USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 848 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: B 28 LYS NZ :NH3+ -168:sc= 1.02 (180deg=0) USER MOD Set 1.2: B 32 GLN : amide:sc= 0.886 K(o=1.9,f=-2.7) USER MOD Set 2.1: B 8 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -22:sc= 0.0233 USER MOD Set 3.2: A 51 THR OG1 : rot 59:sc= 1.19 USER MOD Set 4.1: A 33 TYR OH : rot 8:sc= 0.827 USER MOD Set 4.2: B 11 THR OG1 : rot 180:sc= 0.739 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.776 K(o=0.78,f=0.0025) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.033) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.77 (180deg=1.75) USER MOD Single : A 2 GLN : amide:sc= 0.0865 X(o=0.087,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.882) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -130:sc= -0.154 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 107:sc= 1.26 USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -155:sc= 0.132 (180deg=0.02) USER MOD Single : A 32 GLN : amide:sc= 0.0919 X(o=0.092,f=0) USER MOD Single : A 35 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.452 X(o=0.45,f=-0.029) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -148:sc= 1.26 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 0.805 (180deg=0.717) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -176:sc= 0 (180deg=-0.00906) USER MOD Single : B 1 MET N :NH3+ 178:sc= 0.72 (180deg=0.715) USER MOD Single : B 2 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 169:sc= 0.954 (180deg=0.859) USER MOD Single : B 10 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : B 13 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.8) USER MOD Single : B 16 THR OG1 : rot -170:sc= -0.0634 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 99:sc= 1.24 USER MOD Single : B 25 THR OG1 : rot -130:sc=-0.00566 USER MOD Single : B 31 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : B 37 ASN : amide:sc= 1.98 K(o=2,f=-1) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -158:sc= 1.22 USER MOD Single : B 49 THR OG1 : rot -85:sc= 0.712 USER MOD Single : B 50 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.801) USER MOD Single : B 51 THR OG1 : rot 55:sc= 1.22 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.736 9.147 -16.897 1.00 0.00 N ATOM 2 CA MET A 1 -4.911 8.292 -16.600 1.00 0.00 C ATOM 3 C MET A 1 -4.775 7.661 -15.215 1.00 0.00 C ATOM 4 O MET A 1 -3.662 7.406 -14.758 1.00 0.00 O ATOM 5 CB MET A 1 -5.088 7.238 -17.711 1.00 0.00 C ATOM 6 CG MET A 1 -6.343 6.366 -17.566 1.00 0.00 C ATOM 7 SD MET A 1 -6.612 5.189 -18.924 1.00 0.00 S ATOM 8 CE MET A 1 -7.139 6.305 -20.253 1.00 0.00 C ATOM 0 H1 MET A 1 -3.882 9.635 -17.804 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.618 9.851 -16.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.882 8.556 -16.956 1.00 0.00 H new ATOM 0 HA MET A 1 -5.813 8.904 -16.583 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.123 7.746 -18.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.211 6.591 -17.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.277 5.811 -16.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.214 7.017 -17.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.443 5.719 -21.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.979 6.908 -19.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.312 6.959 -20.529 1.00 0.00 H new ATOM 20 N GLN A 2 -5.900 7.425 -14.530 1.00 0.00 N ATOM 21 CA GLN A 2 -5.942 6.712 -13.240 1.00 0.00 C ATOM 22 C GLN A 2 -5.696 5.198 -13.431 1.00 0.00 C ATOM 23 O GLN A 2 -6.310 4.569 -14.297 1.00 0.00 O ATOM 24 CB GLN A 2 -7.310 6.932 -12.562 1.00 0.00 C ATOM 25 CG GLN A 2 -7.297 6.626 -11.055 1.00 0.00 C ATOM 26 CD GLN A 2 -6.983 7.856 -10.231 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.864 8.617 -9.853 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.727 8.088 -9.926 1.00 0.00 N ATOM 0 H GLN A 2 -6.819 7.725 -14.856 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.150 7.112 -12.607 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.621 7.966 -12.713 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.054 6.301 -13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.267 6.228 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.558 5.852 -10.848 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.998 7.449 -10.245 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.480 8.907 -9.370 1.00 0.00 H new ATOM 37 N TYR A 3 -4.817 4.617 -12.615 1.00 0.00 N ATOM 38 CA TYR A 3 -4.576 3.171 -12.487 1.00 0.00 C ATOM 39 C TYR A 3 -4.730 2.695 -11.031 1.00 0.00 C ATOM 40 O TYR A 3 -4.567 3.491 -10.103 1.00 0.00 O ATOM 41 CB TYR A 3 -3.182 2.843 -13.033 1.00 0.00 C ATOM 42 CG TYR A 3 -3.024 3.098 -14.522 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.320 2.078 -15.447 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.599 4.358 -14.989 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.222 2.329 -16.827 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.492 4.603 -16.371 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.821 3.594 -17.289 1.00 0.00 C ATOM 48 OH TYR A 3 -2.752 3.842 -18.626 1.00 0.00 O ATOM 0 H TYR A 3 -4.222 5.164 -11.993 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.326 2.637 -13.071 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.443 3.436 -12.493 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.961 1.795 -12.829 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.622 1.102 -15.096 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.354 5.139 -14.284 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.456 1.547 -17.534 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.157 5.567 -16.725 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.459 4.766 -18.773 1.00 0.00 H new ATOM 58 N LYS A 4 -4.972 1.399 -10.813 1.00 0.00 N ATOM 59 CA LYS A 4 -5.239 0.798 -9.492 1.00 0.00 C ATOM 60 C LYS A 4 -4.406 -0.483 -9.229 1.00 0.00 C ATOM 61 O LYS A 4 -4.021 -1.173 -10.171 1.00 0.00 O ATOM 62 CB LYS A 4 -6.754 0.526 -9.417 1.00 0.00 C ATOM 63 CG LYS A 4 -7.240 0.094 -8.026 1.00 0.00 C ATOM 64 CD LYS A 4 -8.745 -0.191 -8.010 1.00 0.00 C ATOM 65 CE LYS A 4 -9.116 -0.687 -6.609 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.530 -1.096 -6.512 1.00 0.00 N ATOM 0 H LYS A 4 -4.989 0.715 -11.569 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.932 1.489 -8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.290 1.427 -9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.010 -0.250 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.698 -0.799 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.011 0.876 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.306 0.710 -8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.999 -0.940 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.478 -1.530 -6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.918 0.102 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.675 -1.637 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.136 -0.251 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.777 -1.689 -7.330 1.00 0.00 H new ATOM 80 N LEU A 5 -4.165 -0.824 -7.959 1.00 0.00 N ATOM 81 CA LEU A 5 -3.367 -1.958 -7.463 1.00 0.00 C ATOM 82 C LEU A 5 -4.109 -2.702 -6.333 1.00 0.00 C ATOM 83 O LEU A 5 -4.535 -2.083 -5.355 1.00 0.00 O ATOM 84 CB LEU A 5 -2.036 -1.379 -6.945 1.00 0.00 C ATOM 85 CG LEU A 5 -0.838 -2.305 -6.663 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.016 -3.227 -5.458 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.455 -3.149 -7.873 1.00 0.00 C ATOM 0 H LEU A 5 -4.550 -0.275 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.194 -2.681 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.705 -0.636 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.255 -0.846 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.033 -1.609 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.124 -3.842 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.169 -2.628 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.881 -3.870 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.395 -3.783 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.300 -3.773 -8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.185 -2.495 -8.702 1.00 0.00 H new ATOM 99 N ILE A 6 -4.228 -4.027 -6.438 1.00 0.00 N ATOM 100 CA ILE A 6 -4.810 -4.919 -5.419 1.00 0.00 C ATOM 101 C ILE A 6 -3.700 -5.761 -4.777 1.00 0.00 C ATOM 102 O ILE A 6 -3.048 -6.565 -5.447 1.00 0.00 O ATOM 103 CB ILE A 6 -5.907 -5.828 -6.024 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.972 -4.983 -6.756 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.527 -6.706 -4.913 1.00 0.00 C ATOM 106 CD1 ILE A 6 -8.077 -5.802 -7.433 1.00 0.00 C ATOM 0 H ILE A 6 -3.911 -4.533 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.283 -4.306 -4.652 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.461 -6.490 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.430 -4.300 -6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.477 -4.371 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.299 -7.345 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.751 -7.326 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.969 -6.067 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.781 -5.129 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.635 -6.466 -8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.602 -6.394 -6.683 1.00 0.00 H new ATOM 118 N LEU A 7 -3.492 -5.575 -3.477 1.00 0.00 N ATOM 119 CA LEU A 7 -2.456 -6.236 -2.690 1.00 0.00 C ATOM 120 C LEU A 7 -3.022 -7.451 -1.926 1.00 0.00 C ATOM 121 O LEU A 7 -3.887 -7.321 -1.057 1.00 0.00 O ATOM 122 CB LEU A 7 -1.827 -5.186 -1.757 1.00 0.00 C ATOM 123 CG LEU A 7 -0.672 -5.723 -0.892 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.576 -6.019 -1.721 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.306 -4.699 0.178 1.00 0.00 C ATOM 0 H LEU A 7 -4.061 -4.936 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.681 -6.639 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.460 -4.355 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.602 -4.787 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.017 -6.652 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.365 -6.395 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.341 -6.768 