USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -3.22 X(o=-7,f=-7.3) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.8 K(o=-7,f=-14!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.104 (180deg=-0.524) USER MOD Single : A 1 MET N :NH3+ -165:sc= -4.59! (180deg=-5.75!) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc=-0.00555 (180deg=-0.0711) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 9 SER OG : rot 65:sc= 0.999 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 HIS : no HD1:sc= -1.48 K(o=-1.5,f=0.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.861 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -0.618 (180deg=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.37 K(o=-1.4,f=-4!) USER MOD Single : A 35 ASN : amide:sc= 0.138 K(o=0.14,f=-2.9!) USER MOD Single : A 37 MET CE :methyl 178:sc= -3.74 (180deg=-3.88) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= 0.408 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00964) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 60 GLN : amide:sc= -1.85 K(o=-1.9,f=-9.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.786 USER MOD Single : A 81 GLN : amide:sc= 0.369 K(o=0.37,f=-5.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.925 -0.236 -4.611 1.00 0.00 N ATOM 2 CA MET A 1 -10.549 -0.724 -4.900 1.00 0.00 C ATOM 3 C MET A 1 -9.487 0.021 -4.115 1.00 0.00 C ATOM 4 O MET A 1 -9.176 1.175 -4.400 1.00 0.00 O ATOM 5 CB MET A 1 -10.282 -0.571 -6.390 1.00 0.00 C ATOM 6 CG MET A 1 -9.083 -1.355 -6.890 1.00 0.00 C ATOM 7 SD MET A 1 -8.806 -1.138 -8.658 1.00 0.00 S ATOM 8 CE MET A 1 -10.275 -1.912 -9.329 1.00 0.00 C ATOM 0 H1 MET A 1 -12.619 -0.925 -4.964 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.044 -0.120 -3.584 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.075 0.679 -5.083 1.00 0.00 H new ATOM 0 HA MET A 1 -10.494 -1.769 -4.596 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.167 -0.891 -6.941 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.131 0.485 -6.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.193 -1.040 -6.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.230 -2.414 -6.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.108 -2.163 -10.376 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.496 -2.821 -8.769 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.117 -1.224 -9.251 1.00 0.00 H new ATOM 20 N PHE A 2 -8.906 -0.664 -3.143 1.00 0.00 N ATOM 21 CA PHE A 2 -7.855 -0.080 -2.332 1.00 0.00 C ATOM 22 C PHE A 2 -6.539 -0.082 -3.094 1.00 0.00 C ATOM 23 O PHE A 2 -6.264 -0.992 -3.875 1.00 0.00 O ATOM 24 CB PHE A 2 -7.712 -0.847 -1.021 1.00 0.00 C ATOM 25 CG PHE A 2 -8.895 -0.686 -0.112 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.005 -1.504 -0.251 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.901 0.286 0.873 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.099 -1.355 0.579 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.992 0.441 1.706 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.093 -0.382 1.559 1.00 0.00 C ATOM 0 H PHE A 2 -9.146 -1.625 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.122 0.952 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.571 -1.905 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.815 -0.506 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.015 -2.266 -1.016 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.043 0.931 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.958 -1.999 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.985 1.204 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.947 -0.264 2.209 1.00 0.00 H new ATOM 40 N LYS A 3 -5.733 0.945 -2.872 1.00 0.00 N ATOM 41 CA LYS A 3 -4.449 1.063 -3.545 1.00 0.00 C ATOM 42 C LYS A 3 -3.311 0.805 -2.571 1.00 0.00 C ATOM 43 O LYS A 3 -3.178 1.497 -1.564 1.00 0.00 O ATOM 44 CB LYS A 3 -4.303 2.452 -4.168 1.00 0.00 C ATOM 45 CG LYS A 3 -4.962 2.581 -5.532 1.00 0.00 C ATOM 46 CD LYS A 3 -6.402 3.058 -5.413 1.00 0.00 C ATOM 47 CE LYS A 3 -6.556 4.493 -5.892 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.392 4.606 -7.368 1.00 0.00 N ATOM 0 H LYS A 3 -5.946 1.709 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.405 0.315 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.736 3.191 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.243 2.689 -4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.395 3.281 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.938 1.618 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.051 2.407 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.726 2.983 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.539 4.868 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.818 5.123 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.764 5.523 -7.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.383 4.537 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.914 3.838 -7.835 1.00 0.00 H new ATOM 62 N VAL A 4 -2.495 -0.198 -2.864 1.00 0.00 N ATOM 63 CA VAL A 4 -1.376 -0.525 -1.991 1.00 0.00 C ATOM 64 C VAL A 4 -0.049 -0.071 -2.580 1.00 0.00 C ATOM 65 O VAL A 4 0.269 -0.356 -3.735 1.00 0.00 O ATOM 66 CB VAL A 4 -1.297 -2.035 -1.680 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.099 -2.422 -1.212 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.315 -2.411 -0.625 1.00 0.00 C ATOM 0 H VAL A 4 -2.584 -0.792 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.560 0.014 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.518 -2.579 -2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.128 -3.491 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.823 -2.187 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.347 -1.865 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.246 -3.479 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.117 -1.850 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.316 -2.175 -0.985 1.00 0.00 H new ATOM 78 N TYR A 5 0.730 0.612 -1.754 1.00 0.00 N ATOM 79 CA TYR A 5 2.043 1.091 -2.150 1.00 0.00 C ATOM 80 C TYR A 5 3.109 0.244 -1.472 1.00 0.00 C ATOM 81 O TYR A 5 3.421 0.454 -0.303 1.00 0.00 O ATOM 82 CB TYR A 5 2.229 2.557 -1.746 1.00 0.00 C ATOM 83 CG TYR A 5 1.534 3.557 -2.645 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.374 3.227 -3.335 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.043 4.839 -2.797 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.257 4.149 -4.150 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.420 5.765 -3.609 1.00 0.00 C ATOM 88 CZ TYR A 5 0.270 5.415 -4.283 1.00 0.00 C ATOM 89 OH TYR A 5 -0.355 6.335 -5.094 1.00 0.00 O ATOM 0 H TYR A 5 0.470 0.848 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 5 2.133 1.013 -3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.862 2.688 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.295 2.783 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.041 2.235 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.944 5.117 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.158 3.878 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.831 6.758 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 5 0.144 7.178 -5.077 1.00 0.00 H new ATOM 99 N GLY A 6 3.654 -0.724 -2.195 1.00 0.00 N ATOM 100 CA GLY A 6 4.665 -1.582 -1.616 1.00 0.00 C ATOM 101 C GLY A 6 5.475 -2.319 -2.658 1.00 0.00 C ATOM 102 O GLY A 6 5.875 -1.741 -3.669 1.00 0.00 O ATOM 0 H GLY A 6 3.416 -0.929 -3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.334 -0.982 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.186 -2.305 -0.956 1.00 0.00 H new ATOM 106 N TYR A 7 5.735 -3.594 -2.401 1.00 0.00 N ATOM 107 CA TYR A 7 6.517 -4.413 -3.300 1.00 0.00 C ATOM 108 C TYR A 7 5.788 -5.707 -3.652 1.00 0.00 C ATOM 109 O TYR A 7 4.905 -6.151 -2.920 1.00 0.00 O ATOM 110 CB TYR A 7 7.848 -4.716 -2.639 1.00 0.00 C ATOM 111 CG TYR A 7 8.605 -3.464 -2.274 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.278 -2.739 -3.243 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.627 -2.998 -0.967 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.959 -1.584 -2.922 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.304 -1.841 -0.637 1.00 0.00 C ATOM 116 CZ TYR A 7 9.969 -1.136 -1.617 1.00 0.00 C ATOM 117 OH TYR A 7 10.646 0.017 -1.294 1.00 0.00 O ATOM 0 H TYR A 7 5.409 -4.082 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 7 6.676 -3.871 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.678 -5.310 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.455 -5.322 -3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.269 -3.084 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.107 -3.548 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.482 -1.032 -3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.312 -1.490 0.384 1.00 0.00 H new ATOM 0 HH TYR A 7 10.553 0.193 -0.334 1.00 0.00 H new ATOM 127 N ASP A 8 6.163 -6.308 -4.777 1.00 0.00 N ATOM 128 CA ASP A 8 5.540 -7.552 -5.220 1.00 0.00 C ATOM 129 C ASP A 8 6.253 -8.766 -4.628 1.00 0.00 C ATOM 130 O ASP A 8 5.693 -9.474 -3.792 1.00 0.00 O ATOM 131 CB ASP A 8 5.519 -7.644 -6.752 1.00 0.00 C ATOM 132 CG ASP A 8 6.786 -7.115 -7.400 1.00 0.00 C ATOM 133 OD1 ASP A 8 7.164 -5.960 -7.112 1.00 0.00 O ATOM 134 OD2 ASP A 8 7.399 -7.855 -8.198 1.00 0.00 O ATOM 0 H ASP A 8 6.892 -5.956 -5.397 1.00 0.00 H new ATOM 0 HA ASP A 8 4.511 -7.549 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.376 -8.684 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.664 -7.085 -7.132 1.00 0.00 H new ATOM 139 N SER A 9 7.491 -9.002 -5.064 1.00 0.00 N ATOM 140 CA SER A 9 8.282 -10.131 -4.574 1.00 0.00 C ATOM 141 C SER A 9 9.506 -10.361 -5.455 1.00 0.00 C ATOM 142 O SER A 9 10.559 -10.784 -4.979 1.00 0.00 O ATOM 143 CB SER A 9 7.436 -11.409 -4.530 1.00 0.00 C ATOM 144 OG SER A 9 6.968 -11.665 -3.217 1.00 0.00 O ATOM 0 H SER A 9 7.968 -8.425 -5.757 1.00 0.00 H new ATOM 0 HA SER A 9 8.613 -9.888 -3.564 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.589 -11.312 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.029 -12.254 -4.879 1.00 0.00 H new ATOM 0 HG SER A 9 6.351 -10.954 -2.945 1.00 0.00 H new ATOM 150 N ASN A 10 9.353 -10.086 -6.747 1.00 0.00 N ATOM 151 CA ASN A 10 10.436 -10.268 -7.706 1.00 0.00 C ATOM 152 C ASN A 10 11.527 -9.219 -7.523 1.00 0.00 C ATOM 153 O ASN A 10 12.716 -9.530 -7.590 1.00 0.00 O ATOM 154 CB ASN A 10 9.893 -10.201 -9.134 1.00 0.00 C ATOM 155 CG ASN A 10 10.737 -10.996 -10.109 1.00 0.00 C ATOM 156 OD1 ASN A 10 11.920 -10.712 -10.297 1.00 0.00 O ATOM 157 ND2 ASN A 10 10.132 -11.998 -10.733 1.00 0.00 N ATOM 0 H ASN A 10 8.486 -9.735 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 10 10.874 -11.250 -7.527 1.00 0.00 H new ATOM 0 HB2 ASN A 10 8.871 -10.579 -9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.853 -9.161 -9.456 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.650 -12.570 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.149 -12.197 -10.545 1.00 0.00 H new ATOM 164 N ILE A 11 11.118 -7.976 -7.302 1.00 0.00 N ATOM 165 CA ILE A 11 12.067 -6.887 -7.120 1.00 0.00 C ATOM 166 C ILE A 11 12.446 -6.731 -5.653 1.00 0.00 C ATOM 167 O ILE A 11 13.605 -6.473 -5.326 1.00 0.00 O ATOM 168 CB ILE A 11 11.494 -5.551 -7.637 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.137 -5.661 -9.120 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.483 -4.417 -7.403 1.00 0.00 C ATOM 171 CD1 ILE A 11 12.339 -5.773 -10.032 1.00 0.00 C ATOM 0 H ILE A 11 10.138 -7.698 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 11 12.956 -7.140 -7.698 1.00 0.00 H new ATOM 0 HB ILE A 11 10.584 -5.328 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.499 -6.533 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.554 -4.787 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.061 -3.483 -7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.685 -4.325 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.412 -4.630 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.005 -5.847 -11.067 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.967 -4.890 -9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.912 -6.663 -9.771 1.00 0.00 H new ATOM 183 N HIS A 12 11.464 -6.886 -4.777 1.00 0.00 N ATOM 184 CA HIS A 12 11.694 -6.760 -3.350 1.00 0.00 C ATOM 185 C HIS A 12 10.718 -7.639 -2.576 1.00 0.00 C ATOM 186 O HIS A 12 9.634 -7.959 -3.065 1.00 0.00 O ATOM 187 CB HIS A 12 11.561 -5.297 -2.928 1.00 0.00 C ATOM 188 CG HIS A 12 12.255 -4.967 -1.644 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.544 -5.348 -1.352 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.820 -4.260 -0.572 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.845 -4.877 -0.133 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.831 -4.209 0.382 1.00 0.00 N ATOM 0 H HIS A 12 10.500 -7.099 -5.032 1.00 0.00 H new ATOM 0 HA HIS A 12 12.706 -7.096 -3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.963 -4.664 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.503 -5.053 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.844 -3.808 -0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.793 -5.025 0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.796 -3.750 1.292 1.00 0.00 H new ATOM 200 N LYS A 13 11.118 -8.042 -1.378 1.00 0.00 N ATOM 201 CA LYS A 13 10.285 -8.902 -0.544 1.00 0.00 C ATOM 202 C LYS A 13 9.155 -8.118 0.118 1.00 0.00 C ATOM 203 O LYS A 13 9.200 -6.890 0.199 1.00 0.00 O ATOM 204 CB LYS A 13 11.143 -9.597 0.520 1.00 0.00 C ATOM 205 CG LYS A 13 11.564 -8.686 1.667 1.00 0.00 C ATOM 206 CD LYS A 13 12.409 -9.431 2.690 1.00 0.00 C ATOM 207 CE LYS A 13 12.107 -8.969 4.108 1.00 0.00 C ATOM 208 NZ LYS A 13 12.126 -10.102 5.076 1.00 0.00 N ATOM 0 H LYS A 13 12.013 -7.788 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 13 9.833 -9.655 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.587 -10.442 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.036 -10.002 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.129 -7.841 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.678 -8.278 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.221 -10.502 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.466 -9.275 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.840 -8.221 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.130 -8.486 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.916 -9.747 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.409 -10.804 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.066 -10.547 5.071 1.00 0.00 H new ATOM 222 N CYS A 14 8.147 -8.841 0.598 1.00 0.00 N ATOM 223 CA CYS A 14 7.006 -8.226 1.265 1.00 0.00 C ATOM 224 C CYS A 14 6.102 -9.289 1.882 1.00 0.00 C ATOM 225 O CYS A 14 5.410 -10.016 1.170 1.00 0.00 O ATOM 226 CB CYS A 14 6.204 -7.364 0.288 1.00 0.00 C ATOM 227 SG CYS A 14 4.966 -6.297 1.097 1.00 0.00 S ATOM 0 H CYS A 14 8.098 -9.858 0.536 1.00 0.00 H new ATOM 0 HA CYS A 14 7.390 -7.588 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.893 -6.739 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.699 -8.014 -0.426 1.00 0.00 H new ATOM 232 N VAL A 15 6.117 -9.375 3.209 1.00 0.00 N ATOM 233 CA VAL A 15 5.300 -10.353 3.923 1.00 0.00 C ATOM 234 C VAL A 15 3.921 -9.789 4.238 1.00 0.00 C ATOM 235 O VAL A 15 2.921 -10.506 4.196 1.00 0.00 O ATOM 236 CB VAL A 15 5.970 -10.799 5.237 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.158 -11.703 4.951 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.397 -9.593 6.060 1.00 0.00 C ATOM 0 H VAL A 15 6.685 -8.780 3.812 1.00 0.00 H new ATOM 0 HA VAL A 15 5.198 -11.217 3.266 1.00 0.00 H new ATOM 0 HB VAL A 15 5.241 -11.365 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.618 -12.008 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.821 -12.587 4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.888 -11.164 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.868 -9.931 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.107 -8.995 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.523 -8.988 6.299 1.00 0.00 H new ATOM 248 N TYR A 16 3.878 -8.500 4.555 1.00 0.00 N ATOM 249 CA TYR A 16 2.621 -7.835 4.877 1.00 0.00 C ATOM 250 C TYR A 16 1.731 -7.722 3.644 1.00 0.00 C ATOM 251 O TYR A 16 0.519 -7.535 3.757 1.00 0.00 O ATOM 252 CB TYR A 16 2.890 -6.449 5.466 1.00 0.00 C ATOM 253 CG TYR A 16 2.948 -6.441 6.976 1.00 0.00 C ATOM 254 CD1 TYR A 16 1.783 -6.449 7.733 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.165 -6.430 7.645 1.00 0.00 C ATOM 256 CE1 TYR A 16 1.830 -6.445 9.113 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.221 -6.426 9.025 1.00 0.00 C ATOM 258 CZ TYR A 16 3.051 -6.433 9.755 1.00 0.00 C ATOM 259 OH TYR A 16 3.101 -6.428 11.130 1.00 0.00 O ATOM 0 H TYR A 16 4.698 -7.895 4.596 1.00 0.00 H new ATOM 0 HA TYR A 16 2.098 -8.438 5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.833 -6.071 5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.109 -5.764 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.825 -6.459 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.083 -6.424 7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.915 -6.451 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.176 -6.417 9.530 1.00 0.00 H new ATOM 0 HH TYR A 16 4.036 -6.421 11.423 1.00 0.00 H new ATOM 269 N CYS A 17 2.335 -7.838 2.464 1.00 0.00 N ATOM 270 CA CYS A 17 1.587 -7.756 1.218 1.00 0.00 C ATOM 271 C CYS A 17 0.604 -8.917 1.114 1.00 0.00 C ATOM 272 O CYS A 17 -0.598 -8.715 0.947 1.00 0.00 O ATOM 273 CB CYS A 17 2.540 -7.772 0.019 1.00 0.00 C ATOM 274 SG CYS A 17 3.442 -6.209 -0.241 1.00 0.00 S ATOM 0 H CYS A 17 3.337 -7.989 2.347 1.00 0.00 H new ATOM 0 HA CYS A 17 1.031 -6.819 1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.262 -8.577 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.970 -8.003 -0.881 1.00 0.00 H new ATOM 279 N ASP A 18 1.128 -10.133 1.221 1.00 0.00 N ATOM 280 CA ASP A 18 0.308 -11.337 1.142 1.00 0.00 C ATOM 281 C ASP A 18 -0.786 -11.330 2.208 1.00 0.00 C ATOM 282 O ASP A 18 -1.876 -11.860 1.994 1.00 0.00 O ATOM 283 CB ASP A 18 1.182 -12.582 1.312 1.00 0.00 C ATOM 284 CG ASP A 18 0.604 -13.795 0.608 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.451 -14.292 1.053 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.208 -14.247 -0.388 1.00 0.00 O ATOM 0 H ASP A 18 2.122 -10.312 1.363 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.166 -11.356 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.179 -12.379 0.921 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.295 -12.801 2.374 1.00 0.00 H new ATOM 291 N ASN A 19 -0.484 -10.737 3.359 1.00 0.00 N ATOM 292 CA ASN A 19 -1.442 -10.674 4.458 1.00 0.00 C ATOM 293 C ASN A 19 -2.618 -9.763 4.116 1.00 0.00 C ATOM 294 O ASN A 19 -3.771 -10.195 4.126 1.00 0.00 O ATOM 295 CB ASN A 19 -0.754 -10.189 5.738 1.00 0.00 C ATOM 296 CG ASN A 19 0.553 -10.915 6.011 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.501 -10.332 6.534 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.610 -12.196 5.661 1.00 0.00 N ATOM 0 H ASN A 19 0.414 -10.294 3.555 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.829 -11.680 4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.561 -9.119 5.659 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.427 -10.330 6.584 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.462 -12.732 5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.199 -12.643 5.229 1.00 0.00 H new ATOM 305 N ALA A 20 -2.323 -8.502 3.816 1.00 0.00 N ATOM 306 CA ALA A 20 -3.360 -7.534 3.474 1.00 0.00 C ATOM 307 C ALA A 20 -4.256 -8.054 2.355 1.00 0.00 C ATOM 308 O ALA A 20 -5.477 -7.913 2.406 1.00 0.00 O ATOM 309 CB ALA A 20 -2.730 -6.209 3.075 1.00 0.00 C ATOM 0 H ALA A 20 -1.375 -8.126 3.803 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.982 -7.380 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.514 -5.495 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.141 -5.822 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.083 -6.359 2.210 1.00 0.00 H new ATOM 315 N LYS A 21 -3.641 -8.668 1.348 1.00 0.00 N ATOM 316 CA LYS A 21 -4.384 -9.215 0.217 1.00 0.00 C ATOM 317 C LYS A 21 -5.440 -10.206 0.693 1.00 0.00 C ATOM 318 O LYS A 21 -6.612 -10.104 0.329 1.00 0.00 O ATOM 319 CB LYS A 21 -3.427 -9.903 -0.760 1.00 0.00 C ATOM 320 CG LYS A 21 -3.964 -9.995 -2.178 1.00 0.00 C ATOM 321 CD LYS A 21 -5.043 -11.059 -2.300 1.00 0.00 C ATOM 322 CE LYS A 21 -5.458 -11.269 -3.747 1.00 0.00 C ATOM 323 NZ LYS A 21 -5.697 -12.706 -4.054 1.00 0.00 N ATOM 0 H LYS A 21 -2.631 -8.799 1.292 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.885 -8.392 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.482 -9.359 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.211 -10.908 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.370 -9.029 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.147 -10.224 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.677 -11.998 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.912 -10.767 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.364 -10.699 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.682 -10.881 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.978 -12.806 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.825 -13.247 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.455 -13.070 -3.442 1.00 0.00 H new ATOM 337 N ARG A 22 -5.016 -11.159 1.517 1.00 0.00 N ATOM 338 CA ARG A 22 -5.925 -12.168 2.050 1.00 0.00 C ATOM 339 C ARG A 22 -7.034 -11.513 2.866 1.00 0.00 C ATOM 340 O ARG A 22 -8.198 -11.905 2.780 1.00 0.00 O ATOM 341 CB ARG A 22 -5.159 -13.169 2.918 1.00 0.00 C ATOM 342 CG ARG A 22 -4.621 -14.360 2.141 1.00 0.00 C ATOM 343 CD ARG A 22 -4.538 -15.602 3.013 1.00 0.00 C ATOM 344 NE ARG A 22 -3.418 -16.461 2.637 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.278 -17.719 3.047 