USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 760 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 106 HIS : no HD1:sc= -0.653 K(o=-1.1,f=-4.7) USER MOD Set 1.2: A 110 HIS :FLIP no HD1:sc= -0.494 F(o=-3.7,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 120:sc= 0.0585 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.92 F(o=-4.3!,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.994 F(o=-2.5!,f=-0.99) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0246) USER MOD Single : A 48 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.6!) USER MOD Single : A 51 ASN : amide:sc= -0.55 K(o=-0.55,f=-2.4!) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.89! C(o=-3.9!,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0215 (180deg=-0.185) USER MOD Single : A 60 TYR OH : rot 29:sc= 0.903 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -135:sc= 0.00284 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 80 ASN : amide:sc= -0.382 K(o=-0.38,f=-0.97) USER MOD Single : A 83 CYS SG : rot -84:sc= 0.259 USER MOD Single : A 88 THR OG1 : rot -124:sc= 0.444 USER MOD Single : A 92 MET CE :methyl -170:sc= -0.493 (180deg=-0.972) USER MOD Single : A 93 ASN : amide:sc= -0.885 K(o=-0.88,f=-2.2!) USER MOD Single : A 94 ASN : amide:sc= -0.793 K(o=-0.79,f=-1.8!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.46) USER MOD Single : A 107 ASN :FLIP amide:sc= 0.822 F(o=-0.89,f=0.82) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -8.843 -17.877 -8.046 1.00 0.00 N ATOM 2 CA THR A 26 -8.151 -16.691 -7.553 1.00 0.00 C ATOM 3 C THR A 26 -9.078 -15.480 -7.550 1.00 0.00 C ATOM 4 O THR A 26 -9.953 -15.353 -8.407 1.00 0.00 O ATOM 5 CB THR A 26 -6.918 -16.402 -8.412 1.00 0.00 C ATOM 6 OG1 THR A 26 -6.288 -15.203 -7.996 1.00 0.00 O ATOM 7 CG2 THR A 26 -7.233 -16.267 -9.886 1.00 0.00 C ATOM 0 HA THR A 26 -7.835 -16.885 -6.528 1.00 0.00 H new ATOM 0 HB THR A 26 -6.262 -17.262 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.501 -15.036 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.315 -16.063 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.676 -17.194 -10.250 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.935 -15.447 -10.034 1.00 0.00 H new ATOM 15 N SER A 27 -8.879 -14.590 -6.582 1.00 0.00 N ATOM 16 CA SER A 27 -9.695 -13.388 -6.467 1.00 0.00 C ATOM 17 C SER A 27 -8.820 -12.138 -6.436 1.00 0.00 C ATOM 18 O SER A 27 -7.888 -12.040 -5.637 1.00 0.00 O ATOM 19 CB SER A 27 -10.561 -13.451 -5.208 1.00 0.00 C ATOM 20 OG SER A 27 -11.386 -14.603 -5.214 1.00 0.00 O ATOM 0 H SER A 27 -8.158 -14.680 -5.866 1.00 0.00 H new ATOM 0 HA SER A 27 -10.343 -13.334 -7.341 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.923 -13.461 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.180 -12.556 -5.144 1.00 0.00 H new ATOM 0 HG SER A 27 -11.182 -15.155 -4.431 1.00 0.00 H new ATOM 25 N LYS A 28 -9.124 -11.185 -7.310 1.00 0.00 N ATOM 26 CA LYS A 28 -8.361 -9.946 -7.381 1.00 0.00 C ATOM 27 C LYS A 28 -9.106 -8.801 -6.702 1.00 0.00 C ATOM 28 O LYS A 28 -10.323 -8.671 -6.843 1.00 0.00 O ATOM 29 CB LYS A 28 -8.070 -9.585 -8.839 1.00 0.00 C ATOM 30 CG LYS A 28 -7.055 -10.503 -9.501 1.00 0.00 C ATOM 31 CD LYS A 28 -6.081 -9.724 -10.372 1.00 0.00 C ATOM 32 CE LYS A 28 -4.725 -10.407 -10.440 1.00 0.00 C ATOM 33 NZ LYS A 28 -3.683 -9.518 -11.024 1.00 0.00 N ATOM 0 H LYS A 28 -9.892 -11.247 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.419 -10.102 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.001 -9.617 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.704 -8.559 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.503 -11.049 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.575 -11.244 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.490 -9.624 -11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.962 -8.716 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.422 -10.712 -9.438 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.805 -11.314 -11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.773 -10.021 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.959 -9.247 -11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.588 -8.664 -10.439 1.00 0.00 H new ATOM 47 N GLN A 29 -8.370 -7.969 -5.971 1.00 0.00 N ATOM 48 CA GLN A 29 -8.968 -6.831 -5.280 1.00 0.00 C ATOM 49 C GLN A 29 -8.135 -5.574 -5.482 1.00 0.00 C ATOM 50 O GLN A 29 -6.906 -5.618 -5.456 1.00 0.00 O ATOM 51 CB GLN A 29 -9.121 -7.127 -3.785 1.00 0.00 C ATOM 52 CG GLN A 29 -10.471 -6.713 -3.220 1.00 0.00 C ATOM 53 CD GLN A 29 -10.818 -5.270 -3.532 1.00 0.00 C ATOM 54 OE1 GLN A 29 -9.902 -4.361 -3.219 1.00 0.00 O flip ATOM 55 NE2 GLN A 29 -11.896 -4.976 -4.049 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.362 -8.061 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.957 -6.662 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.978 -8.194 -3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.333 -6.610 -3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.245 -7.364 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.467 -6.856 -2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.571 -5.708 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.114 -4.001 -4.254 1.00 0.00 H new ATOM 64 N GLU A 30 -8.816 -4.454 -5.693 1.00 0.00 N ATOM 65 CA GLU A 30 -8.144 -3.182 -5.909 1.00 0.00 C ATOM 66 C GLU A 30 -8.806 -2.068 -5.103 1.00 0.00 C ATOM 67 O GLU A 30 -10.032 -1.961 -5.065 1.00 0.00 O ATOM 68 CB GLU A 30 -8.146 -2.843 -7.402 1.00 0.00 C ATOM 69 CG GLU A 30 -9.467 -2.292 -7.905 1.00 0.00 C ATOM 70 CD GLU A 30 -9.414 -1.915 -9.369 1.00 0.00 C ATOM 71 OE1 GLU A 30 -8.834 -0.855 -9.689 1.00 0.00 O ATOM 72 OE2 GLU A 30 -9.953 -2.676 -10.201 1.00 0.00 O ATOM 0 H GLU A 30 -9.834 -4.403 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.113 -3.270 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.360 -2.114 -7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.898 -3.741 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.250 -3.035 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.740 -1.416 -7.317 1.00 0.00 H new ATOM 79 N LEU A 31 -7.988 -1.240 -4.463 1.00 0.00 N ATOM 80 CA LEU A 31 -8.495 -0.134 -3.658 1.00 0.00 C ATOM 81 C LEU A 31 -8.151 1.207 -4.299 1.00 0.00 C ATOM 82 O LEU A 31 -7.084 1.367 -4.893 1.00 0.00 O ATOM 83 CB LEU A 31 -7.923 -0.203 -2.242 1.00 0.00 C ATOM 84 CG LEU A 31 -8.119 -1.548 -1.535 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.778 -2.221 -1.279 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.881 -1.362 -0.230 1.00 0.00 C ATOM 0 H LEU A 31 -6.971 -1.313 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.580 -0.221 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.856 0.017 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.386 0.579 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.707 -2.193 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.940 -3.175 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.270 -2.393 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.163 -1.578 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.010 -2.329 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.321 -0.697 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.859 -0.927 -0.438 1.00 0.00 H new ATOM 98 N ILE A 32 -9.061 2.167 -4.177 1.00 0.00 N ATOM 99 CA ILE A 32 -8.852 3.490 -4.741 1.00 0.00 C ATOM 100 C ILE A 32 -8.724 4.547 -3.653 1.00 0.00 C ATOM 101 O ILE A 32 -9.719 4.975 -3.068 1.00 0.00 O ATOM 102 CB ILE A 32 -10.005 3.886 -5.688 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.281 2.759 -6.685 1.00 0.00 C ATOM 104 CG2 ILE A 32 -9.676 5.177 -6.414 1.00 0.00 C ATOM 105 CD1 ILE A 32 -9.106 2.449 -7.587 1.00 0.00 C ATOM 0 H ILE A 32 -9.951 2.051 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.921 3.443 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.905 4.049 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.555 1.858 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.139 3.031 -7.300 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.499 5.441 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.525 5.975 -5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.767 5.043 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.373 1.641 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.845 3.337 -8.163 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.252 2.146 -6.981 1.00 0.00 H new ATOM 117 N LEU A 33 -7.491 4.963 -3.382 1.00 0.00 N ATOM 118 CA LEU A 33 -7.230 5.969 -2.359 1.00 0.00 C ATOM 119 C LEU A 33 -7.308 7.373 -2.948 1.00 0.00 C ATOM 120 O LEU A 33 -6.927 7.595 -4.093 1.00 0.00 O ATOM 121 CB LEU A 33 -5.855 5.738 -1.726 1.00 0.00 C ATOM 122 CG LEU A 33 -5.396 6.821 -0.745 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.835 6.478 0.669 1.00 0.00 C ATOM 124 CD2 LEU A 33 -3.892 6.990 -0.812 1.00 0.00 C ATOM 0 H LEU A 33 -6.657 4.619 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.994 5.877 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.870 4.781 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.116 5.656 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.861 7.766 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.501 7.258 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.922 6.405 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.398 5.524 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.581 7.763 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.408 6.048 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.603 7.281 -1.822 1.00 0.00 H new ATOM 136 N VAL A 34 -7.800 8.304 -2.149 1.00 0.00 N ATOM 137 CA VAL A 34 -7.939 9.699 -2.587 1.00 0.00 C ATOM 138 C VAL A 34 -9.017 9.833 -3.644 1.00 0.00 C ATOM 139 O VAL A 34 -9.039 9.100 -4.628 1.00 0.00 O ATOM 140 CB VAL A 34 -6.613 10.244 -3.137 1.00 0.00 C ATOM 141 CG1 VAL A 34 -6.713 11.748 -3.368 1.00 0.00 C ATOM 142 CG2 VAL A 34 -5.470 9.923 -2.200 1.00 0.00 C ATOM 0 H VAL A 34 -8.112 8.129 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.224 10.284 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.412 9.759 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.766 12.120 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.507 11.954 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.938 12.247 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.541 10.319 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.659 10.376 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.385 8.842 -2.087 1.00 0.00 H new ATOM 152 N LEU A 35 -9.923 10.783 -3.428 1.00 0.00 N ATOM 153 CA LEU A 35 -11.015 11.022 -4.355 1.00 0.00 C ATOM 154 C LEU A 35 -10.944 12.439 -4.927 1.00 0.00 C ATOM 155 O LEU A 35 -11.199 12.653 -6.113 1.00 0.00 O ATOM 156 CB LEU A 35 -12.351 10.819 -3.643 1.00 0.00 C ATOM 157 CG LEU A 35 -13.400 10.030 -4.432 1.00 0.00 C ATOM 158 CD1 LEU A 35 -13.730 8.723 -3.729 1.00 0.00 C ATOM 159 CD2 LEU A 35 -14.657 10.858 -4.637 1.00 0.00 C ATOM 0 H LEU A 35 -9.918 11.399 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.929 10.313 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.167 10.304 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.765 11.797 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.982 9.797 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.477 8.178 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.827 8.119 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.123 8.934 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.388 10.277 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.077 11.128 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.410 11.764 -5.191 1.00 0.00 H new ATOM 171 N LYS A 36 -10.590 13.396 -4.078 1.00 0.00 N ATOM 172 CA LYS A 36 -10.483 14.792 -4.502 1.00 0.00 C ATOM 173 C LYS A 36 -9.312 14.972 -5.462 1.00 0.00 C ATOM 174 O LYS A 36 -9.505 15.367 -6.617 1.00 0.00 O ATOM 175 CB LYS A 36 -10.314 15.696 -3.279 1.00 0.00 C ATOM 176 CG LYS A 36 -11.114 16.987 -3.370 1.00 0.00 C ATOM 177 CD LYS A 36 -11.027 17.788 -2.077 1.00 0.00 C ATOM 178 CE LYS A 36 -9.891 18.791 -2.130 1.00 0.00 C ATOM 179 NZ LYS A 36 -10.378 20.167 -2.465 1.00 0.00 N ATOM 0 H LYS A 36 -10.372 13.235 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.398 15.071 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.620 15.149 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.258 15.939 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.742 17.590 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.157 16.756 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.969 18.309 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.879 17.111 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.379 18.811 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.160 18.473 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.572 20.824 -2.