 197 N GLU A 33 -4.231 -11.189 0.066 1.00 10.00 N ATOM 198 CA GLU A 33 -2.960 -10.727 0.590 1.00 10.00 C ATOM 199 C GLU A 33 -2.109 -10.182 -0.552 1.00 10.00 C ATOM 200 O GLU A 33 -1.365 -10.920 -1.196 1.00 10.00 O ATOM 201 CB GLU A 33 -2.227 -11.868 1.310 1.00 10.00 C ATOM 202 CG GLU A 33 -1.144 -11.389 2.265 1.00 10.00 C ATOM 203 CD GLU A 33 -0.265 -12.515 2.776 1.00 10.00 C ATOM 204 OE1 GLU A 33 0.927 -12.268 3.043 1.00 10.00 O ATOM 205 OE2 GLU A 33 -0.754 -13.654 2.922 1.00 10.00 O ATOM 0 H GLU A 33 -4.171 -12.037 -0.497 1.00 10.00 H new ATOM 0 HA GLU A 33 -3.140 -9.932 1.314 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -2.953 -12.462 1.866 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -1.779 -12.527 0.566 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -0.522 -10.651 1.759 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -1.611 -10.886 3.112 1.00 10.00 H new ATOM 212 N ILE A 34 -2.254 -8.897 -0.831 1.00 10.00 N ATOM 213 CA ILE A 34 -1.494 -8.275 -1.902 1.00 10.00 C ATOM 214 C ILE A 34 -0.054 -8.074 -1.460 1.00 10.00 C ATOM 215 O ILE A 34 0.217 -7.378 -0.481 1.00 10.00 O ATOM 216 CB ILE A 34 -2.103 -6.924 -2.342 1.00 10.00 C ATOM 217 CG1 ILE A 34 -3.515 -7.131 -2.904 1.00 10.00 C ATOM 218 CG2 ILE A 34 -1.209 -6.242 -3.371 1.00 10.00 C ATOM 219 CD1 ILE A 34 -3.565 -8.031 -4.123 1.00 10.00 C ATOM 0 H ILE A 34 -2.886 -8.269 -0.335 1.00 10.00 H new ATOM 0 HA ILE A 34 -1.529 -8.944 -2.762 1.00 10.00 H new ATOM 0 HB ILE A 34 -2.172 -6.276 -1.468 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.147 -7.556 -2.124 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -3.938 -6.161 -3.163 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -1.655 -5.293 -3.668 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.226 -6.061 -2.936 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -1.106 -6.884 -4.246 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -4.597 -8.128 -4.461 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -2.961 -7.598 -4.920 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -3.173 -9.015 -3.865 1.00 10.00 H new ATOM 231 N HIS A 35 0.861 -8.694 -2.188 1.00 10.00 N ATOM 232 CA HIS A 35 2.278 -8.617 -1.881 1.00 10.00 C ATOM 233 C HIS A 35 2.944 -7.520 -2.694 1.00 10.00 C ATOM 234 O HIS A 35 3.701 -7.787 -3.627 1.00 10.00 O ATOM 235 CB HIS A 35 2.946 -9.966 -2.156 1.00 10.00 C ATOM 236 CG HIS A 35 2.815 -10.938 -1.028 1.00 10.00 C ATOM 237 ND1 HIS A 35 3.591 -12.071 -0.960 1.00 10.00 N ATOM 238 CD2 HIS A 35 2.003 -10.892 0.053 1.00 10.00 C ATOM 239 CE1 HIS A 35 3.231 -12.686 0.154 1.00 10.00 C ATOM 240 NE2 HIS A 35 2.274 -12.008 0.795 1.00 10.00 N ATOM 0 H HIS A 35 0.642 -9.263 -3.006 1.00 10.00 H new ATOM 0 HA HIS A 35 2.393 -8.375 -0.825 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.509 -10.403 -3.054 1.00 10.00 H new ATOM 0 HB3 HIS A 35 4.004 -9.803 -2.364 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.281 -10.123 0.285 1.00 10.00 H new ATOM 0 HE1 HIS A 35 3.656 -13.616 0.501 1.00 10.00 H new ATOM 0 HE2 HIS A 35 1.829 -12.274 1.674 1.00 10.00 H new ATOM 248 N PHE A 36 2.651 -6.282 -2.345 1.00 10.00 N ATOM 249 CA PHE A 36 3.221 -5.150 -3.051 1.00 10.00 C ATOM 250 C PHE A 36 4.659 -4.920 -2.609 1.00 10.00 C ATOM 251 O PHE A 36 4.927 -4.684 -1.428 1.00 10.00 O ATOM 252 CB PHE A 36 2.388 -3.892 -2.814 1.00 10.00 C ATOM 253 CG PHE A 36 2.319 -2.991 -4.019 1.00 10.00 C ATOM 254 CD1 PHE A 36 1.137 -2.848 -4.725 1.00 10.00 C ATOM 255 CD2 PHE A 36 3.440 -2.296 -4.449 1.00 10.00 C ATOM 256 CE1 PHE A 36 1.070 -2.030 -5.837 1.00 10.00 C ATOM 257 CE2 PHE A 36 3.378 -1.477 -5.560 1.00 10.00 C ATOM 258 CZ PHE A 36 2.191 -1.343 -6.253 1.00 10.00 C ATOM 0 H PHE A 36 2.024 -6.035 -1.580 1.00 10.00 H new ATOM 0 HA PHE A 36 3.213 -5.373 -4.118 1.00 10.00 H new ATOM 0 HB2 PHE A 36 1.377 -4.182 -2.527 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.810 -3.337 -1.977 1.00 10.00 H new ATOM 0 HD1 PHE A 36 0.256 -3.383 -4.403 1.00 10.00 H new ATOM 0 HD2 PHE A 36 4.370 -2.396 -3.910 1.00 10.00 H new ATOM 0 HE1 PHE A 36 0.141 -1.929 -6.379 1.00 10.00 H new ATOM 0 HE2 PHE A 36 4.257 -0.942 -5.886 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.141 -0.701 -7.120 1.00 10.00 H new ATOM 268 N LYS A 37 5.579 -5.010 -3.555 1.00 10.00 N ATOM 269 CA LYS A 37 6.986 -4.803 -3.266 1.00 10.00 C ATOM 270 C LYS A 37 7.342 -3.339 -3.486 1.00 10.00 C ATOM 271 O LYS A 37 7.307 -2.844 -4.614 1.00 10.00 O ATOM 272 CB LYS A 37 7.848 -5.707 -4.147 1.00 10.00 C ATOM 273 CG LYS A 37 9.260 -5.905 -3.620 1.00 10.00 C ATOM 274 CD LYS A 37 9.791 -7.291 -3.956 1.00 10.00 C ATOM 275 CE LYS A 37 9.177 -8.360 -3.063 1.00 10.00 C ATOM 276 NZ LYS A 37 9.643 -9.728 -3.418 1.00 10.00 N ATOM 0 H LYS A 37 5.375 -5.225 -4.531 1.00 10.00 H new ATOM 0 HA LYS A 37 7.180 -5.060 -2.225 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.364 -6.679 -4.239 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.900 -5.281 -5.149 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.918 -5.149 -4.047 1.00 10.00 H new ATOM 0 HG3 LYS A 37 9.270 -5.763 -2.539 1.00 10.00 H new ATOM 0 HD2 LYS A 37 9.575 -7.520 -5.000 1.00 10.00 H new ATOM 0 HD3 LYS A 37 10.875 -7.302 -3.845 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.429 -8.151 -2.023 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.091 -8.317 -3.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.198 -10.422 -2.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.380 -9.940 -4.402 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.677 -9.780 -3.317 1.00 10.00 H new ATOM 290 N VAL A 38 7.673 -2.651 -2.404 1.00 10.00 N ATOM 291 CA VAL A 38 8.002 -1.236 -2.473 1.00 10.00 C ATOM 292 C VAL A 38 9.511 -1.004 -2.428 1.00 10.00 C ATOM 293 O VAL A 38 10.276 -1.849 -1.955 1.00 10.00 O ATOM 294 CB VAL A 38 7.322 -0.445 -1.329 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.840 -0.776 -1.257 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.996 -0.718 0.010 1.00 10.00 C ATOM 0 H VAL A 38 7.721 -3.050 -1.467 1.00 10.00 H new ATOM 0 HA VAL A 38 7.624 -0.873 -3.429 1.00 10.00 H new ATOM 0 HB VAL A 38 7.431 0.617 -1.548 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.380 -0.210 -0.447 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.362 -0.513 -2.201 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.714 -1.843 -1.072 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.495 -0.148 0.792 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.933 -1.782 0.239 1.00 10.00 H new ATOM 0 HG23 VAL A 38 9.043 -0.420 -0.042 1.00 10.00 H new ATOM 306 N LYS A 39 9.925 0.152 -2.926 1.00 10.00 N ATOM 307 CA LYS A 39 11.327 0.528 -2.954 1.00 10.00 C ATOM 308 C LYS A 39 11.617 1.508 -1.820 1.00 10.00 C ATOM 309 O LYS A 39 10.984 2.563 -1.725 1.00 10.00 O ATOM 310 CB LYS A 39 11.670 1.155 -4.312 1.00 10.00 C ATOM 311 CG LYS A 39 13.160 1.303 -4.566 1.00 10.00 C ATOM 312 CD LYS A 39 13.453 1.411 -6.053 1.00 10.00 C ATOM 313 CE LYS A 39 14.917 1.724 -6.318 1.00 10.00 C ATOM 314 NZ LYS A 39 15.246 3.147 -6.034 1.00 10.00 N ATOM 0 H LYS A 39 9.298 0.853 -3.321 1.00 10.00 H new ATOM 0 HA LYS A 39 11.946 -0.359 -2.816 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.236 0.543 -5.103 1.00 10.00 H new ATOM 0 HB3 LYS A 39 11.202 2.137 -4.376 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.533 2.190 -4.053 1.00 10.00 H new ATOM 0 HG3 LYS A 39 13.690 0.447 -4.149 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.186 0.476 -6.545 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.829 2.191 -6.491 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.543 1.078 -5.702 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.153 1.499 -7.358 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.031 3.450 -6.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.413 3.740 -6.221 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.525 3.247 -5.037 1.00 10.00 H new ATOM 328 N MET A 40 12.562 1.156 -0.960 1.00 10.00 N ATOM 329 CA MET A 40 12.919 2.003 0.171 1.00 10.00 C ATOM 330 C MET A 40 13.721 3.217 -0.284 1.00 10.00 C ATOM 331 O MET A 40 14.949 3.170 -0.365 1.00 10.00 O ATOM 332 CB MET A 40 13.709 1.207 1.213 1.00 10.00 C ATOM 333 CG MET A 40 14.173 2.045 2.395 1.00 10.00 C ATOM 334 SD MET A 40 12.803 2.810 3.286 1.00 10.00 S ATOM 335 CE MET A 40 12.047 1.361 4.020 1.00 10.00 C ATOM 0 H MET A 40 13.096 0.289 -1.023 1.00 10.00 H new ATOM 0 HA MET A 40 11.995 2.356 0.628 1.00 10.00 H new ATOM 0 HB2 MET A 40 13.089 0.389 1.579 1.00 10.00 H new ATOM 0 HB3 MET A 40 14.578 0.758 0.733 1.00 10.00 H new ATOM 0 HG2 MET A 40 14.741 1.416 3.081 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.850 2.822 2.041 1.00 10.00 H new ATOM 0 HE1 MET A 40 11.427 1.662 4.865 1.00 10.00 H new ATOM 0 HE2 MET A 40 11.428 0.858 3.277 1.00 10.00 H new ATOM 0 HE3 MET A 40 12.825 0.680 4.365 1.00 10.00 H new ATOM 345 N THR A 41 13.001 4.291 -0.602 1.00 10.00 N ATOM 346 CA THR A 41 13.599 5.544 -1.045 1.00 10.00 C ATOM 347 C THR A 41 12.515 6.458 -1.616 1.00 10.00 C ATOM 348 O THR A 41 12.641 7.684 -1.591 1.00 10.00 O ATOM 349 CB THR A 41 14.725 5.324 -2.098 1.00 10.00 C ATOM 350 OG1 THR A 41 15.707 6.368 -2.008 1.00 10.00 O ATOM 351 CG2 THR A 41 14.173 5.264 -3.518 1.00 10.00 C ATOM 0 H THR A 41 11.982 4.314 -0.559 1.00 10.00 H new ATOM 0 HA THR A 41 14.061 6.014 -0.176 1.00 10.00 H new ATOM 0 HB THR A 41 15.190 4.364 -1.875 