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.914 -5.105 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.512 -5.085 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.004 -3.769 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.172 -4.510 0.812 1.00 0.00 H new ATOM 137 N ASN A 8 -2.485 -8.621 -2.259 1.00 0.00 N ATOM 138 CA ASN A 8 -2.686 -9.883 -1.553 1.00 0.00 C ATOM 139 C ASN A 8 -1.333 -10.427 -1.051 1.00 0.00 C ATOM 140 O ASN A 8 -0.342 -10.449 -1.786 1.00 0.00 O ATOM 141 CB ASN A 8 -3.424 -10.907 -2.429 1.00 0.00 C ATOM 142 CG ASN A 8 -4.559 -10.348 -3.264 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.722 -10.338 -2.872 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.233 -9.912 -4.458 1.00 0.00 N ATOM 0 H ASN A 8 -1.869 -8.720 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.322 -9.699 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.702 -11.377 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.821 -11.692 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.954 -9.554 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.259 -9.931 -4.760 1.00 0.00 H new ATOM 151 N GLY A 9 -1.301 -10.888 0.195 1.00 0.00 N ATOM 152 CA GLY A 9 -0.087 -11.410 0.840 1.00 0.00 C ATOM 153 C GLY A 9 -0.278 -11.920 2.272 1.00 0.00 C ATOM 154 O GLY A 9 -1.369 -11.844 2.841 1.00 0.00 O ATOM 0 H GLY A 9 -2.123 -10.913 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.308 -12.223 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.667 -10.623 0.849 1.00 0.00 H new ATOM 158 N LYS A 10 0.799 -12.444 2.855 1.00 0.00 N ATOM 159 CA LYS A 10 0.835 -13.077 4.185 1.00 0.00 C ATOM 160 C LYS A 10 1.121 -12.076 5.331 1.00 0.00 C ATOM 161 O LYS A 10 0.975 -12.411 6.509 1.00 0.00 O ATOM 162 CB LYS A 10 1.903 -14.187 4.175 1.00 0.00 C ATOM 163 CG LYS A 10 1.614 -15.291 3.141 1.00 0.00 C ATOM 164 CD LYS A 10 2.712 -16.363 3.157 1.00 0.00 C ATOM 165 CE LYS A 10 2.456 -17.400 2.057 1.00 0.00 C ATOM 166 NZ LYS A 10 3.522 -18.420 2.004 1.00 0.00 N ATOM 0 H LYS A 10 1.712 -12.442 2.400 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.155 -13.489 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.877 -13.745 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.964 -14.633 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.649 -15.751 3.355 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.544 -14.852 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.687 -15.898 3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.738 -16.853 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.496 -17.886 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.387 -16.897 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.312 -19.102 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.434 -17.959 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.572 -18.918 2.916 1.00 0.00 H new ATOM 180 N THR A 11 1.507 -10.845 4.980 1.00 0.00 N ATOM 181 CA THR A 11 2.028 -9.811 5.902 1.00 0.00 C ATOM 182 C THR A 11 1.318 -8.452 5.746 1.00 0.00 C ATOM 183 O THR A 11 1.224 -7.676 6.701 1.00 0.00 O ATOM 184 CB THR A 11 3.540 -9.632 5.637 1.00 0.00 C ATOM 185 OG1 THR A 11 4.223 -10.864 5.757 1.00 0.00 O ATOM 186 CG2 THR A 11 4.245 -8.644 6.564 1.00 0.00 C ATOM 0 H THR A 11 1.467 -10.522 4.013 1.00 0.00 H new ATOM 0 HA THR A 11 1.840 -10.151 6.920 1.00 0.00 H new ATOM 0 HB THR A 11 3.579 -9.232 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.178 -10.727 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.301 -8.587 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.791 -7.659 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.147 -8.980 7.596 1.00 0.00 H new ATOM 194 N LEU A 12 0.765 -8.174 4.560 1.00 0.00 N ATOM 195 CA LEU A 12 -0.059 -6.994 4.274 1.00 0.00 C ATOM 196 C LEU A 12 -1.069 -7.294 3.145 1.00 0.00 C ATOM 197 O LEU A 12 -0.728 -7.969 2.171 1.00 0.00 O ATOM 198 CB LEU A 12 0.874 -5.814 3.916 1.00 0.00 C ATOM 199 CG LEU A 12 0.199 -4.430 3.968 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.144 -4.023 5.399 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.123 -3.347 3.421 1.00 0.00 C ATOM 0 H LEU A 12 0.882 -8.782 3.749 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.644 -6.724 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.722 -5.817 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.272 -5.973 2.914 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.706 -4.517 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.618 -3.042 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.827 -4.754 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.768 -3.982 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.620 -2.381 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.035 -3.312 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.375 -3.573 2.385 1.00 0.00 H new ATOM 213 N LYS A 13 -2.291 -6.773 3.253 1.00 0.00 N ATOM 214 CA LYS A 13 -3.338 -6.850 2.220 1.00 0.00 C ATOM 215 C LYS A 13 -4.009 -5.478 2.042 1.00 0.00 C ATOM 216 O LYS A 13 -4.105 -4.718 3.005 1.00 0.00 O ATOM 217 CB LYS A 13 -4.400 -7.890 2.623 1.00 0.00 C ATOM 218 CG LYS A 13 -3.857 -9.320 2.758 1.00 0.00 C ATOM 219 CD LYS A 13 -4.991 -10.292 3.119 1.00 0.00 C ATOM 220 CE LYS A 13 -4.449 -11.715 3.292 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.515 -12.670 3.658 1.00 0.00 N ATOM 0 H LYS A 13 -2.595 -6.269 4.086 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.877 -7.149 1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.845 -7.590 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.198 -7.884 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.389 -9.628 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.084 -9.351 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.476 -9.968 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.751 -10.279 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.975 -12.038 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.678 -11.719 4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.107 -13.621 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.951 -12.377 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.238 -12.686 2.911 1.00 0.00 H new ATOM 235 N GLY A 14 -4.487 -5.127 0.846 1.00 0.00 N ATOM 236 CA GLY A 14 -5.056 -3.787 0.606 1.00 0.00 C ATOM 237 C GLY A 14 -5.370 -3.409 -0.845 1.00 0.00 C ATOM 238 O GLY A 14 -5.317 -4.243 -1.751 1.00 0.00 O ATOM 0 H GLY A 14 -4.494 -5.741 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.976 -3.702 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.360 -3.048 1.005 1.00 0.00 H new ATOM 242 N GLU A 15 -5.694 -2.129 -1.056 1.00 0.00 N ATOM 243 CA GLU A 15 -6.046 -1.516 -2.356 1.00 0.00 C ATOM 244 C GLU A 15 -5.525 -0.081 -2.472 1.00 0.00 C ATOM 245 O GLU A 15 -5.796 0.756 -1.608 1.00 0.00 O ATOM 246 CB GLU A 15 -7.570 -1.476 -2.566 1.00 0.00 C ATOM 247 CG GLU A 15 -8.194 -2.857 -2.762 1.00 0.00 C ATOM 248 CD GLU A 15 -9.700 -2.725 -2.929 1.00 0.00 C ATOM 249 OE1 GLU A 15 -10.150 -2.403 -4.052 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.431 -2.948 -1.939 1.00 0.00 O ATOM 0 H GLU A 15 -5.721 -1.453 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.576 -2.142 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.035 -0.995 -1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.793 -0.858 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.763 -3.339 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.969 -3.493 -1.906 1.00 0.00 H new ATOM 257 N THR A 16 -4.788 0.196 -3.546 1.00 0.00 N ATOM 258 CA THR A 16 -4.160 1.509 -3.803 1.00 0.00 C ATOM 259 C THR A 16 -4.349 2.012 -5.245 1.00 0.00 C ATOM 260 O THR A 16 -4.673 1.242 -6.152 1.00 0.00 O ATOM 261 CB THR A 16 -2.661 1.535 -3.430 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.862 0.967 -4.432 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.295 0.786 -2.148 1.00 0.00 C ATOM 0 H THR A 16 -4.602 -0.489 -4.278 1.00 0.00 H new ATOM 0 HA THR A 16 -4.693 2.196 -3.145 1.00 0.00 H new ATOM 0 HB THR A 16 -2.473 2.600 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.255 0.309 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.222 0.864 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.831 1.223 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.571 -0.264 -2.249 1.00 0.00 H new ATOM 271 N THR A 17 -4.172 3.314 -5.464 1.00 0.00 N ATOM 272 CA THR A 17 -4.508 4.014 -6.717 1.00 0.00 C ATOM 273 C THR A 17 -3.520 5.160 -6.998 1.00 0.00 C ATOM 274 O THR A 17 -3.106 5.878 -6.077 1.00 0.00 O ATOM 275 CB THR A 17 -5.941 4.607 -6.659 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.842 3.817 -5.906 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.572 4.769 -8.037 1.00 0.00 C ATOM 0 H THR A 17 -3.779 3.936 -4.757 1.00 0.00 H new ATOM 0 HA THR A 17 -4.447 3.275 -7.516 1.00 0.00 H new ATOM 0 HB THR A 17 -5.793 5.576 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.726 4.241 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.573 5.188 -7.932 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.960 5.439 -8.641 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.635 3.796 -8.525 1.00 0.00 H new ATOM 285 N THR A 18 -3.148 5.352 -8.268 1.00 0.00 N ATOM 286 CA THR A 18 -2.214 6.388 -8.758 1.00 0.00 C ATOM 287 C THR A 18 -2.679 6.952 -10.114 1.00 0.00 C ATOM 288 O THR A 18 -3.530 6.360 -10.781 1.00 0.00 O ATOM 289 CB THR A 18 -0.789 5.803 -8.920 1.00 0.00 C ATOM 290 OG1 THR A 18 0.170 6.821 -9.083 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.629 4.853 -10.113 1.00 0.00 C ATOM 0 H THR A 18 -3.503 4.765 -9.023 1.00 0.00 H new ATOM 0 HA THR A 18 -2.199 7.191 -8.021 1.00 0.00 H new ATOM 0 HB THR A 18 -0.632 5.242 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.699 6.906 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.398 4.489 -10.153 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.309 4.009 -10.000 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.862 5.385 -11.035 1.00 0.00 H new ATOM 299 N GLU A 19 -2.138 8.096 -10.538 1.00 0.00 N ATOM 300 CA GLU A 19 -2.364 8.732 -11.855 1.00 0.00 C ATOM 301 C GLU A 19 -1.036 8.864 -12.597 1.00 0.00 C ATOM 302 O GLU A 19 -0.094 9.475 -12.089 1.00 0.00 O ATOM 303 CB GLU A 19 -3.081 10.080 -11.687 1.00 0.00 C ATOM 304 CG GLU A 19 -3.687 10.653 -12.967 1.00 0.00 C ATOM 305 CD GLU A 19 -2.660 11.308 -13.878 1.00 0.00 C ATOM 306 OE1 GLU A 19 -2.018 12.295 -13.456 1.00 0.00 O ATOM 307 