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.844 20.153 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.056 20.481 -1.742 1.00 0.00 H new ATOM 193 N GLY A 37 -8.114 14.698 -4.975 1.00 0.00 N ATOM 194 CA GLY A 37 -6.924 14.840 -5.807 1.00 0.00 C ATOM 195 C GLY A 37 -5.729 15.335 -5.018 1.00 0.00 C ATOM 196 O GLY A 37 -4.651 14.742 -5.073 1.00 0.00 O ATOM 0 H GLY A 37 -7.937 14.380 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.684 13.879 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.133 15.534 -6.621 1.00 0.00 H new ATOM 200 N GLU A 38 -5.909 16.437 -4.287 1.00 0.00 N ATOM 201 CA GLU A 38 -4.838 17.027 -3.486 1.00 0.00 C ATOM 202 C GLU A 38 -3.541 17.112 -4.278 1.00 0.00 C ATOM 203 O GLU A 38 -3.524 16.904 -5.498 1.00 0.00 O ATOM 204 CB GLU A 38 -4.625 16.211 -2.209 1.00 0.00 C ATOM 205 CG GLU A 38 -4.048 14.830 -2.447 1.00 0.00 C ATOM 206 CD GLU A 38 -3.444 14.220 -1.196 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.794 14.682 -0.087 1.00 0.00 O ATOM 208 OE2 GLU A 38 -2.629 13.286 -1.324 1.00 0.00 O ATOM 0 H GLU A 38 -6.794 16.941 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.136 18.041 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.959 16.762 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.579 16.110 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.833 14.174 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.284 14.889 -3.222 1.00 0.00 H new ATOM 215 N LEU A 39 -2.442 17.429 -3.585 1.00 0.00 N ATOM 216 CA LEU A 39 -1.140 17.552 -4.222 1.00 0.00 C ATOM 217 C LEU A 39 -0.183 16.497 -3.685 1.00 0.00 C ATOM 218 O LEU A 39 -0.487 15.797 -2.729 1.00 0.00 O ATOM 219 CB LEU A 39 -0.566 18.955 -4.007 1.00 0.00 C ATOM 220 CG LEU A 39 0.163 19.552 -5.206 1.00 0.00 C ATOM 221 CD1 LEU A 39 -0.808 20.327 -6.089 1.00 0.00 C ATOM 222 CD2 LEU A 39 1.294 20.451 -4.746 1.00 0.00 C ATOM 0 H LEU A 39 -2.436 17.604 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.265 17.392 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.380 19.624 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.123 18.922 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 39 0.587 18.737 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.271 20.746 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.589 19.656 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.260 21.134 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.803 20.868 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.891 21.261 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.002 19.871 -4.154 1.00 0.00 H new ATOM 234 N ASP A 40 0.985 16.401 -4.317 1.00 0.00 N ATOM 235 CA ASP A 40 1.998 15.438 -3.900 1.00 0.00 C ATOM 236 C ASP A 40 3.260 16.147 -3.407 1.00 0.00 C ATOM 237 O ASP A 40 3.834 16.969 -4.107 1.00 0.00 O ATOM 238 CB ASP A 40 2.345 14.496 -5.052 1.00 0.00 C ATOM 239 CG ASP A 40 1.501 13.238 -5.050 1.00 0.00 C ATOM 240 OD1 ASP A 40 0.259 13.356 -4.980 1.00 0.00 O ATOM 241 OD2 ASP A 40 2.080 12.135 -5.122 1.00 0.00 O ATOM 0 H ASP A 40 1.251 16.976 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 40 1.587 14.855 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.208 15.019 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.398 14.223 -4.988 1.00 0.00 H new ATOM 246 N LEU A 41 3.682 15.812 -2.185 1.00 0.00 N ATOM 247 CA LEU A 41 4.869 16.414 -1.602 1.00 0.00 C ATOM 248 C LEU A 41 6.077 15.495 -1.760 1.00 0.00 C ATOM 249 O LEU A 41 6.949 15.742 -2.596 1.00 0.00 O ATOM 250 CB LEU A 41 4.635 16.712 -0.115 1.00 0.00 C ATOM 251 CG LEU A 41 3.890 18.011 0.163 1.00 0.00 C ATOM 252 CD1 LEU A 41 4.587 19.189 -0.500 1.00 0.00 C ATOM 253 CD2 LEU A 41 2.452 17.914 -0.313 1.00 0.00 C ATOM 0 H LEU A 41 3.217 15.129 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 41 5.071 17.347 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.074 15.886 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.600 16.747 0.391 1.00 0.00 H new ATOM 0 HG LEU A 41 3.890 18.175 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.036 20.105 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.602 19.277 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.624 19.030 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.936 18.852 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.436 17.720 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.950 17.100 0.210 1.00 0.00 H new ATOM 265 N HIS A 42 6.128 14.441 -0.953 1.00 0.00 N ATOM 266 CA HIS A 42 7.238 13.492 -1.003 1.00 0.00 C ATOM 267 C HIS A 42 6.741 12.097 -1.374 1.00 0.00 C ATOM 268 O HIS A 42 7.403 11.102 -1.078 1.00 0.00 O ATOM 269 CB HIS A 42 7.967 13.457 0.333 1.00 0.00 C ATOM 270 CG HIS A 42 8.444 14.793 0.791 1.00 0.00 C ATOM 271 ND1 HIS A 42 9.675 15.318 0.437 1.00 0.00 N ATOM 272 CD2 HIS A 42 7.862 15.726 1.584 1.00 0.00 C ATOM 273 CE1 HIS A 42 9.824 16.509 0.991 1.00 0.00 C ATOM 274 NE2 HIS A 42 8.737 16.780 1.691 1.00 0.00 N ATOM 0 H HIS A 42 5.416 14.221 -0.257 1.00 0.00 H new ATOM 0 HA HIS A 42 7.936 13.823 -1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.302 13.040 1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 42 8.821 12.784 0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.889 15.654 2.047 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.687 17.151 0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.574 17.634 2.225 1.00 0.00 H new ATOM 283 N SER A 43 5.574 12.024 -2.016 1.00 0.00 N ATOM 284 CA SER A 43 4.999 10.746 -2.415 1.00 0.00 C ATOM 285 C SER A 43 4.886 9.804 -1.230 1.00 0.00 C ATOM 286 O SER A 43 5.034 8.587 -1.374 1.00 0.00 O ATOM 287 CB SER A 43 5.849 10.106 -3.516 1.00 0.00 C ATOM 288 OG SER A 43 6.313 11.076 -4.438 1.00 0.00 O ATOM 0 H SER A 43 5.012 12.836 -2.269 1.00 0.00 H new ATOM 0 HA SER A 43 3.996 10.931 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.699 9.591 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.261 9.354 -4.042 1.00 0.00 H new ATOM 0 HG SER A 43 6.854 10.639 -5.128 1.00 0.00 H new ATOM 294 N LYS A 44 4.610 10.364 -0.056 1.00 0.00 N ATOM 295 CA LYS A 44 4.470 9.567 1.158 1.00 0.00 C ATOM 296 C LYS A 44 3.386 8.506 1.001 1.00 0.00 C ATOM 297 O LYS A 44 3.396 7.484 1.688 1.00 0.00 O ATOM 298 CB LYS A 44 4.144 10.466 2.350 1.00 0.00 C ATOM 299 CG LYS A 44 4.337 9.788 3.696 1.00 0.00 C ATOM 300 CD LYS A 44 3.688 10.581 4.819 1.00 0.00 C ATOM 301 CE LYS A 44 3.071 9.667 5.864 1.00 0.00 C ATOM 302 NZ LYS A 44 2.520 10.435 7.017 1.00 0.00 N ATOM 0 H LYS A 44 4.479 11.366 0.080 1.00 0.00 H new ATOM 0 HA LYS A 44 5.420 9.064 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.774 11.355 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.111 10.803 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.910 8.785 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.402 9.675 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.433 11.223 5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.919 11.235 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.276 9.077 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.824 8.964 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.108 9.776 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.283 10.978 7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.784 11.088 6.679 1.00 0.00 H new ATOM 316 N ASN A 45 2.445 8.750 0.090 1.00 0.00 N ATOM 317 CA ASN A 45 1.356 7.815 -0.155 1.00 0.00 C ATOM 318 C ASN A 45 1.891 6.430 -0.508 1.00 0.00 C ATOM 319 O ASN A 45 1.492 5.429 0.087 1.00 0.00 O ATOM 320 CB ASN A 45 0.456 8.329 -1.281 1.00 0.00 C ATOM 321 CG ASN A 45 -0.737 9.105 -0.760 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.476 8.505 0.166 1.00 0.00 O flip ATOM 323 ND2 ASN A 45 -0.990 10.234 -1.183 1.00 0.00 N flip ATOM 0 H ASN A 45 2.418 9.589 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 45 0.771 7.734 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.039 8.967 -1.945 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.105 7.485 -1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.395 10.657 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.795 10.746 -0.821 1.00 0.00 H new ATOM 330 N MET A 46 2.794 6.377 -1.480 1.00 0.00 N ATOM 331 CA MET A 46 3.386 5.117 -1.908 1.00 0.00 C ATOM 332 C MET A 46 4.099 4.429 -0.746 1.00 0.00 C ATOM 333 O MET A 46 4.160 3.200 -0.685 1.00 0.00 O ATOM 334 CB MET A 46 4.362 5.346 -3.064 1.00 0.00 C ATOM 335 CG MET A 46 5.592 6.155 -2.673 1.00 0.00 C ATOM 336 SD MET A 46 7.133 5.254 -2.931 1.00 0.00 S ATOM 337 CE MET A 46 8.280 6.604 -3.161 1.00 0.00 C ATOM 0 H MET A 46 3.132 7.195 -1.987 1.00 0.00 H new ATOM 0 HA MET A 46 2.582 4.467 -2.253 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.682 4.380 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.841 5.860 -3.872 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.614 7.077 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.515 6.441 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.280 6.206 -3.332 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.974 7.199 -4.022 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.287 7.232 -2.270 1.00 0.00 H new ATOM 347 N LYS A 47 4.625 5.227 0.173 1.00 0.00 N ATOM 348 CA LYS A 47 5.324 4.695 1.336 1.00 0.00 C ATOM 349 C LYS A 47 4.333 4.157 2.362 1.00 0.00 C ATOM 350 O LYS A 47 4.663 3.280 3.163 1.00 0.00 O ATOM 351 CB LYS A 47 6.195 5.775 1.973 1.00 0.00 C ATOM 352 CG LYS A 47 7.243 6.343 1.029 1.00 0.00 C ATOM 353 CD LYS A 47 8.568 5.605 1.155 1.00 0.00 C ATOM 354 CE LYS A 47 9.640 6.484 1.782 1.00 0.00 C ATOM 355 NZ LYS A 47 9.276 6.913 3.161 1.00 0.00 N ATOM 0 H LYS A 47 4.581 6.245 0.136 1.00 0.00 H new ATOM 0 HA LYS A 47 5.961 3.875 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.556 6.585 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.693 5.359 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.884 6.275 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.393 7.401 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.430 4.709 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.897 5.276 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.584 5.940 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.797 7.364 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.081 7.409 3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.457 7.552 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.036 6.078 3.732 1.00 0.00 H new ATOM 369 N ASN A 48 3.105 4.677 2.326 1.00 0.00 N ATOM 370 CA ASN A 48 2.064 4.247 3.250 1.00 0.00 C ATOM 371 C ASN A 48 