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.409 6.215 -2.675 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.992 5.110 -4.221 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.465 4.439 -3.599 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.667 6.201 -3.751 1.00 10.00 H new ATOM 359 N THR A 42 11.447 5.851 -2.120 1.00 10.00 N ATOM 360 CA THR A 42 10.346 6.597 -2.700 1.00 10.00 C ATOM 361 C THR A 42 9.196 6.726 -1.702 1.00 10.00 C ATOM 362 O THR A 42 9.001 5.854 -0.851 1.00 10.00 O ATOM 363 CB THR A 42 9.844 5.895 -3.978 1.00 10.00 C ATOM 364 OG1 THR A 42 10.912 5.122 -4.551 1.00 10.00 O ATOM 365 CG2 THR A 42 9.338 6.908 -4.994 1.00 10.00 C ATOM 0 H THR A 42 11.324 4.839 -2.137 1.00 10.00 H new ATOM 0 HA THR A 42 10.706 7.594 -2.953 1.00 10.00 H new ATOM 0 HB THR A 42 9.016 5.239 -3.711 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.909 5.231 -5.525 1.00 10.00 H new ATOM 0 HG21 THR A 42 8.990 6.386 -5.886 1.00 10.00 H new ATOM 0 HG22 THR A 42 8.515 7.477 -4.562 1.00 10.00 H new ATOM 0 HG23 THR A 42 10.146 7.588 -5.264 1.00 10.00 H new ATOM 373 N HIS A 43 8.456 7.827 -1.791 1.00 10.00 N ATOM 374 CA HIS A 43 7.318 8.058 -0.906 1.00 10.00 C ATOM 375 C HIS A 43 6.203 7.074 -1.220 1.00 10.00 C ATOM 376 O HIS A 43 6.090 6.592 -2.349 1.00 10.00 O ATOM 377 CB HIS A 43 6.795 9.490 -1.053 1.00 10.00 C ATOM 378 CG HIS A 43 7.484 10.486 -0.176 1.00 10.00 C ATOM 379 ND1 HIS A 43 8.147 11.562 -0.708 1.00 10.00 N ATOM 380 CD2 HIS A 43 7.587 10.524 1.173 1.00 10.00 C ATOM 381 CE1 HIS A 43 8.635 12.231 0.322 1.00 10.00 C ATOM 382 NE2 HIS A 43 8.321 11.640 1.482 1.00 10.00 N ATOM 0 H HIS A 43 8.623 8.573 -2.466 1.00 10.00 H new ATOM 0 HA HIS A 43 7.652 7.912 0.121 1.00 10.00 H new ATOM 0 HB2 HIS A 43 6.905 9.800 -2.092 1.00 10.00 H new ATOM 0 HB3 HIS A 43 5.729 9.501 -0.828 1.00 10.00 H new ATOM 0 HD2 HIS A 43 7.171 9.813 1.871 1.00 10.00 H new ATOM 0 HE1 HIS A 43 9.214 13.139 0.239 1.00 10.00 H new ATOM 0 HE2 HIS A 43 8.578 11.959 2.416 1.00 10.00 H new ATOM 390 N LEU A 44 5.364 6.801 -0.228 1.00 10.00 N ATOM 391 CA LEU A 44 4.254 5.871 -0.393 1.00 10.00 C ATOM 392 C LEU A 44 3.233 6.402 -1.390 1.00 10.00 C ATOM 393 O LEU A 44 2.354 5.669 -1.831 1.00 10.00 O ATOM 394 CB LEU A 44 3.584 5.591 0.952 1.00 10.00 C ATOM 395 CG LEU A 44 4.388 4.694 1.900 1.00 10.00 C ATOM 396 CD1 LEU A 44 3.668 4.536 3.227 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.632 3.334 1.268 1.00 10.00 C ATOM 0 H LEU A 44 5.432 7.213 0.703 1.00 10.00 H new ATOM 0 HA LEU A 44 4.657 4.938 -0.786 1.00 10.00 H new ATOM 0 HB2 LEU A 44 3.392 6.541 1.450 1.00 10.00 H new ATOM 0 HB3 LEU A 44 2.616 5.125 0.769 1.00 10.00 H new ATOM 0 HG LEU A 44 5.351 5.170 2.084 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.255 3.896 3.886 1.00 10.00 H new ATOM 0 HD12 LEU A 44 3.541 5.514 3.691 1.00 10.00 H new ATOM 0 HD13 LEU A 44 2.690 4.084 3.059 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.204 2.711 1.955 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.676 2.855 1.054 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.191 3.459 0.341 1.00 10.00 H new ATOM 409 N LYS A 45 3.362 7.678 -1.739 1.00 10.00 N ATOM 410 CA LYS A 45 2.472 8.322 -2.699 1.00 10.00 C ATOM 411 C LYS A 45 2.428 7.529 -4.004 1.00 10.00 C ATOM 412 O LYS A 45 1.353 7.205 -4.512 1.00 10.00 O ATOM 413 CB LYS A 45 2.962 9.747 -2.987 1.00 10.00 C ATOM 414 CG LYS A 45 2.163 10.476 -4.056 1.00 10.00 C ATOM 415 CD LYS A 45 1.010 11.254 -3.452 1.00 10.00 C ATOM 416 CE LYS A 45 0.219 12.004 -4.514 1.00 10.00 C ATOM 417 NZ LYS A 45 -0.851 12.846 -3.911 1.00 10.00 N ATOM 0 H LYS A 45 4.084 8.294 -1.365 1.00 10.00 H new ATOM 0 HA LYS A 45 1.470 8.357 -2.272 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.925 10.325 -2.064 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.007 9.705 -3.295 1.00 10.00 H new ATOM 0 HG2 LYS A 45 2.817 11.157 -4.600 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.779 9.757 -4.779 1.00 10.00 H new ATOM 0 HD2 LYS A 45 0.348 10.570 -2.921 1.00 10.00 H new ATOM 0 HD3 LYS A 45 1.394 11.961 -2.717 1.00 10.00 H new ATOM 0 HE2 LYS A 45 0.894 12.633 -5.094 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -0.226 11.291 -5.208 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.709 12.789 -4.496 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.063 12.504 -2.952 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -0.530 13.834 -3.863 1.00 10.00 H new ATOM 431 N LYS A 46 3.609 7.193 -4.516 1.00 10.00 N ATOM 432 CA LYS A 46 3.730 6.451 -5.764 1.00 10.00 C ATOM 433 C LYS A 46 3.197 5.026 -5.617 1.00 10.00 C ATOM 434 O LYS A 46 2.674 4.447 -6.567 1.00 10.00 O ATOM 435 CB LYS A 46 5.196 6.429 -6.216 1.00 10.00 C ATOM 436 CG LYS A 46 5.421 5.726 -7.547 1.00 10.00 C ATOM 437 CD LYS A 46 4.729 6.454 -8.689 1.00 10.00 C ATOM 438 CE LYS A 46 4.502 5.533 -9.872 1.00 10.00 C ATOM 439 NZ LYS A 46 3.569 6.124 -10.865 1.00 10.00 N ATOM 0 H LYS A 46 4.501 7.426 -4.080 1.00 10.00 H new ATOM 0 HA LYS A 46 3.128 6.954 -6.521 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.558 7.454 -6.292 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.795 5.936 -5.450 1.00 10.00 H new ATOM 0 HG2 LYS A 46 6.490 5.663 -7.750 1.00 10.00 H new ATOM 0 HG3 LYS A 46 5.047 4.704 -7.487 1.00 10.00 H new ATOM 0 HD2 LYS A 46 3.773 6.850 -8.345 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.334 7.306 -8.999 1.00 10.00 H new ATOM 0 HE2 LYS A 46 5.456 5.319 -10.353 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.102 4.582 -9.520 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 3.242 5.383 -11.518 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 2.752 6.536 -10.371 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 4.059 6.867 -11.403 1.00 10.00 H new ATOM 453 N LEU A 47 3.324 4.468 -4.425 1.00 10.00 N ATOM 454 CA LEU A 47 2.859 3.112 -4.167 1.00 10.00 C ATOM 455 C LEU A 47 1.336 3.073 -4.049 1.00 10.00 C ATOM 456 O LEU A 47 0.684 2.165 -4.566 1.00 10.00 O ATOM 457 CB LEU A 47 3.503 2.555 -2.889 1.00 10.00 C ATOM 458 CG LEU A 47 4.985 2.157 -3.001 1.00 10.00 C ATOM 459 CD1 LEU A 47 5.259 1.431 -4.308 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.891 3.370 -2.867 1.00 10.00 C ATOM 0 H LEU A 47 3.745 4.931 -3.620 1.00 10.00 H new ATOM 0 HA LEU A 47 3.156 2.488 -5.010 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.406 3.302 -2.101 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.935 1.681 -2.571 1.00 10.00 H new ATOM 0 HG LEU A 47 5.205 1.476 -2.179 1.00 10.00 H new ATOM 0 HD11 LEU A 47 6.314 1.162 -4.360 1.00 10.00 H new ATOM 0 HD12 LEU A 47 4.651 0.528 -4.357 1.00 10.00 H new ATOM 0 HD13 LEU A 47 5.009 2.082 -5.145 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.932 3.058 -2.950 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.662 4.084 -3.658 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.730 3.839 -1.897 1.00 10.00 H new ATOM 472 N LYS A 48 0.777 4.077 -3.385 1.00 10.00 N ATOM 473 CA LYS A 48 -0.666 4.164 -3.182 1.00 10.00 C ATOM 474 C LYS A 48 -1.413 4.325 -4.503 1.00 10.00 C ATOM 475 O LYS A 48 -2.433 3.671 -4.728 1.00 10.00 O ATOM 476 CB LYS A 48 -1.005 5.325 -2.245 1.00 10.00 C ATOM 477 CG LYS A 48 -0.521 5.113 -0.820 1.00 10.00 C ATOM 478 CD LYS A 48 -0.645 6.381 0.011 1.00 10.00 C ATOM 479 CE LYS A 48 -2.075 6.618 0.470 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.205 7.894 1.214 1.00 10.00 N ATOM 0 H LYS A 48 1.304 4.848 -2.975 1.00 10.00 H new ATOM 0 HA LYS A 48 -0.989 3.228 -2.726 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.563 6.240 -2.638 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.085 5.471 -2.236 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -1.099 4.315 -0.354 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.519 4.787 -0.834 1.00 10.00 H new ATOM 0 HD2 LYS A 48 0.009 6.311 0.880 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.305 7.235 -0.576 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.738 6.631 -0.395 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.396 5.792 1.105 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -2.763 7.737 2.