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.185 -18.270 3.845 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.229 -18.430 2.657 1.00 0.00 N ATOM 0 H ARG A 22 -4.050 -11.254 1.830 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.376 -12.699 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.328 -12.656 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.816 -13.529 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.265 -14.558 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.632 -14.123 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.433 -15.306 4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.469 -16.164 2.933 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.701 -16.074 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.995 -17.728 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.072 -19.235 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.530 -18.013 2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.121 -19.394 2.971 1.00 0.00 H new ATOM 361 N LEU A 23 -6.663 -10.506 3.650 1.00 0.00 N ATOM 362 CA LEU A 23 -7.621 -9.783 4.478 1.00 0.00 C ATOM 363 C LEU A 23 -8.733 -9.196 3.616 1.00 0.00 C ATOM 364 O LEU A 23 -9.917 -9.404 3.884 1.00 0.00 O ATOM 365 CB LEU A 23 -6.904 -8.671 5.255 1.00 0.00 C ATOM 366 CG LEU A 23 -7.810 -7.598 5.867 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.123 -6.940 7.053 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.184 -6.555 4.822 1.00 0.00 C ATOM 0 H LEU A 23 -5.703 -10.171 3.729 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.068 -10.478 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.323 -9.129 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.196 -8.183 4.585 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.725 -8.076 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.779 -6.180 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.903 -7.693 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.194 -6.475 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.828 -5.801 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.280 -6.080 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.713 -7.037 4.000 1.00 0.00 H new ATOM 380 N LEU A 24 -8.342 -8.468 2.576 1.00 0.00 N ATOM 381 CA LEU A 24 -9.302 -7.852 1.669 1.00 0.00 C ATOM 382 C LEU A 24 -10.180 -8.913 1.017 1.00 0.00 C ATOM 383 O LEU A 24 -11.406 -8.810 1.024 1.00 0.00 O ATOM 384 CB LEU A 24 -8.575 -7.044 0.596 1.00 0.00 C ATOM 385 CG LEU A 24 -7.916 -5.758 1.096 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.603 -5.514 0.372 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.851 -4.576 0.912 1.00 0.00 C ATOM 0 H LEU A 24 -7.366 -8.290 2.340 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.937 -7.181 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.810 -7.675 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.286 -6.789 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.706 -5.871 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.149 -4.594 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.927 -6.350 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.789 -5.422 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.366 -3.669 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.091 -4.463 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.768 -4.746 1.476 1.00 0.00 H new ATOM 399 N THR A 25 -9.543 -9.940 0.460 1.00 0.00 N ATOM 400 CA THR A 25 -10.267 -11.027 -0.187 1.00 0.00 C ATOM 401 C THR A 25 -11.313 -11.605 0.761 1.00 0.00 C ATOM 402 O THR A 25 -12.424 -11.944 0.350 1.00 0.00 O ATOM 403 CB THR A 25 -9.297 -12.125 -0.629 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.181 -11.569 -1.300 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.927 -13.144 -1.553 1.00 0.00 C ATOM 0 H THR A 25 -8.528 -10.041 0.444 1.00 0.00 H new ATOM 0 HA THR A 25 -10.771 -10.629 -1.068 1.00 0.00 H new ATOM 0 HB THR A 25 -8.995 -12.629 0.289 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.549 -11.212 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.185 -13.894 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.761 -13.628 -1.046 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.289 -12.645 -2.452 1.00 0.00 H new ATOM 413 N VAL A 26 -10.948 -11.700 2.036 1.00 0.00 N ATOM 414 CA VAL A 26 -11.845 -12.222 3.058 1.00 0.00 C ATOM 415 C VAL A 26 -12.895 -11.181 3.433 1.00 0.00 C ATOM 416 O VAL A 26 -14.052 -11.514 3.695 1.00 0.00 O ATOM 417 CB VAL A 26 -11.065 -12.634 4.323 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.999 -13.223 5.371 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.963 -13.622 3.971 1.00 0.00 C ATOM 0 H VAL A 26 -10.032 -11.420 2.386 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.338 -13.102 2.644 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.606 -11.740 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.424 -13.505 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.748 -12.482 5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.494 -14.104 4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.423 -13.902 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.403 -14.512 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.273 -13.161 3.264 1.00 0.00 H new ATOM 429 N LYS A 27 -12.481 -9.919 3.454 1.00 0.00 N ATOM 430 CA LYS A 27 -13.379 -8.819 3.790 1.00 0.00 C ATOM 431 C LYS A 27 -14.351 -8.534 2.644 1.00 0.00 C ATOM 432 O LYS A 27 -15.303 -7.770 2.804 1.00 0.00 O ATOM 433 CB LYS A 27 -12.568 -7.563 4.117 1.00 0.00 C ATOM 434 CG LYS A 27 -13.401 -6.414 4.667 1.00 0.00 C ATOM 435 CD LYS A 27 -13.147 -6.194 6.147 1.00 0.00 C ATOM 436 CE LYS A 27 -13.849 -7.232 7.003 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.254 -7.460 6.564 1.00 0.00 N ATOM 0 H LYS A 27 -11.526 -9.631 3.242 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.961 -9.108 4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.797 -7.820 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.057 -7.228 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.169 -5.501 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.459 -6.622 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.075 -6.229 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.489 -5.199 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.298 -8.172 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.842 -6.908 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.844 -7.684 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.617 -6.602 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.283 -8.254 5.893 1.00 0.00 H new ATOM 451 N LYS A 28 -14.108 -9.155 1.489 1.00 0.00 N ATOM 452 CA LYS A 28 -14.962 -8.966 0.319 1.00 0.00 C ATOM 453 C LYS A 28 -14.814 -7.556 -0.244 1.00 0.00 C ATOM 454 O LYS A 28 -15.783 -6.801 -0.325 1.00 0.00 O ATOM 455 CB LYS A 28 -16.427 -9.237 0.674 1.00 0.00 C ATOM 456 CG LYS A 28 -17.212 -9.901 -0.446 1.00 0.00 C ATOM 457 CD LYS A 28 -16.776 -11.342 -0.653 1.00 0.00 C ATOM 458 CE LYS A 28 -17.445 -12.275 0.343 1.00 0.00 C ATOM 459 NZ LYS A 28 -18.681 -12.890 -0.214 1.00 0.00 N ATOM 0 H LYS A 28 -13.326 -9.793 1.340 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.646 -9.677 -0.444 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.466 -9.871 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.909 -8.295 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.276 -9.872 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.073 -9.341 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.021 -11.655 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.693 -11.414 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.746 -13.061 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.692 -11.722 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.106 -13.519 0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.359 -12.142 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.443 -13.439 -1.064 1.00 0.00 H new ATOM 473 N GLN A 29 -13.592 -7.208 -0.634 1.00 0.00 N ATOM 474 CA GLN A 29 -13.317 -5.890 -1.187 1.00 0.00 C ATOM 475 C GLN A 29 -12.252 -5.962 -2.278 1.00 0.00 C ATOM 476 O GLN A 29 -11.202 -6.577 -2.087 1.00 0.00 O ATOM 477 CB GLN A 29 -12.859 -4.935 -0.081 1.00 0.00 C ATOM 478 CG GLN A 29 -14.007 -4.250 0.642 1.00 0.00 C ATOM 479 CD GLN A 29 -14.385 -2.926 0.007 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.730 -2.867 -1.173 1.00 0.00 O ATOM 481 NE2 GLN A 29 -14.324 -1.855 0.788 1.00 0.00 N ATOM 0 H GLN A 29 -12.778 -7.821 -0.577 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.240 -5.514 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.263 -5.490 0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.208 -4.176 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.875 -4.909 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.729 -4.084 1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.033 -1.949 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.568 -0.938 0.415 1.00 0.00 H new ATOM 490 N PRO A 30 -12.495 -5.320 -3.435 1.00 0.00 N ATOM 491 CA PRO A 30 -11.538 -5.305 -4.541 1.00 0.00 C ATOM 492 C PRO A 30 -10.437 -4.290 -4.293 1.00 0.00 C ATOM 493 O PRO A 30 -10.614 -3.373 -3.494 1.00 0.00 O ATOM 494 CB PRO A 30 -12.398 -4.868 -5.720 1.00 0.00 C ATOM 495 CG PRO A 30 -13.383 -3.940 -5.103 1.00 0.00 C ATOM 496 CD PRO A 30 -13.709 -4.538 -3.757 1.00 0.00 C ATOM 0 HA PRO A 30 -11.038 -6.262 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.805 -4.372 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.889 -5.717 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.966 -2.938 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.277 -3.850 -5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.903 -3.768 -3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.596 -5.170 -3.801 1.00 0.00 H new ATOM 504 N PHE A 31 -9.304 -4.448 -4.964 1.00 0.00 N ATOM 505 CA PHE A 31 -8.193 -3.520 -4.784 1.00 0.00 C ATOM 506 C PHE A 31 -7.197 -3.598 -5.938 1.00 0.00 C ATOM 507 O PHE A 31 -7.279 -4.489 -6.784 1.00 0.00 O ATOM 508 CB PHE A 31 -7.483 -3.802 -3.475 1.00 0.00 C ATOM 509 CG PHE A 31 -7.141 -5.245 -3.312 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.128 -6.159 -3.001 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.846 -5.692 -3.494 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.834 -7.497 -2.870 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.540 -7.030 -3.362 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.537 -7.938 -3.050 1.00 0.00 C ATOM 0 H PHE A 31 -9.130 -5.200 -5.631 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.608 -2.512 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.571 -3.207 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.116 -3.486 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.143 -5.820 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.066 -4.987 -3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.616 -8.201 -2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.524 -7.369 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.302 -8.987 -2.948 1.00 0.00 H new ATOM 524 N GLU A 32 -6.244 -2.666 -5.954 1.00 0.00 N ATOM 525 CA GLU A 32 -5.222 -2.634 -6.992 1.00 0.00 C ATOM 526 C GLU A 32 -3.843 -2.418 -6.378 1.00 0.00 C ATOM 527 O GLU A 32 -3.669 -1.567 -5.505 1.00 0.00 O ATOM 528 CB GLU A 32 -5.523 -1.527 -8.006 1.00 0.00 C ATOM 529 CG GLU A 32 -5.866 -2.050 -9.392 1.00 0.00 C ATOM 530 CD GLU A 32 -4.704 -2.768 -10.048 1.00 0.00 C ATOM 531 OE1 GLU A 32 -3.631 -2.147 -10.199 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.867 -3.952 -10.411 1.00 0.00 O ATOM 0 H GLU A 32 -6.161 -1.925 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.229 -3.594 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.353 -0.924 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.658 -0.867 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.715 -2.730 -9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.177 -1.218 -10.023 1.00 0.00 H new ATOM 539 N PHE A 33 -2.869 -3.194 -6.835 1.00 0.00 N ATOM 540 CA PHE A 33 -1.512 -3.091 -6.329 1.00 0.00 C ATOM 541 C PHE A 33 -0.703 -2.074 -7.126 1.00 0.00 C ATOM 542 O PHE A 33 -1.016 -1.782 -8.280 1.00 0.00 O ATOM 543 CB PHE A 33 -0.824 -4.453 -6.388 1.00 0.00 C ATOM 544 CG PHE A 33 0.271 -4.599 -5.379 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.018 -4.558 -4.029 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.585 -4.767 -5.780 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.987 -4.679 -3.089 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.596 -4.891 -4.846 1.00 0.00 C ATOM 549 CZ PHE A 33 2.296 -4.846 -3.498 1.00 0.00 C ATOM 0 H PHE A 33 -2.997 -3.903 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.565 -2.754 -5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.565 -5.236 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.413 -4.603 -7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.040 -4.430 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.823 -4.802 -6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.750 -4.643 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.618 -5.023 -5.169 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.084 -4.941 -2.765 1.00 0.00 H new ATOM 559 N ILE A 34 0.343 -1.544 -6.502 1.00 0.00 N ATOM 560 CA ILE A 34 1.212 -0.570 -7.145 1.00 0.00 C ATOM 561 C ILE A 34 2.645 -0.742 -6.671 1.00 0.00 C ATOM 562 O ILE A 34 2.938 -0.650 -5.479 1.00 0.00 O ATOM 563 CB ILE A 34 0.767 0.876 -6.874 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.744 1.007 -7.055 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.503 1.838 -7.795 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.297 2.339 -6.597 1.00 0.00 C ATOM 0 H ILE A 34 0.609 -1.776 -5.545 1.00 0.00 H new ATOM 0 HA ILE A 34 1.147 -0.752 -8.218 1.00 0.00 H new ATOM 0 HB ILE A 34 1.014 1.131 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.989 0.864 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.238 0.209 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.177 2.858 -7.591 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.576 1.758 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.284 1.588 -8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.375 2.359 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.084 2.476 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.831 3.142 -7.168 1.00 0.00 H new ATOM 578 N ASN A 35 3.526 -0.998 -7.617 1.00 0.00 N ATOM 579 CA ASN A 35 4.939 -1.196 -7.322 1.00 0.00 C ATOM 580 C ASN A 35 5.676 0.136 -7.270 1.00 0.00 C ATOM 581 O ASN A 35 5.791 0.834 -8.278 1.00 0.00 O ATOM 582 CB ASN A 35 5.578 -2.107 -8.373 1.00 0.00 C ATOM 583 CG ASN A 35 5.409 -1.572 -9.781 1.00 0.00 C ATOM 584 OD1 ASN A 35 4.296 -1.502 -10.302 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.517 -1.193 -10.407 1.00 0.00 N ATOM 0 H ASN A 35 3.290 -1.075 -8.606 1.00 0.00 H new ATOM 0 HA ASN A 35 5.017 -1.671 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.640 -2.219 -8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.133 -3.100 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.466 -0.827 -11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.419 -1.268 -9.937 1.00 0.00 H new ATOM 592 N ILE A 36 6.177 0.480 -6.089 1.00 0.00 N ATOM 593 CA ILE A 36 6.910 1.726 -5.906 1.00 0.00 C ATOM 594 C ILE A 36 8.310 1.628 -6.502 1.00 0.00 C ATOM 595 O ILE A 36 8.940 2.641 -6.804 1.00 0.00 O ATOM 596 CB ILE A 36 7.020 2.101 -4.416 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.581 0.928 -3.610 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.664 2.524 -3.872 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.577 1.347 -2.552 1.00 0.00 C ATOM 0 H ILE A 36 6.089 -0.086 -5.245 1.00 0.00 H new ATOM 0 HA ILE A 36 6.350 2.504 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 36 7.706 2.943 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.757 0.398 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.060 0.225 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.760 2.785 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.302 3.388 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.957 1.702 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.934 0.466 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.420 1.851 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.096 2.027 -1.848 1.00 0.00 H new ATOM 611 N MET A 37 8.791 0.399 -6.673 1.00 0.00 N ATOM 612 CA MET A 37 10.112 0.171 -7.237 1.00 0.00 C ATOM 613 C MET A 37 10.013 -0.576 -8.568 1.00 0.00 C ATOM 614 O MET A 37 9.687 -1.763 -8.597 1.00 0.00 O ATOM 615 CB MET A 37 10.981 -0.619 -6.252 1.00 0.00 C ATOM 616 CG MET A 37 12.359 -0.964 -6.795 1.00 0.00 C ATOM 617 SD MET A 37 13.701 -0.241 -5.828 1.00 0.00 S ATOM 618 CE MET A 37 13.382 -0.937 -4.208 1.00 0.00 C ATOM 0 H MET A 37 8.284 -0.451 -6.428 1.00 0.00 H new ATOM 0 HA MET A 37 10.577 1.140 -7.420 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.096 -0.039 -5.336 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.465 -1.541 -5.983 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.475 -2.048 -6.813 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.434 -0.618 -7.826 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.153 -0.607 -3.512 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.407 -0.603 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.392 -2.025 -4.271 1.00 0.00 H new ATOM 628 N PRO A 38 10.289 0.112 -9.692 1.00 0.00 N ATOM 629 CA PRO A 38 10.225 -0.494 -11.027 1.00 0.00 C ATOM 630 C PRO A 38 11.425 -1.390 -11.308 1.00 0.00 C ATOM 631 O PRO A 38 11.336 -2.344 -12.082 1.00 0.00 O ATOM 632 CB PRO A 38 10.239 0.718 -11.957 1.00 0.00 C ATOM 633 CG PRO A 38 11.017 1.743 -11.210 1.00 0.00 C ATOM 634 CD PRO A 38 10.684 1.533 -9.756 1.00 0.00 C ATOM 0 HA PRO A 38 9.352 -1.136 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.707 0.481 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.229 1.065 -12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.086 1.628 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.748 2.749 -11.531 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.541 1.740 -9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.876 2.189 -9.431 1.00 0.00 H new ATOM 642 N GLU A 39 12.548 -1.073 -10.674 1.00 0.00 N ATOM 643 CA GLU A 39 13.770 -1.843 -10.850 1.00 0.00 C ATOM 644 C GLU A 39 14.492 -2.014 -9.521 1.00 0.00 C ATOM 645 O GLU A 39 14.379 -1.174 -8.630 1.00 0.00 O ATOM 646 CB GLU A 39 14.689 -1.156 -11.861 1.00 0.00 C ATOM 647 CG GLU A 39 14.163 -1.198 -13.286 1.00 0.00 C ATOM 648 CD GLU A 39 14.892 -2.208 -14.148 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.133 -2.113 -14.254 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.223 -3.096 -14.718 1.00 0.00 O ATOM 0 H GLU A 39 12.636 -0.285 -10.032 1.00 0.00 H new ATOM 0 HA GLU A 39 13.502 -2.829 -11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.829 -0.116 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.669 -1.631 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.100 -1.440 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.258 -0.209 -13.733 1.00 0.00 H new ATOM 657 N LYS A 40 15.237 -3.106 -9.393 1.00 0.00 N ATOM 658 CA LYS A 40 15.975 -3.384 -8.165 1.00 0.00 C ATOM 659 C LYS A 40 17.058 -2.346 -7.908 1.00 0.00 C ATOM 660 O LYS A 40 17.680 -2.321 -6.845 1.00 0.00 O ATOM 661 CB LYS A 40 16.580 -4.788 -8.205 1.00 0.00 C ATOM 662 CG LYS A 40 17.364 -5.152 -6.954 1.00 0.00 C ATOM 663 CD LYS A 40 17.438 -6.658 -6.762 1.00 0.00 C ATOM 664 CE LYS A 40 17.680 -7.022 -5.307 1.00 0.00 C ATOM 665 NZ LYS A 40 16.406 -7.182 -4.555 1.00 0.00 N ATOM 0 H LYS A 40 15.346 -3.812 -10.121 1.00 0.00 H new ATOM 0 HA LYS A 40 15.265 -3.330 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.780 -5.515 -8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.238 -4.866 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.372 -4.743 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.894 -4.696 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.509 -7.115 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.239 -7.066 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.251 -7.949 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.285 -6.248 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.455 -6.639 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.616 -6.831 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.256 -8.188 -4.337 1.00 0.00 H new ATOM 679 N GLY A 41 17.268 -1.498 -8.888 1.00 0.00 N ATOM 680 CA GLY A 41 18.269 -0.455 -8.783 1.00 0.00 C ATOM 681 C GLY A 41 17.761 0.777 -8.058 1.00 0.00 C ATOM 682 O GLY A 41 18.355 1.209 -7.069 1.00 0.00 O ATOM 0 H GLY A 41 16.758 -1.508 -9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.141 -0.846 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.599 -0.172 -9.783 1.00 0.00 H new ATOM 686 N VAL A 42 16.662 1.347 -8.547 1.00 0.00 N ATOM 687 CA VAL A 42 16.091 2.542 -7.936 1.00 0.00 C ATOM 688 C VAL A 42 14.574 2.594 -8.096 1.00 0.00 C ATOM 689 O VAL A 42 14.038 2.222 -9.140 1.00 0.00 O ATOM 690 CB VAL A 42 16.695 3.820 -8.549 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.250 5.049 -7.771 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.212 3.729 -8.595 1.00 0.00 C ATOM 0 H VAL A 42 16.152 1.002 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 42 16.333 2.491 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 42 16.331 3.915 -9.572 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.687 5.941 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.163 5.124 -7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.581 4.964 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.618 4.642 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.600 3.606 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.507 2.874 -9.203 1.00 0.00 H new ATOM 702 N PHE A 43 13.888 3.070 -7.057 1.00 0.00 N ATOM 703 CA PHE A 43 12.431 3.183 -7.090 1.00 0.00 C ATOM 704 C PHE A 43 11.982 4.092 -8.233 1.00 0.00 C ATOM 705 O PHE A 43 12.800 4.765 -8.862 1.00 0.00 O ATOM 706 CB PHE A 43 11.886 3.742 -5.767 1.00 0.00 C ATOM 707 CG PHE A 43 12.610 3.267 -4.538 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.203 2.119 -3.879 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.688 3.977 -4.034 1.00 0.00 C ATOM 710 CE1 PHE A 43 12.859 1.686 -2.743 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.348 3.549 -2.899 1.00 0.00 C ATOM 712 CZ PHE A 43 13.933 2.402 -2.252 1.00 0.00 C ATOM 0 H PHE A 43 14.316 3.382 -6.186 1.00 0.00 H new ATOM 0 HA PHE A 43 12.035 2.179 -7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.933 4.830 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.834 3.471 -5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.363 1.556 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 43 14.016 4.876 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.532 0.788 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.188 4.111 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.447 2.065 -1.364 1.00 0.00 H new ATOM 722 N ASP A 44 10.675 4.115 -8.491 1.00 0.00 N ATOM 723 CA ASP A 44 10.111 4.948 -9.555 1.00 0.00 C ATOM 724 C ASP A 44 9.765 6.341 -9.035 1.00 0.00 C ATOM 725 O ASP A 44 9.264 6.493 -7.920 1.00 0.00 O ATOM 726 CB ASP A 44 8.854 4.296 -10.138 1.00 0.00 C ATOM 727 CG ASP A 44 7.895 3.830 -9.062 1.00 0.00 C ATOM 728 OD1 ASP A 44 7.401 4.686 -8.298 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.636 2.611 -8.982 1.00 0.00 O ATOM 0 H ASP A 44 9.985 3.566 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 44 10.865 5.042 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.347 5.008 -10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.142 3.446 -10.757 1.00 0.00 H new ATOM 734 N ASP A 45 10.027 7.354 -9.853 1.00 0.00 N ATOM 735 CA ASP A 45 9.739 8.735 -9.479 1.00 0.00 C ATOM 736 C ASP A 45 8.254 9.060 -9.635 1.00 0.00 C ATOM 737 O ASP A 45 7.790 10.106 -9.182 1.00 0.00 O ATOM 738 CB ASP A 45 10.570 9.695 -10.333 1.00 0.00 C ATOM 739 CG ASP A 45 10.799 11.028 -9.648 1.00 0.00 C ATOM 740 OD1 ASP A 45 9.807 11.650 -9.212 1.00 0.00 O ATOM 741 OD2 ASP A 45 11.970 11.450 -9.546 1.00 0.00 O ATOM 0 H ASP A 45 10.439 7.246 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 45 10.004 8.857 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.532 9.236 -10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.065 9.861 -11.284 1.00 0.00 H new ATOM 746 N GLU A 46 7.510 8.164 -10.280 1.00 0.00 N ATOM 747 CA GLU A 46 6.082 8.370 -10.494 1.00 0.00 C ATOM 748 C GLU A 46 5.305 8.251 -9.189 1.00 0.00 C ATOM 749 O GLU A 46 4.683 9.212 -8.736 1.00 0.00 O ATOM 750 CB GLU A 46 5.547 7.362 -11.512 1.00 0.00 C ATOM 751 CG GLU A 46 4.117 7.636 -11.947 1.00 0.00 C ATOM 752 CD GLU A 46 4.040 8.546 -13.158 1.00 0.00 C ATOM 753 OE1 GLU A 46 4.834 9.507 -13.230 1.00 0.00 O ATOM 754 OE2 GLU A 46 3.184 8.298 -14.033 1.00 0.00 O ATOM 0 H GLU A 46 7.873 7.291 -10.662 1.00 0.00 H new ATOM 0 HA GLU A 46 5.945 9.379 -10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.192 7.368 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.602 6.361 -11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.623 6.691 -12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.570 8.090 -11.121 1.00 0.00 H new ATOM 761 N LYS A 47 5.340 7.067 -8.587 1.00 0.00 N ATOM 762 CA LYS A 47 4.634 6.830 -7.335 1.00 0.00 C ATOM 763 C LYS A 47 5.321 7.545 -6.178 1.00 0.00 C ATOM 764 O LYS A 47 4.663 8.153 -5.336 1.00 0.00 O ATOM 765 CB LYS A 47 4.539 5.331 -7.043 1.00 0.00 C ATOM 766 CG LYS A 47 3.286 4.678 -7.602 1.00 0.00 C ATOM 767 CD LYS A 47 3.283 4.685 -9.123 1.00 0.00 C ATOM 768 CE LYS A 47 2.378 5.775 -9.673 1.00 0.00 C ATOM 769 NZ LYS A 47 1.650 5.330 -10.893 1.00 0.00 N ATOM 0 H LYS A 47 5.849 6.259 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 47 3.626 7.231 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.414 4.833 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.568 5.177 -5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.218 3.651 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.405 5.204 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.299 4.835 -9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.951 3.714 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.659 6.070 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.974 6.657 -9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.070 6.113 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.335 5.041 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.036 4.525 -10.656 1.00 0.00 H new ATOM 783 N ILE A 48 6.648 7.477 -6.143 1.00 0.00 N ATOM 784 CA ILE A 48 7.414 8.126 -5.084 1.00 0.00 C ATOM 785 C ILE A 48 7.099 9.620 -5.026 1.00 0.00 C ATOM 786 O ILE A 48 6.999 10.201 -3.945 1.00 0.00 O ATOM 787 CB ILE A 48 8.939 7.919 -5.284 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.359 6.495 -4.891 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.736 8.937 -4.479 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.358 5.421 -5.267 1.00 0.00 C ATOM 0 H ILE A 48 7.214 6.981 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 48 7.123 7.664 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 48 9.154 8.064 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.314 6.267 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.522 6.462 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.802 8.771 -4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.474 9.944 -4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.504 8.826 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.734 4.447 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.408 5.620 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.211 5.422 -6.347 1.00 0.00 H new ATOM 802 N ALA A 49 6.942 10.238 -6.194 1.00 0.00 N ATOM 803 CA ALA A 49 6.637 11.662 -6.267 1.00 0.00 C ATOM 804 C ALA A 49 5.195 11.930 -5.856 1.00 0.00 C ATOM 805 O ALA A 49 4.933 12.720 -4.949 1.00 0.00 O ATOM 806 CB ALA A 49 6.894 12.188 -7.672 1.00 0.00 C ATOM 0 H ALA A 49 7.021 9.776 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 49 7.292 12.187 -5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.662 13.252 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.942 12.036 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.263 11.653 -8.382 1.00 0.00 H new ATOM 812 N GLU A 50 4.264 11.260 -6.526 1.00 0.00 N ATOM 813 CA GLU A 50 2.846 11.419 -6.226 1.00 0.00 C ATOM 814 C GLU A 50 2.564 11.050 -4.775 1.00 0.00 C ATOM 815 O GLU A 50 1.730 11.668 -4.116 1.00 0.00 O ATOM 816 CB GLU A 50 2.005 10.547 -7.165 1.00 0.00 C ATOM 817 CG GLU A 50 0.548 10.413 -6.743 1.00 0.00 C ATOM 818 CD GLU A 50 -0.419 10.741 -7.864 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.696 11.941 -8.077 1.00 0.00 O ATOM 820 OE2 GLU A 50 -0.899 9.800 -8.530 1.00 0.00 O ATOM 0 H GLU A 50 4.465 10.603 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 50 2.575 12.464 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.045 10.969 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.450 9.554 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.366 9.395 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.356 11.075 -5.898 1.00 0.00 H new ATOM 827 N LEU A 51 3.275 10.042 -4.280 1.00 0.00 N ATOM 828 CA LEU A 51 3.105 9.587 -2.907 1.00 0.00 C ATOM 829 C LEU A 51 3.341 10.730 -1.928 1.00 0.00 C ATOM 830 O LEU A 51 2.510 11.000 -1.060 1.00 0.00 O ATOM 831 CB LEU A 51 4.070 8.438 -2.608 1.00 0.00 C ATOM 832 CG LEU A 51 4.002 7.887 -1.183 1.00 0.00 C ATOM 833 CD1 LEU A 51 2.563 7.601 -0.790 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.850 6.631 -1.056 1.00 0.00 C ATOM 0 H LEU A 51 3.975 9.525 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 51 2.081 9.233 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.869 7.625 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.087 8.779 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 51 4.400 8.641 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.534 7.210 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.982 8.522 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.138 6.866 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.790 6.253 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.482 5.872 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.887 6.866 -1.295 1.00 0.00 H new ATOM 846 N LEU A 52 4.476 11.405 -2.079 1.00 0.00 N ATOM 847 CA LEU A 52 4.824 12.522 -1.217 1.00 0.00 C ATOM 848 C LEU A 52 3.698 13.544 -1.154 1.00 0.00 C ATOM 849 O LEU A 52 3.309 13.997 -0.078 1.00 0.00 O ATOM 850 CB LEU A 52 6.087 13.159 -1.723 1.00 0.00 C ATOM 851 CG LEU A 52 7.306 12.288 -1.504 1.00 0.00 C ATOM 852 CD1 LEU A 52 8.493 12.930 -2.140 1.00 0.00 C ATOM 853 CD2 LEU A 52 7.540 12.057 -0.020 1.00 0.00 C ATOM 0 H LEU A 52 5.171 11.194 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 52 4.982 12.150 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.982 13.370 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.233 14.116 -1.221 1.00 0.00 H new ATOM 0 HG LEU A 52 7.141 11.315 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.372 12.305 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.315 13.045 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.660 13.910 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.420 11.429 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.697 13.014 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.671 11.562 0.413 1.00 0.00 H new ATOM 865 N THR A 53 3.172 13.889 -2.323 1.00 0.00 N ATOM 866 CA THR A 53 2.080 14.848 -2.420 1.00 0.00 C ATOM 867 C THR A 53 0.789 14.249 -1.869 1.00 0.00 C ATOM 868 O THR A 53 0.041 14.911 -1.149 1.00 0.00 O ATOM 869 CB THR A 53 1.879 15.273 -3.877 1.00 0.00 C ATOM 870 OG1 THR A 53 3.062 15.857 -4.395 1.00 0.00 O ATOM 871 CG2 THR A 53 0.757 16.270 -4.063 1.00 0.00 C ATOM 0 H THR A 53 3.486 13.517 -3.219 1.00 0.00 H new ATOM 0 HA THR A 53 2.338 15.725 -1.826 1.00 0.00 H new ATOM 0 HB THR A 53 1.621 14.358 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.915 16.121 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.670 16.527 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.180 15.832 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.971 17.170 -3.487 1.00 0.00 H new ATOM 879 N LYS A 54 0.540 12.988 -2.209 1.00 0.00 N ATOM 880 CA LYS A 54 -0.655 12.291 -1.748 1.00 0.00 C ATOM 881 C LYS A 54 -0.690 12.218 -0.226 1.00 0.00 C ATOM 882 O LYS A 54 -1.743 12.385 0.390 1.00 0.00 O ATOM 883 CB LYS A 54 -0.709 10.880 -2.342 1.00 0.00 C ATOM 884 CG LYS A 54 -1.453 10.804 -3.664 1.00 0.00 C ATOM 885 CD LYS A 54 -1.591 9.369 -4.144 1.00 0.00 C ATOM 886 CE LYS A 54 -2.827 8.703 -3.562 