1.560 2.856 2.888 1.00 0.00 C ATOM 372 O ASN A 48 1.255 2.050 3.766 1.00 0.00 O ATOM 373 CB ASN A 48 0.906 5.247 3.247 1.00 0.00 C ATOM 374 CG ASN A 48 0.440 5.598 4.646 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.926 5.043 5.632 1.00 0.00 O ATOM 376 ND2 ASN A 48 -0.503 6.528 4.741 1.00 0.00 N ATOM 0 H ASN A 48 2.811 5.396 1.665 1.00 0.00 H new ATOM 0 HA ASN A 48 2.492 4.206 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.216 6.156 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.071 4.830 2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.852 6.808 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.878 6.962 3.898 1.00 0.00 H new ATOM 383 N VAL A 49 1.483 2.581 1.590 1.00 0.00 N ATOM 384 CA VAL A 49 1.019 1.283 1.118 1.00 0.00 C ATOM 385 C VAL A 49 2.094 0.220 1.308 1.00 0.00 C ATOM 386 O VAL A 49 1.824 -0.852 1.856 1.00 0.00 O ATOM 387 CB VAL A 49 0.618 1.328 -0.365 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.050 0.022 -0.770 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.302 2.508 -0.639 1.00 0.00 C ATOM 0 H VAL A 49 1.735 3.236 0.850 1.00 0.00 H new ATOM 0 HA VAL A 49 0.141 1.027 1.712 1.00 0.00 H new ATOM 0 HB VAL A 49 1.520 1.457 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.329 0.067 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.643 -0.805 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.943 -0.133 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.573 2.520 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.204 2.415 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.211 3.436 -0.385 1.00 0.00 H new ATOM 399 N ILE A 50 3.306 0.516 0.852 1.00 0.00 N ATOM 400 CA ILE A 50 4.410 -0.424 0.977 1.00 0.00 C ATOM 401 C ILE A 50 4.629 -0.817 2.435 1.00 0.00 C ATOM 402 O ILE A 50 5.100 -1.914 2.729 1.00 0.00 O ATOM 403 CB ILE A 50 5.716 0.167 0.408 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.835 -0.877 0.439 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.129 1.416 1.188 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.692 -0.883 -0.811 1.00 0.00 C ATOM 0 H ILE A 50 3.547 1.395 0.395 1.00 0.00 H new ATOM 0 HA ILE A 50 4.144 -1.311 0.402 1.00 0.00 H new ATOM 0 HB ILE A 50 5.538 0.454 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.471 -0.691 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.395 -1.865 0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.053 1.817 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.342 2.167 1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.287 1.156 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.464 -1.647 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.069 -1.099 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.161 0.093 -0.935 1.00 0.00 H new ATOM 418 N ASN A 51 4.286 0.092 3.347 1.00 0.00 N ATOM 419 CA ASN A 51 4.437 -0.162 4.774 1.00 0.00 C ATOM 420 C ASN A 51 3.348 -1.107 5.271 1.00 0.00 C ATOM 421 O ASN A 51 3.620 -2.066 5.994 1.00 0.00 O ATOM 422 CB ASN A 51 4.383 1.147 5.556 1.00 0.00 C ATOM 423 CG ASN A 51 4.693 0.954 7.027 1.00 0.00 C ATOM 424 OD1 ASN A 51 4.051 0.162 7.712 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.694 1.688 7.523 1.00 0.00 N ATOM 0 H ASN A 51 3.902 1.009 3.120 1.00 0.00 H new ATOM 0 HA ASN A 51 5.408 -0.631 4.934 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.094 1.853 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.392 1.589 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.951 1.602 8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.201 2.334 6.918 1.00 0.00 H new ATOM 432 N ASN A 52 2.103 -0.837 4.872 1.00 0.00 N ATOM 433 CA ASN A 52 0.977 -1.662 5.276 1.00 0.00 C ATOM 434 C ASN A 52 0.999 -3.000 4.543 1.00 0.00 C ATOM 435 O ASN A 52 0.852 -4.056 5.155 1.00 0.00 O ATOM 436 CB ASN A 52 -0.345 -0.937 4.997 1.00 0.00 C ATOM 437 CG ASN A 52 -0.916 -0.279 6.238 1.00 0.00 C ATOM 438 OD1 ASN A 52 -2.231 -0.309 6.375 1.00 0.00 O flip ATOM 439 ND2 ASN A 52 -0.172 0.258 7.068 1.00 0.00 N flip ATOM 0 H ASN A 52 1.856 -0.052 4.270 1.00 0.00 H new ATOM 0 HA ASN A 52 1.060 -1.848 6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.186 -0.181 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.069 -1.648 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.838 0.258 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.568 0.700 7.897 1.00 0.00 H new ATOM 446 N ALA A 53 1.193 -2.946 3.229 1.00 0.00 N ATOM 447 CA ALA A 53 1.247 -4.149 2.413 1.00 0.00 C ATOM 448 C ALA A 53 2.338 -5.095 2.905 1.00 0.00 C ATOM 449 O ALA A 53 2.224 -6.315 2.779 1.00 0.00 O ATOM 450 CB ALA A 53 1.476 -3.783 0.952 1.00 0.00 C ATOM 0 H ALA A 53 1.316 -2.078 2.707 1.00 0.00 H new ATOM 0 HA ALA A 53 0.291 -4.665 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.515 -4.692 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.659 -3.151 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.418 -3.244 0.855 1.00 0.00 H new ATOM 456 N LYS A 54 3.395 -4.521 3.475 1.00 0.00 N ATOM 457 CA LYS A 54 4.506 -5.311 3.994 1.00 0.00 C ATOM 458 C LYS A 54 4.118 -5.997 5.299 1.00 0.00 C ATOM 459 O LYS A 54 4.389 -7.183 5.494 1.00 0.00 O ATOM 460 CB LYS A 54 5.726 -4.424 4.214 1.00 0.00 C ATOM 461 CG LYS A 54 6.719 -4.443 3.059 1.00 0.00 C ATOM 462 CD LYS A 54 8.138 -4.235 3.537 1.00 0.00 C ATOM 463 CE LYS A 54 8.965 -3.475 2.511 1.00 0.00 C ATOM 464 NZ LYS A 54 10.110 -2.762 3.137 1.00 0.00 N ATOM 0 H LYS A 54 3.504 -3.513 3.589 1.00 0.00 H new ATOM 0 HA LYS A 54 4.752 -6.078 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.393 -3.399 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.235 -4.742 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.648 -5.396 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.459 -3.664 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.129 -3.686 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.601 -5.201 3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.338 -4.170 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.330 -2.756 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.647 -2.257 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.754 -2.080 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.731 -3.450 3.609 1.00 0.00 H new ATOM 478 N LYS A 55 3.477 -5.246 6.188 1.00 0.00 N ATOM 479 CA LYS A 55 3.048 -5.783 7.475 1.00 0.00 C ATOM 480 C LYS A 55 2.129 -6.981 7.279 1.00 0.00 C ATOM 481 O LYS A 55 2.330 -8.035 7.881 1.00 0.00 O ATOM 482 CB LYS A 55 2.329 -4.708 8.290 1.00 0.00 C ATOM 483 CG LYS A 55 2.612 -4.787 9.783 1.00 0.00 C ATOM 484 CD LYS A 55 1.825 -3.740 10.554 1.00 0.00 C ATOM 485 CE LYS A 55 2.689 -2.534 10.887 1.00 0.00 C ATOM 486 NZ LYS A 55 3.099 -2.519 12.319 1.00 0.00 N ATOM 0 H LYS A 55 3.243 -4.264 6.041 1.00 0.00 H new ATOM 0 HA LYS A 55 3.936 -6.107 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.627 -3.726 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.255 -4.797 8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.356 -5.781 10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.678 -4.646 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.965 -3.422 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.438 -4.178 11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.578 -2.539 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.140 -1.621 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.686 -1.681 12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.252 -2.488 12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.645 -3.378 12.533 1.00 0.00 H new ATOM 500 N ASN A 56 1.119 -6.813 6.429 1.00 0.00 N ATOM 501 CA ASN A 56 0.167 -7.882 6.149 1.00 0.00 C ATOM 502 C ASN A 56 0.886 -9.125 5.633 1.00 0.00 C ATOM 503 O ASN A 56 0.766 -10.207 6.209 1.00 0.00 O ATOM 504 CB ASN A 56 -0.869 -7.417 5.125 1.00 0.00 C ATOM 505 CG ASN A 56 -1.602 -6.167 5.572 1.00 0.00 C ATOM 506 OD1 ASN A 56 -2.065 -6.078 6.709 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.710 -5.193 4.677 1.00 0.00 N ATOM 0 H ASN A 56 0.940 -5.946 5.923 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.342 -8.135 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.374 -7.224 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.590 -8.216 4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.192 -4.328 4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.311 -5.310 3.746 1.00 0.00 H new ATOM 514 N LEU A 57 1.638 -8.962 4.548 1.00 0.00 N ATOM 515 CA LEU A 57 2.381 -10.070 3.956 1.00 0.00 C ATOM 516 C LEU A 57 3.184 -10.814 5.020 1.00 0.00 C ATOM 517 O LEU A 57 3.046 -12.027 5.187 1.00 0.00 O ATOM 518 CB LEU A 57 3.315 -9.552 2.857 1.00 0.00 C ATOM 519 CG LEU A 57 3.078 -10.147 1.470 1.00 0.00 C ATOM 520 CD1 LEU A 57 2.983 -11.660 1.557 1.00 0.00 C ATOM 521 CD2 LEU A 57 1.819 -9.562 0.846 1.00 0.00 C ATOM 0 H LEU A 57 1.749 -8.073 4.061 1.00 0.00 H new ATOM 0 HA LEU A 57 1.666 -10.766 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.210 -8.469 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.345 -9.755 3.151 1.00 0.00 H new ATOM 0 HG LEU A 57 3.923 -9.891 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.814 -12.072 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.912 -12.060 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.154 -11.936 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.666 -9.997 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.961 -9.788 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.927 -8.481 0.753 1.00 0.00 H new ATOM 533 N GLU A 58 4.019 -10.075 5.742 1.00 0.00 N ATOM 534 CA GLU A 58 4.838 -10.659 6.795 1.00 0.00 C ATOM 535 C GLU A 58 3.963 -11.239 7.900 1.00 0.00 C ATOM 536 O GLU A 58 4.344 -12.202 8.566 1.00 0.00 O ATOM 537 CB GLU A 58 5.785 -9.609 7.375 1.00 0.00 C ATOM 538 CG GLU A 58 7.057 -9.433 6.568 1.00 0.00 C ATOM 539 CD GLU A 58 7.842 -8.203 6.984 1.00 0.00 C ATOM 540 OE1 GLU A 58 7.914 -7.924 8.201 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.389 -7.514 6.095 1.00 0.00 O ATOM 0 H GLU A 58 4.146 -9.071 5.617 1.00 0.00 H new ATOM 0 HA GLU A 58 5.428 -11.466 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.264 -8.653 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.047 -9.891 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.684 -10.317 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.805 -9.359 5.510 1.00 0.00 H new ATOM 548 N LYS A 59 2.784 -10.650 8.089 1.00 0.00 N ATOM 549 CA LYS A 59 1.853 -11.116 9.110 1.00 0.00 C ATOM 550 C LYS A 59 1.542 -12.596 8.918 1.00 0.00 C ATOM 551 O LYS A 59 1.413 -13.345 9.885 1.00 0.00 O ATOM 552 CB LYS A 59 0.558 -10.302 9.065 1.00 0.00 C ATOM 553 CG LYS A 59 -0.249 -10.372 10.351 1.00 0.00 C ATOM 554 CD LYS A 59 -1.384 -11.377 10.244 1.00 0.00 C ATOM 555 CE LYS A 59 -2.305 -11.307 11.451 1.00 0.00 C ATOM 556 NZ LYS A 59 -1.554 -11.419 12.731 1.00 0.00 N ATOM 0 H LYS A 59 2.453 -9.851 7.549 1.00 0.00 H new ATOM 0 HA LYS A 59 2.322 -10.980 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.800 -9.260 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.058 -10.659 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.406 -10.648 11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.655 -9.387 10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.957 -11.186 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.974 -12.383 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.854 -10.366 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.042 -12.108 11.