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -1.260 8.244 1.471 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.684 8.597 0.616 1.00 10.00 H new ATOM 494 N GLU A 49 -0.911 5.193 -5.376 1.00 10.00 N ATOM 495 CA GLU A 49 -1.555 5.414 -6.665 1.00 10.00 C ATOM 496 C GLU A 49 -1.457 4.169 -7.539 1.00 10.00 C ATOM 497 O GLU A 49 -2.410 3.813 -8.228 1.00 10.00 O ATOM 498 CB GLU A 49 -0.952 6.628 -7.387 1.00 10.00 C ATOM 499 CG GLU A 49 0.552 6.551 -7.586 1.00 10.00 C ATOM 500 CD GLU A 49 1.078 7.653 -8.481 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.017 8.833 -8.075 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.554 7.345 -9.595 1.00 10.00 O ATOM 0 H GLU A 49 -0.070 5.749 -5.217 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.608 5.623 -6.478 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.431 6.732 -8.361 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.186 7.528 -6.818 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.046 6.608 -6.616 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.809 5.584 -8.018 1.00 10.00 H new ATOM 509 N SER A 50 -0.315 3.491 -7.482 1.00 10.00 N ATOM 510 CA SER A 50 -0.109 2.286 -8.272 1.00 10.00 C ATOM 511 C SER A 50 -1.054 1.176 -7.821 1.00 10.00 C ATOM 512 O SER A 50 -1.520 0.375 -8.634 1.00 10.00 O ATOM 513 CB SER A 50 1.344 1.831 -8.174 1.00 10.00 C ATOM 514 OG SER A 50 2.219 2.850 -8.625 1.00 10.00 O ATOM 0 H SER A 50 0.479 3.756 -6.898 1.00 10.00 H new ATOM 0 HA SER A 50 -0.330 2.514 -9.315 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.580 1.572 -7.142 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.489 0.930 -8.770 1.00 10.00 H new ATOM 0 HG SER A 50 2.424 3.457 -7.884 1.00 10.00 H new ATOM 520 N TYR A 51 -1.337 1.133 -6.523 1.00 10.00 N ATOM 521 CA TYR A 51 -2.245 0.132 -5.979 1.00 10.00 C ATOM 522 C TYR A 51 -3.629 0.330 -6.583 1.00 10.00 C ATOM 523 O TYR A 51 -4.283 -0.628 -6.991 1.00 10.00 O ATOM 524 CB TYR A 51 -2.313 0.229 -4.452 1.00 10.00 C ATOM 525 CG TYR A 51 -3.111 -0.887 -3.806 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.525 -2.115 -3.532 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.451 -0.712 -3.475 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.248 -3.138 -2.947 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.180 -1.730 -2.888 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.574 -2.939 -2.627 1.00 10.00 C ATOM 531 OH TYR A 51 -5.296 -3.957 -2.044 1.00 10.00 O ATOM 0 H TYR A 51 -0.952 1.777 -5.832 1.00 10.00 H new ATOM 0 HA TYR A 51 -1.873 -0.860 -6.235 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.300 0.219 -4.051 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.755 1.186 -4.177 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.486 -2.274 -3.780 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.930 0.234 -3.680 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.777 -4.088 -2.742 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.219 -1.578 -2.636 1.00 10.00 H new ATOM 0 HH TYR A 51 -4.697 -4.518 -1.509 1.00 10.00 H new ATOM 541 N CYS A 52 -4.051 1.590 -6.661 1.00 10.00 N ATOM 542 CA CYS A 52 -5.348 1.935 -7.222 1.00 10.00 C ATOM 543 C CYS A 52 -5.406 1.535 -8.696 1.00 10.00 C ATOM 544 O CYS A 52 -6.400 0.969 -9.160 1.00 10.00 O ATOM 545 CB CYS A 52 -5.606 3.439 -7.071 1.00 10.00 C ATOM 546 SG CYS A 52 -5.360 4.069 -5.391 1.00 10.00 S ATOM 0 H CYS A 52 -3.507 2.391 -6.340 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.122 1.391 -6.680 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.946 3.979 -7.750 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.628 3.654 -7.382 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.090 4.078 -5.113 1.00 10.00 H new ATOM 552 N GLN A 53 -4.319 1.812 -9.415 1.00 10.00 N ATOM 553 CA GLN A 53 -4.219 1.485 -10.834 1.00 10.00 C ATOM 554 C GLN A 53 -4.335 -0.021 -11.052 1.00 10.00 C ATOM 555 O GLN A 53 -5.042 -0.472 -11.951 1.00 10.00 O ATOM 556 CB GLN A 53 -2.892 1.989 -11.409 1.00 10.00 C ATOM 557 CG GLN A 53 -2.730 3.499 -11.350 1.00 10.00 C ATOM 558 CD GLN A 53 -1.358 3.960 -11.806 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.367 3.242 -11.665 1.00 10.00 O ATOM 560 NE2 GLN A 53 -1.288 5.164 -12.351 1.00 10.00 N ATOM 0 H GLN A 53 -3.489 2.266 -9.033 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.042 1.979 -11.351 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.071 1.524 -10.864 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.810 1.665 -12.446 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.492 3.966 -11.974 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.902 3.839 -10.329 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -2.132 5.729 -12.450 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.390 5.527 -12.672 1.00 10.00 H new ATOM 569 N ARG A 54 -3.637 -0.790 -10.217 1.00 10.00 N ATOM 570 CA ARG A 54 -3.657 -2.250 -10.304 1.00 10.00 C ATOM 571 C ARG A 54 -5.053 -2.799 -10.007 1.00 10.00 C ATOM 572 O ARG A 54 -5.534 -3.702 -10.692 1.00 10.00 O ATOM 573 CB ARG A 54 -2.632 -2.853 -9.331 1.00 10.00 C ATOM 574 CG ARG A 54 -2.866 -4.323 -9.009 1.00 10.00 C ATOM 575 CD ARG A 54 -2.510 -5.229 -10.180 1.00 10.00 C ATOM 576 NE ARG A 54 -3.143 -6.542 -10.053 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.525 -7.642 -9.611 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.231 -7.623 -9.328 1.00 10.00 N ATOM 579 NH2 ARG A 54 -3.195 -8.775 -9.474 1.00 10.00 N ATOM 0 H ARG A 54 -3.048 -0.424 -9.469 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.390 -2.533 -11.322 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -1.635 -2.740 -9.756 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -2.650 -2.282 -8.403 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.270 -4.603 -8.140 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -3.912 -4.473 -8.740 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.825 -4.761 -11.113 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.428 -5.349 -10.233 1.00 10.00 H new ATOM 0 HE ARG A 54 -4.124 -6.624 -10.320 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.696 -6.763 -9.447 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.770 -8.468 -8.991 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -4.188 -8.812 -9.706 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -2.719 -9.611 -9.136 1.00 10.00 H new ATOM 593 N GLN A 55 -5.697 -2.254 -8.983 1.00 10.00 N ATOM 594 CA GLN A 55 -7.032 -2.702 -8.605 1.00 10.00 C ATOM 595 C GLN A 55 -8.051 -2.328 -9.674 1.00 10.00 C ATOM 596 O GLN A 55 -8.970 -3.095 -9.963 1.00 10.00 O ATOM 597 CB GLN A 55 -7.445 -2.106 -7.255 1.00 10.00 C ATOM 598 CG GLN A 55 -6.581 -2.570 -6.090 1.00 10.00 C ATOM 599 CD GLN A 55 -6.500 -4.080 -5.979 1.00 10.00 C ATOM 600 OE1 GLN A 55 -5.620 -4.713 -6.564 1.00 10.00 O ATOM 601 NE2 GLN A 55 -7.417 -4.668 -5.230 1.00 10.00 N ATOM 0 H GLN A 55 -5.320 -1.505 -8.402 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.006 -3.788 -8.513 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.400 -1.019 -7.319 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.483 -2.370 -7.054 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.576 -2.165 -6.206 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -6.983 -2.164 -5.162 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.129 -4.108 -4.762 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.412 -5.682 -5.120 1.00 10.00 H new ATOM 610 N GLY A 56 -7.876 -1.156 -10.266 1.00 10.00 N ATOM 611 CA GLY A 56 -8.787 -0.695 -11.293 1.00 10.00 C ATOM 612 C GLY A 56 -9.739 0.358 -10.769 1.00 10.00 C ATOM 613 O GLY A 56 -10.850 0.517 -11.277 1.00 10.00 O ATOM 0 H GLY A 56 -7.114 -0.512 -10.052 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.217 -0.287 -12.128 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.357 -1.540 -11.679 1.00 10.00 H new ATOM 617 N VAL A 57 -9.295 1.086 -9.756 1.00 10.00 N ATOM 618 CA VAL A 57 -10.103 2.128 -9.144 1.00 10.00 C ATOM 619 C VAL A 57 -9.337 3.445 -9.115 1.00 10.00 C ATOM 620 O VAL A 57 -8.106 3.454 -9.201 1.00 10.00 O ATOM 621 CB VAL A 57 -10.516 1.745 -7.703 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.552 0.630 -7.719 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.302 1.336 -6.884 1.00 10.00 C ATOM 0 H VAL A 57 -8.372 0.972 -9.338 1.00 10.00 H new ATOM 0 HA VAL A 57 -11.004 2.242 -9.747 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.963 2.622 -7.234 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.829 0.376 -6.696 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.436 0.963 -8.262 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.134 -0.248 -8.211 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.617 1.071 -5.875 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.820 0.477 -7.351 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.597 2.166 -6.838 1.00 10.00 H new ATOM 633 N PRO A 58 -10.048 4.579 -9.029 1.00 10.00 N ATOM 634 CA PRO A 58 -9.414 5.894 -8.971 1.00 10.00 C ATOM 635 C PRO A 58 -8.711 6.117 -7.637 1.00 10.00 C ATOM 636 O PRO A 58 -9.049 5.486 -6.635 1.00 10.00 O ATOM 637 CB PRO A 58 -10.588 6.865 -9.129 1.00 10.00 C ATOM 638 CG PRO A 58 -11.777 6.110 -8.651 1.00 10.00 C ATOM 639 CD PRO A 58 -11.521 4.671 -9.001 1.00 10.00 C ATOM 0 HA PRO A 58 -8.645 6.019 -9.733 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -10.433 7.771 -8.542 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.708 7.174 -10.167 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.911 6.232 -7.576 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.687 6.472 -9.129 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.951 3.996 -8.261 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.958 4.409 -9.965 1.00 10.00 H new ATOM 647 N MET A 59 -7.737 7.008 -7.620 1.00 10.00 N ATOM 648 CA MET A 59 -7.003 7.298 -6.396 1.00 10.00 C ATOM 649 C MET A 59 -7.905 8.000 -5.381 1.00 10.00 C ATOM 650 O MET A 59 -8.850 8.690 -5.765 1.00 10.00 O ATOM 651 CB MET A 59 -5.774 8.160 -6.701 1.00 10.00 C ATOM 652 CG MET A 59 -4.765 8.211 -5.563 1.00 10.00 C ATOM 653 SD MET A 59 -3.269 9.123 -5.994 1.00 10.00 S ATOM 654 CE MET A 59 -2.318 8.925 -4.491 1.00 10.00 C ATOM 0 H MET A 59 -7.435 7.543 -8.434 1.00 10.00 H new ATOM 0 HA MET A 59 -6.668 6.354 -5.965 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.282 7.773 -7.594 1.00 10.00 H new ATOM 0 HB3 MET A 59 -6.101 9.174 -6.931 1.00 10.00 H new ATOM 0 HG2 MET A 59 -5.229 8.675 -4.693 1.00 10.00 H new ATOM 0 HG3 MET A 59 -4.495 7.194 -5.277 1.00 10.00 H new ATOM 0 HE1 MET A 59 -1.765 9.842 -4.287 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.991 8.715 -3.660 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.618 8.098 -4.609 1.00 