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.066 9.103 -4.284 1.00 0.00 N ATOM 0 H LYS A 54 1.151 12.428 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.526 12.853 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.308 10.516 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.188 10.212 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.442 11.248 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.924 11.391 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.646 9.352 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.704 8.803 -3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.712 7.620 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.920 8.967 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.886 8.627 -3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.190 10.133 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.989 8.828 -5.284 1.00 0.00 H new ATOM 901 N LEU A 55 0.469 11.971 0.375 1.00 0.00 N ATOM 902 CA LEU A 55 0.572 11.878 1.827 1.00 0.00 C ATOM 903 C LEU A 55 0.142 13.184 2.485 1.00 0.00 C ATOM 904 O LEU A 55 -0.897 13.249 3.142 1.00 0.00 O ATOM 905 CB LEU A 55 2.008 11.541 2.237 1.00 0.00 C ATOM 906 CG LEU A 55 2.481 10.113 1.920 1.00 0.00 C ATOM 907 CD1 LEU A 55 3.296 9.562 3.075 1.00 0.00 C ATOM 908 CD2 LEU A 55 1.305 9.192 1.621 1.00 0.00 C ATOM 0 H LEU A 55 1.350 11.832 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.093 11.082 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.680 12.243 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.107 11.706 3.310 1.00 0.00 H new ATOM 0 HG LEU A 55 3.108 10.158 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.625 8.550 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.166 10.197 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.683 9.543 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.674 8.190 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.644 9.153 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.754 9.573 0.761 1.00 0.00 H new ATOM 920 N GLY A 56 0.950 14.223 2.302 1.00 0.00 N ATOM 921 CA GLY A 56 0.644 15.517 2.885 1.00 0.00 C ATOM 922 C GLY A 56 1.891 16.336 3.147 1.00 0.00 C ATOM 923 O GLY A 56 1.912 17.544 2.914 1.00 0.00 O ATOM 0 H GLY A 56 1.813 14.192 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.017 16.068 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.103 15.373 3.820 1.00 0.00 H new ATOM 927 N ARG A 57 2.935 15.673 3.633 1.00 0.00 N ATOM 928 CA ARG A 57 4.198 16.338 3.933 1.00 0.00 C ATOM 929 C ARG A 57 5.116 16.328 2.714 1.00 0.00 C ATOM 930 O ARG A 57 4.722 15.893 1.632 1.00 0.00 O ATOM 931 CB ARG A 57 4.888 15.652 5.114 1.00 0.00 C ATOM 932 CG ARG A 57 4.497 16.229 6.464 1.00 0.00 C ATOM 933 CD ARG A 57 3.068 15.863 6.834 1.00 0.00 C ATOM 934 NE ARG A 57 2.486 16.812 7.780 1.00 0.00 N ATOM 935 CZ ARG A 57 1.314 16.633 8.383 1.00 0.00 C ATOM 936 NH1 ARG A 57 0.595 15.543 8.142 1.00 0.00 N ATOM 937 NH2 ARG A 57 0.857 17.545 9.231 1.00 0.00 N ATOM 0 H ARG A 57 2.931 14.672 3.828 1.00 0.00 H new ATOM 0 HA ARG A 57 3.986 17.374 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.646 14.589 5.098 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.968 15.735 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.178 15.859 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.602 17.314 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.457 15.830 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.051 14.863 7.267 1.00 0.00 H new ATOM 0 HE ARG A 57 3.009 17.662 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.941 14.837 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.303 15.411 8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.404 18.384 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.042 17.407 9.693 1.00 0.00 H new ATOM 951 N ASP A 58 6.340 16.813 2.895 1.00 0.00 N ATOM 952 CA ASP A 58 7.311 16.859 1.807 1.00 0.00 C ATOM 953 C ASP A 58 8.344 15.747 1.947 1.00 0.00 C ATOM 954 O ASP A 58 8.876 15.252 0.953 1.00 0.00 O ATOM 955 CB ASP A 58 8.010 18.220 1.778 1.00 0.00 C ATOM 956 CG ASP A 58 7.120 19.315 1.223 1.00 0.00 C ATOM 957 OD1 ASP A 58 6.739 19.226 0.036 1.00 0.00 O ATOM 958 OD2 ASP A 58 6.804 20.261 1.974 1.00 0.00 O ATOM 0 H ASP A 58 6.683 17.179 3.783 1.00 0.00 H new ATOM 0 HA ASP A 58 6.774 16.712 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.323 18.486 2.788 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.914 18.148 1.173 1.00 0.00 H new ATOM 963 N THR A 59 8.627 15.358 3.186 1.00 0.00 N ATOM 964 CA THR A 59 9.598 14.303 3.454 1.00 0.00 C ATOM 965 C THR A 59 8.914 13.053 3.996 1.00 0.00 C ATOM 966 O THR A 59 7.732 13.079 4.338 1.00 0.00 O ATOM 967 CB THR A 59 10.651 14.794 4.449 1.00 0.00 C ATOM 968 OG1 THR A 59 11.556 13.754 4.775 1.00 0.00 O ATOM 969 CG2 THR A 59 10.059 15.309 5.742 1.00 0.00 C ATOM 0 H THR A 59 8.198 15.758 4.021 1.00 0.00 H new ATOM 0 HA THR A 59 10.085 14.046 2.513 1.00 0.00 H new ATOM 0 HB THR A 59 11.159 15.618 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.223 14.088 5.411 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.860 15.641 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.393 16.146 5.530 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.496 14.512 6.227 1.00 0.00 H new ATOM 977 N GLN A 60 9.668 11.961 4.076 1.00 0.00 N ATOM 978 CA GLN A 60 9.142 10.697 4.580 1.00 0.00 C ATOM 979 C GLN A 60 9.760 10.361 5.931 1.00 0.00 C ATOM 980 O GLN A 60 10.881 9.862 6.008 1.00 0.00 O ATOM 981 CB GLN A 60 9.422 9.571 3.587 1.00 0.00 C ATOM 982 CG GLN A 60 9.132 9.944 2.143 1.00 0.00 C ATOM 983 CD GLN A 60 10.342 10.521 1.435 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.797 11.618 1.757 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.867 9.785 0.464 1.00 0.00 N ATOM 0 H GLN A 60 10.649 11.926 3.797 1.00 0.00 H new ATOM 0 HA GLN A 60 8.064 10.801 4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.467 9.274 3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.821 8.703 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.788 9.060 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.319 10.670 2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.457 8.881 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.681 10.123 -0.049 1.00 0.00 H new ATOM 994 N ILE A 61 9.017 10.643 6.992 1.00 0.00 N ATOM 995 CA ILE A 61 9.482 10.383 8.349 1.00 0.00 C ATOM 996 C ILE A 61 9.306 8.919 8.730 1.00 0.00 C ATOM 997 O ILE A 61 8.291 8.533 9.308 1.00 0.00 O ATOM 998 CB ILE A 61 8.740 11.261 9.376 1.00 0.00 C ATOM 999 CG1 ILE A 61 8.741 12.722 8.923 1.00 0.00 C ATOM 1000 CG2 ILE A 61 9.381 11.125 10.750 1.00 0.00 C ATOM 1001 CD1 ILE A 61 8.038 13.654 9.887 1.00 0.00 C ATOM 0 H ILE A 61 8.085 11.054 6.939 1.00 0.00 H new ATOM 0 HA ILE A 61 10.543 10.630 8.366 1.00 0.00 H new ATOM 0 HB ILE A 61 7.706 10.922 9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.771 13.054 8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.261 12.792 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.846 11.751 11.465 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.334 10.085 11.072 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.423 11.442 10.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.077 14.673 9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.998 13.347 9.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.532 13.614 10.858 1.00 0.00 H new ATOM 1013 N GLY A 62 10.308 8.112 8.407 1.00 0.00 N ATOM 1014 CA GLY A 62 10.258 6.699 8.727 1.00 0.00 C ATOM 1015 C GLY A 62 9.066 6.001 8.105 1.00 0.00 C ATOM 1016 O GLY A 62 8.554 5.027 8.656 1.00 0.00 O ATOM 0 H GLY A 62 11.157 8.412 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.175 6.220 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.221 6.577 9.810 1.00 0.00 H new ATOM 1020 N LEU A 63 8.620 6.503 6.957 1.00 0.00 N ATOM 1021 CA LEU A 63 7.477 5.916 6.257 1.00 0.00 C ATOM 1022 C LEU A 63 7.610 4.398 6.169 1.00 0.00 C ATOM 1023 O LEU A 63 8.717 3.866 6.083 1.00 0.00 O ATOM 1024 CB LEU A 63 7.350 6.515 4.853 1.00 0.00 C ATOM 1025 CG LEU A 63 6.204 7.514 4.676 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.865 6.795 4.684 1.00 0.00 C ATOM 1027 CD2 LEU A 63 6.249 8.575 5.764 1.00 0.00 C ATOM 0 H LEU A 63 9.030 7.313 6.491 1.00 0.00 H new ATOM 0 HA LEU A 63 6.576 6.148 6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.287 7.012 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.217 5.703 4.139 1.00 0.00 H new ATOM 0 HG LEU A 63 6.322 8.007 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.062 7.521 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.835 6.073 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.737 6.275 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.427 9.277 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.156 8.099 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.197 9.111 5.711 1.00 0.00 H new ATOM 1039 N THR A 64 6.477 3.706 6.201 1.00 0.00 N ATOM 1040 CA THR A 64 6.474 2.249 6.135 1.00 0.00 C ATOM 1041 C THR A 64 5.669 1.741 4.942 1.00 0.00 C ATOM 1042 O THR A 64 4.745 2.404 4.470 1.00 0.00 O ATOM 1043 CB THR A 64 5.907 1.663 7.429 1.00 0.00 C ATOM 1044 OG1 THR A 64 4.619 2.189 7.696 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.775 1.935 8.639 1.00 0.00 C ATOM 0 H THR A 64 5.551 4.128 6.272 1.00 0.00 H new ATOM 0 HA THR A 64 7.506 1.923 6.009 1.00 0.00 H new ATOM 0 HB THR A 64 5.867 0.586 7.266 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.273 1.801 8.527 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.316 1.493 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.761 1.497 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.874 3.011 8.781 1.00 0.00 H new ATOM 1053 N MET A 65 6.026 0.552 4.468 1.00 0.00 N ATOM 1054 CA MET A 65 5.344 -0.063 3.338 1.00 0.00 C ATOM 1055 C MET A 65 4.788 -1.429 3.728 1.00 0.00 C ATOM 1056 O MET A 65 5.315 -2.085 4.626 1.00 0.00 O ATOM 1057 CB MET A 65 6.305 -0.207 2.156 1.00 0.00 C ATOM 1058 CG MET A 65 7.071 1.066 1.837 1.00 0.00 C ATOM 1059 SD MET A 65 8.509 1.296 2.899 1.00 0.00 S ATOM 1060 CE MET A 65 9.342 2.641 2.059 1.00 0.00 C ATOM 0 H MET A 65 6.788 -0.006 4.852 1.00 0.00 H new ATOM 0 HA MET A 65 4.514 0.580 3.044 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.016 -1.005 2.371 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.741 -0.512 1.275 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.393 1.040 0.796 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.405 1.922 1.943 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.254 2.898 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.595 2.335 1.044 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.685 3.510 2.023 1.00 0.00 H new ATOM 1070 N PRO A 66 3.709 -1.878 3.064 1.00 0.00 N ATOM 1071 CA PRO A 66 3.042 -1.141 1.989 1.00 0.00 C ATOM 1072 C PRO A 66 2.091 -0.067 2.512 1.00 0.00 C ATOM 1073 O PRO A 66 1.497 -0.216 3.581 1.00 0.00 O ATOM 1074 