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.222 -11.571 13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.895 -12.222 12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.020 -10.543 12.898 1.00 0.00 H new ATOM 570 N TYR A 60 1.431 -13.011 7.661 1.00 0.00 N ATOM 571 CA TYR A 60 1.143 -14.404 7.339 1.00 0.00 C ATOM 572 C TYR A 60 2.405 -15.250 7.451 1.00 0.00 C ATOM 573 O TYR A 60 2.373 -16.366 7.969 1.00 0.00 O ATOM 574 CB TYR A 60 0.560 -14.519 5.929 1.00 0.00 C ATOM 575 CG TYR A 60 -0.499 -13.484 5.624 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.793 -13.622 6.112 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.205 -12.372 4.848 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.764 -12.679 5.834 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.170 -11.423 4.566 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.447 -11.581 5.060 1.00 0.00 C ATOM 581 OH TYR A 60 -3.411 -10.641 4.781 1.00 0.00 O ATOM 0 H TYR A 60 1.536 -12.403 6.849 1.00 0.00 H new ATOM 0 HA TYR A 60 0.408 -14.774 8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.367 -14.425 5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.131 -15.513 5.802 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.044 -14.480 6.718 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.794 -12.246 4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.765 -12.800 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.924 -10.562 3.962 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.064 -10.616 5.511 1.00 0.00 H new ATOM 591 N PHE A 61 3.516 -14.710 6.961 1.00 0.00 N ATOM 592 CA PHE A 61 4.793 -15.416 7.008 1.00 0.00 C ATOM 593 C PHE A 61 5.265 -15.599 8.448 1.00 0.00 C ATOM 594 O PHE A 61 6.018 -16.521 8.751 1.00 0.00 O ATOM 595 CB PHE A 61 5.861 -14.662 6.209 1.00 0.00 C ATOM 596 CG PHE A 61 7.070 -15.495 5.883 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.935 -16.813 5.477 1.00 0.00 C ATOM 598 CD2 PHE A 61 8.343 -14.956 5.984 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.047 -17.578 5.178 1.00 0.00 C ATOM 600 CE2 PHE A 61 9.458 -15.716 5.687 1.00 0.00 C ATOM 601 CZ PHE A 61 9.309 -17.029 5.283 1.00 0.00 C ATOM 0 H PHE A 61 3.559 -13.788 6.527 1.00 0.00 H new ATOM 0 HA PHE A 61 4.642 -16.398 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.419 -14.299 5.281 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.176 -13.786 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.950 -17.248 5.393 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.465 -13.930 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.928 -18.604 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.445 -15.284 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.179 -17.625 5.050 1.00 0.00 H new ATOM 611 N LYS A 62 4.823 -14.713 9.332 1.00 0.00 N ATOM 612 CA LYS A 62 5.208 -14.781 10.736 1.00 0.00 C ATOM 613 C LYS A 62 4.261 -15.681 11.529 1.00 0.00 C ATOM 614 O LYS A 62 4.623 -16.194 12.587 1.00 0.00 O ATOM 615 CB LYS A 62 5.230 -13.380 11.349 1.00 0.00 C ATOM 616 CG LYS A 62 6.399 -13.147 12.283 1.00 0.00 C ATOM 617 CD LYS A 62 6.195 -13.821 13.630 1.00 0.00 C ATOM 618 CE LYS A 62 7.144 -14.992 13.822 1.00 0.00 C ATOM 619 NZ LYS A 62 8.489 -14.536 14.279 1.00 0.00 N ATOM 0 H LYS A 62 4.199 -13.940 9.102 1.00 0.00 H new ATOM 0 HA LYS A 62 6.208 -15.211 10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.263 -12.642 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.301 -13.216 11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.312 -13.526 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.537 -12.076 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.348 -13.094 14.428 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.165 -14.170 13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.726 -15.685 14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.243 -15.539 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.112 -15.360 14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.897 -13.894 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.396 -14.036 15.186 1.00 0.00 H new ATOM 633 N GLU A 63 3.044 -15.855 11.022 1.00 0.00 N ATOM 634 CA GLU A 63 2.049 -16.678 11.700 1.00 0.00 C ATOM 635 C GLU A 63 1.989 -18.092 11.125 1.00 0.00 C ATOM 636 O GLU A 63 1.895 -19.067 11.870 1.00 0.00 O ATOM 637 CB GLU A 63 0.670 -16.020 11.606 1.00 0.00 C ATOM 638 CG GLU A 63 0.132 -15.543 12.946 1.00 0.00 C ATOM 639 CD GLU A 63 -1.328 -15.897 13.148 1.00 0.00 C ATOM 640 OE1 GLU A 63 -2.193 -15.199 12.579 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.608 -16.873 13.875 1.00 0.00 O ATOM 0 H GLU A 63 2.724 -15.439 10.147 1.00 0.00 H new ATOM 0 HA GLU A 63 2.348 -16.757 12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.727 -15.172 10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.034 -16.731 11.173 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.723 -15.984 13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.253 -14.462 13.018 1.00 0.00 H new ATOM 648 N HIS A 64 2.025 -18.202 9.799 1.00 0.00 N ATOM 649 CA HIS A 64 1.952 -19.508 9.148 1.00 0.00 C ATOM 650 C HIS A 64 3.283 -19.915 8.522 1.00 0.00 C ATOM 651 O HIS A 64 3.354 -20.905 7.792 1.00 0.00 O ATOM 652 CB HIS A 64 0.854 -19.508 8.083 1.00 0.00 C ATOM 653 CG HIS A 64 -0.497 -19.865 8.619 1.00 0.00 C ATOM 654 ND1 HIS A 64 -1.029 -21.134 8.536 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.428 -19.109 9.251 1.00 0.00 C ATOM 656 CE1 HIS A 64 -2.226 -21.145 9.092 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.493 -19.930 9.533 1.00 0.00 N ATOM 0 H HIS A 64 2.103 -17.411 9.160 1.00 0.00 H new ATOM 0 HA HIS A 64 1.714 -20.240 9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.805 -18.521 7.623 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.122 -20.213 7.296 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.348 -18.058 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.877 -22.003 9.172 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.351 -19.646 10.006 1.00 0.00 H new ATOM 666 N PHE A 65 4.333 -19.159 8.815 1.00 0.00 N ATOM 667 CA PHE A 65 5.666 -19.449 8.284 1.00 0.00 C ATOM 668 C PHE A 65 5.608 -19.837 6.806 1.00 0.00 C ATOM 669 O PHE A 65 6.422 -20.628 6.330 1.00 0.00 O ATOM 670 CB PHE A 65 6.321 -20.569 9.096 1.00 0.00 C ATOM 671 CG PHE A 65 7.472 -20.101 9.940 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.701 -19.820 9.364 1.00 0.00 C ATOM 673 CD2 PHE A 65 7.326 -19.943 11.309 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.762 -19.390 10.139 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.382 -19.514 12.088 1.00 0.00 C ATOM 676 CZ PHE A 65 9.603 -19.237 11.502 1.00 0.00 C ATOM 0 H PHE A 65 4.291 -18.338 9.418 1.00 0.00 H new ATOM 0 HA PHE A 65 6.265 -18.542 8.368 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.570 -21.027 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.672 -21.344 8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.831 -19.938 8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.374 -20.158 11.772 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.715 -19.174 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.254 -19.395 13.154 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.431 -18.902 12.109 1.00 0.00 H new ATOM 686 N LYS A 66 4.637 -19.280 6.088 1.00 0.00 N ATOM 687 CA LYS A 66 4.473 -19.576 4.668 1.00 0.00 C ATOM 688 C LYS A 66 4.311 -18.297 3.850 1.00 0.00 C ATOM 689 O LYS A 66 4.837 -18.190 2.742 1.00 0.00 O ATOM 690 CB LYS A 66 3.263 -20.486 4.454 1.00 0.00 C ATOM 691 CG LYS A 66 3.415 -21.431 3.273 1.00 0.00 C ATOM 692 CD LYS A 66 4.271 -22.637 3.629 1.00 0.00 C ATOM 693 CE LYS A 66 3.486 -23.935 3.515 1.00 0.00 C ATOM 694 NZ LYS A 66 3.526 -24.487 2.133 1.00 0.00 N ATOM 0 H LYS A 66 3.954 -18.623 6.465 1.00 0.00 H new ATOM 0 HA LYS A 66 5.374 -20.087 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.094 -21.071 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.377 -19.869 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.431 -21.766 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.866 -20.898 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.138 -22.676 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.649 -22.528 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.893 -24.668 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.450 -23.760 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.980 -25.371 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.114 -23.798 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.512 -24.678 1.864 1.00 0.00 H new ATOM 708 N GLU A 67 3.576 -17.332 4.398 1.00 0.00 N ATOM 709 CA GLU A 67 3.340 -16.061 3.717 1.00 0.00 C ATOM 710 C GLU A 67 2.313 -16.226 2.602 1.00 0.00 C ATOM 711 O GLU A 67 2.668 -16.354 1.430 1.00 0.00 O ATOM 712 CB GLU A 67 4.647 -15.502 3.145 1.00 0.00 C ATOM 713 CG GLU A 67 4.610 -14.004 2.892 1.00 0.00 C ATOM 714 CD GLU A 67 5.992 -13.379 2.899 1.00 0.00 C ATOM 715 OE1 GLU A 67 6.970 -14.095 2.597 1.00 0.00 O ATOM 716 OE2 GLU A 67 6.097 -12.173 3.207 1.00 0.00 O ATOM 0 H GLU A 67 3.133 -17.406 5.314 1.00 0.00 H new ATOM 0 HA GLU A 67 2.948 -15.356 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.461 -15.725 3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.873 -16.014 2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.133 -13.813 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.995 -13.525 3.654 1.00 0.00 H new ATOM 723 N PHE A 68 1.036 -16.221 2.974 1.00 0.00 N ATOM 724 CA PHE A 68 -0.045 -16.370 2.006 1.00 0.00 C ATOM 725 C PHE A 68 -0.543 -15.007 1.535 1.00 0.00 C ATOM 726 O PHE A 68 -0.250 -13.982 2.151 1.00 0.00 O ATOM 727 CB PHE A 68 -1.200 -17.166 2.618 1.00 0.00 C ATOM 728 CG PHE A 68 -1.243 -18.600 2.173 1.00 0.00 C ATOM 729 CD1 PHE A 68 -1.517 -18.923 0.854 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.011 -19.626 3.076 1.00 0.00 C ATOM 731 CE1 PHE A 68 -1.558 -20.242 0.442 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.050 -20.947 2.670 1.00 0.00 C ATOM 733 CZ PHE A 68 -1.325 -21.255 1.352 1.00 0.00 C ATOM 0 H PHE A 68 0.725 -16.115 3.940 1.00 0.00 H new ATOM 0 HA PHE A 68 0.343 -16.913 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.117 -17.134 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.142 -16.684 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.701 -18.135 0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.797 -19.391 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.772 -20.480 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.866 -21.737 3.383 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.358 -22.286 1.033 1.00 0.00 H new ATOM 743 N ASP A 69 -1.296 -15.003 0.440 1.00 0.00 N ATOM 744 CA ASP A 69 -1.835 -13.766 -0.113 1.00 0.00 C ATOM 745 C ASP A 69 -0.713 -12.818 -0.525 1.00 0.00 C ATOM 746 O ASP A 69 0.393 -12.878 0.011 1.00 0.00 O ATOM 747 CB ASP A 69 -2.746 -13.080 0.908 1.00 0.00 C ATOM 748 CG ASP A 69 -3.764 -14.030 1.510 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.789 -15.212 1.105 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.537 -13.592 2.388 1.00 0.00 O ATOM 0 H ASP A 69 -1.547 -15.843 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.417 -14.019 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.137 -12.653 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.267 -12.252 0.427 1.00 0.00 H new ATOM 755 N LYS A 70 -1.009 -11.944 -1.481 1.00 0.00 N ATOM 756 CA LYS A 70 -0.028 -10.979 -1.967 1.00 0.00 C ATOM 757 C LYS A 70 -0.644 -9.588 -2.066 1.00 0.00 C ATOM 758 O LYS A 70 -1.863 -9.442 -2.171 1.00 0.00 O ATOM 759 CB LYS A 70 0.516 -11.415 -3.330 1.00 0.00 C ATOM 760 CG LYS A 70 1.966 -11.869 -3.290 1.00 0.00 C ATOM 761 CD LYS A 70 2.380 -12.531 -4.594 1.00 0.00 C ATOM 762 CE LYS A 70 2.439 -14.043 -4.459 1.00 0.00 C ATOM 763 NZ LYS A 70 2.012 -14.731 -5.708 1.00 0.00 N ATOM 0 H LYS A 70 -1.920 -11.884 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 70 0.797 -10.941 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.100 -12.228 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.423 -10.586 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.611 -11.012 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.107 -12.568 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.674 -12.262 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.356 -12.154 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.456 -14.345 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.800 -14.359 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.067 -15.761 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.033 -14.463 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.637 -14.450 -6.490 1.00 0.00 H new ATOM 777 N ILE A 71 0.199 -8.564 -2.027 1.00 0.00 N ATOM 778 CA ILE A 71 -0.279 -7.191 -2.111 1.00 0.00 C ATOM 779 C ILE A 71 0.548 -6.365 -3.082 1.00 0.00 C ATOM 780 O ILE A 71 1.776 -6.445 -3.104 1.00 0.00 O ATOM 781 CB ILE A 71 -0.278 -6.510 -0.734 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.001 -7.391 0.277 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.941 -5.144 -0.817 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.747 -7.000 1.716 1.00 0.00 C ATOM 0 H ILE A 71 1.211 -8.657 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.303 -7.243 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 71 0.753 -6.371 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.073 -7.348 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.691 -8.426 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.932 -4.675 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.396 -4.517 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.971 -5.259 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.294 -7.672 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.320 -7.070 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.083 -5.976 1.880 1.00 0.00 H new ATOM 796 N SER A 72 -0.147 -5.570 -3.881 1.00 0.00 N ATOM 797 CA SER A 72 0.492 -4.712 -4.867 1.00 0.00 C ATOM 798 C SER A 72 -0.176 -3.342 -4.884 1.00 0.00 C ATOM 799 O SER A 72 -1.277 -3.176 -4.358 1.00 0.00 O ATOM 800 CB SER A 72 0.413 -5.357 -6.250 1.00 0.00 C ATOM 801 OG SER A 72 1.608 -5.146 -6.982 1.00 0.00 O ATOM 0 H SER A 72 -1.165 -5.501 -3.865 1.00 0.00 H new ATOM 0 HA SER A 72 1.541 -4.584 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.231 -6.427 -6.146 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.432 -4.942 -6.800 1.00 0.00 H new ATOM 0 HG SER A 72 1.532 -5.570 -7.862 1.00 0.00 H new ATOM 807 N TYR A 73 0.488 -2.361 -5.483 1.00 0.00 N ATOM 808 CA TYR A 73 -0.063 -1.013 -5.548 1.00 0.00 C ATOM 809 C TYR A 73 0.589 -0.194 -6.658 1.00 0.00 C ATOM 810 O TYR A 73 1.695 -0.500 -7.104 1.00 0.00 O ATOM 811 CB TYR A 73 0.101 -0.314 -4.196 1.00 0.00 C ATOM 812 CG TYR A 73 1.509 0.137 -3.902 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.553 -0.775 -3.819 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.798 1.483 -3.707 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.842 -0.362 -3.554 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.083 1.903 -3.440 1.00 0.00 C ATOM 817 CZ TYR A 73 4.109 0.983 -3.362 1.00 0.00 C ATOM 818 OH TYR A 73 5.395 1.402 -3.096 1.00 0.00 O ATOM 0 H TYR A 73 1.400 -2.471 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.125 -1.093 -5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.560 0.552 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.224 -0.992 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.352 -1.826 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.003 2.211 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.641 -1.086 -3.496 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.288 2.953 -3.292 1.00 0.00 H new ATOM 0 HH TYR A 73 5.382 2.050 -2.361 1.00 0.00 H new ATOM 828 N ASP A 74 -0.107 0.850 -7.096 1.00 0.00 N ATOM 829 CA ASP A 74 0.398 1.718 -8.149 1.00 0.00 C ATOM 830 C ASP A 74 -0.141 3.133 -7.980 1.00 0.00 C ATOM 831 O ASP A 74 -1.037 3.383 -7.180 1.00 0.00 O ATOM 832 CB ASP A 74 0.001 1.171 -9.520 1.00 0.00 C ATOM 833 CG ASP A 74 0.442 -0.261 -9.729 1.00 0.00 C ATOM 834 OD1 ASP A 74 1.666 -0.505 -9.769 1.00 0.00 O ATOM 835 OD2 ASP A 74 -0.434 -1.145 -9.842 1.00 0.00 O ATOM 0 H ASP A 74 -1.024 1.114 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 74 1.485 1.747 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.082 1.233 -9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.438 1.798 -10.297 1.00 0.00 H new ATOM 840 N ILE A 75 0.428 4.071 -8.737 1.00 0.00 N ATOM 841 CA ILE A 75 0.004 5.463 -8.665 1.00 0.00 C ATOM 842 C ILE A 75 -0.328 6.017 -10.052 1.00 0.00 C ATOM 843 O ILE A 75 0.108 5.470 -11.063 1.00 0.00 O ATOM 844 CB ILE A 75 1.094 6.349 -8.025 1.00 0.00 C ATOM 845 CG1 ILE A 75 2.386 6.279 -8.845 1.00 0.00 C ATOM 846 CG2 ILE A 75 1.341 5.926 -6.587 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.555 7.426 -9.813 1.00 0.00 C ATOM 0 H ILE A 75 1.179 3.891 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.891 5.485 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 75 0.749 7.383 -8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.237 6.262 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.403 5.341 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.112 6.560 -6.149 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.419 6.027 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.669 4.887 -6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.492 7.308 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.724 7.432 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.571 8.367 -9.263 1.00 0.00 H new ATOM 859 N SER A 76 -1.111 7.089 -10.081 1.00 0.00 N ATOM 860 CA SER A 76 -1.507 7.713 -11.339 1.00 0.00 C ATOM 861 C SER A 76 -1.369 9.224 -11.261 1.00 0.00 C ATOM 862 O SER A 76 -2.021 9.882 -10.450 1.00 0.00 O ATOM 863 CB SER A 76 -2.947 7.339 -11.679 1.00 0.00 C ATOM 864 OG SER A 76 -3.123 5.937 -11.704 1.00 0.00 O ATOM 0 H SER A 76 -1.484 7.545 -9.248 1.00 0.00 H new ATOM 0 HA SER A 76 -0.846 7.347 -12.125 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.622 7.779 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.214 7.758 -12.649 1.00 0.00 H new ATOM 0 HG SER A 76 -4.055 5.728 -11.923 1.00 0.00 H new ATOM 870 N THR A 77 -0.506 9.782 -12.113 1.00 0.00 N ATOM 871 CA THR A 77 -0.274 11.221 -12.135 1.00 0.00 C ATOM 872 C THR A 77 -1.271 11.913 -13.066 1.00 0.00 C ATOM 873 O THR A 77 -1.946 12.867 -12.675 1.00 0.00 O ATOM 874 CB THR A 77 1.157 11.528 -12.582 1.00 0.00 C ATOM 875 OG1 THR A 77 1.948 10.349 -12.575 1.00 0.00 O ATOM 876 CG2 THR A 77 1.851 12.545 -11.699 1.00 0.00 C ATOM 0 H THR A 77 0.041 9.257 -12.795 1.00 0.00 H new ATOM 0 HA THR A 77 -0.416 11.602 -11.124 1.00 0.00 H new ATOM 0 HB THR A 77 1.066 11.939 -13.587 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.859 10.564 -12.865 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.861 12.719 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.293 13.481 -11.714 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.899 12.168 -10.678 1.00 0.00 H new ATOM 884 N PRO A 78 -1.375 11.452 -14.330 1.00 0.00 N ATOM 885 CA PRO A 78 -2.291 12.035 -15.310 1.00 0.00 C ATOM 886 C PRO A 78 -3.709 12.163 -14.779 1.00 0.00 C ATOM 887 O PRO A 78 -4.474 13.035 -15.205 1.00 0.00 O ATOM 888 CB PRO A 78 -2.239 11.051 -16.481 1.00 0.00 C ATOM 889 CG PRO A 78 -0.901 10.399 -16.359 1.00 0.00 C ATOM 890 CD PRO A 78 -0.610 10.320 -14.889 1.00 0.00 C ATOM 0 HA PRO A 78 -2.001 13.051 -15.580 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.045 10.319 -16.421 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.345 11.565 -17.437 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.909 9.406 -16.809 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.137 10.978 -16.877 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.932 9.369 -14.466 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.456 10.415 -14.684 1.00 0.00 H new ATOM 898 N ILE A 79 -4.071 11.275 -13.848 1.00 0.00 N ATOM 899 CA ILE A 79 -5.401 11.290 -13.262 1.00 0.00 C ATOM 900 C ILE A 79 -5.374 11.832 -11.836 1.00 0.00 C ATOM 901 O ILE A 79 -6.381 12.324 -11.329 1.00 0.00 O ATOM 902 CB ILE A 79 -6.017 9.877 -13.246 1.00 0.00 C ATOM 903 CG1 ILE A 79 -5.902 9.234 -14.632 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.473 9.941 -12.809 1.00 0.00 C ATOM 905 CD1 ILE A 79 -6.053 7.727 -14.608 1.00 0.00 C ATOM 0 H ILE A 79 -3.459 10.542 -13.490 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.012 11.945 -13.883 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.468 9.264 -12.532 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.664 9.658 -15.286 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.934 9.488 -15.064 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.895 8.936 -12.802 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.534 10.367 -11.808 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.034 10.566 -13.504 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.961 7.336 -15.621 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.275 7.293 -13.980 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.032 7.466 -14.206 1.00 0.00 H new ATOM 917 N ASN A 80 -4.221 11.732 -11.192 1.00 0.00 N ATOM 918 CA ASN A 80 -4.061 12.213 -9.818 1.00 0.00 C ATOM 919 C ASN A 80 -4.862 11.352 -8.847 1.00 0.00 C ATOM 920 O ASN A 80 -5.512 11.865 -7.937 1.00 0.00 O ATOM 921 CB ASN A 80 -4.506 13.673 -9.710 1.00 0.00 C ATOM 922 CG ASN A 80 -3.765 14.425 -8.622 1.00 0.00 C ATOM 923 OD1 ASN A 80 -4.378 15.041 -7.749 1.00 0.00 O ATOM 924 ND2 ASN A 80 -2.441 14.375 -8.664 1.00 0.00 N ATOM 0 H ASN A 80 -3.378 11.322 -11.595 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.006 12.143 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.345 14.171 -10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.577 13.710 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.890 14.859 -7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.974 13.853 -9.405 1.00 0.00 H new ATOM 931 N PHE A 81 -4.815 10.036 -9.051 1.00 0.00 N ATOM 932 CA PHE A 81 -5.532 9.107 -8.200 1.00 0.00 C ATOM 933 C PHE A 81 -4.630 7.950 -7.779 1.00 0.00 C ATOM 934 O PHE A 81 -3.741 7.540 -8.523 1.00 0.00 O ATOM 935 CB PHE A 81 -6.766 8.569 -8.926 1.00 0.00 C ATOM 936 CG PHE A 81 -8.017 9.349 -8.645 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.227 10.578 -9.249 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.981 8.856 -7.781 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.379 11.301 -8.999 1.00 0.00 C ATOM 940 CE2 PHE A 81 -10.134 9.578 -7.532 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.330 10.798 -8.143 1.00 0.00 C ATOM 0 H PHE A 81 -4.284 9.595 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.850 9.641 -7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.577 8.576 -10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.923 7.530 -8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.483 10.976 -9.923 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.831 7.901 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.531 12.258 -9.475 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -10.881 9.186 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.232 11.360 -7.949 1.00 0.00 H new ATOM 951 N LEU A 82 -4.866 7.423 -6.580 1.00 0.00 N ATOM 952 CA LEU A 82 -4.075 6.310 -6.061 1.00 0.00 C ATOM 953 C LEU A 82 -4.728 4.977 -6.408 1.00 0.00 C ATOM 954 O LEU A 82 -5.828 4.677 -5.947 1.00 0.00 O ATOM 955 CB LEU A 82 -3.907 6.433 -4.545 1.00 0.00 C ATOM 956 CG LEU A 82 -2.799 7.381 -4.098 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.440 6.831 -4.492 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.006 8.768 -4.684 1.00 0.00 C ATOM 0 H LEU A 82 -5.599 7.749 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.091 6.347 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.850 6.771 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.706 5.443 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.837 7.464 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.660 7.519 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.289 5.861 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.394 6.717 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.204 9.427 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.999 8.708 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.964 9.165 -4.349 1.00 0.00 H new ATOM 970 N CYS A 83 -4.048 4.182 -7.228 1.00 0.00 N ATOM 971 CA CYS A 83 -4.568 2.883 -7.639 1.00 0.00 C ATOM 972 C CYS A 83 -3.880 1.751 -6.884 1.00 0.00 C ATOM 973 O CYS A 83 -2.682 1.519 -7.043 1.00 0.00 O ATOM 974 CB CYS A 83 -4.384 2.690 -9.146 1.00 0.00 C ATOM 975 SG CYS A 83 -5.529 1.501 -9.885 1.00 0.00 S ATOM 0 H CYS A 83 -3.136 4.415 -7.621 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.631 2.858 -7.401 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.507 3.653 -9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.363 2.361 -9.337 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.060 0.298 -9.738 1.00 0.00 H new ATOM 981 N ILE A 84 -4.652 1.051 -6.068 1.00 0.00 N ATOM 982 CA ILE A 84 -4.126 -0.063 -5.288 1.00 0.00 C ATOM 983 C ILE A 84 -4.648 -1.393 -5.827 1.00 0.00 C ATOM 984 O ILE A 84 -5.846 -1.548 -6.063 1.00 0.00 O ATOM 985 CB ILE A 84 -4.503 0.075 -3.796 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.791 1.285 -3.181 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.178 -1.204 -3.028 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.427 0.967 -2.618 1.00 0.00 C ATOM 0 H ILE A 84 -5.646 1.233 -5.927 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.040 -0.043 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.579 0.236 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.689 2.060 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.414 1.697 -2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.453 -1.079 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.738 -2.036 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.110 -1.410 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.986 1.872 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.523 0.215 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.786 0.584 -3.412 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.744 -2.346 -6.021 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.117 -3.659 -6.534 1.00 0.00 C ATOM 1002 C PHE A 85 -3.553 -4.770 -5.652 1.00 0.00 C ATOM 1003 O PHE A 85 -2.421 -5.213 -5.844 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.620 -3.830 -7.971 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.658 -3.501 -9.006 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.580 -4.454 -9.410 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.709 -2.243 -9.569 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.534 -4.157 -10.356 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.663 -1.936 -10.527 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.577 -2.894 -10.921 1.00 0.00 C ATOM 0 H PHE A 85 -2.748 -2.234 -5.831 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.205 -3.729 -6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.750 -3.192 -8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.290 -4.859 -8.113 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.549 -5.443 -8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.999 -1.490 -9.261 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.249 -4.909 -10.657 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.692 -0.949 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.322 -2.659 -11.667 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.352 -5.216 -4.688 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.935 -6.275 -3.777 1.00 0.00 C ATOM 1022 C ILE A 86 -4.485 -7.634 -4.224 1.00 0.00 C ATOM 1023 O ILE A 86 -5.682 -7.900 -4.103 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.386 -5.973 -2.327 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.051 -7.145 -1.387 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.871 -5.632 -2.279 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -5.034 -8.301 -1.441 1.00 0.00 C ATOM 0 H ILE A 86 -5.293 -4.860 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.846 -6.315 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.833 -5.102 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.057 -7.519 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.006 -6.771 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.163 -5.424 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.063 -4.754 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.450 -6.474 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.718 -9.080 -0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.027 -7.948 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.063 -8.707 -2.452 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.616 -8.515 -4.761 1.00 0.00 N ATOM 1040 CA PRO A 87 -4.025 -9.835 -5.227 1.00 0.00 C ATOM 1041 C PRO A 87 -4.049 -10.867 -4.109 1.00 0.00 C ATOM 1042 O PRO A 87 -3.050 -11.080 -3.424 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.955 -10.183 -6.251 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.723 -9.487 -5.772 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.173 -8.289 -4.970 1.00 0.00 C ATOM 0 HA PRO A 87 -5.039 -9.833 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.802 -11.260 -6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.237 -9.845 -7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -1.117 -10.155 -5.160 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.104 -9.177 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.639 -8.221 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.989 -7.358 -5.507 1.00 0.00 H new ATOM 1053 N THR A 88 -5.196 -11.506 -3.929 1.00 0.00 N ATOM 1054 CA THR A 88 -5.345 -12.514 -2.886 1.00 0.00 C ATOM 1055 C THR A 88 -6.305 -13.620 -3.321 1.00 0.00 C ATOM 1056 O THR A 88 -6.591 -13.774 -4.508 1.00 0.00 O ATOM 1057 CB THR A 88 -5.832 -11.860 -1.590 1.00 0.00 C ATOM 1058 OG1 THR A 88 -5.810 -12.790 -0.520 1.00 0.00 O ATOM 1059 CG2 THR A 88 -7.236 -11.305 -1.685 1.00 0.00 C ATOM 0 H THR A 88 -6.034 -11.346 -4.488 1.00 0.00 H new ATOM 0 HA THR A 88 -4.371 -12.969 -2.709 1.00 0.00 H new ATOM 0 HB THR A 88 -5.145 -11.033 -1.411 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.702 -12.847 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.515 -10.857 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.276 -10.547 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.930 -12.110 -1.925 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.794 -14.393 -2.354 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.714 -15.488 -2.644 1.00 0.00 C ATOM 1069 C LEU A 89 -9.073 -15.259 -1.985 1.00 0.00 C ATOM 1070 O LEU A 89 -10.103 -15.688 -2.505 1.00 0.00 O ATOM 1071 CB LEU A 89 -7.119 -16.816 -2.173 1.00 0.00 C ATOM 1072 CG LEU A 89 -7.102 -17.927 -3.224 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -8.510 -18.210 -3.725 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -6.188 -17.550 -4.381 1.00 0.00 C ATOM 0 H LEU A 89 -6.569 -14.281 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.863 -15.525 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.097 -16.640 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.684 -17.163 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.715 -18.834 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.478 -19.003 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.137 -18.523 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.925 -17.307 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.187 -18.351 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.547 -16.630 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.175 -17.398 -4.010 1.00 0.00 H new ATOM 1086 N PHE A 90 -9.070 -14.584 -0.839 1.00 0.00 N ATOM 1087 CA PHE A 90 -10.304 -14.306 -0.114 1.00 0.00 C ATOM 1088 C PHE A 90 -11.024 -15.600 0.254 1.00 0.00 C ATOM 1089 O PHE A 90 -12.245 -15.618 0.413 1.00 0.00 O ATOM 1090 CB PHE A 90 -11.222 -13.427 -0.958 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.712 -12.027 -1.147 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.241 -11.296 -0.068 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -10.706 -11.442 -2.402 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -9.772 -10.007 -0.239 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -10.238 -10.154 -2.580 1.00 0.00 C ATOM 1096 CZ PHE A 90 -9.770 -9.435 -1.497 1.00 0.00 C ATOM 0 H PHE A 90 -8.228 -14.220 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.046 -13.780 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.356 -13.890 -1.935 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.204 -13.386 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.240 -11.738 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.071 -11.999 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.407 -9.447 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.238 -9.710 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.403 -8.428 -1.633 1.00 0.00 H new ATOM 1106 N ASP A 91 -10.262 -16.680 0.386 1.00 0.00 N ATOM 1107 CA ASP A 91 -10.829 -17.978 0.732 1.00 0.00 C ATOM 1108 C ASP A 91 -9.831 -18.820 1.525 1.00 0.00 C ATOM 1109 O ASP A 91 -9.951 -20.043 1.589 1.00 0.00 O ATOM 1110 CB ASP A 91 -11.252 -18.725 -0.532 1.00 0.00 C ATOM 1111 CG ASP A 91 -12.557 -19.476 -0.350 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -12.802 -19.979 0.766 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -13.334 -19.561 -1.325 1.00 0.00 O ATOM 0 H ASP A 91 -9.250 -16.682 0.259 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.706 -17.806 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.356 -18.015 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.468 -19.427 -0.815 1.00 0.00 H new ATOM 1118 N MET A 92 -8.850 -18.158 2.132 1.00 0.00 N ATOM 1119 CA MET A 92 -7.838 -18.845 2.924 1.00 0.00 C ATOM 1120 C MET A 92 -7.593 -18.102 4.230 1.00 0.00 C ATOM 1121 O MET A 92 -7.697 -18.677 5.314 1.00 0.00 O ATOM 1122 CB MET A 92 -6.533 -18.966 2.132 1.00 0.00 C ATOM 1123 CG MET A 92 -6.296 -20.354 1.560 1.00 0.00 C ATOM 1124 SD MET A 92 -7.458 -20.772 0.246 1.00 0.00 S ATOM 1125 CE MET A 92 -6.351 -20.916 -1.154 1.00 0.00 C ATOM 0 H MET A 92 -8.736 -17.145 2.090 1.00 0.00 H new ATOM 0 HA MET A 92 -8.201 -19.847 3.155 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.544 -18.243 1.316 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.698 -18.702 2.781 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.279 -20.414 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 92 -6.377 -21.091 2.359 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.934 -20.995 -2.072 1.00 0.00 H new ATOM 0 HE2 MET A 92 -5.712 -20.035 -1.205 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.733 -21.806 -1.039 1.00 0.00 H new ATOM 1135 N ASN A 93 -7.276 -16.817 4.119 1.00 0.00 N ATOM 1136 CA ASN A 93 -7.030 -15.987 5.290 1.00 0.00 C ATOM 1137 C ASN A 93 -8.327 -15.359 5.797 1.00 0.00 C ATOM 1138 O ASN A 93 -8.338 -14.680 6.824 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.013 -14.893 4.961 1.00 0.00 C ATOM 1140 CG ASN A 93 -4.582 -15.374 5.099 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -3.840 -15.439 4.118 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -4.187 -15.715 6.320 1.00 0.00 N ATOM 0 H ASN A 93 -7.184 -16.328 3.229 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.626 -16.624 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.179 -14.541 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.173 -14.041 5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.235 -16.047 6.474 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.836 -15.645 7.104 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.423 -15.590 5.072 1.00 0.00 N ATOM 1150 CA ASN A 94 -10.722 -15.046 5.452 1.00 0.00 C ATOM 1151 C ASN A 94 -10.727 -13.523 5.354 1.00 0.00 C ATOM 1152 O ASN A 94 -10.969 -12.827 6.340 1.00 0.00 O ATOM 1153 CB ASN A 94 -11.088 -15.482 6.873 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.580 -15.679 7.052 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -13.380 -15.229 6.231 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -12.963 -16.356 8.128 1.00 0.00 N ATOM 0 H ASN A 94 -9.434 -16.150 4.220 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.467 -15.437 4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.571 -16.412 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.736 -14.733 7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.955 -16.521 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.266 -16.711 8.782 1.00 0.00 H new ATOM 1163 N MET A 95 -10.459 -13.014 4.152 1.00 0.00 N ATOM 1164 CA MET A 95 -10.432 -11.571 3.904 1.00 0.00 C ATOM 1165 C MET A 95 -9.717 -10.822 5.026 1.00 0.00 C ATOM 1166 O MET A 95 -10.157 -9.755 5.454 1.00 0.00 O ATOM 1167 CB MET A 95 -11.855 -11.032 3.728 1.00 0.00 C ATOM 1168 CG MET A 95 -12.683 -11.028 5.005 1.00 0.00 C ATOM 1169 SD MET A 95 -13.710 -12.501 5.172 1.00 0.00 S ATOM 1170 CE MET A 95 -15.232 -11.942 4.414 1.00 0.00 C ATOM 0 H MET A 95 -10.256 -13.582 3.330 1.00 0.00 H new ATOM 0 HA MET A 95 -9.873 -11.404 2.983 1.00 0.00 H new ATOM 0 HB2 MET A 95 -11.801 -10.015 3.340 1.00 0.00 H new ATOM 0 HB3 MET A 95 -12.369 -11.632 2.977 1.00 0.00 H new ATOM 0 HG2 MET A 95 -12.017 -10.955 5.865 1.00 0.00 H new ATOM 0 HG3 MET A 95 -13.319 -10.143 5.018 1.00 0.00 H new ATOM 0 HE1 MET A 95 -15.968 -12.745 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 95 -15.615 -11.080 4.960 1.00 0.00 H new ATOM 0 HE3 MET A 95 -15.041 -11.660 3.379 1.00 0.00 H new ATOM 1180 N ASP A 96 -8.612 -11.389 5.495 1.00 0.00 N ATOM 1181 CA ASP A 96 -7.833 -10.778 6.566 1.00 0.00 C ATOM 1182 C ASP A 96 -6.715 -9.907 5.997 1.00 0.00 C ATOM 1183 O ASP A 96 -5.550 -10.056 6.364 1.00 0.00 O ATOM 1184 CB ASP A 96 -7.245 -11.857 7.477 1.00 0.00 C ATOM 1185 CG ASP A 96 -6.813 -11.307 8.821 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -7.555 -10.481 9.391 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -5.731 -11.703 9.304 1.00 0.00 O ATOM 0 H ASP A 96 -8.235 -12.272 5.150 1.00 0.00 H new ATOM 0 HA ASP A 96 -8.499 -10.144 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.985 -12.642 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.389 -12.318 6.984 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.081 -9.000 5.098 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.110 -8.105 4.477 1.00 0.00 C ATOM 1194 C LEU A 97 -6.777 -6.812 4.020 1.00 0.00 C ATOM 1195 O LEU A 97 -6.284 -5.717 4.293 1.00 0.00 O ATOM 1196 CB LEU A 97 -5.440 -8.794 3.287 1.00 0.00 C ATOM 1197 CG LEU A 97 -4.090 -8.206 2.873 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -3.449 -9.053 1.784 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.257 -6.769 2.403 1.00 0.00 C ATOM 0 H LEU A 97 -8.042 -8.865 4.783 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.352 -7.859 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.301 -9.848 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.116 -8.749 2.433 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.432 -8.210 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.490 -8.619 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.294 -10.066 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.104 -9.082 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.287 -6.366 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.932 -6.742 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.672 -6.168 3.212 1.00 0.00 H new ATOM 1211 N LEU A 98 -7.901 -6.947 3.323 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.637 -5.791 2.826 1.00 0.00 C ATOM 1213 C LEU A 98 -9.061 -4.879 3.973 1.00 0.00 C ATOM 1214 O LEU A 98 -9.176 -3.665 3.804 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.867 -6.249 2.035 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.758 -6.096 0.517 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -9.821 -4.628 0.124 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.473 -6.732 0.007 1.00 0.00 C ATOM 0 H LEU A 98 -8.322 -7.846 3.090 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.978 -5.226 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.058 -7.297 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.733 -5.683 2.380 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.601 -6.611 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.742 -4.538 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.768 -4.203 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.998 -4.090 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.413 -6.613 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.616 -6.246 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.468 -7.793 0.256 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.291 -5.471 5.141 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.703 -4.710 6.316 1.00 0.00 C ATOM 1232 C LYS A 99 -8.656 -3.663 6.684 1.00 0.00 C ATOM 1233 O LYS A 99 -8.986 -2.601 7.213 1.00 0.00 O ATOM 1234 CB LYS A 99 -9.937 -5.649 7.500 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.070 -6.638 7.278 1.00 0.00 C ATOM 1236 CD LYS A 99 -11.114 -7.689 8.376 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.473 -8.366 8.444 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.446 -7.580 9.253 1.00 0.00 N ATOM 0 H LYS A 99 -9.199 -6.474 5.299 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.634 -4.197 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.019 -6.201 7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.154 -5.054 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.020 -6.104 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.945 -7.125 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.342 -8.437 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.890 -7.224 9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.863 -8.498 7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.362 -9.361 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.360 -8.076 9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.086 -7.475 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.572 -6.640 8.827 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.394 -3.968 6.399 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.301 -3.051 6.700 1.00 0.00 C ATOM 1254 C GLN A 100 -6.157 -2.004 5.603 1.00 0.00 C ATOM 1255 O GLN A 100 -6.105 -0.805 5.877 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.990 -3.822 6.863 1.00 0.00 C ATOM 1257 CG GLN A 100 -3.869 -2.994 7.469 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.244 -2.400 8.813 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -4.755 -1.283 8.890 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.992 -3.148 9.880 1.00 0.00 N ATOM 0 H GLN A 100 -7.103 -4.842 5.961 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.532 -2.542 7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.167 -4.694 7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.672 -4.191 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.983 -3.619 7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.604 -2.190 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.567 -4.069 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.223 -2.802 10.811 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.096 -2.466 4.360 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.964 -1.572 3.218 1.00 0.00 C ATOM 1271 C ALA A 101 -7.152 -0.621 3.130 1.00 0.00 C ATOM 1272 O ALA A 101 -7.004 0.544 2.763 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.835 -2.378 1.934 1.00 0.00 C ATOM 0 H ALA A 101 -6.136 -3.456 4.118 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.062 -0.975 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.737 -1.699 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.953 -3.016 1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.722 -2.997 1.802 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.334 -1.131 3.468 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.552 -0.331 3.426 1.00 0.00 C ATOM 1281 C LEU A 102 -9.604 0.649 4.594 1.00 0.00 C ATOM 1282 O LEU A 102 -10.144 1.740 4.466 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.785 -1.239 3.455 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.111 -1.929 2.130 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.153 -3.017 2.339 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.596 -0.914 1.105 1.00 0.00 C ATOM 0 H LEU A 102 -8.473 -2.094 3.774 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.548 0.239 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.637 -2.003 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.647 -0.646 3.760 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.201 -2.393 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.373 -3.498 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.769 -3.759 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.064 -2.575 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.823 -1.423 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.494 -0.421 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.818 -0.170 0.934 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.037 0.248 5.728 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.021 1.087 6.912 1.00 0.00 C ATOM 1300 C LEU A 103 -7.966 2.185 6.806 1.00 0.00 C ATOM 1301 O LEU A 103 -8.174 3.306 7.264 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.771 0.245 8.165 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.028 -0.251 8.875 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.676 -1.286 9.933 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.775 0.918 9.505 1.00 0.00 C ATOM 0 H LEU A 103 -8.582 -0.657 5.848 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.999 1.561 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.165 -0.618 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.184 0.835 8.869 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.676 -0.723 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.586 -1.626 10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.181 -2.135 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.008 -0.840 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.669 0.550 10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.129 1.414 10.230 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.061 1.628 8.729 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.831 1.856 6.209 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.745 2.816 6.054 1.00 0.00 C ATOM 1319 C ILE A 104 -6.109 3.918 5.063 1.00 0.00 C ATOM 1320 O ILE A 104 -5.882 5.094 5.327 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.439 2.130 5.601 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.301 3.144 5.518 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.638 1.435 4.261 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -2.230 2.945 6.573 1.00 0.00 C ATOM 0 H ILE A 104 -6.636 0.932 5.823 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.584 3.263 7.035 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.172 1.376 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.842 3.082 4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.713 4.148 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.707 0.957 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.419 0.681 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.931 2.169 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.455 3.702 6.452 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.674 3.036 7.564 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.790 1.954 6.462 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.662 3.534 3.915 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.041 4.508 2.897 1.00 0.00 C ATOM 1338 C LEU A 105 -8.181 5.389 3.382 1.00 0.00 C ATOM 1339 O LEU A 105 -8.166 6.607 3.182 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.429 3.810 1.589 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.532 2.756 1.707 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.904 3.406 1.654 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.390 1.716 0.601 1.00 0.00 C ATOM 0 H LEU A 105 -6.856 2.563 3.668 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.175 5.141 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.750 4.568 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.540 3.336 1.173 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.429 2.256 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.674 2.639 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.004 4.113 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.021 3.933 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.181 0.972 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.467 2.205 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.420 1.226 0.684 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.173 4.781 4.029 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.316 5.529 4.545 1.00 0.00 C ATOM 1357 C HIS A 106 -9.868 6.530 5.607 1.00 0.00 C ATOM 1358 O HIS A 106 -10.160 7.716 5.516 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.359 4.577 5.136 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.614 4.482 4.323 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.629 4.616 2.947 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.897 4.259 4.692 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.869 4.484 2.510 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.658 4.268 3.549 1.00 0.00 N ATOM 0 H HIS A 106 -9.208 3.777 4.208 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.766 6.074 3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.920 3.584 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.613 4.909 6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -14.256 4.103 5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.185 4.543 1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.668 4.130 3.508 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.147 6.033 6.607 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.648 6.874 7.687 1.00 0.00 C ATOM 1375 C ASN A 107 -7.708 7.949 7.159 1.00 0.00 C ATOM 1376 O ASN A 107 -7.392 8.907 7.863 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.932 6.022 8.736 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.898 5.260 9.620 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -9.168 5.803 10.804 1.00 0.00 O flip ATOM 1380 ND2 ASN A 107 -9.401 4.202 9.248 1.00 0.00 N flip ATOM 0 H ASN A 107 -8.895 5.048 6.691 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.503 7.367 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.268 5.317 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.306 6.664 9.356 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.167 3.820 8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.053 3.706 9.856 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.239 7.790 5.922 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.334 8.749 5.317 1.00 0.00 C ATOM 1389 C ASP A 108 -7.079 9.976 4.800 1.00 0.00 C ATOM 1390 O ASP A 108 -6.907 11.084 5.310 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.549 8.094 4.169 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.086 8.474 4.176 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.548 8.740 5.272 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.480 8.506 3.086 1.00 0.00 O ATOM 0 H ASP A 108 -7.476 7.000 5.322 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.639 9.076 6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.640 7.010 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.992 8.386 3.217 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.911 9.769 3.777 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.668 10.868 3.185 1.00 0.00 C ATOM 1401 C LEU A 109 -10.112 10.896 3.687 1.00 0.00 C ATOM 1402 O LEU A 109 -10.617 11.943 4.083 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.655 10.750 1.655 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.439 12.070 0.921 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -6.981 12.246 0.541 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.325 12.139 -0.323 1.00 0.00 C ATOM 0 H LEU A 109 -8.075 8.859 3.346 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.189 11.799 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -7.869 10.054 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.601 10.318 1.328 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.716 12.882 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.853 13.194 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.367 12.242 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.674 11.428 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.159 13.087 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.076 11.316 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.372 12.064 -0.029 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.774 9.744 3.655 1.00 0.00 N ATOM 1419 CA HIS A 110 -12.165 9.649 4.094 1.00 0.00 C ATOM 1420 C HIS A 110 -12.328 10.069 5.553 1.00 0.00 C ATOM 1421 O HIS A 110 -13.435 10.360 5.996 1.00 0.00 O ATOM 1422 CB HIS A 110 -12.684 8.221 3.897 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.996 7.892 2.474 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.319 7.140 1.573 1.00 0.00 N flip ATOM 1425 CD2 HIS A 110 -14.118 8.350 1.817 1.00 0.00 C flip ATOM 1426 CE1 HIS A 110 -13.040 7.161 0.405 1.00 0.00 C flip ATOM 1427 NE2 HIS A 110 -14.120 7.897 0.578 1.00 0.00 N flip ATOM 0 H HIS A 110 -10.372 8.864 3.331 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.752 10.335 3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.939 7.518 4.269 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -13.582 8.083 4.499 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -14.879 8.983 2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.766 6.655 -0.509 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.835 8.084 -0.125 1.00 0.00 H new ATOM 1436 N GLU A 111 -11.228 10.101 6.298 1.00 0.00 N ATOM 1437 CA GLU A 111 -11.266 10.489 7.707 1.00 0.00 C ATOM 1438 C GLU A 111 -11.993 11.818 7.891 1.00 0.00 C ATOM 1439 O GLU A 111 -13.045 11.877 8.524 1.00 0.00 O ATOM 1440 CB GLU A 111 -9.842 10.588 8.263 1.00 0.00 C ATOM 1441 CG GLU A 111 -9.670 9.891 9.602 1.00 0.00 C ATOM 1442 CD GLU A 111 -8.393 10.306 10.309 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -8.207 11.525 10.525 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -7.589 9.414 10.648 1.00 0.00 O ATOM 0 H GLU A 111 -10.299 9.863 5.951 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.814 9.723 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.147 10.154 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.574 11.639 8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.525 10.117 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.663 8.812 9.449 1.00 0.00 H new ATOM 1451 N TYR A 112 -11.423 12.882 7.334 1.00 0.00 N ATOM 1452 CA TYR A 112 -12.017 14.202 7.433 1.00 0.00 C ATOM 1453 C TYR A 112 -11.194 15.231 6.665 1.00 0.00 C ATOM 1454 O TYR A 112 -11.635 15.769 5.652 1.00 0.00 O ATOM 1455 CB TYR A 112 -12.134 14.622 8.904 1.00 0.00 C ATOM 1456 CG TYR A 112 -13.558 14.839 9.360 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -14.369 15.780 8.738 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -14.081 14.117 10.422 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -15.671 15.984 9.155 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -15.385 14.316 10.844 1.00 0.00 C ATOM 1461 CZ TYR A 112 -16.171 15.246 10.206 1.00 0.00 C ATOM 1462 OH TYR A 112 -17.466 15.443 10.621 1.00 0.00 O ATOM 0 H TYR A 112 -10.549 12.851 6.809 1.00 0.00 H new ATOM 0 HA TYR A 112 -13.013 14.158 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -11.674 13.857 9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -11.568 15.541 9.057 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -13.976 16.361 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -13.463 13.389 10.927 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -16.292 16.716 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -15.782 13.744 11.669 1.00 0.00 H new ATOM 0 HH TYR A 112 -17.664 14.844 11.371 1.00 0.00 H new ATOM 1472 N VAL A 113 -9.981 15.491 7.151 1.00 0.00 N ATOM 1473 CA VAL A 113 -9.076 16.446 6.512 1.00 0.00 C ATOM 1474 C VAL A 113 -9.807 17.719 6.092 1.00 0.00 C ATOM 1475 O VAL A 113 -9.487 18.332 5.081 1.00 0.00 O ATOM 1476 CB VAL A 113 -8.373 15.828 5.281 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -9.381 15.510 4.185 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -7.283 16.762 4.767 1.00 0.00 C ATOM 0 H VAL A 113 -9.601 15.051 7.989 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.322 16.703 7.256 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.905 14.892 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.863 15.076 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.117 14.800 4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.886 16.426 3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.798 16.313 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.726 17.716 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.545 16.926 5.552 1.00 0.00 H new ATOM 1488 N GLU A 114 -10.803 18.108 6.882 1.00 0.00 N ATOM 1489 CA GLU A 114 -11.589 19.301 6.594 1.00 0.00 C ATOM 1490 C GLU A 114 -11.748 20.158 7.842 1.00 0.00 C ATOM 1491 O GLU A 114 -11.451 21.351 7.828 1.00 0.00 O ATOM 1492 CB GLU A 114 -12.969 18.909 6.051 1.00 0.00 C ATOM 1493 CG GLU A 114 -13.236 19.447 4.654 1.00 0.00 C ATOM 1494 CD GLU A 114 -14.381 18.726 3.963 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -15.443 18.568 4.592 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -14.199 18.305 2.803 1.00 0.00 O ATOM 0 H GLU A 114 -11.085 17.613 7.728 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.060 19.883 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.052 17.822 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.738 19.279 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.465 20.511 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.333 19.349 4.052 1.00 0.00 H new TER 1503 GLU A 114