10.00 H new ATOM 664 N ASN A 60 -7.619 7.773 -4.094 1.00 10.00 N ATOM 665 CA ASN A 60 -8.361 8.376 -2.973 1.00 10.00 C ATOM 666 C ASN A 60 -9.677 7.650 -2.693 1.00 10.00 C ATOM 667 O ASN A 60 -10.418 8.026 -1.788 1.00 10.00 O ATOM 668 CB ASN A 60 -8.623 9.870 -3.208 1.00 10.00 C ATOM 669 CG ASN A 60 -8.680 10.671 -1.918 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.653 11.133 -1.418 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.877 10.865 -1.381 1.00 10.00 N ATOM 0 H ASN A 60 -6.860 7.161 -3.795 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.726 8.269 -2.094 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.838 10.275 -3.847 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -9.564 9.988 -3.745 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.969 11.413 -0.525 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.705 10.467 -1.824 1.00 10.00 H new ATOM 678 N SER A 61 -9.973 6.611 -3.461 1.00 10.00 N ATOM 679 CA SER A 61 -11.199 5.852 -3.247 1.00 10.00 C ATOM 680 C SER A 61 -10.997 4.840 -2.127 1.00 10.00 C ATOM 681 O SER A 61 -11.945 4.439 -1.449 1.00 10.00 O ATOM 682 CB SER A 61 -11.626 5.141 -4.532 1.00 10.00 C ATOM 683 OG SER A 61 -10.617 4.257 -4.987 1.00 10.00 O ATOM 0 H SER A 61 -9.390 6.277 -4.229 1.00 10.00 H new ATOM 0 HA SER A 61 -11.990 6.545 -2.960 1.00 10.00 H new ATOM 0 HB2 SER A 61 -12.547 4.586 -4.355 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.842 5.879 -5.305 1.00 10.00 H new ATOM 0 HG SER A 61 -10.066 4.708 -5.660 1.00 10.00 H new ATOM 689 N LEU A 62 -9.747 4.442 -1.935 1.00 10.00 N ATOM 690 CA LEU A 62 -9.390 3.481 -0.905 1.00 10.00 C ATOM 691 C LEU A 62 -8.420 4.109 0.091 1.00 10.00 C ATOM 692 O LEU A 62 -7.560 4.908 -0.286 1.00 10.00 O ATOM 693 CB LEU A 62 -8.745 2.241 -1.531 1.00 10.00 C ATOM 694 CG LEU A 62 -9.561 1.543 -2.621 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.729 0.465 -3.295 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.835 0.949 -2.043 1.00 10.00 C ATOM 0 H LEU A 62 -8.956 4.775 -2.487 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.300 3.186 -0.384 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.782 2.530 -1.953 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.542 1.521 -0.738 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.841 2.285 -3.369 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.323 -0.023 -4.068 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.846 0.916 -3.747 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.421 -0.273 -2.554 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.400 0.458 -2.835 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.580 0.220 -1.274 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.440 1.743 -1.605 1.00 10.00 H new ATOM 708 N ARG A 63 -8.562 3.747 1.358 1.00 10.00 N ATOM 709 CA ARG A 63 -7.695 4.266 2.401 1.00 10.00 C ATOM 710 C ARG A 63 -6.879 3.138 3.020 1.00 10.00 C ATOM 711 O ARG A 63 -7.395 2.048 3.273 1.00 10.00 O ATOM 712 CB ARG A 63 -8.508 4.988 3.484 1.00 10.00 C ATOM 713 CG ARG A 63 -9.435 4.084 4.285 1.00 10.00 C ATOM 714 CD ARG A 63 -9.990 4.803 5.504 1.00 10.00 C ATOM 715 NE ARG A 63 -10.942 3.977 6.244 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.261 4.004 6.054 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.799 4.838 5.174 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.047 3.212 6.765 1.00 10.00 N ATOM 0 H ARG A 63 -9.273 3.094 1.687 1.00 10.00 H new ATOM 0 HA ARG A 63 -7.015 4.987 1.948 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.819 5.480 4.170 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -9.102 5.771 3.013 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.257 3.750 3.652 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.893 3.193 4.601 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.169 5.086 6.162 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.479 5.725 5.189 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.574 3.340 6.950 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.202 5.466 4.636 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.809 4.851 5.036 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.643 2.581 7.458 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.056 3.232 6.620 1.00 10.00 H new ATOM 732 N PHE A 64 -5.603 3.406 3.240 1.00 10.00 N ATOM 733 CA PHE A 64 -4.705 2.431 3.837 1.00 10.00 C ATOM 734 C PHE A 64 -4.632 2.648 5.341 1.00 10.00 C ATOM 735 O PHE A 64 -4.336 3.753 5.800 1.00 10.00 O ATOM 736 CB PHE A 64 -3.308 2.542 3.223 1.00 10.00 C ATOM 737 CG PHE A 64 -3.222 2.054 1.805 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.503 2.903 0.747 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.856 0.746 1.530 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.421 2.459 -0.558 1.00 10.00 C ATOM 741 CE2 PHE A 64 -2.773 0.295 0.225 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.056 1.154 -0.820 1.00 10.00 C ATOM 0 H PHE A 64 -5.163 4.297 3.012 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.092 1.432 3.638 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.989 3.584 3.258 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.607 1.974 3.835 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.790 3.925 0.945 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.633 0.071 2.343 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.642 3.132 -1.373 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.487 -0.727 0.023 1.00 10.00 H new ATOM 0 HZ PHE A 64 -2.992 0.805 -1.840 1.00 10.00 H new ATOM 752 N LEU A 65 -4.909 1.600 6.096 1.00 10.00 N ATOM 753 CA LEU A 65 -4.888 1.674 7.545 1.00 10.00 C ATOM 754 C LEU A 65 -3.706 0.904 8.115 1.00 10.00 C ATOM 755 O LEU A 65 -3.600 -0.315 7.948 1.00 10.00 O ATOM 756 CB LEU A 65 -6.194 1.129 8.122 1.00 10.00 C ATOM 757 CG LEU A 65 -7.457 1.891 7.712 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.706 1.124 8.120 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.462 3.280 8.330 1.00 10.00 C ATOM 0 H LEU A 65 -5.153 0.681 5.726 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.782 2.721 7.827 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.301 0.088 7.816 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.122 1.135 9.210 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.458 1.993 6.627 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.591 1.684 7.819 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.710 0.149 7.632 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.713 0.989 9.202 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -8.366 3.809 8.029 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.436 3.195 9.416 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.587 3.833 7.988 1.00 10.00 H new ATOM 771 N PHE A 66 -2.825 1.628 8.784 1.00 10.00 N ATOM 772 CA PHE A 66 -1.645 1.051 9.405 1.00 10.00 C ATOM 773 C PHE A 66 -1.595 1.480 10.865 1.00 10.00 C ATOM 774 O PHE A 66 -1.622 2.679 11.159 1.00 10.00 O ATOM 775 CB PHE A 66 -0.384 1.504 8.667 1.00 10.00 C ATOM 776 CG PHE A 66 0.880 0.844 9.149 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.116 -0.499 8.898 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.835 1.569 9.846 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.279 -1.106 9.332 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.999 0.967 10.284 1.00 10.00 C ATOM 781 CZ PHE A 66 3.223 -0.372 10.027 1.00 10.00 C ATOM 0 H PHE A 66 -2.908 2.636 8.912 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.695 -0.036 9.350 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.505 1.299 7.603 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.281 2.584 8.774 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.382 -1.078 8.357 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.667 2.616 10.049 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.451 -2.153 9.129 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.734 1.543 10.827 1.00 10.00 H new ATOM 0 HZ PHE A 66 4.133 -0.844 10.368 1.00 10.00 H new ATOM 791 N GLU A 67 -1.563 0.502 11.771 1.00 10.00 N ATOM 792 CA GLU A 67 -1.532 0.766 13.212 1.00 10.00 C ATOM 793 C GLU A 67 -2.830 1.440 13.655 1.00 10.00 C ATOM 794 O GLU A 67 -2.909 2.027 14.733 1.00 10.00 O ATOM 795 CB GLU A 67 -0.326 1.638 13.586 1.00 10.00 C ATOM 796 CG GLU A 67 1.015 0.940 13.420 1.00 10.00 C ATOM 797 CD GLU A 67 1.259 -0.106 14.485 1.00 10.00 C ATOM 798 OE1 GLU A 67 0.793 -1.252 14.320 1.00 10.00 O ATOM 799 OE2 GLU A 67 1.917 0.214 15.497 1.00 10.00 O ATOM 0 H GLU A 67 -1.558 -0.489 11.530 1.00 10.00 H new ATOM 0 HA GLU A 67 -1.435 -0.188 13.730 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.335 2.537 12.970 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.431 1.961 14.622 1.00 10.00 H new ATOM 0 HG2 GLU A 67 1.057 0.470 12.437 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.813 1.681 13.454 1.00 10.00 H new ATOM 806 N GLY A 68 -3.855 1.336 12.815 1.00 10.00 N ATOM 807 CA GLY A 68 -5.132 1.946 13.120 1.00 10.00 C ATOM 808 C GLY A 68 -5.226 3.368 12.609 1.00 10.00 C ATOM 809 O GLY A 68 -6.242 4.037 12.793 1.00 10.00 O ATOM 0 H GLY A 68 -3.821 0.838 11.926 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.931 1.350 12.679 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.287 1.939 14.199 1.00 10.00 H new ATOM 813 N GLN A 69 -4.161 3.839 11.979 1.00 10.00 N ATOM 814 CA GLN A 69 -4.127 5.189 11.436 1.00 10.00 C ATOM 