CB PRO A 66 2.248 -2.228 1.244 1.00 0.00 C ATOM 1075 CG PRO A 66 2.579 -3.519 1.925 1.00 0.00 C ATOM 1076 CD PRO A 66 3.049 -3.158 3.301 1.00 0.00 C ATOM 0 HA PRO A 66 3.761 -0.608 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.177 -2.028 1.286 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.525 -2.260 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.706 -4.170 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.352 -4.060 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.222 -3.067 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.734 -3.902 3.708 1.00 0.00 H new ATOM 1084 N GLN A 67 1.934 1.006 1.741 1.00 0.00 N ATOM 1085 CA GLN A 67 1.039 2.091 2.113 1.00 0.00 C ATOM 1086 C GLN A 67 -0.224 2.033 1.265 1.00 0.00 C ATOM 1087 O GLN A 67 -0.162 2.102 0.039 1.00 0.00 O ATOM 1088 CB GLN A 67 1.734 3.444 1.943 1.00 0.00 C ATOM 1089 CG GLN A 67 2.587 3.841 3.136 1.00 0.00 C ATOM 1090 CD GLN A 67 1.984 4.981 3.935 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.473 4.781 5.037 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.044 6.188 3.381 1.00 0.00 N ATOM 0 H GLN A 67 2.417 1.145 0.854 1.00 0.00 H new ATOM 0 HA GLN A 67 0.767 1.977 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.361 3.412 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.980 4.212 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.718 2.977 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.578 4.132 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.477 6.308 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.657 6.994 3.872 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.367 1.875 1.915 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.629 1.778 1.198 1.00 0.00 C ATOM 1103 C VAL A 68 -3.296 3.137 1.020 1.00 0.00 C ATOM 1104 O VAL A 68 -2.985 4.101 1.722 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.613 0.819 1.901 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.679 0.342 0.928 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.874 -0.364 2.511 1.00 0.00 C ATOM 0 H VAL A 68 -1.447 1.812 2.930 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.383 1.379 0.214 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.103 1.364 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.364 -0.333 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.233 1.200 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.206 -0.183 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.588 -1.026 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.352 -0.911 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.152 -0.003 3.244 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.224 3.195 0.069 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.955 4.419 -0.229 1.00 0.00 C ATOM 1119 C PHE A 69 -6.402 4.097 -0.584 1.00 0.00 C ATOM 1120 O PHE A 69 -6.678 3.108 -1.263 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.293 5.157 -1.392 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.033 5.874 -1.010 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.087 7.141 -0.454 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.796 5.283 -1.204 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -1.930 7.806 -0.100 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.635 5.943 -0.853 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.702 7.207 -0.299 1.00 0.00 C ATOM 0 H PHE A 69 -4.488 2.400 -0.512 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.939 5.056 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.068 4.442 -2.184 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.000 5.877 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.045 7.614 -0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.739 4.294 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.985 8.794 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.324 5.472 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.204 7.725 -0.022 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.323 4.931 -0.118 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.744 4.727 -0.383 1.00 0.00 C ATOM 1139 C ALA A 70 -9.013 4.602 -1.884 1.00 0.00 C ATOM 1140 O ALA A 70 -8.335 5.231 -2.697 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.558 5.869 0.206 1.00 0.00 C ATOM 0 H ALA A 70 -7.113 5.755 0.445 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.047 3.794 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.616 5.705 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.399 5.911 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.243 6.810 -0.244 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.016 3.794 -2.273 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.375 3.598 -3.683 1.00 0.00 C ATOM 1149 C PRO A 71 -10.911 4.873 -4.327 1.00 0.00 C ATOM 1150 O PRO A 71 -11.006 4.969 -5.550 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.461 2.516 -3.644 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.417 1.942 -2.266 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.884 3.021 -1.374 1.00 0.00 C ATOM 0 HA PRO A 71 -9.509 3.318 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.442 2.939 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.274 1.747 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.410 1.628 -1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.777 1.060 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.684 3.634 -0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.328 2.610 -0.531 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.256 5.854 -3.496 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.778 7.126 -3.984 1.00 0.00 C ATOM 1163 C ASP A 72 -10.706 8.212 -3.937 1.00 0.00 C ATOM 1164 O ASP A 72 -10.784 9.204 -4.661 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.992 7.551 -3.158 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.254 7.649 -3.993 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.768 6.593 -4.418 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.728 8.781 -4.222 1.00 0.00 O ATOM 0 H ASP A 72 -11.183 5.791 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.083 6.991 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.148 6.835 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.792 8.516 -2.693 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.706 8.020 -3.080 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.639 8.994 -2.958 1.00 0.00 C ATOM 1175 C GLY A 73 -8.479 9.507 -1.541 1.00 0.00 C ATOM 1176 O GLY A 73 -8.869 10.634 -1.234 1.00 0.00 O ATOM 0 H GLY A 73 -9.617 7.208 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.702 8.544 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.840 9.833 -3.624 1.00 0.00 H new ATOM 1180 N SER A 74 -7.909 8.677 -0.673 1.00 0.00 N ATOM 1181 CA SER A 74 -7.698 9.051 0.722 1.00 0.00 C ATOM 1182 C SER A 74 -6.767 8.058 1.413 1.00 0.00 C ATOM 1183 O SER A 74 -7.120 6.895 1.608 1.00 0.00 O ATOM 1184 CB SER A 74 -9.035 9.118 1.465 1.00 0.00 C ATOM 1185 OG SER A 74 -10.129 9.022 0.568 1.00 0.00 O ATOM 0 H SER A 74 -7.584 7.740 -0.911 1.00 0.00 H new ATOM 0 HA SER A 74 -7.232 10.036 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.089 8.310 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.098 10.054 2.020 1.00 0.00 H new ATOM 0 HG SER A 74 -10.969 9.066 1.071 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.578 8.524 1.784 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.595 7.676 2.453 1.00 0.00 C ATOM 1193 C HIS A 75 -5.198 7.007 3.684 1.00 0.00 C ATOM 1194 O HIS A 75 -5.655 7.680 4.607 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.372 8.501 2.858 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.250 7.675 3.407 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.613 7.942 4.599 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.650 6.568 2.901 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.666 7.010 4.777 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.648 6.152 3.774 1.00 0.00 N ATOM 0 H HIS A 75 -5.271 9.485 1.633 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.288 6.899 1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.014 9.055 1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.671 9.236 3.605 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.824 8.712 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.908 6.086 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.004 6.967 5.629 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.189 5.678 3.695 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.730 4.921 4.819 1.00 0.00 C ATOM 1210 C ILE A 76 -4.617 4.497 5.771 1.00 0.00 C ATOM 1211 O ILE A 76 -4.738 4.636 6.988 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.494 3.669 4.342 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.623 4.066 3.392 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.045 2.889 5.528 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.927 3.014 2.348 1.00 0.00 C ATOM 0 H ILE A 76 -4.814 5.104 2.940 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.426 5.577 5.342 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.797 3.025 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.524 4.262 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.357 4.997 2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.580 2.010 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.223 2.575 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.727 3.522 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.738 3.361 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.038 2.834 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.224 2.088 2.840 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.532 3.979 5.206 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.413 3.545 6.017 1.00 0.00 C ATOM 1229 C GLY A 77 -1.873 2.197 5.589 1.00 0.00 C ATOM 1230 O GLY A 77 -2.040 1.788 4.440 1.00 0.00 O ATOM 0 H GLY A 77 -3.409 3.853 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.617 4.287 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.724 3.493 7.061 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.218 1.510 6.515 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.653 0.207 6.214 1.00 0.00 C ATOM 1236 C GLY A 78 -1.622 -0.927 6.494 1.00 0.00 C ATOM 1237 O GLY A 78 -2.811 -0.826 6.187 1.00 0.00 O ATOM 0 H GLY A 78 -1.067 1.831 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.357 0.177 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.251 0.062 6.805 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.113 -2.007 7.077 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.943 -3.164 7.397 1.00 0.00 C ATOM 1243 C PHE A 79 -2.858 -2.866 8.580 1.00 0.00 C ATOM 1244 O PHE A 79 -4.082 -2.904 8.455 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.064 -4.380 7.705 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.843 -5.647 7.912 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.655 -6.151 6.907 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.768 -6.333 9.115 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.376 -7.315 7.098 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.487 -7.497 9.312 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.293 -7.988 8.303 1.00 0.00 C ATOM 0 H PHE A 79 -0.132 -2.106 7.337 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.564 -3.387 6.529 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.360 -4.526 6.886 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.475 -4.175 8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.725 -5.628 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.140 -5.953 9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.003 -7.698 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.419 -8.022 10.253 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.857 -8.896 8.455 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.258 -2.566 9.729 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.021 -2.260 10.936 1.00 0.00 C ATOM 1263 C ASP A 80 -4.007 -1.124 10.687 1.00 0.00 C ATOM 1264 O ASP A 80 -5.171 -1.198 11.084 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.076 -1.884 12.080 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.760 -1.931 13.432 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.818 -1.283 13.585 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.240 -2.616 14.338 1.00 0.00 O ATOM 0 H ASP A 80 -1.246 -2.528 9.850 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.584 -3.152 11.