OE2 GLU A 19 -2.549 10.858 -15.038 1.00 0.00 O ATOM 0 H GLU A 19 -1.500 8.635 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.018 8.103 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.874 9.963 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.373 10.803 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.189 9.854 -13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.449 11.387 -12.703 1.00 0.00 H new ATOM 314 N ALA A 20 -0.932 8.204 -13.749 1.00 0.00 N ATOM 315 CA ALA A 20 0.296 8.020 -14.511 1.00 0.00 C ATOM 316 C ALA A 20 0.072 8.245 -16.016 1.00 0.00 C ATOM 317 O ALA A 20 -1.052 8.149 -16.522 1.00 0.00 O ATOM 318 CB ALA A 20 0.804 6.604 -14.248 1.00 0.00 C ATOM 0 H ALA A 20 -1.738 7.765 -14.194 1.00 0.00 H new ATOM 0 HA ALA A 20 1.034 8.756 -14.192 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.725 6.438 -14.807 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.999 6.479 -13.183 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.051 5.883 -14.566 1.00 0.00 H new ATOM 324 N VAL A 21 1.163 8.502 -16.737 1.00 0.00 N ATOM 325 CA VAL A 21 1.097 8.739 -18.197 1.00 0.00 C ATOM 326 C VAL A 21 0.615 7.490 -18.952 1.00 0.00 C ATOM 327 O VAL A 21 -0.214 7.607 -19.860 1.00 0.00 O ATOM 328 CB VAL A 21 2.414 9.303 -18.757 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.595 8.398 -18.427 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.370 9.556 -20.269 1.00 0.00 C ATOM 0 H VAL A 21 2.103 8.553 -16.345 1.00 0.00 H new ATOM 0 HA VAL A 21 0.348 9.513 -18.364 1.00 0.00 H new ATOM 0 HB VAL A 21 2.547 10.267 -18.266 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.509 8.828 -18.838 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.692 8.306 -17.345 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.430 7.412 -18.861 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.330 9.953 -20.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.166 8.620 -20.789 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.583 10.275 -20.495 1.00 0.00 H new ATOM 340 N ASP A 22 1.043 6.290 -18.539 1.00 0.00 N ATOM 341 CA ASP A 22 0.636 4.991 -19.089 1.00 0.00 C ATOM 342 C ASP A 22 0.743 3.866 -18.040 1.00 0.00 C ATOM 343 O ASP A 22 1.290 4.045 -16.947 1.00 0.00 O ATOM 344 CB ASP A 22 1.515 4.670 -20.324 1.00 0.00 C ATOM 345 CG ASP A 22 3.047 4.694 -20.100 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.516 4.520 -18.948 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.786 4.879 -21.097 1.00 0.00 O ATOM 0 H ASP A 22 1.714 6.194 -17.777 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.411 5.051 -19.385 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.239 3.682 -20.693 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.273 5.384 -21.111 1.00 0.00 H new ATOM 352 N ALA A 23 0.225 2.695 -18.405 1.00 0.00 N ATOM 353 CA ALA A 23 0.212 1.494 -17.569 1.00 0.00 C ATOM 354 C ALA A 23 1.613 1.076 -17.084 1.00 0.00 C ATOM 355 O ALA A 23 1.747 0.557 -15.984 1.00 0.00 O ATOM 356 CB ALA A 23 -0.462 0.354 -18.344 1.00 0.00 C ATOM 0 H ALA A 23 -0.210 2.550 -19.316 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.356 1.723 -16.667 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.476 -0.546 -17.729 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.484 0.639 -18.594 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.095 0.158 -19.260 1.00 0.00 H new ATOM 362 N ALA A 24 2.667 1.336 -17.861 1.00 0.00 N ATOM 363 CA ALA A 24 4.044 1.014 -17.522 1.00 0.00 C ATOM 364 C ALA A 24 4.603 1.979 -16.465 1.00 0.00 C ATOM 365 O ALA A 24 5.307 1.554 -15.552 1.00 0.00 O ATOM 366 CB ALA A 24 4.895 1.025 -18.796 1.00 0.00 C ATOM 0 H ALA A 24 2.577 1.790 -18.770 1.00 0.00 H new ATOM 0 HA ALA A 24 4.076 0.017 -17.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.928 0.784 -18.546 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.510 0.285 -19.497 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.854 2.014 -19.253 1.00 0.00 H new ATOM 372 N THR A 25 4.247 3.264 -16.510 1.00 0.00 N ATOM 373 CA THR A 25 4.539 4.236 -15.446 1.00 0.00 C ATOM 374 C THR A 25 3.769 3.925 -14.158 1.00 0.00 C ATOM 375 O THR A 25 4.372 3.877 -13.085 1.00 0.00 O ATOM 376 CB THR A 25 4.257 5.663 -15.921 1.00 0.00 C ATOM 377 OG1 THR A 25 4.944 5.902 -17.131 1.00 0.00 O ATOM 378 CG2 THR A 25 4.721 6.717 -14.911 1.00 0.00 C ATOM 0 H THR A 25 3.740 3.668 -17.297 1.00 0.00 H new ATOM 0 HA THR A 25 5.601 4.154 -15.214 1.00 0.00 H new ATOM 0 HB THR A 25 3.177 5.746 -16.046 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.359 5.686 -17.887 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.498 7.712 -15.295 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.200 6.568 -13.965 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.795 6.621 -14.753 1.00 0.00 H new ATOM 386 N ALA A 26 2.470 3.616 -14.230 1.00 0.00 N ATOM 387 CA ALA A 26 1.714 3.161 -13.054 1.00 0.00 C ATOM 388 C ALA A 26 2.254 1.841 -12.461 1.00 0.00 C ATOM 389 O ALA A 26 2.394 1.727 -11.245 1.00 0.00 O ATOM 390 CB ALA A 26 0.241 3.014 -13.423 1.00 0.00 C ATOM 0 H ALA A 26 1.920 3.672 -15.087 1.00 0.00 H new ATOM 0 HA ALA A 26 1.834 3.917 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.320 2.677 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.149 3.976 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.138 2.284 -14.226 1.00 0.00 H new ATOM 396 N GLU A 27 2.656 0.904 -13.330 1.00 0.00 N ATOM 397 CA GLU A 27 3.369 -0.334 -12.945 1.00 0.00 C ATOM 398 C GLU A 27 4.701 -0.014 -12.279 1.00 0.00 C ATOM 399 O GLU A 27 5.037 -0.630 -11.272 1.00 0.00 O ATOM 400 CB GLU A 27 3.613 -1.292 -14.126 1.00 0.00 C ATOM 401 CG GLU A 27 4.064 -2.681 -13.665 1.00 0.00 C ATOM 402 CD GLU A 27 4.510 -3.524 -14.852 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.649 -3.938 -15.660 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.729 -3.791 -14.959 1.00 0.00 O ATOM 0 H GLU A 27 2.496 0.980 -14.334 1.00 0.00 H new ATOM 0 HA GLU A 27 2.711 -0.842 -12.240 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.698 -1.385 -14.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.370 -0.867 -14.785 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.883 -2.585 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.246 -3.180 -13.145 1.00 0.00 H new ATOM 411 N LYS A 28 5.445 0.981 -12.765 1.00 0.00 N ATOM 412 CA LYS A 28 6.690 1.427 -12.115 1.00 0.00 C ATOM 413 C LYS A 28 6.461 2.087 -10.739 1.00 0.00 C ATOM 414 O LYS A 28 7.167 1.761 -9.783 1.00 0.00 O ATOM 415 CB LYS A 28 7.420 2.354 -13.105 1.00 0.00 C ATOM 416 CG LYS A 28 8.763 2.904 -12.603 1.00 0.00 C ATOM 417 CD LYS A 28 9.501 3.711 -13.687 1.00 0.00 C ATOM 418 CE LYS A 28 8.709 4.935 -14.172 1.00 0.00 C ATOM 419 NZ LYS A 28 9.449 5.696 -15.201 1.00 0.00 N ATOM 0 H LYS A 28 5.210 1.499 -13.611 1.00 0.00 H new ATOM 0 HA LYS A 28 7.309 0.560 -11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.591 1.808 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.767 3.193 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.592 3.538 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.393 2.077 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.463 4.041 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.709 3.061 -14.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.751 4.610 -14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.491 5.586 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.882 6.514 -15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.352 6.028 -14.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.635 5.082 -16.020 1.00 0.00 H new ATOM 433 N VAL A 29 5.478 2.979 -10.579 1.00 0.00 N ATOM 434 CA VAL A 29 5.102 3.543 -9.260 1.00 0.00 C ATOM 435 C VAL A 29 4.638 2.447 -8.289 1.00 0.00 C ATOM 436 O VAL A 29 5.133 2.357 -7.166 1.00 0.00 O ATOM 437 CB VAL A 29 4.013 4.625 -9.426 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.483 5.157 -8.089 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.569 5.826 -10.205 1.00 0.00 C ATOM 0 H VAL A 29 4.916 3.335 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 29 5.990 4.006 -8.830 1.00 0.00 H new ATOM 0 HB VAL A 29 3.196 4.140 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.721 5.914 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.048 4.337 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.303 5.599 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.790 6.581 -10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.413 6.252 -9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.898 5.499 -11.191 1.00 0.00 H new ATOM 449 N PHE A 30 3.753 1.556 -8.732 1.00 0.00 N ATOM 450 CA PHE A 30 3.325 0.420 -7.914 1.00 0.00 C ATOM 451 C PHE A 30 4.483 -0.515 -7.525 1.00 0.00 C ATOM 452 O PHE A 30 4.575 -0.937 -6.372 1.00 0.00 O ATOM 453 CB PHE A 30 2.251 -0.397 -8.630 1.00 0.00 C ATOM 454 CG PHE A 30 0.922 0.293 -8.899 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.351 1.182 -7.961 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.240 0.026 -10.102 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.880 1.804 -8.239 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.983 0.659 -10.380 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.544 1.540 -9.444 1.00 0.00 C ATOM 0 H PHE A 30 3.317 1.598 -9.653 1.00 0.00 H new ATOM 0 HA PHE A 30 2.921 0.853 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.659 -0.730 -9.584 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.055 -1.291 -8.038 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.860 1.384 -7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.659 -0.669 -10.814 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.314 2.486 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.491 0.467 -11.314 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.491 2.016 -9.653 1.00 0.00 H new ATOM 469 N LYS A 31 5.403 -0.805 -8.448 1.00 0.00 N ATOM 470 CA LYS A 31 6.605 -1.574 -8.120 1.00 0.00 C ATOM 471 C LYS A 31 7.507 -0.825 -7.133 1.00 0.00 C ATOM 472 O LYS A 31 8.080 -1.451 -6.247 1.00 0.00 O ATOM 473 CB LYS A 31 7.374 -1.981 -9.386 1.00 0.00 C ATOM 474 CG LYS A 31 6.721 -3.216 -10.022 1.00 0.00 C ATOM 475 CD LYS A 31 7.449 -3.645 -11.304 1.00 0.00 C ATOM 476 CE LYS A 31 6.811 -4.891 -11.936 1.00 0.00 C ATOM 477 NZ LYS A 31 7.046 -6.118 -11.144 1.00 0.00 N ATOM 0 H LYS A 31 5.339 -0.520 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 31 6.277 -2.489 