815 C GLN A 69 -4.195 5.143 9.918 1.00 10.00 C ATOM 816 O GLN A 69 -3.913 4.111 9.312 1.00 10.00 O ATOM 817 CB GLN A 69 -2.853 5.912 11.873 1.00 10.00 C ATOM 818 CG GLN A 69 -2.778 6.177 13.368 1.00 10.00 C ATOM 819 CD GLN A 69 -1.497 6.882 13.765 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.449 6.684 13.150 1.00 10.00 O ATOM 821 NE2 GLN A 69 -1.571 7.720 14.787 1.00 10.00 N ATOM 0 H GLN A 69 -3.305 3.304 11.830 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.989 5.735 11.819 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.989 5.318 11.575 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -2.785 6.861 11.342 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -3.632 6.783 13.670 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.851 5.232 13.906 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -2.458 7.857 15.271 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.741 8.229 15.090 1.00 10.00 H new ATOM 830 N ARG A 70 -4.561 6.258 9.308 1.00 10.00 N ATOM 831 CA ARG A 70 -4.659 6.320 7.860 1.00 10.00 C ATOM 832 C ARG A 70 -3.373 6.868 7.256 1.00 10.00 C ATOM 833 O ARG A 70 -2.929 7.969 7.594 1.00 10.00 O ATOM 834 CB ARG A 70 -5.867 7.158 7.423 1.00 10.00 C ATOM 835 CG ARG A 70 -5.972 8.511 8.110 1.00 10.00 C ATOM 836 CD ARG A 70 -7.251 9.235 7.723 1.00 10.00 C ATOM 837 NE ARG A 70 -7.316 9.520 6.289 1.00 10.00 N ATOM 838 CZ ARG A 70 -8.334 9.172 5.499 1.00 10.00 C ATOM 839 NH1 ARG A 70 -9.387 8.524 5.992 1.00 10.00 N ATOM 840 NH2 ARG A 70 -8.311 9.487 4.213 1.00 10.00 N ATOM 0 H ARG A 70 -4.794 7.127 9.789 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.805 5.305 7.490 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.816 7.314 6.345 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -6.777 6.592 7.620 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.943 8.374 9.191 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -5.111 9.124 7.843 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -8.110 8.629 8.010 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -7.320 10.169 8.280 1.00 10.00 H new ATOM 0 HE ARG A 70 -6.532 10.017 5.866 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -9.422 8.288 6.984 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -10.159 8.263 5.378 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -7.516 9.995 3.827 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -9.089 9.221 3.609 1.00 10.00 H new ATOM 854 N ILE A 71 -2.776 6.085 6.370 1.00 10.00 N ATOM 855 CA ILE A 71 -1.536 6.465 5.709 1.00 10.00 C ATOM 856 C ILE A 71 -1.743 7.690 4.822 1.00 10.00 C ATOM 857 O ILE A 71 -2.624 7.702 3.956 1.00 10.00 O ATOM 858 CB ILE A 71 -0.981 5.295 4.860 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.622 4.109 5.764 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.235 5.733 4.052 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.430 4.436 6.807 1.00 10.00 C ATOM 0 H ILE A 71 -3.135 5.172 6.090 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.812 6.711 6.486 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.757 4.984 4.160 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.524 3.760 6.267 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.264 3.286 5.145 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.604 4.892 3.465 1.00 10.00 H new ATOM 0 HG22 ILE A 71 -0.046 6.546 3.383 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.018 6.074 4.729 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.633 3.550 7.409 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.347 4.756 6.311 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.067 5.237 7.451 1.00 10.00 H new ATOM 873 N ALA A 72 -0.922 8.712 5.044 1.00 10.00 N ATOM 874 CA ALA A 72 -0.998 9.952 4.281 1.00 10.00 C ATOM 875 C ALA A 72 -0.335 9.779 2.919 1.00 10.00 C ATOM 876 O ALA A 72 0.096 8.682 2.564 1.00 10.00 O ATOM 877 CB ALA A 72 -0.344 11.087 5.055 1.00 10.00 C ATOM 0 H ALA A 72 -0.190 8.704 5.754 1.00 10.00 H new ATOM 0 HA ALA A 72 -2.047 10.201 4.122 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -0.407 12.007 4.474 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.858 11.222 6.007 1.00 10.00 H new ATOM 0 HB3 ALA A 72 0.703 10.846 5.239 1.00 10.00 H new ATOM 883 N ASP A 73 -0.261 10.854 2.152 1.00 10.00 N ATOM 884 CA ASP A 73 0.346 10.790 0.828 1.00 10.00 C ATOM 885 C ASP A 73 1.811 11.199 0.882 1.00 10.00 C ATOM 886 O ASP A 73 2.561 10.990 -0.071 1.00 10.00 O ATOM 887 CB ASP A 73 -0.418 11.679 -0.152 1.00 10.00 C ATOM 888 CG ASP A 73 -1.516 10.929 -0.888 1.00 10.00 C ATOM 889 OD1 ASP A 73 -2.033 9.933 -0.342 1.00 10.00 O ATOM 890 OD2 ASP A 73 -1.872 11.340 -2.011 1.00 10.00 O ATOM 0 H ASP A 73 -0.610 11.775 2.418 1.00 10.00 H new ATOM 0 HA ASP A 73 0.293 9.759 0.480 1.00 10.00 H new ATOM 0 HB2 ASP A 73 -0.856 12.517 0.389 1.00 10.00 H new ATOM 0 HB3 ASP A 73 0.280 12.097 -0.877 1.00 10.00 H new ATOM 895 N ASN A 74 2.212 11.777 2.003 1.00 10.00 N ATOM 896 CA ASN A 74 3.592 12.212 2.195 1.00 10.00 C ATOM 897 C ASN A 74 4.331 11.259 3.126 1.00 10.00 C ATOM 898 O ASN A 74 5.394 11.586 3.651 1.00 10.00 O ATOM 899 CB ASN A 74 3.640 13.634 2.771 1.00 10.00 C ATOM 900 CG ASN A 74 3.133 13.720 4.204 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.195 13.023 4.591 1.00 10.00 O ATOM 902 ND2 ASN A 74 3.753 14.576 5.001 1.00 10.00 N ATOM 0 H ASN A 74 1.600 11.958 2.799 1.00 10.00 H new ATOM 0 HA ASN A 74 4.081 12.209 1.221 1.00 10.00 H new ATOM 0 HB2 ASN A 74 4.666 13.999 2.733 1.00 10.00 H new ATOM 0 HB3 ASN A 74 3.043 14.294 2.141 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.457 14.675 5.972 1.00 10.00 H new ATOM 0 HD22 ASN A 74 4.527 15.137 4.644 1.00 10.00 H new ATOM 909 N HIS A 75 3.766 10.078 3.321 1.00 10.00 N ATOM 910 CA HIS A 75 4.364 9.083 4.197 1.00 10.00 C ATOM 911 C HIS A 75 5.458 8.301 3.481 1.00 10.00 C ATOM 912 O HIS A 75 5.360 8.014 2.285 1.00 10.00 O ATOM 913 CB HIS A 75 3.293 8.121 4.719 1.00 10.00 C ATOM 914 CG HIS A 75 2.826 8.438 6.104 1.00 10.00 C ATOM 915 ND1 HIS A 75 1.513 8.260 6.481 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.530 8.897 7.165 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.453 8.611 7.755 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.649 9.003 8.209 1.00 10.00 N ATOM 0 H HIS A 75 2.892 9.785 2.884 1.00 10.00 H new ATOM 0 HA HIS A 75 4.815 9.609 5.038 1.00 10.00 H new ATOM 0 HB2 HIS A 75 2.438 8.141 4.043 1.00 10.00 H new ATOM 0 HB3 HIS A 75 3.689 7.106 4.702 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.583 9.134 7.185 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.554 8.585 8.352 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.864 9.321 9.154 1.00 10.00 H new ATOM 926 N THR A 76 6.504 7.978 4.220 1.00 10.00 N ATOM 927 CA THR A 76 7.619 7.212 3.694 1.00 10.00 C ATOM 928 C THR A 76 7.748 5.913 4.486 1.00 10.00 C ATOM 929 O THR A 76 7.511 5.908 5.691 1.00 10.00 O ATOM 930 CB THR A 76 8.936 8.011 3.798 1.00 10.00 C ATOM 931 OG1 THR A 76 8.651 9.373 4.145 1.00 10.00 O ATOM 932 CG2 THR A 76 9.711 7.969 2.490 1.00 10.00 C ATOM 0 H THR A 76 6.604 8.239 5.201 1.00 10.00 H new ATOM 0 HA THR A 76 7.431 6.996 2.642 1.00 10.00 H new ATOM 0 HB THR A 76 9.550 7.553 4.574 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.559 9.450 5.118 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.633 8.541 2.595 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.951 6.935 2.242 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.105 8.401 1.694 1.00 10.00 H new ATOM 940 N PRO A 77 8.124 4.795 3.835 1.00 10.00 N ATOM 941 CA PRO A 77 8.274 3.496 4.515 1.00 10.00 C ATOM 942 C PRO A 77 9.380 3.501 5.574 1.00 10.00 C ATOM 943 O PRO A 77 9.551 2.531 6.310 1.00 10.00 O ATOM 944 CB PRO A 77 8.631 2.526 3.375 1.00 10.00 C ATOM 945 CG PRO A 77 8.241 3.227 2.121 1.00 10.00 C ATOM 946 CD PRO A 77 8.410 4.692 2.394 1.00 10.00 C ATOM 0 HA PRO A 77 7.368 3.226 5.058 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.695 2.291 3.379 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.096 1.582 3.480 1.00 10.00 H new ATOM 0 HG2 PRO A 77 8.868 2.911 1.287 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.210 2.997 1.850 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.418 5.033 2.157 1.00 10.00 H new ATOM 0 HD3 PRO A 77 7.722 5.295 1.802 1.00 10.00 H new ATOM 954 N LYS A 78 10.133 4.595 5.642 1.00 10.00 N ATOM 955 CA LYS A 78 11.217 4.721 6.607 1.00 10.00 C ATOM 956 C LYS A 78 10.671 5.070 7.991 1.00 10.00 C ATOM 957 O LYS A 78 11.248 4.691 9.011 1.00 10.00 O ATOM 958 CB LYS A 78 12.216 5.785 6.137 1.00 10.00 C ATOM 959 CG LYS A 78 13.442 5.933 7.031 1.00 10.00 C ATOM 960 CD LYS A 78 14.335 4.696 6.989 1.00 10.00 C ATOM 961 CE LYS A 78 15.025 4.539 5.639 1.00 10.00 C ATOM 962 NZ LYS A 78 16.100 3.510 5.677 1.00 10.00 N ATOM 0 H LYS A 78 10.011 5.408 5.038 1.00 10.00 H new ATOM 0 HA LYS A 78 11.732 3.763 6.680 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.545 5.537 5.128 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.705 6.746 6.079 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.016 6.805 6.717 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.122 6.114 8.057 1.00 10.00 H new ATOM 0 HD2 LYS A 78 15.087 4.764 7.775 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.736 3.809 7.196 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.287 4.265 4.885 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.450 5.496 5.