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.224 -2.564 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.683 -0.882 11.909 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.533 -0.071 10.026 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.372 1.082 9.722 1.00 0.00 C ATOM 1275 C GLN A 81 -5.615 0.659 8.949 1.00 0.00 C ATOM 1276 O GLN A 81 -6.733 1.050 9.285 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.584 2.111 8.911 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.880 3.150 9.765 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.494 2.711 10.195 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.785 2.036 9.450 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.101 3.093 11.405 1.00 0.00 N ATOM 0 H GLN A 81 -2.573 0.006 9.691 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.685 1.531 10.665 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.844 1.592 8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.263 2.617 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.804 4.083 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.482 3.356 10.650 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.722 3.653 11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.179 2.827 11.749 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.410 -0.142 7.911 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.514 -0.621 7.092 1.00 0.00 C ATOM 1292 C LEU A 82 -7.455 -1.510 7.892 1.00 0.00 C ATOM 1293 O LEU A 82 -8.674 -1.375 7.794 1.00 0.00 O ATOM 1294 CB LEU A 82 -6.002 -1.359 5.874 1.00 0.00 C ATOM 1295 CG LEU A 82 -7.047 -1.491 4.775 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.646 -0.712 3.538 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.275 -2.944 4.455 1.00 0.00 C ATOM 0 H LEU A 82 -4.491 -0.473 7.617 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.076 0.252 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.131 -0.836 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.669 -2.353 6.172 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.983 -1.064 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.413 -0.826 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.540 0.343 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.696 -1.092 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.024 -3.030 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.341 -3.393 4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.625 -3.462 5.347 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.895 -2.402 8.703 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.714 -3.284 9.530 1.00 0.00 C ATOM 1311 C ARG A 83 -8.724 -2.456 10.314 1.00 0.00 C ATOM 1312 O ARG A 83 -9.829 -2.913 10.606 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.834 -4.091 10.488 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.582 -5.191 11.224 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.706 -5.848 12.278 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.473 -6.728 13.156 1.00 0.00 N ATOM 1317 CZ ARG A 83 -7.056 -7.122 14.358 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.881 -6.720 14.826 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -7.816 -7.922 15.094 1.00 0.00 N ATOM 0 H ARG A 83 -5.889 -2.533 8.806 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.246 -3.982 8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.013 -4.535 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.391 -3.414 11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.472 -4.775 11.696 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.921 -5.942 10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.918 -6.421 11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.217 -5.078 12.874 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.381 -7.060 12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.291 -6.106 14.264 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.567 -7.025 15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.720 -8.235 14.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.497 -8.224 16.015 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.342 -1.218 10.625 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.223 -0.310 11.342 1.00 0.00 C ATOM 1335 C GLU A 84 -10.296 0.199 10.392 1.00 0.00 C ATOM 1336 O GLU A 84 -11.449 0.386 10.780 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.434 0.863 11.929 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.346 0.438 12.902 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.450 1.591 13.312 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.887 2.416 14.142 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -5.312 1.669 12.803 1.00 0.00 O ATOM 0 H GLU A 84 -7.430 -0.826 10.391 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.691 -0.846 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.981 1.429 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.124 1.535 12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.806 0.006 13.791 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.740 -0.344 12.445 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.911 0.390 9.133 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.839 0.839 8.111 1.00 0.00 C ATOM 1350 C TYR A 85 -11.928 -0.211 7.932 1.00 0.00 C ATOM 1351 O TYR A 85 -13.093 0.108 7.695 1.00 0.00 O ATOM 1352 CB TYR A 85 -10.088 1.057 6.795 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.873 1.812 5.747 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.938 1.218 5.084 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.538 3.118 5.414 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.651 1.905 4.120 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.244 3.811 4.450 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.299 3.201 3.807 1.00 0.00 C ATOM 1359 OH TYR A 85 -13.006 3.888 2.847 1.00 0.00 O ATOM 0 H TYR A 85 -8.959 0.239 8.800 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.296 1.782 8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.166 1.600 7.002 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.802 0.087 6.389 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.214 0.202 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.712 3.599 5.917 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.479 1.430 3.615 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.970 4.826 4.202 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.632 4.788 2.747 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.525 -1.473 8.069 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.426 -2.605 7.935 1.00 0.00 C ATOM 1371 C PHE A 86 -13.096 -2.938 9.265 1.00 0.00 C ATOM 1372 O PHE A 86 -14.295 -2.719 9.439 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.627 -3.809 7.426 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.395 -3.787 5.939 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.377 -3.334 5.069 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.185 -4.199 5.411 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.154 -3.295 3.708 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.955 -4.158 4.050 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.940 -3.705 3.199 1.00 0.00 C ATOM 0 H PHE A 86 -10.561 -1.735 8.277 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.215 -2.352 7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.664 -3.839 7.936 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.156 -4.725 7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.328 -3.008 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.410 -4.558 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.929 -2.944 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.004 -4.481 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.761 -3.671 2.134 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.314 -3.466 10.203 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.832 -3.828 11.519 1.00 0.00 C ATOM 1391 C LYS A 87 -12.615 -2.698 12.520 1.00 0.00 C ATOM 1392 O LYS A 87 -13.614 -2.069 12.927 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.157 -5.106 12.020 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.752 -6.377 11.437 1.00 0.00 C ATOM 1395 CD LYS A 87 -14.046 -6.758 12.138 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.790 -7.687 13.314 1.00 0.00 C ATOM 1397 NZ LYS A 87 -14.754 -7.454 14.426 1.00 0.00 N ATOM 1398 OXT LYS A 87 -11.448 -2.452 12.890 1.00 0.00 O ATOM 0 H LYS A 87 -11.319 -3.653 10.076 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.904 -4.003 11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.096 -5.066 11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.232 -5.145 13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.941 -6.237 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.034 -7.192 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.550 -5.857 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.716 -7.244 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.863 -8.722 12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.773 -7.540 13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.546 -8.107 15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.667 -6.473 14.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.723 -7.619 14.086 1.00 0.00 H new