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.381 -1.156 -10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.413 -2.196 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.726 -4.039 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.678 -2.999 -10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.433 -2.825 -12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.495 -3.849 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.738 -4.731 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.212 -5.030 -12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.990 -6.949 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.989 -6.074 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.324 -6.194 -10.400 1.00 0.00 H new ATOM 491 N GLN A 32 7.602 0.504 -7.167 1.00 0.00 N ATOM 492 CA GLN A 32 8.370 1.259 -6.163 1.00 0.00 C ATOM 493 C GLN A 32 7.820 1.083 -4.727 1.00 0.00 C ATOM 494 O GLN A 32 8.599 0.962 -3.780 1.00 0.00 O ATOM 495 CB GLN A 32 8.422 2.731 -6.615 1.00 0.00 C ATOM 496 CG GLN A 32 9.580 2.966 -7.591 1.00 0.00 C ATOM 497 CD GLN A 32 9.507 4.348 -8.201 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.217 5.265 -7.810 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.640 4.532 -9.171 1.00 0.00 N ATOM 0 H GLN A 32 7.158 1.085 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 32 9.384 0.863 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.480 3.002 -7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.538 3.378 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.529 2.845 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.552 2.215 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.055 3.758 -9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.552 5.449 -9.609 1.00 0.00 H new ATOM 508 N TYR A 33 6.496 0.970 -4.567 1.00 0.00 N ATOM 509 CA TYR A 33 5.831 0.629 -3.292 1.00 0.00 C ATOM 510 C TYR A 33 5.750 -0.889 -2.955 1.00 0.00 C ATOM 511 O TYR A 33 5.633 -1.242 -1.780 1.00 0.00 O ATOM 512 CB TYR A 33 4.410 1.227 -3.308 1.00 0.00 C ATOM 513 CG TYR A 33 4.311 2.711 -2.969 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.660 3.704 -3.908 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.802 3.104 -1.716 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.497 5.068 -3.596 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.656 4.468 -1.398 1.00 0.00 C ATOM 518 CZ TYR A 33 3.995 5.451 -2.340 1.00 0.00 C ATOM 519 OH TYR A 33 3.837 6.766 -2.025 1.00 0.00 O ATOM 0 H TYR A 33 5.838 1.115 -5.333 1.00 0.00 H new ATOM 0 HA TYR A 33 6.457 1.055 -2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.981 1.070 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.794 0.670 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.054 3.417 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.521 2.353 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.758 5.822 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.282 4.758 -0.427 1.00 0.00 H new ATOM 0 HH TYR A 33 3.993 7.314 -2.822 1.00 0.00 H new ATOM 529 N PHE A 34 5.856 -1.776 -3.954 1.00 0.00 N ATOM 530 CA PHE A 34 5.577 -3.227 -3.803 1.00 0.00 C ATOM 531 C PHE A 34 6.537 -4.253 -4.472 1.00 0.00 C ATOM 532 O PHE A 34 6.159 -5.414 -4.646 1.00 0.00 O ATOM 533 CB PHE A 34 4.109 -3.496 -4.207 1.00 0.00 C ATOM 534 CG PHE A 34 3.061 -2.663 -3.485 1.00 0.00 C ATOM 535 CD1 PHE A 34 2.908 -2.773 -2.088 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.229 -1.783 -4.205 1.00 0.00 C ATOM 537 CE1 PHE A 34 1.951 -1.992 -1.416 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.266 -1.010 -3.534 1.00 0.00 C ATOM 539 CZ PHE A 34 1.129 -1.112 -2.139 1.00 0.00 C ATOM 0 H PHE A 34 6.139 -1.514 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 34 5.770 -3.418 -2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.009 -3.322 -5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.891 -4.550 -4.033 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.528 -3.460 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.332 -1.702 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.848 -2.069 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.631 -0.337 -4.091 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.392 -0.514 -1.623 1.00 0.00 H new ATOM 549 N ASN A 35 7.777 -3.896 -4.829 1.00 0.00 N ATOM 550 CA ASN A 35 8.707 -4.855 -5.467 1.00 0.00 C ATOM 551 C ASN A 35 9.371 -5.869 -4.497 1.00 0.00 C ATOM 552 O ASN A 35 9.611 -7.011 -4.898 1.00 0.00 O ATOM 553 CB ASN A 35 9.755 -4.147 -6.349 1.00 0.00 C ATOM 554 CG ASN A 35 10.847 -3.414 -5.583 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.912 -3.953 -5.317 1.00 0.00 O ATOM 556 ND2 ASN A 35 10.626 -2.169 -5.220 1.00 0.00 N ATOM 0 H ASN A 35 8.163 -2.962 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 35 8.069 -5.459 -6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.222 -4.887 -6.999 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.243 -3.434 -6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.344 -1.650 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.736 -1.723 -5.444 1.00 0.00 H new ATOM 563 N ASP A 36 9.672 -5.476 -3.246 1.00 0.00 N ATOM 564 CA ASP A 36 10.498 -6.281 -2.303 1.00 0.00 C ATOM 565 C ASP A 36 10.382 -5.913 -0.809 1.00 0.00 C ATOM 566 O ASP A 36 11.109 -6.454 0.026 1.00 0.00 O ATOM 567 CB ASP A 36 11.973 -6.112 -2.720 1.00 0.00 C ATOM 568 CG ASP A 36 12.967 -7.121 -2.098 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.754 -8.353 -2.227 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.999 -6.680 -1.532 1.00 0.00 O ATOM 0 H ASP A 36 9.353 -4.591 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 36 10.123 -7.302 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.036 -6.191 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.293 -5.104 -2.455 1.00 0.00 H new ATOM 575 N ASN A 37 9.487 -4.989 -0.450 1.00 0.00 N ATOM 576 CA ASN A 37 9.326 -4.565 0.954 1.00 0.00 C ATOM 577 C ASN A 37 8.824 -5.722 1.856 1.00 0.00 C ATOM 578 O ASN A 37 9.173 -5.824 3.034 1.00 0.00 O ATOM 579 CB ASN A 37 8.403 -3.338 1.003 1.00 0.00 C ATOM 580 CG ASN A 37 9.002 -2.148 0.264 1.00 0.00 C ATOM 581 OD1 ASN A 37 10.145 -1.762 0.479 1.00 0.00 O ATOM 582 ND2 ASN A 37 8.269 -1.550 -0.652 1.00 0.00 N ATOM 0 H ASN A 37 8.862 -4.518 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 37 10.299 -4.285 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.439 -3.591 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.217 -3.065 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.653 -0.767 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.317 -1.870 -0.832 1.00 0.00 H new ATOM 589 N GLY A 38 8.028 -6.605 1.250 1.00 0.00 N ATOM 590 CA GLY A 38 7.533 -7.839 1.884 1.00 0.00 C ATOM 591 C GLY A 38 6.743 -8.814 1.010 1.00 0.00 C ATOM 592 O GLY A 38 6.924 -10.027 1.134 1.00 0.00 O ATOM 0 H GLY A 38 7.702 -6.486 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.390 -8.373 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.902 -7.555 2.726 1.00 0.00 H new ATOM 596 N VAL A 39 5.883 -8.309 0.120 1.00 0.00 N ATOM 597 CA VAL A 39 4.994 -9.147 -0.706 1.00 0.00 C ATOM 598 C VAL A 39 5.758 -10.018 -1.717 1.00 0.00 C ATOM 599 O VAL A 39 5.519 -11.223 -1.773 1.00 0.00 O ATOM 600 CB VAL A 39 3.884 -8.297 -1.364 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.388 -7.160 -2.267 1.00 0.00 C ATOM 602 CG2 VAL A 39 2.891 -9.155 -2.151 1.00 0.00 C ATOM 0 H VAL A 39 5.780 -7.309 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 39 4.505 -9.854 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 39 3.385 -7.831 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.537 -6.621 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.001 -6.475 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.985 -7.577 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.129 -8.515 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.419 -9.692 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.417 -9.871 -1.480 1.00 0.00 H new ATOM 612 N ASP A 40 6.714 -9.444 -2.469 1.00 0.00 N ATOM 613 CA ASP A 40 7.506 -10.106 -3.539 1.00 0.00 C ATOM 614 C ASP A 40 6.690 -11.120 -4.384 1.00 0.00 C ATOM 615 O ASP A 40 7.114 -12.250 -4.645 1.00 0.00 O ATOM 616 CB ASP A 40 8.789 -10.702 -2.917 1.00 0.00 C ATOM 617 CG ASP A 40 9.799 -11.291 -3.931 1.00 0.00 C ATOM 618 OD1 ASP A 40 9.977 -10.724 -5.038 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.447 -12.316 -3.603 1.00 0.00 O ATOM 0 H ASP A 40 6.972 -8.465 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 40 7.796 -9.353 -4.272 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.289 -9.924 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.504 -11.486 -2.215 1.00 0.00 H new ATOM 624 N GLY A 41 5.469 -10.724 -4.751 1.00 0.00 N ATOM 625 CA GLY A 41 4.454 -11.593 -5.364 1.00 0.00 C ATOM 626 C GLY A 41 4.463 -11.657 -6.898 1.00 0.00 C ATOM 627 O GLY A 41 5.225 -10.962 -7.575 1.00 0.00 O ATOM 0 H GLY A 41 5.147 -9.764 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.587 -12.603 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.470 -11.254 -5.040 1.00 0.00 H new ATOM 631 N GLU A 42 3.579 -12.497 -7.445 1.00 0.00 N ATOM 632 CA GLU A 42 3.266 -12.610 -8.883 1.00 0.00 C ATOM 633 C GLU A 42 2.342 -11.477 -9.331 1.00 0.00 C ATOM 634 O GLU A 42 1.214 -11.354 -8.848 1.00 0.00 O ATOM 635 CB GLU A 42 2.605 -13.968 -9.180 1.00 0.00 C ATOM 636 CG GLU A 42 2.347 -14.234 -10.665 1.00 0.00 C ATOM 637 CD GLU A 42 3.652 -14.422 -11.430 1.00 0.00 C ATOM 638 OE1 GLU A 42 4.129 -15.576 -11.513 1.00 0.00 O ATOM 639 OE2 GLU A 42 4.185 -13.422 -11.961 1.00 0.00 O ATOM 0 H GLU A 42 3.035 -13.147 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 42 4.201 -12.536 -9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.240 -14.761 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.658 -14.022 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.727 -15.124 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.788 -13.402 -11.094 1.00 0.00 H new ATOM 646 N TRP A 43 2.822 -10.645 -10.249 1.00 0.00 N ATOM 647 CA TRP A 43 2.076 -9.514 -10.813 1.00 0.00 C ATOM 648 C TRP A 43 1.091 -9.956 -11.917 1.00 0.00 C ATOM 649 O TRP A 43 1.364 -10.865 -12.704 1.00 0.00 O ATOM 650 CB TRP A 43 3.072 -8.462 -11.327 1.00 0.00 C ATOM 651 CG TRP A 43 3.835 -7.761 -10.239 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.811 -8.308 -9.478 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.649 -6.406 -9.721 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.208 -7.414 -8.506 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.505 -6.233 -8.592 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.828 -5.313 -10.078 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.523 -5.056 -7.836 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.849 -4.119 -9.332 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.679 -3.997 -8.205 1.00 0.00 C ATOM 0 H TRP A 43 3.762 -10.736 -10.634 1.00 0.00 H new ATOM 0 HA TRP A 43 1.463 -9.074 -10.027 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.780 -8.945 -12.000 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.531 -7.720 -11.913 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.219 -9.299 -9.612 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.931 -7.603 -7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.175 -5.394 -10.