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.543 3.436 4.739 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.818 3.784 6.378 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.691 2.591 5.941 1.00 10.00 H new ATOM 976 N GLU A 79 9.552 5.785 8.020 1.00 10.00 N ATOM 977 CA GLU A 79 8.932 6.179 9.279 1.00 10.00 C ATOM 978 C GLU A 79 7.833 5.188 9.643 1.00 10.00 C ATOM 979 O GLU A 79 7.606 4.223 8.910 1.00 10.00 O ATOM 980 CB GLU A 79 8.367 7.602 9.182 1.00 10.00 C ATOM 981 CG GLU A 79 7.238 7.752 8.182 1.00 10.00 C ATOM 982 CD GLU A 79 7.142 9.153 7.620 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.718 10.067 8.353 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.499 9.346 6.439 1.00 10.00 O ATOM 0 H GLU A 79 9.056 6.103 7.187 1.00 10.00 H new ATOM 0 HA GLU A 79 9.689 6.171 10.063 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.010 7.908 10.166 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.173 8.284 8.909 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.385 7.046 7.365 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.295 7.492 8.662 1.00 10.00 H new ATOM 991 N LEU A 80 7.184 5.416 10.788 1.00 10.00 N ATOM 992 CA LEU A 80 6.096 4.555 11.280 1.00 10.00 C ATOM 993 C LEU A 80 6.628 3.222 11.808 1.00 10.00 C ATOM 994 O LEU A 80 6.169 2.725 12.834 1.00 10.00 O ATOM 995 CB LEU A 80 5.045 4.298 10.190 1.00 10.00 C ATOM 996 CG LEU A 80 4.296 5.534 9.690 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.778 5.307 8.278 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.147 5.875 10.625 1.00 10.00 C ATOM 0 H LEU A 80 7.395 6.202 11.403 1.00 10.00 H new ATOM 0 HA LEU A 80 5.622 5.090 12.103 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.537 3.825 9.340 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.316 3.584 10.574 1.00 10.00 H new ATOM 0 HG LEU A 80 4.991 6.374 9.674 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.248 6.196 7.938 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.616 5.107 7.611 1.00 10.00 H new ATOM 0 HD13 LEU A 80 3.098 4.455 8.272 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.625 6.757 10.254 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.453 5.035 10.670 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.537 6.077 11.622 1.00 10.00 H new ATOM 1010 N GLY A 81 7.587 2.644 11.099 1.00 10.00 N ATOM 1011 CA GLY A 81 8.159 1.378 11.508 1.00 10.00 C ATOM 1012 C GLY A 81 7.715 0.243 10.612 1.00 10.00 C ATOM 1013 O GLY A 81 7.282 -0.805 11.093 1.00 10.00 O ATOM 0 H GLY A 81 7.981 3.033 10.242 1.00 10.00 H new ATOM 0 HA2 GLY A 81 9.247 1.449 11.492 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.868 1.164 12.536 1.00 10.00 H new ATOM 1017 N MET A 82 7.824 0.455 9.307 1.00 10.00 N ATOM 1018 CA MET A 82 7.424 -0.547 8.328 1.00 10.00 C ATOM 1019 C MET A 82 8.579 -1.484 7.997 1.00 10.00 C ATOM 1020 O MET A 82 9.658 -1.041 7.590 1.00 10.00 O ATOM 1021 CB MET A 82 6.929 0.127 7.044 1.00 10.00 C ATOM 1022 CG MET A 82 5.522 0.689 7.144 1.00 10.00 C ATOM 1023 SD MET A 82 4.987 1.478 5.610 1.00 10.00 S ATOM 1024 CE MET A 82 3.278 1.849 5.996 1.00 10.00 C ATOM 0 H MET A 82 8.188 1.317 8.900 1.00 10.00 H new ATOM 0 HA MET A 82 6.615 -1.132 8.765 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.614 0.934 6.782 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.963 -0.597 6.230 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.830 -0.114 7.397 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.480 1.414 7.957 1.00 10.00 H new ATOM 0 HE1 MET A 82 2.811 2.340 5.143 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.746 0.924 6.218 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.236 2.509 6.863 1.00 10.00 H new ATOM 1034 N GLU A 83 8.354 -2.775 8.181 1.00 10.00 N ATOM 1035 CA GLU A 83 9.365 -3.778 7.890 1.00 10.00 C ATOM 1036 C GLU A 83 8.839 -4.775 6.869 1.00 10.00 C ATOM 1037 O GLU A 83 7.733 -4.626 6.347 1.00 10.00 O ATOM 1038 CB GLU A 83 9.757 -4.540 9.156 1.00 10.00 C ATOM 1039 CG GLU A 83 10.302 -3.668 10.270 1.00 10.00 C ATOM 1040 CD GLU A 83 10.886 -4.493 11.396 1.00 10.00 C ATOM 1041 OE1 GLU A 83 12.088 -4.832 11.327 1.00 10.00 O ATOM 1042 OE2 GLU A 83 10.147 -4.817 12.350 1.00 10.00 O ATOM 0 H GLU A 83 7.475 -3.154 8.533 1.00 10.00 H new ATOM 0 HA GLU A 83 10.239 -3.262 7.493 1.00 10.00 H new ATOM 0 HB2 GLU A 83 8.884 -5.078 9.526 1.00 10.00 H new ATOM 0 HB3 GLU A 83 10.506 -5.288 8.897 1.00 10.00 H new ATOM 0 HG2 GLU A 83 11.069 -3.005 9.870 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.504 -3.035 10.659 1.00 10.00 H new ATOM 1049 N GLU A 84 9.641 -5.789 6.589 1.00 10.00 N ATOM 1050 CA GLU A 84 9.255 -6.836 5.663 1.00 10.00 C ATOM 1051 C GLU A 84 8.184 -7.704 6.312 1.00 10.00 C ATOM 1052 O GLU A 84 8.264 -7.993 7.509 1.00 10.00 O ATOM 1053 CB GLU A 84 10.484 -7.673 5.293 1.00 10.00 C ATOM 1054 CG GLU A 84 10.177 -8.907 4.458 1.00 10.00 C ATOM 1055 CD GLU A 84 9.597 -8.575 3.100 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.149 -7.693 2.408 1.00 10.00 O ATOM 1057 OE2 GLU A 84 8.595 -9.210 2.712 1.00 10.00 O ATOM 0 H GLU A 84 10.570 -5.908 6.994 1.00 10.00 H new ATOM 0 HA GLU A 84 8.850 -6.399 4.750 1.00 10.00 H new ATOM 0 HB2 GLU A 84 11.185 -7.044 4.745 1.00 10.00 H new ATOM 0 HB3 GLU A 84 10.985 -7.985 6.209 1.00 10.00 H new ATOM 0 HG2 GLU A 84 11.091 -9.485 4.325 1.00 10.00 H new ATOM 0 HG3 GLU A 84 9.476 -9.541 5.001 1.00 10.00 H new ATOM 1064 N GLU A 85 7.173 -8.080 5.529 1.00 10.00 N ATOM 1065 CA GLU A 85 6.072 -8.914 6.014 1.00 10.00 C ATOM 1066 C GLU A 85 5.181 -8.148 6.989 1.00 10.00 C ATOM 1067 O GLU A 85 4.511 -8.752 7.829 1.00 10.00 O ATOM 1068 CB GLU A 85 6.594 -10.195 6.678 1.00 10.00 C ATOM 1069 CG GLU A 85 6.741 -11.371 5.727 1.00 10.00 C ATOM 1070 CD GLU A 85 5.414 -11.813 5.151 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.714 -12.622 5.794 1.00 10.00 O ATOM 1072 OE2 GLU A 85 5.059 -11.349 4.055 1.00 10.00 O ATOM 0 H GLU A 85 7.093 -7.817 4.547 1.00 10.00 H new ATOM 0 HA GLU A 85 5.475 -9.192 5.145 1.00 10.00 H new ATOM 0 HB2 GLU A 85 7.562 -9.987 7.134 1.00 10.00 H new ATOM 0 HB3 GLU A 85 5.916 -10.476 7.484 1.00 10.00 H new ATOM 0 HG2 GLU A 85 7.414 -11.096 4.915 1.00 10.00 H new ATOM 0 HG3 GLU A 85 7.202 -12.206 6.254 1.00 10.00 H new ATOM 1079 N ASP A 86 5.174 -6.825 6.886 1.00 10.00 N ATOM 1080 CA ASP A 86 4.336 -6.007 7.761 1.00 10.00 C ATOM 1081 C ASP A 86 2.896 -6.039 7.262 1.00 10.00 C ATOM 1082 O ASP A 86 2.656 -6.148 6.056 1.00 10.00 O ATOM 1083 CB ASP A 86 4.845 -4.565 7.837 1.00 10.00 C ATOM 1084 CG ASP A 86 5.020 -4.087 9.269 1.00 10.00 C ATOM 1085 OD1 ASP A 86 4.003 -3.916 9.979 1.00 10.00 O ATOM 1086 OD2 ASP A 86 6.177 -3.876 9.693 1.00 10.00 O ATOM 0 H ASP A 86 5.732 -6.298 6.214 1.00 10.00 H new ATOM 0 HA ASP A 86 4.381 -6.422 8.768 1.00 10.00 H new ATOM 0 HB2 ASP A 86 5.798 -4.491 7.313 1.00 10.00 H new ATOM 0 HB3 ASP A 86 4.145 -3.908 7.320 1.00 10.00 H new ATOM 1091 N VAL A 87 1.944 -5.938 8.175 1.00 10.00 N ATOM 1092 CA VAL A 87 0.533 -6.002 7.813 1.00 10.00 C ATOM 1093 C VAL A 87 -0.108 -4.621 7.714 1.00 10.00 C ATOM 1094 O VAL A 87 0.050 -3.780 8.601 1.00 10.00 O ATOM 1095 CB VAL A 87 -0.262 -6.852 8.827 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -1.698 -7.048 8.359 1.00 10.00 C ATOM 1097 CG2 VAL A 87 0.418 -8.195 9.045 1.00 10.00 C ATOM 0 H VAL A 87 2.120 -5.811 9.172 1.00 10.00 H new ATOM 0 HA VAL A 87 0.495 -6.469 6.829 1.00 10.00 H new ATOM 0 HB VAL A 87 -0.284 -6.318 9.777 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -2.240 -7.650 9.089 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -2.183 -6.077 8.257 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -1.700 -7.557 7.395 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -0.156 -8.781 9.763 1.00 10.00 H new ATOM 0 HG22 VAL A 87 0.473 -8.733 8.099 1.00 10.00 H new ATOM 0 HG23 VAL A 87 1.425 -8.035 9.430 1.00 10.00 H new ATOM 1107 N ILE A 88 -0.823 -4.404 6.619 1.00 10.00 N ATOM 1108 CA ILE A 88 -1.534 -3.160 6.374 1.00 10.00 C ATOM 1109 C ILE A 88 -2.871 -3.488 5.710 1.00 10.00 C ATOM 1110 O ILE A 88 -2.952 -4.409 4.898 1.00 10.00 O ATOM 1111 CB ILE A 88 -0.706 -2.182 5.503 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.414 -0.828 5.390 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -0.434 -2.768 4.121 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.540 0.262 4.810 1.00 10.00 C ATOM 0 H ILE A 88 -0.926 -5.091 5.872 1.00 10.00 H new ATOM 0 HA ILE A 88 -1.705 -2.656 7.325 1.00 10.00 H new ATOM 0 HB ILE A 88 0.255 -2.027 5.993 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.301 -0.942 4.767 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.756 -0.522 6.379 1.00 10.00 H new ATOM 0 HG21 ILE A 88 0.149 -2.059 3.533 1.00 10.00 H new ATOM 0 HG22 ILE A 88 0.124 -3.699 4.224 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.380 -2.966 3.617 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.105 1.193 4.759 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.335 0.403 5.445 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.219 -0.023 3.808 1.00 10.00 H new ATOM 1126 N GLU A 89 -3.922 -2.770 6.073 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.245 -3.037 5.517 1.00 10.00 C ATOM 1128 C GLU A 89 -5.736 -1.868 4.671 1.00 10.00 C ATOM 1129 O GLU A 89 -5.319 -0.729 4.870 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.232 -3.325 6.647 1.00 10.00 C ATOM 1131 CG GLU A 89 -5.718 -4.362 7.636 1.00 10.00 C ATOM 1132 CD GLU A 89 -6.546 -4.439 8.900 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -6.709 -3.400 9.579 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.027 -5.544 9.235 1.00 10.00 O ATOM 0 H GLU A 89 -3.889 -2.003 6.745 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.174 -3.910 4.868 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.447 -2.398 7.179 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.173 -3.673 6.220 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -5.708 -5.340 7.155 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -4.687 -4.125 7.898 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.620 -2.156 3.727 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.166 -1.131 2.850 1.00 10.00 C ATOM 1143 C VAL A 90 -8.694 -1.241 2.761 1.00 10.00 C ATOM 1144 O VAL A 90 -9.243 -2.329 2.576 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.535 -1.210 1.436 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.740 -2.585 0.820 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.096 -0.128 0.528 1.00 10.00 C ATOM 0 H VAL A 90 -6.976 -3.095 3.548 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.916 -0.162 3.281 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.463 -1.044 1.543 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.287 -2.611 -0.171 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.273 -3.340 1.452 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.807 -2.791 0.737 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.637 -0.206 -0.457 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.175 -0.253 0.436 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.879 0.852 0.953 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.374 -0.111 2.918 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.833 -0.072 2.864 1.00 10.00 C ATOM 1159 C TYR A 91 -11.302 1.081 1.986 1.00 10.00 C ATOM 1160 O TYR A 91 -10.511 1.950 1.634 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.414 0.056 4.275 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.301 -1.214 5.086 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.242 -2.225 4.959 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.245 -1.407 5.967 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.136 -3.391 5.689 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.133 -2.570 6.703 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.082 -3.559 6.557 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.974 -4.725 7.275 1.00 10.00 O ATOM 0 H TYR A 91 -8.937 0.795 3.085 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.190 -1.004 2.426 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.900 0.861 4.800 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.464 0.341 4.204 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.071 -2.098 4.278 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.499 -0.634 6.078 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.877 -4.169 5.579 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.308 -2.704 7.388 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.175 -4.688 7.841 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.586 1.092 1.645 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.139 2.139 0.790 1.00 10.00 C ATOM 1180 C GLN A 92 -13.505 3.379 1.597 1.00 10.00 C ATOM 1181 O GLN A 92 -14.028 3.281 2.710 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.373 1.619 0.043 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.887 2.572 -1.028 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.171 2.087 -1.674 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.144 1.375 -2.677 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.307 2.470 -1.108 1.00 10.00 N ATOM 0 H GLN A 92 -13.263 0.391 1.946 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.372 2.418 0.067 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.130 0.663 -0.420 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.170 1.431 0.763 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -15.056 3.553 -0.585 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.123 2.696 -1.795 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.289 3.061 -0.277 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -18.199 2.174 -1.504 1.00 10.00 H new ATOM 1195 N GLU A 93 -13.220 4.544 1.028 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.528 5.813 1.670 1.00 10.00 C ATOM 1197 C GLU A 93 -15.002 6.155 1.484 1.00 10.00 C ATOM 1198 O GLU A 93 -15.629 5.709 0.522 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.661 6.927 1.088 1.00 10.00 C ATOM 1200 CG GLU A 93 -11.239 6.929 1.618 1.00 10.00 C ATOM 1201 CD GLU A 93 -11.133 7.538 3.004 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.627 6.923 3.975 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -10.554 8.635 3.132 1.00 10.00 O ATOM 0 H GLU A 93 -12.772 4.634 0.116 1.00 10.00 H new ATOM 0 HA GLU A 93 -13.317 5.721 2.735 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.635 6.827 0.003 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -13.124 7.889 1.309 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.864 5.906 1.645 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.600 7.484 0.931 1.00 10.00 H new ATOM 1210 N GLN A 94 -15.541 6.958 2.391 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.945 7.353 2.334 1.00 10.00 C ATOM 1212 C GLN A 94 -17.223 8.239 1.122 1.00 10.00 C ATOM 1213 O GLN A 94 -18.312 8.204 0.550 1.00 10.00 O ATOM 1214 CB GLN A 94 -17.327 8.083 3.620 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.774 8.534 3.665 1.00 10.00 C ATOM 1216 CD GLN A 94 -19.019 9.561 4.748 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -18.879 10.764 4.520 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.374 9.099 5.934 1.00 10.00 N ATOM 0 H GLN A 94 -15.026 7.351 3.179 1.00 10.00 H new ATOM 0 HA GLN A 94 -17.551 6.452 2.234 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -17.135 7.427 4.469 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.682 8.954 3.737 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -19.052 8.954 2.698 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -19.417 7.670 3.834 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.479 8.095 6.080 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.543 9.746 6.704 1.00 10.00 H new ATOM 1227 N THR A 95 -16.229 9.023 0.726 1.00 10.00 N ATOM 1228 CA THR A 95 -16.367 9.915 -0.414 1.00 10.00 C ATOM 1229 C THR A 95 -16.431 9.137 -1.724 1.00 10.00 C ATOM 1230 O THR A 95 -16.960 9.627 -2.722 1.00 10.00 O ATOM 1231 CB THR A 95 -15.192 10.905 -0.478 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.961 10.218 -0.207 1.00 10.00 O ATOM 1233 CG2 THR A 95 -15.383 12.037 0.519 1.00 10.00 C ATOM 0 H THR A 95 -15.316 9.058 1.180 1.00 10.00 H new ATOM 0 HA THR A 95 -17.300 10.463 -0.281 1.00 10.00 H new ATOM 0 HB THR A 95 -15.156 11.332 -1.480 1.00 10.00 H new ATOM 0 HG1 THR A 95 -13.216 10.853 -0.251 1.00 10.00 H new ATOM 0 HG21 THR A 95 -14.539 12.724 0.455 1.00 10.00 H new ATOM 0 HG22 THR A 95 -16.305 12.572 0.290 1.00 10.00 H new ATOM 0 HG23 THR A 95 -15.442 11.628 1.527 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.890 7.925 -1.714 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.879 7.109 -2.913 1.00 10.00 C ATOM 1243 C GLY A 96 -14.833 7.578 -3.904 1.00 10.00 C ATOM 1244 O GLY A 96 -14.841 7.174 -5.066 1.00 10.00 O ATOM 0 H GLY A 96 -15.459 7.493 -0.897 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.685 6.071 -2.644 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.863 7.138 -3.382 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.934 8.430 -3.434 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.887 8.956 -4.274 1.00 10.00 C ATOM 1250 C GLY A 97 -12.360 10.261 -3.728 1.00 10.00 C ATOM 1251 O GLY A 97 -11.809 11.059 -4.509 1.00 10.00 O ATOM 0 H GLY A 97 -13.915 8.768 -2.472 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -12.075 8.233 -4.345 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -13.268 9.107 -5.284 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASN B 357 -3.168 -20.178 -2.278 1.00 10.00 N ATOM 1257 CA ASN B 357 -2.466 -19.056 -2.943 1.00 10.00 C ATOM 1258 C ASN B 357 -3.366 -17.823 -2.999 1.00 10.00 C ATOM 1259 O ASN B 357 -4.070 -17.580 -3.978 1.00 10.00 O ATOM 1260 CB ASN B 357 -1.996 -19.455 -4.355 1.00 10.00 C ATOM 1261 CG ASN B 357 -3.104 -19.989 -5.251 1.00 10.00 C ATOM 1262 OD1 ASN B 357 -4.115 -20.517 -4.782 1.00 10.00 O ATOM 1263 ND2 ASN B 357 -2.913 -19.860 -6.554 1.00 10.00 N ATOM 0 HA ASN B 357 -1.581 -18.812 -2.355 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -1.543 -18.587 -4.834 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -1.218 -20.213 -4.267 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -3.616 -20.203 -7.209 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -2.063 -19.417 -6.904 1.00 10.00 H new ATOM 1272 N ASN B 358 -3.350 -17.054 -1.917 1.00 10.00 N ATOM 1273 CA ASN B 358 -4.162 -15.843 -1.810 1.00 10.00 C ATOM 1274 C ASN B 358 -3.283 -14.597 -1.802 1.00 10.00 C ATOM 1275 O ASN B 358 -3.720 -13.515 -1.408 1.00 10.00 O ATOM 1276 CB ASN B 358 -5.017 -15.887 -0.534 1.00 10.00 C ATOM 1277 CG ASN B 358 -4.196 -15.953 0.746 1.00 10.00 C ATOM 1278 OD1 ASN B 358 -3.053 -16.417 0.750 1.00 10.00 O ATOM 1279 ND2 ASN B 358 -4.786 -15.511 1.849 1.00 10.00 N ATOM 0 H ASN B 358 -2.780 -17.248 -1.094 1.00 10.00 H new ATOM 0 HA ASN B 358 -4.818 -15.798 -2.679 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -5.654 -15.003 -0.502 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -5.677 -16.754 -0.578 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -4.293 -15.548 2.741 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -5.733 -15.134 1.805 1.00 10.00 H new ATOM 1286 N ARG B 359 -2.049 -14.754 -2.266 1.00 10.00 N ATOM 1287 CA ARG B 359 -1.094 -13.654 -2.299 1.00 10.00 C ATOM 1288 C ARG B 359 -0.653 -13.353 -3.725 1.00 10.00 C ATOM 1289 O ARG B 359 -0.368 -14.267 -4.500 1.00 10.00 O ATOM 1290 CB ARG B 359 0.120 -13.986 -1.428 1.00 10.00 C ATOM 1291 CG ARG B 359 0.530 -15.450 -1.487 1.00 10.00 C ATOM 1292 CD ARG B 359 1.620 -15.772 -0.480 1.00 10.00 C ATOM 1293 NE ARG B 359 1.266 -15.347 0.872 1.00 10.00 N ATOM 1294 CZ ARG B 359 2.016 -15.575 1.946 1.00 10.00 C ATOM 1295 NH1 ARG B 359 3.159 -16.248 1.836 1.00 10.00 N ATOM 1296 NH2 ARG B 359 1.625 -15.111 3.126 1.00 10.00 N ATOM 0 H ARG B 359 -1.686 -15.636 -2.626 1.00 10.00 H new ATOM 0 HA ARG B 359 -1.585 -12.765 -1.903 1.00 10.00 H new ATOM 0 HB2 ARG B 359 0.962 -13.369 -1.742 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -0.102 -13.721 -0.394 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -0.339 -16.079 -1.295 1.00 10.00 H new ATOM 0 HG3 ARG B 359 0.881 -15.689 -2.491 1.00 10.00 H new ATOM 0 HD2 ARG B 359 1.810 -16.845 -0.483 1.00 10.00 H new ATOM 0 HD3 ARG B 359 2.547 -15.283 -0.782 1.00 10.00 H new ATOM 0 HE ARG B 359 0.388 -14.844 1.000 1.00 10.00 H new ATOM 0 HH11 ARG B 359 3.463 -16.591 0.925 1.00 10.00 H new ATOM 0 HH12 ARG B 359 3.731 -16.420 2.663 1.00 10.00 H new ATOM 0 HH21 ARG B 359 0.755 -14.584 3.204 1.00 10.00 H new ATOM 0 HH22 ARG B 359 2.194 -15.281 3.955 1.00 10.00 H new ATOM 1310 N ASP B 360 -0.609 -12.072 -4.064 1.00 10.00 N ATOM 1311 CA ASP B 360 -0.202 -11.639 -5.400 1.00 10.00 C ATOM 1312 C ASP B 360 0.895 -10.585 -5.300 1.00 10.00 C ATOM 1313 O ASP B 360 0.655 -9.480 -4.807 1.00 10.00 O ATOM 1314 CB ASP B 360 -1.402 -11.069 -6.163 1.00 10.00 C ATOM 1315 CG ASP B 360 -1.124 -10.911 -7.647 1.00 10.00 C ATOM 1316 OD1 ASP B 360 -0.630 -9.845 -8.056 1.00 10.00 O ATOM 1317 OD2 ASP B 360 -1.419 -11.853 -8.410 1.00 10.00 O ATOM 0 H ASP B 360 -0.851 -11.309 -3.432 1.00 10.00 H new ATOM 0 HA ASP B 360 0.183 -12.503 -5.942 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -2.261 -11.725 -6.025 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -1.670 -10.100 -5.741 1.00 10.00 H new ATOM 1322 N PRO B 361 2.119 -10.918 -5.740 1.00 10.00 N ATOM 1323 CA PRO B 361 3.260 -10.000 -5.684 1.00 10.00 C ATOM 1324 C PRO B 361 3.250 -8.952 -6.798 1.00 10.00 C ATOM 1325 O PRO B 361 3.062 -9.275 -7.972 1.00 10.00 O ATOM 1326 CB PRO B 361 4.457 -10.937 -5.836 1.00 10.00 C ATOM 1327 CG PRO B 361 3.951 -12.082 -6.641 1.00 10.00 C ATOM 1328 CD PRO B 361 2.488 -12.225 -6.319 1.00 10.00 C ATOM 0 HA PRO B 361 3.262 -9.412 -4.766 1.00 10.00 H new ATOM 0 HB2 PRO B 361 5.287 -10.439 -6.337 1.00 10.00 H new ATOM 0 HB3 PRO B 361 4.824 -11.269 -4.865 1.00 10.00 H new ATOM 0 HG2 PRO B 361 4.097 -11.901 -7.706 1.00 10.00 H new ATOM 0 HG3 PRO B 361 4.492 -12.996 -6.396 1.00 10.00 H new ATOM 0 HD2 PRO B 361 1.903 -12.445 -7.212 1.00 10.00 H new ATOM 0 HD3 PRO B 361 2.312 -13.038 -5.614 1.00 10.00 H new ATOM 1336 N ILE B 362 3.468 -7.694 -6.422 1.00 10.00 N ATOM 1337 CA ILE B 362 3.478 -6.600 -7.385 1.00 10.00 C ATOM 1338 C ILE B 362 4.730 -5.741 -7.247 1.00 10.00 C ATOM 1339 O ILE B 362 5.031 -5.245 -6.165 1.00 10.00 O ATOM 1340 CB ILE B 362 2.237 -5.692 -7.237 1.00 10.00 C ATOM 1341 CG1 ILE B 362 0.976 -6.528 -7.011 1.00 10.00 C ATOM 1342 CG2 ILE B 362 2.076 -4.817 -8.471 1.00 10.00 C ATOM 1343 CD1 ILE B 362 -0.250 -5.705 -6.699 1.00 10.00 C ATOM 0 H ILE B 362 3.640 -7.409 -5.458 1.00 10.00 H new ATOM 0 HA ILE B 362 3.465 -7.066 -8.370 1.00 10.00 H new ATOM 0 HB ILE B 362 2.382 -5.051 -6.367 1.00 10.00 H new ATOM 0 HG12 ILE B 362 0.784 -7.127 -7.901 1.00 10.00 H new ATOM 0 HG13 ILE B 362 1.154 -7.224 -6.191 1.00 10.00 H new ATOM 0 HG21 ILE B 362 1.198 -4.182 -8.355 1.00 10.00 H new ATOM 0 HG22 ILE B 362 2.962 -4.193 -8.593 1.00 10.00 H new ATOM 0 HG23 ILE B 362 1.953 -5.448 -9.351 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -1.104 -6.366 -6.551 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -0.078 -5.126 -5.792 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -0.454 -5.028 -7.528 1.00 10.00 H new ATOM 1355 N VAL B 363 5.454 -5.582 -8.347 1.00 10.00 N ATOM 1356 CA VAL B 363 6.668 -4.774 -8.368 1.00 10.00 C ATOM 1357 C VAL B 363 6.593 -3.746 -9.495 1.00 10.00 C ATOM 1358 O VAL B 363 6.689 -4.096 -10.676 1.00 10.00 O ATOM 1359 CB VAL B 363 7.935 -5.636 -8.556 1.00 10.00 C ATOM 1360 CG1 VAL B 363 9.189 -4.821 -8.267 1.00 10.00 C ATOM 1361 CG2 VAL B 363 7.889 -6.879 -7.677 1.00 10.00 C ATOM 0 H VAL B 363 5.219 -6.006 -9.245 1.00 10.00 H new ATOM 0 HA VAL B 363 6.737 -4.272 -7.403 1.00 10.00 H new ATOM 0 HB VAL B 363 7.967 -5.961 -9.596 1.00 10.00 H new ATOM 0 HG11 VAL B 363 10.070 -5.448 -8.405 1.00 10.00 H new ATOM 0 HG12 VAL B 363 9.237 -3.972 -8.949 1.00 10.00 H new ATOM 0 HG13 VAL B 363 9.159 -4.459 -7.239 1.00 10.00 H new ATOM 0 HG21 VAL B 363 8.794 -7.467 -7.830 1.00 10.00 H new ATOM 0 HG22 VAL B 363 7.822 -6.582 -6.630 1.00 10.00 H new ATOM 0 HG23 VAL B 363 7.018 -7.479 -7.940 1.00 10.00 H new ATOM 1371 N ILE B 364 6.416 -2.482 -9.135 1.00 10.00 N ATOM 1372 CA ILE B 364 6.310 -1.411 -10.123 1.00 10.00 C ATOM 1373 C ILE B 364 7.667 -0.771 -10.406 1.00 10.00 C ATOM 1374 O ILE B 364 8.697 -1.224 -9.906 1.00 10.00 O ATOM 1375 CB ILE B 364 5.325 -0.317 -9.665 1.00 10.00 C ATOM 1376 CG1 ILE B 364 5.779 0.284 -8.330 1.00 10.00 C ATOM 1377 CG2 ILE B 364 3.915 -0.884 -9.552 1.00 10.00 C ATOM 1378 CD1 ILE B 364 5.231 1.671 -8.069 1.00 10.00 C ATOM 0 H ILE B 364 6.342 -2.171 -8.166 1.00 10.00 H new ATOM 0 HA ILE B 364 5.936 -1.870 -11.038 1.00 10.00 H new ATOM 0 HB ILE B 364 5.314 0.477 -10.411 1.00 10.00 H new ATOM 0 HG12 ILE B 364 5.470 -0.377 -7.520 1.00 10.00 H new ATOM 0 HG13 ILE B 364 6.868 0.324 -8.311 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.232 -0.099 -9.228 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.597 -1.264 -10.523 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.906 -1.696 -8.825 1.00 10.00 H new ATOM 0 HD11 ILE B 364 5.595 2.031 -7.107 1.00 10.00 H new ATOM 0 HD12 ILE B 364 5.561 2.347 -8.858 1.00 10.00 H new ATOM 0 HD13 ILE B 364 4.142 1.635 -8.054 1.00 10.00 H new ATOM 1390 N SER B 365 7.654 0.285 -11.209 1.00 10.00 N ATOM 1391 CA SER B 365 8.870 0.996 -11.573 1.00 10.00 C ATOM 1392 C SER B 365 9.092 2.202 -10.661 1.00 10.00 C ATOM 1393 O SER B 365 8.139 2.748 -10.102 1.00 10.00 O ATOM 1394 CB SER B 365 8.782 1.443 -13.033 1.00 10.00 C ATOM 1395 OG SER B 365 7.432 1.666 -13.417 1.00 10.00 O ATOM 0 H SER B 365 6.805 0.670 -11.624 1.00 10.00 H new ATOM 0 HA SER B 365 9.719 0.323 -11.451 1.00 10.00 H new ATOM 0 HB2 SER B 365 9.359 2.357 -13.173 1.00 10.00 H new ATOM 0 HB3 SER B 365 9.226 0.684 -13.677 1.00 10.00 H new ATOM 0 HG SER B 365 7.401 1.953 -14.354 1.00 10.00 H new ATOM 1401 N ASP B 366 10.346 2.617 -10.528 1.00 10.00 N ATOM 1402 CA ASP B 366 10.705 3.757 -9.685 1.00 10.00 C ATOM 1403 C ASP B 366 11.313 4.870 -10.534 1.00 10.00 C ATOM 1404 O ASP B 366 12.500 4.835 -10.872 1.00 10.00 O ATOM 1405 CB ASP B 366 11.688 3.311 -8.597 1.00 10.00 C ATOM 1406 CG ASP B 366 12.102 4.436 -7.666 1.00 10.00 C ATOM 1407 OD1 ASP B 366 13.312 4.519 -7.333 1.00 10.00 O ATOM 1408 OD2 ASP B 366 11.232 5.227 -7.257 1.00 10.00 O ATOM 0 H ASP B 366 11.139 2.179 -10.996 1.00 10.00 H new ATOM 0 HA ASP B 366 9.805 4.143 -9.206 1.00 10.00 H new ATOM 0 HB2 ASP B 366 11.233 2.512 -8.011 1.00 10.00 H new ATOM 0 HB3 ASP B 366 12.577 2.893 -9.069 1.00 10.00 H new ATOM 1413 N SER B 367 10.489 5.838 -10.906 1.00 10.00 N ATOM 1414 CA SER B 367 10.938 6.958 -11.723 1.00 10.00 C ATOM 1415 C SER B 367 10.530 8.293 -11.094 1.00 10.00 C ATOM 1416 O SER B 367 9.351 8.660 -11.113 1.00 10.00 O ATOM 1417 CB SER B 367 10.349 6.839 -13.131 1.00 10.00 C ATOM 1418 OG SER B 367 10.263 5.481 -13.534 1.00 10.00 O ATOM 0 H SER B 367 9.501 5.871 -10.654 1.00 10.00 H new ATOM 0 HA SER B 367 12.026 6.929 -11.782 1.00 10.00 H new ATOM 0 HB2 SER B 367 9.358 7.292 -13.154 1.00 10.00 H new ATOM 0 HB3 SER B 367 10.969 7.393 -13.836 1.00 10.00 H new ATOM 0 HG SER B 367 9.882 5.431 -14.436 1.00 10.00 H new ATOM 1424 N PRO B 368 11.493 9.024 -10.511 1.00 10.00 N ATOM 1425 CA PRO B 368 11.235 10.324 -9.879 1.00 10.00 C ATOM 1426 C PRO B 368 10.922 11.408 -10.906 1.00 10.00 C ATOM 1427 O PRO B 368 11.500 11.363 -12.012 1.00 10.00 O ATOM 1428 CB PRO B 368 12.549 10.651 -9.149 1.00 10.00 C ATOM 1429 CG PRO B 368 13.362 9.400 -9.192 1.00 10.00 C ATOM 1430 CD PRO B 368 12.909 8.649 -10.408 1.00 10.00 C ATOM 1431 OXT PRO B 368 10.110 12.308 -10.604 1.00 10.00 O ATOM 0 HA PRO B 368 10.369 10.284 -9.218 1.00 10.00 H new ATOM 0 HB2 PRO B 368 13.072 11.474 -9.636 1.00 10.00 H new ATOM 0 HB3 PRO B 368 12.359 10.958 -8.121 1.00 10.00 H new ATOM 0 HG2 PRO B 368 14.426 9.629 -9.250 1.00 10.00 H new ATOM 0 HG3 PRO B 368 13.212 8.807 -8.290 1.00 10.00 H new ATOM 0 HD2 PRO B 368 13.470 8.940 -11.296 1.00 10.00 H new ATOM 0 HD3 PRO B 368 13.035 7.573 -10.289 1.00 10.00 H new TER 1439 PRO B 368