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.177 -4.964 -6.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.222 -3.291 -9.628 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.668 -3.088 -7.622 1.00 0.00 H new ATOM 670 N THR A 44 -0.069 -9.300 -11.968 1.00 0.00 N ATOM 671 CA THR A 44 -1.131 -9.473 -12.983 1.00 0.00 C ATOM 672 C THR A 44 -1.705 -8.100 -13.377 1.00 0.00 C ATOM 673 O THR A 44 -1.673 -7.174 -12.562 1.00 0.00 O ATOM 674 CB THR A 44 -2.266 -10.370 -12.437 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.764 -11.527 -11.798 1.00 0.00 O ATOM 676 CG2 THR A 44 -3.245 -10.855 -13.510 1.00 0.00 C ATOM 0 H THR A 44 -0.314 -8.596 -11.271 1.00 0.00 H new ATOM 0 HA THR A 44 -0.696 -9.953 -13.860 1.00 0.00 H new ATOM 0 HB THR A 44 -2.791 -9.722 -11.735 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.511 -12.067 -11.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.011 -11.478 -13.049 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.715 -9.996 -13.988 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.706 -11.437 -14.258 1.00 0.00 H new ATOM 684 N TYR A 45 -2.259 -7.947 -14.587 1.00 0.00 N ATOM 685 CA TYR A 45 -2.912 -6.710 -15.057 1.00 0.00 C ATOM 686 C TYR A 45 -4.135 -6.984 -15.954 1.00 0.00 C ATOM 687 O TYR A 45 -4.091 -7.842 -16.842 1.00 0.00 O ATOM 688 CB TYR A 45 -1.883 -5.864 -15.825 1.00 0.00 C ATOM 689 CG TYR A 45 -2.421 -4.572 -16.423 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.964 -3.579 -15.588 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.371 -4.353 -17.815 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.458 -2.379 -16.135 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.857 -3.147 -18.359 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.407 -2.165 -17.520 1.00 0.00 C ATOM 695 OH TYR A 45 -3.899 -1.010 -18.045 1.00 0.00 O ATOM 0 H TYR A 45 -2.268 -8.692 -15.283 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.278 -6.175 -14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.062 -5.619 -15.151 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.465 -6.471 -16.628 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.002 -3.738 -14.520 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.960 -5.111 -18.465 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.876 -1.623 -15.487 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.806 -2.978 -19.424 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.267 -1.186 -18.936 1.00 0.00 H new ATOM 705 N ASP A 46 -5.211 -6.219 -15.740 1.00 0.00 N ATOM 706 CA ASP A 46 -6.431 -6.152 -16.558 1.00 0.00 C ATOM 707 C ASP A 46 -6.614 -4.741 -17.135 1.00 0.00 C ATOM 708 O ASP A 46 -7.004 -3.806 -16.428 1.00 0.00 O ATOM 709 CB ASP A 46 -7.656 -6.579 -15.724 1.00 0.00 C ATOM 710 CG ASP A 46 -7.687 -8.087 -15.404 1.00 0.00 C ATOM 711 OD1 ASP A 46 -8.091 -8.881 -16.289 1.00 0.00 O ATOM 712 OD2 ASP A 46 -7.339 -8.479 -14.264 1.00 0.00 O ATOM 0 H ASP A 46 -5.258 -5.589 -14.939 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.334 -6.844 -17.395 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.663 -6.017 -14.790 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.564 -6.312 -16.264 1.00 0.00 H new ATOM 717 N ASP A 47 -6.324 -4.576 -18.429 1.00 0.00 N ATOM 718 CA ASP A 47 -6.424 -3.290 -19.147 1.00 0.00 C ATOM 719 C ASP A 47 -7.868 -2.807 -19.338 1.00 0.00 C ATOM 720 O ASP A 47 -8.126 -1.605 -19.387 1.00 0.00 O ATOM 721 CB ASP A 47 -5.712 -3.414 -20.507 1.00 0.00 C ATOM 722 CG ASP A 47 -5.505 -2.049 -21.186 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.802 -1.186 -20.605 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.083 -1.819 -22.275 1.00 0.00 O ATOM 0 H ASP A 47 -6.007 -5.343 -19.023 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.937 -2.535 -18.529 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.745 -3.897 -20.365 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.297 -4.058 -21.163 1.00 0.00 H new ATOM 729 N ALA A 48 -8.809 -3.748 -19.372 1.00 0.00 N ATOM 730 CA ALA A 48 -10.256 -3.500 -19.383 1.00 0.00 C ATOM 731 C ALA A 48 -10.736 -2.615 -18.214 1.00 0.00 C ATOM 732 O ALA A 48 -11.752 -1.922 -18.316 1.00 0.00 O ATOM 733 CB ALA A 48 -10.975 -4.851 -19.312 1.00 0.00 C ATOM 0 H ALA A 48 -8.580 -4.742 -19.394 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.488 -2.960 -20.301 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.053 -4.690 -19.319 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.693 -5.459 -20.172 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.691 -5.367 -18.395 1.00 0.00 H new ATOM 739 N THR A 49 -10.003 -2.660 -17.101 1.00 0.00 N ATOM 740 CA THR A 49 -10.373 -2.075 -15.806 1.00 0.00 C ATOM 741 C THR A 49 -9.263 -1.180 -15.218 1.00 0.00 C ATOM 742 O THR A 49 -9.338 -0.774 -14.055 1.00 0.00 O ATOM 743 CB THR A 49 -10.741 -3.200 -14.817 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.600 -3.925 -14.421 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.728 -4.227 -15.379 1.00 0.00 C ATOM 0 H THR A 49 -9.095 -3.125 -17.073 1.00 0.00 H new ATOM 0 HA THR A 49 -11.236 -1.430 -15.971 1.00 0.00 H new ATOM 0 HB THR A 49 -11.205 -2.676 -13.982 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.895 -3.818 -15.093 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.935 -4.984 -14.623 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.656 -3.726 -15.655 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.296 -4.703 -16.260 1.00 0.00 H new ATOM 753 N LYS A 50 -8.210 -0.883 -15.998 1.00 0.00 N ATOM 754 CA LYS A 50 -6.962 -0.214 -15.581 1.00 0.00 C ATOM 755 C LYS A 50 -6.450 -0.646 -14.186 1.00 0.00 C ATOM 756 O LYS A 50 -6.044 0.184 -13.366 1.00 0.00 O ATOM 757 CB LYS A 50 -7.094 1.316 -15.742 1.00 0.00 C ATOM 758 CG LYS A 50 -7.564 1.791 -17.130 1.00 0.00 C ATOM 759 CD LYS A 50 -6.723 1.232 -18.289 1.00 0.00 C ATOM 760 CE LYS A 50 -7.251 1.724 -19.640 1.00 0.00 C ATOM 761 NZ LYS A 50 -6.943 0.773 -20.723 1.00 0.00 N ATOM 0 H LYS A 50 -8.205 -1.115 -16.991 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.176 -0.553 -16.255 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.795 1.685 -14.993 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.128 1.773 -15.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.604 1.497 -17.272 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.533 2.880 -17.162 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.683 1.537 -18.168 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.741 0.142 -18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.330 1.869 -19.579 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.811 2.694 -19.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.129 1.222 -21.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.942 0.497 -20.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.541 -0.072 -20.623 1.00 0.00 H new ATOM 775 N THR A 51 -6.494 -1.952 -13.906 1.00 0.00 N ATOM 776 CA THR A 51 -6.209 -2.500 -12.563 1.00 0.00 C ATOM 777 C THR A 51 -5.151 -3.607 -12.595 1.00 0.00 C ATOM 778 O THR A 51 -5.189 -4.525 -13.415 1.00 0.00 O ATOM 779 CB THR A 51 -7.489 -2.998 -11.860 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.444 -1.965 -11.733 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.236 -3.500 -10.433 1.00 0.00 C ATOM 0 H THR A 51 -6.727 -2.664 -14.598 1.00 0.00 H new ATOM 0 HA THR A 51 -5.802 -1.672 -11.982 1.00 0.00 H new ATOM 0 HB THR A 51 -7.845 -3.811 -12.492 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.678 -1.625 -12.622 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.175 -3.836 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.530 -4.330 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.823 -2.691 -9.831 1.00 0.00 H new ATOM 789 N PHE A 52 -4.214 -3.513 -11.658 1.00 0.00 N ATOM 790 CA PHE A 52 -3.122 -4.432 -11.359 1.00 0.00 C ATOM 791 C PHE A 52 -3.452 -5.252 -10.101 1.00 0.00 C ATOM 792 O PHE A 52 -4.097 -4.755 -9.176 1.00 0.00 O ATOM 793 CB PHE A 52 -1.815 -3.659 -11.143 1.00 0.00 C ATOM 794 CG PHE A 52 -1.212 -3.069 -12.400 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.638 -1.813 -12.876 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.217 -3.780 -13.099 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.064 -1.265 -14.037 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.341 -3.240 -14.269 1.00 0.00 C ATOM 799 CZ PHE A 52 -0.083 -1.986 -14.737 1.00 0.00 C ATOM 0 H PHE A 52 -4.199 -2.712 -11.027 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.997 -5.107 -12.206 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.999 -2.853 -10.432 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.085 -4.327 -10.686 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.407 -1.270 -12.348 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.117 -4.741 -12.735 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.377 -0.293 -14.389 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.097 -3.790 -14.810 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.347 -1.575 -15.638 1.00 0.00 H new ATOM 809 N THR A 53 -3.010 -6.502 -10.067 1.00 0.00 N ATOM 810 CA THR A 53 -3.121 -7.376 -8.887 1.00 0.00 C ATOM 811 C THR A 53 -1.741 -7.939 -8.523 1.00 0.00 C ATOM 812 O THR A 53 -0.919 -8.201 -9.405 1.00 0.00 O ATOM 813 CB THR A 53 -4.143 -8.507 -9.132 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.390 -7.983 -9.541 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.419 -9.367 -7.896 1.00 0.00 C ATOM 0 H THR A 53 -2.557 -6.951 -10.863 1.00 0.00 H new ATOM 0 HA THR A 53 -3.485 -6.787 -8.045 1.00 0.00 H new ATOM 0 HB THR A 53 -3.685 -9.125 -9.904 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.020 -8.718 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.146 -10.140 -8.145 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.492 -9.835 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.815 -8.740 -7.098 1.00 0.00 H new ATOM 823 N VAL A 54 -1.483 -8.121 -7.225 1.00 0.00 N ATOM 824 CA VAL A 54 -0.246 -8.716 -6.677 1.00 0.00 C ATOM 825 C VAL A 54 -0.613 -9.768 -5.626 1.00 0.00 C ATOM 826 O VAL A 54 -1.396 -9.493 -4.717 1.00 0.00 O ATOM 827 CB VAL A 54 0.704 -7.655 -6.082 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.061 -8.280 -5.730 1.00 0.00 C ATOM 829 CG2 VAL A 54 0.979 -6.517 -7.071 1.00 0.00 C ATOM 0 H VAL A 54 -2.146 -7.852 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 54 0.294 -9.188 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 54 0.207 -7.265 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.716 -7.516 -5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.917 -9.074 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.515 -8.695 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.652 -5.792 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.440 -6.921 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.041 -6.027 -7.332 1.00 0.00 H new ATOM 839 N THR A 55 -0.095 -10.979 -5.816 1.00 0.00 N ATOM 840 CA THR A 55 -0.422 -12.179 -5.012 1.00 0.00 C ATOM 841 C THR A 55 0.810 -13.002 -4.600 1.00 0.00 C ATOM 842 O THR A 55 1.728 -13.171 -5.406 1.00 0.00 O ATOM 843 CB THR A 55 -1.492 -13.035 -5.723 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.644 -12.264 -5.999 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.976 -14.232 -4.901 1.00 0.00 C ATOM 0 H THR A 55 0.585 -11.170 -6.552 1.00 0.00 H new ATOM 0 HA THR A 55 -0.842 -11.822 -4.072 1.00 0.00 H new ATOM 0 HB THR A 55 -0.999 -13.393 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.311 -12.822 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.726 -14.783 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.133 -14.887 -4.681 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.414 -13.879 -3.967 1.00 0.00 H new ATOM 853 N GLU A 56 0.849 -13.521 -3.360 1.00 0.00 N ATOM 854 CA GLU A 56 1.857 -14.502 -2.896 1.00 0.00 C ATOM 855 C GLU A 56 1.406 -15.935 -3.192 1.00 0.00 C ATOM 856 O GLU A 56 2.164 -16.660 -3.870 1.00 0.00 O ATOM 857 CB GLU A 56 2.142 -14.369 -1.392 1.00 0.00 C ATOM 858 CG GLU A 56 3.044 -13.172 -1.088 1.00 0.00 C ATOM 859 CD GLU A 56 3.471 -13.170 0.371 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.254 -14.064 0.766 1.00 0.00 O ATOM 861 OE2 GLU A 56 3.013 -12.279 1.120 1.00 0.00 O ATOM 862 OXT GLU A 56 0.304 -16.321 -2.747 1.00 0.00 O ATOM 0 H GLU A 56 0.173 -13.270 -2.639 1.00 0.00 H new ATOM 0 HA GLU A 56 2.774 -14.285 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.201 -14.261 -0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.615 -15.282 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.925 -13.204 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.516 -12.246 -1.318 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.114 -9.354 16.611 1.00 0.00 N ATOM 871 CA MET B 1 -5.174 -8.326 16.442 1.00 0.00 C ATOM 872 C MET B 1 -5.051 -7.661 15.074 1.00 0.00 C ATOM 873 O MET B 1 -3.943 -7.461 14.584 1.00 0.00 O ATOM 874 CB MET B 1 -5.124 -7.311 17.600 1.00 0.00 C ATOM 875 CG MET B 1 -6.197 -6.218 17.517 1.00 0.00 C ATOM 876 SD MET B 1 -6.348 -5.207 19.013 1.00 0.00 S ATOM 877 CE MET B 1 -7.251 -6.342 20.103 1.00 0.00 C ATOM 0 H1 MET B 1 -4.187 -9.776 17.559 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.232 -10.096 15.892 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.180 -8.911 16.501 1.00 0.00 H new ATOM 0 HA MET B 1 -6.153 -8.803 16.479 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.236 -7.845 18.543 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.141 -6.841 17.615 1.00 0.00 H new ATOM 0 HG2 MET B 1 -5.971 -5.566 16.673 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.160 -6.685 17.309 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.483 -5.838 21.041 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.177 -6.652 19.619 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.636 -7.219 20.305 1.00 0.00 H new ATOM 889 N GLN B 2 -6.182 -7.346 14.434 1.00 0.00 N ATOM 890 CA GLN B 2 -6.215 -6.654 13.133 1.00 0.00 C ATOM 891 C GLN B 2 -5.932 -5.144 13.287 1.00 0.00 C ATOM 892 O GLN B 2 -6.585 -4.464 14.082 1.00 0.00 O ATOM 893 CB GLN B 2 -7.588 -6.855 12.460 1.00 0.00 C ATOM 894 CG GLN B 2 -7.578 -6.522 10.957 1.00 0.00 C ATOM 895 CD GLN B 2 -7.348 -7.749 10.103 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.280 -8.444 9.716 1.00 0.00 O ATOM 897 NE2 GLN B 2 -6.113 -8.051 9.775 1.00 0.00 N ATOM 0 H GLN B 2 -7.108 -7.564 14.803 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.433 -7.086 12.509 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.904 -7.889 12.595 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.326 -6.228 12.960 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.527 -6.062 10.682 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.798 -5.788 10.754 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.342 -7.468 10.101 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.925 -8.868 9.195 1.00 0.00 H new ATOM 906 N TYR B 3 -4.996 -4.623 12.494 1.00 0.00 N ATOM 907 CA TYR B 3 -4.667 -3.192 12.371 1.00 0.00 C ATOM 908 C TYR B 3 -4.760 -2.704 10.914 1.00 0.00 C ATOM 909 O TYR B 3 -4.668 -3.507 9.983 1.00 0.00 O ATOM 910 CB TYR B 3 -3.265 -2.939 12.939 1.00 0.00 C ATOM 911 CG TYR B 3 -3.119 -3.233 14.423 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.378 -2.227 15.372 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.715 -4.511 14.856 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.263 -2.507 16.746 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.597 -4.787 16.230 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.891 -3.792 17.175 1.00 0.00 C ATOM 917 OH TYR B 3 -2.811 -4.075 18.504 1.00 0.00 O ATOM 0 H TYR B 3 -4.418 -5.208 11.891 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.400 -2.623 12.944 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.549 -3.550 12.389 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.998 -1.897 12.761 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.665 -1.239 15.045 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.495 -5.281 14.131 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.461 -1.733 17.472 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.280 -5.766 16.558 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.541 -5.009 18.624 1.00 0.00 H new ATOM 927 N LYS B 4 -4.906 -1.393 10.699 1.00 0.00 N ATOM 928 CA LYS B 4 -5.183 -0.779 9.387 1.00 0.00 C ATOM 929 C LYS B 4 -4.314 0.474 9.120 1.00 0.00 C ATOM 930 O LYS B 4 -3.929 1.168 10.060 1.00 0.00 O ATOM 931 CB LYS B 4 -6.689 -0.452 9.353 1.00 0.00 C ATOM 932 CG LYS B 4 -7.190 0.049 7.990 1.00 0.00 C ATOM 933 CD LYS B 4 -8.685 0.388 8.010 1.00 0.00 C ATOM 934 CE LYS B 4 -9.056 0.943 6.632 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.465 1.371 6.552 1.00 0.00 N ATOM 0 H LYS B 4 -4.834 -0.707 11.450 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.921 -1.474 8.589 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.250 -1.345 9.629 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.903 0.305 10.108 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.623 0.933 7.699 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.002 -0.713 7.234 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.275 -0.500 8.236 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.901 1.121 8.788 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.410 1.789 6.400 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.868 0.181 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.616 1.905 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.083 0.535 6.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.691 1.976 7.367 1.00 0.00 H new ATOM 949 N LEU B 5 -4.058 0.794 7.847 1.00 0.00 N ATOM 950 CA LEU B 5 -3.279 1.944 7.362 1.00 0.00 C ATOM 951 C LEU B 5 -4.022 2.681 6.232 1.00 0.00 C ATOM 952 O LEU B 5 -4.311 2.084 5.195 1.00 0.00 O ATOM 953 CB LEU B 5 -1.916 1.421 6.864 1.00 0.00 C ATOM 954 CG LEU B 5 -0.779 2.425 6.578 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.968 3.228 5.294 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.526 3.398 7.726 1.00 0.00 C ATOM 0 H LEU B 5 -4.410 0.223 7.078 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.136 2.659 8.172 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.547 0.711 7.605 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.096 0.860 5.947 1.00 0.00 H new ATOM 0 HG LEU B 5 0.092 1.781 6.457 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.128 3.910 5.165 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.018 2.548 4.444 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.894 3.800 5.356 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.285 4.075 7.457 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.430 3.975 7.920 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.252 2.841 8.622 1.00 0.00 H new ATOM 968 N ILE B 6 -4.294 3.975 6.409 1.00 0.00 N ATOM 969 CA ILE B 6 -4.846 4.878 5.381 1.00 0.00 C ATOM 970 C ILE B 6 -3.706 5.731 4.806 1.00 0.00 C ATOM 971 O ILE B 6 -3.092 6.516 5.537 1.00 0.00 O ATOM 972 CB ILE B 6 -5.947 5.790 5.979 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.004 4.956 6.739 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.572 6.656 4.864 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.149 5.772 7.350 1.00 0.00 C ATOM 0 H ILE B 6 -4.133 4.445 7.300 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.300 4.283 4.589 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.499 6.463 6.710 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.426 4.220 6.055 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.506 4.403 7.535 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.345 7.295 5.290 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.800 7.276 4.408 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.013 6.010 4.105 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.840 5.102 7.862 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.744 6.490 8.063 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.678 6.304 6.560 1.00 0.00 H new ATOM 987 N LEU B 7 -3.383 5.588 3.522 1.00 0.00 N ATOM 988 CA LEU B 7 -2.273 6.252 2.841 1.00 0.00 C ATOM 989 C LEU B 7 -2.804 7.471 2.052 1.00 0.00 C ATOM 990 O LEU B 7 -3.633 7.312 1.150 1.00 0.00 O ATOM 991 CB LEU B 7 -1.690 5.178 1.893 1.00 0.00 C ATOM 992 CG LEU B 7 -0.411 5.572 1.139 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.819 5.377 2.020 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.232 4.691 -0.097 1.00 0.00 C ATOM 0 H LEU B 7 -3.912 4.978 2.899 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.515 6.628 3.528 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.483 4.280 2.476 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.453 4.914 1.161 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.510 6.620 0.856 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.713 5.662 1.465 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.731 5.999 2.911 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.893 4.330 2.314 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.678 4.981 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.158 3.647 0.208 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.088 4.816 -0.760 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.333 8.676 2.383 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.597 9.893 1.609 1.00 0.00 C ATOM 1008 C ASN B 8 -1.278 10.521 1.109 1.00 0.00 C ATOM 1009 O ASN B 8 -0.494 11.053 1.896 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.453 10.889 2.410 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.597 10.290 3.207 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.757 10.319 2.812 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.283 9.788 4.379 1.00 0.00 N ATOM 0 H ASN B 8 -1.751 8.836 3.205 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.178 9.620 0.728 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.801 11.428 3.097 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.864 11.624 1.718 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.012 9.410 4.984 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.310 9.776 4.684 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.036 10.484 -0.198 1.00 0.00 N ATOM 1021 CA GLY B 9 0.195 10.995 -0.823 1.00 0.00 C ATOM 1022 C GLY B 9 0.052 11.406 -2.292 1.00 0.00 C ATOM 1023 O GLY B 9 -0.999 11.224 -2.912 1.00 0.00 O ATOM 0 H GLY B 9 -1.696 10.093 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.544 11.856 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.967 10.229 -0.749 1.00 0.00 H new ATOM 1027 N LYS B 10 1.103 12.007 -2.844 1.00 0.00 N ATOM 1028 CA LYS B 10 1.128 12.556 -4.207 1.00 0.00 C ATOM 1029 C LYS B 10 1.428 11.488 -5.278 1.00 0.00 C ATOM 1030 O LYS B 10 0.818 11.498 -6.349 1.00 0.00 O ATOM 1031 CB LYS B 10 2.170 13.690 -4.286 1.00 0.00 C ATOM 1032 CG LYS B 10 1.949 14.857 -3.304 1.00 0.00 C ATOM 1033 CD LYS B 10 0.620 15.603 -3.511 1.00 0.00 C ATOM 1034 CE LYS B 10 0.425 16.748 -2.505 1.00 0.00 C ATOM 1035 NZ LYS B 10 1.359 17.873 -2.724 1.00 0.00 N ATOM 0 H LYS B 10 1.985 12.131 -2.348 1.00 0.00 H new ATOM 0 HA LYS B 10 0.131 12.942 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS B 10 3.158 13.267 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS B 10 2.175 14.087 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS B 10 1.984 14.473 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS B 10 2.771 15.565 -3.406 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.586 16.004 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -0.207 14.898 -3.419 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.599 17.114 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS B 10 0.559 16.363 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 1.170 18.622 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 2.338 17.538 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 1.228 18.252 -3.684 1.00 0.00 H new ATOM 1049 N THR B 11 2.329 10.543 -4.990 1.00 0.00 N ATOM 1050 CA THR B 11 2.633 9.402 -5.875 1.00 0.00 C ATOM 1051 C THR B 11 1.592 8.274 -5.768 1.00 0.00 C ATOM 1052 O THR B 11 1.240 7.654 -6.774 1.00 0.00 O ATOM 1053 CB THR B 11 4.032 8.827 -5.574 1.00 0.00 C ATOM 1054 OG1 THR B 11 4.237 8.598 -4.195 1.00 0.00 O ATOM 1055 CG2 THR B 11 5.137 9.779 -6.037 1.00 0.00 C ATOM 0 H THR B 11 2.876 10.544 -4.129 1.00 0.00 H new ATOM 0 HA THR B 11 2.604 9.793 -6.892 1.00 0.00 H new ATOM 0 HB THR B 11 4.077 7.883 -6.116 1.00 0.00 H new ATOM 0 HG1 THR B 11 5.135 8.233 -4.054 1.00 0.00 H new ATOM 0 HG21 THR B 11 6.110 9.344 -5.810 1.00 0.00 H new ATOM 0 HG22 THR B 11 5.053 9.939 -7.112 1.00 0.00 H new ATOM 0 HG23 THR B 11 5.036 10.733 -5.519 1.00 0.00 H new ATOM 1063 N LEU B 12 1.052 8.037 -4.568 1.00 0.00 N ATOM 1064 CA LEU B 12 0.076 6.972 -4.299 1.00 0.00 C ATOM 1065 C LEU B 12 -0.938 7.334 -3.193 1.00 0.00 C ATOM 1066 O LEU B 12 -0.593 7.987 -2.205 1.00 0.00 O ATOM 1067 CB LEU B 12 0.871 5.701 -3.924 1.00 0.00 C ATOM 1068 CG LEU B 12 0.076 4.388 -3.999 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.247 4.015 -5.440 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.885 3.233 -3.422 1.00 0.00 C ATOM 0 H LEU B 12 1.284 8.588 -3.742 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.526 6.814 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.734 5.623 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.255 5.817 -2.911 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.840 4.551 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.810 3.082 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.843 4.806 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.680 3.890 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.303 2.314 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.809 3.117 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.123 3.441 -2.379 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.173 6.847 -3.334 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.221 6.894 -2.299 1.00 0.00 C ATOM 1084 C LYS B 13 -3.862 5.505 -2.127 1.00 0.00 C ATOM 1085 O LYS B 13 -3.904 4.729 -3.082 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.299 7.923 -2.683 1.00 0.00 C ATOM 1087 CG LYS B 13 -3.780 9.369 -2.707 1.00 0.00 C ATOM 1088 CD LYS B 13 -4.914 10.346 -3.060 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.490 11.820 -2.990 1.00 0.00 C ATOM 1090 NZ LYS B 13 -3.466 12.170 -3.998 1.00 0.00 N ATOM 0 H LYS B 13 -2.485 6.395 -4.194 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.765 7.192 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -4.698 7.671 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.126 7.853 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.361 9.627 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.975 9.460 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.274 10.126 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.750 10.183 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -5.366 12.453 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.102 12.035 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -3.448 13.201 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -2.533 11.846 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.696 11.709 -4.901 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.366 5.160 -0.941 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.959 3.832 -0.705 1.00 0.00 C ATOM 1106 C GLY B 14 -5.256 3.474 0.753 1.00 0.00 C ATOM 1107 O GLY B 14 -5.121 4.303 1.656 1.00 0.00 O ATOM 0 H GLY B 14 -4.378 5.776 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.889 3.767 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.285 3.078 -1.112 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.642 2.216 0.978 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.939 1.622 2.300 1.00 0.00 C ATOM 1113 C GLU B 15 -5.442 0.178 2.385 1.00 0.00 C ATOM 1114 O GLU B 15 -5.681 -0.616 1.473 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.450 1.615 2.587 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.055 3.010 2.748 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.560 2.900 2.940 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.999 2.641 4.083 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.302 3.075 1.948 1.00 0.00 O ATOM 0 H GLU B 15 -5.764 1.548 0.217 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.423 2.240 3.035 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.962 1.099 1.775 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.635 1.042 3.496 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.606 3.515 3.603 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.835 3.616 1.869 1.00 0.00 H new ATOM 1126 N THR B 16 -4.766 -0.172 3.480 1.00 0.00 N ATOM 1127 CA THR B 16 -4.210 -1.522 3.713 1.00 0.00 C ATOM 1128 C THR B 16 -4.444 -2.025 5.146 1.00 0.00 C ATOM 1129 O THR B 16 -4.802 -1.254 6.037 1.00 0.00 O ATOM 1130 CB THR B 16 -2.706 -1.614 3.372 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.899 -1.057 4.376 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.301 -0.898 2.085 1.00 0.00 C ATOM 0 H THR B 16 -4.582 0.477 4.245 1.00 0.00 H new ATOM 0 HA THR B 16 -4.759 -2.170 3.030 1.00 0.00 H new ATOM 0 HB THR B 16 -2.551 -2.687 3.263 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.975 -0.992 4.055 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.229 -1.015 1.925 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.843 -1.329 1.243 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.542 0.162 2.167 1.00 0.00 H new ATOM 1140 N THR B 17 -4.262 -3.325 5.376 1.00 0.00 N ATOM 1141 CA THR B 17 -4.607 -4.032 6.622 1.00 0.00 C ATOM 1142 C THR B 17 -3.605 -5.163 6.911 1.00 0.00 C ATOM 1143 O THR B 17 -3.099 -5.813 5.990 1.00 0.00 O ATOM 1144 CB THR B 17 -6.034 -4.640 6.559 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.913 -3.941 5.697 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.717 -4.679 7.921 1.00 0.00 C ATOM 0 H THR B 17 -3.854 -3.944 4.676 1.00 0.00 H new ATOM 0 HA THR B 17 -4.568 -3.292 7.421 1.00 0.00 H new ATOM 0 HB THR B 17 -5.859 -5.646 6.178 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.791 -4.376 5.703 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.711 -5.113 7.817 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.126 -5.285 8.607 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.803 -3.666 8.314 1.00 0.00 H new ATOM 1154 N THR B 18 -3.332 -5.414 8.191 1.00 0.00 N ATOM 1155 CA THR B 18 -2.406 -6.452 8.691 1.00 0.00 C ATOM 1156 C THR B 18 -2.919 -7.066 10.003 1.00 0.00 C ATOM 1157 O THR B 18 -3.825 -6.513 10.636 1.00 0.00 O ATOM 1158 CB THR B 18 -0.979 -5.886 8.879 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.037 -6.923 9.026 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.831 -4.953 10.085 1.00 0.00 C ATOM 0 H THR B 18 -3.764 -4.882 8.947 1.00 0.00 H new ATOM 0 HA THR B 18 -2.362 -7.241 7.940 1.00 0.00 H new ATOM 0 HB THR B 18 -0.794 -5.307 7.974 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.407 -7.086 8.168 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.198 -4.599 10.147 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.501 -4.101 9.971 1.00 0.00 H new ATOM 0 HG23 THR B 18 -1.084 -5.494 10.997 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.362 -8.200 10.437 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.660 -8.846 11.731 1.00 0.00 C ATOM 1170 C GLU B 19 -1.366 -9.135 12.485 1.00 0.00 C ATOM 1171 O GLU B 19 -0.581 -10.004 12.100 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.489 -10.126 11.532 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.934 -10.744 12.856 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.765 -11.992 12.595 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.169 -13.076 12.406 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.012 -11.889 12.605 1.00 0.00 O ATOM 0 H GLU B 19 -1.672 -8.713 9.888 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.259 -8.161 12.331 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.367 -9.897 10.928 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.900 -10.854 10.974 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.062 -10.997 13.460 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.518 -10.021 13.426 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.163 -8.388 13.565 1.00 0.00 N ATOM 1184 CA ALA B 20 0.072 -8.323 14.324 1.00 0.00 C ATOM 1185 C ALA B 20 -0.175 -8.493 15.830 1.00 0.00 C ATOM 1186 O ALA B 20 -1.311 -8.445 16.318 1.00 0.00 O ATOM 1187 CB ALA B 20 0.720 -6.973 14.003 1.00 0.00 C ATOM 0 H ALA B 20 -1.891 -7.785 13.949 1.00 0.00 H new ATOM 0 HA ALA B 20 0.736 -9.141 14.044 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.656 -6.879 14.554 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.920 -6.911 12.933 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.045 -6.167 14.293 1.00 0.00 H new ATOM 1193 N VAL B 21 0.908 -8.708 16.573 1.00 0.00 N ATOM 1194 CA VAL B 21 0.845 -8.941 18.028 1.00 0.00 C ATOM 1195 C VAL B 21 0.448 -7.673 18.795 1.00 0.00 C ATOM 1196 O VAL B 21 -0.303 -7.764 19.771 1.00 0.00 O ATOM 1197 CB VAL B 21 2.162 -9.541 18.550 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.352 -8.655 18.186 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.161 -9.808 20.060 1.00 0.00 C ATOM 0 H VAL B 21 1.854 -8.727 16.193 1.00 0.00 H new ATOM 0 HA VAL B 21 0.058 -9.673 18.209 1.00 0.00 H new ATOM 0 HB VAL B 21 2.256 -10.508 18.055 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.269 -9.103 18.567 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.417 -8.561 17.102 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.219 -7.668 18.629 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.121 -10.230 20.355 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.996 -8.873 20.595 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.365 -10.511 20.305 1.00 0.00 H new ATOM 1209 N ASP B 22 0.869 -6.483 18.343 1.00 0.00 N ATOM 1210 CA ASP B 22 0.557 -5.181 18.942 1.00 0.00 C ATOM 1211 C ASP B 22 0.630 -4.069 17.883 1.00 0.00 C ATOM 1212 O ASP B 22 1.183 -4.233 16.790 1.00 0.00 O ATOM 1213 CB ASP B 22 1.598 -4.894 20.045 1.00 0.00 C ATOM 1214 CG ASP B 22 1.371 -3.608 20.864 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.476 -3.595 21.741 1.00 0.00 O ATOM 1216 OD2 ASP B 22 2.081 -2.608 20.600 1.00 0.00 O ATOM 0 H ASP B 22 1.460 -6.400 17.516 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.451 -5.204 19.355 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.615 -5.741 20.731 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.583 -4.838 19.583 1.00 0.00 H new ATOM 1221 N ALA B 23 0.126 -2.914 18.284 1.00 0.00 N ATOM 1222 CA ALA B 23 0.134 -1.662 17.527 1.00 0.00 C ATOM 1223 C ALA B 23 1.544 -1.279 17.027 1.00 0.00 C ATOM 1224 O ALA B 23 1.685 -0.791 15.910 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.481 -0.549 18.382 1.00 0.00 C ATOM 0 H ALA B 23 -0.325 -2.813 19.193 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.470 -1.803 16.631 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.477 0.385 17.821 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.507 -0.813 18.640 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.102 -0.427 19.295 1.00 0.00 H new ATOM 1231 N ALA B 24 2.600 -1.563 17.794 1.00 0.00 N ATOM 1232 CA ALA B 24 3.986 -1.291 17.429 1.00 0.00 C ATOM 1233 C ALA B 24 4.510 -2.243 16.337 1.00 0.00 C ATOM 1234 O ALA B 24 5.290 -1.836 15.481 1.00 0.00 O ATOM 1235 CB ALA B 24 4.853 -1.384 18.688 1.00 0.00 C ATOM 0 H ALA B 24 2.508 -2.001 18.711 1.00 0.00 H new ATOM 0 HA ALA B 24 4.037 -0.287 17.007 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.893 -1.183 18.430 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.512 -0.651 19.419 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.772 -2.385 19.113 1.00 0.00 H new ATOM 1241 N THR B 25 4.056 -3.497 16.321 1.00 0.00 N ATOM 1242 CA THR B 25 4.353 -4.460 15.247 1.00 0.00 C ATOM 1243 C THR B 25 3.601 -4.108 13.958 1.00 0.00 C ATOM 1244 O THR B 25 4.204 -4.072 12.886 1.00 0.00 O ATOM 1245 CB THR B 25 4.035 -5.891 15.684 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.634 -6.149 16.934 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.544 -6.944 14.697 1.00 0.00 C ATOM 0 H THR B 25 3.465 -3.881 17.058 1.00 0.00 H new ATOM 0 HA THR B 25 5.421 -4.398 15.040 1.00 0.00 H new ATOM 0 HB THR B 25 2.949 -5.964 15.734 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.134 -6.990 16.890 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.288 -7.939 15.062 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.080 -6.784 13.724 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.627 -6.860 14.601 1.00 0.00 H new ATOM 1255 N ALA B 26 2.319 -3.739 14.039 1.00 0.00 N ATOM 1256 CA ALA B 26 1.576 -3.207 12.887 1.00 0.00 C ATOM 1257 C ALA B 26 2.191 -1.907 12.319 1.00 0.00 C ATOM 1258 O ALA B 26 2.384 -1.787 11.108 1.00 0.00 O ATOM 1259 CB ALA B 26 0.128 -2.973 13.305 1.00 0.00 C ATOM 0 H ALA B 26 1.769 -3.799 14.896 1.00 0.00 H new ATOM 0 HA ALA B 26 1.630 -3.942 12.084 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.435 -2.578 12.460 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.314 -3.916 13.627 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.098 -2.258 14.127 1.00 0.00 H new ATOM 1265 N GLU B 27 2.591 -0.994 13.213 1.00 0.00 N ATOM 1266 CA GLU B 27 3.349 0.232 12.875 1.00 0.00 C ATOM 1267 C GLU B 27 4.677 -0.109 12.207 1.00 0.00 C ATOM 1268 O GLU B 27 5.021 0.485 11.186 1.00 0.00 O ATOM 1269 CB GLU B 27 3.607 1.139 14.091 1.00 0.00 C ATOM 1270 CG GLU B 27 4.051 2.539 13.658 1.00 0.00 C ATOM 1271 CD GLU B 27 4.568 3.343 14.842 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.782 3.638 15.769 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.763 3.714 14.814 1.00 0.00 O ATOM 0 H GLU B 27 2.397 -1.082 14.211 1.00 0.00 H new ATOM 0 HA GLU B 27 2.718 0.786 12.180 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.700 1.212 14.691 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.373 0.692 14.724 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.831 2.458 12.901 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.213 3.063 13.197 1.00 0.00 H new ATOM 1280 N LYS B 28 5.395 -1.111 12.722 1.00 0.00 N ATOM 1281 CA LYS B 28 6.625 -1.603 12.082 1.00 0.00 C ATOM 1282 C LYS B 28 6.366 -2.149 10.664 1.00 0.00 C ATOM 1283 O LYS B 28 7.056 -1.746 9.727 1.00 0.00 O ATOM 1284 CB LYS B 28 7.319 -2.629 13.000 1.00 0.00 C ATOM 1285 CG LYS B 28 8.703 -3.111 12.527 1.00 0.00 C ATOM 1286 CD LYS B 28 8.671 -4.323 11.577 1.00 0.00 C ATOM 1287 CE LYS B 28 10.099 -4.835 11.348 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.131 -6.034 10.486 1.00 0.00 N ATOM 0 H LYS B 28 5.148 -1.600 13.582 1.00 0.00 H new ATOM 0 HA LYS B 28 7.305 -0.762 11.946 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.426 -2.189 13.992 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.667 -3.497 13.104 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.208 -2.286 12.025 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.302 -3.367 13.401 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.054 -5.115 12.002 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.218 -4.041 10.626 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.697 -4.046 10.892 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.558 -5.068 12.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.078 -6.462 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.427 -6.722 10.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.911 -5.763 9.506 1.00 0.00 H new ATOM 1302 N VAL B 29 5.357 -3.008 10.465 1.00 0.00 N ATOM 1303 CA VAL B 29 4.967 -3.515 9.127 1.00 0.00 C ATOM 1304 C VAL B 29 4.612 -2.368 8.169 1.00 0.00 C ATOM 1305 O VAL B 29 5.166 -2.278 7.074 1.00 0.00 O ATOM 1306 CB VAL B 29 3.806 -4.530 9.223 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.232 -4.915 7.853 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.280 -5.829 9.888 1.00 0.00 C ATOM 0 H VAL B 29 4.783 -3.376 11.223 1.00 0.00 H new ATOM 0 HA VAL B 29 5.833 -4.035 8.717 1.00 0.00 H new ATOM 0 HB VAL B 29 3.033 -4.034 9.810 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.420 -5.630 7.987 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.852 -4.023 7.354 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.016 -5.365 7.244 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.449 -6.532 9.947 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.085 -6.267 9.298 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.644 -5.612 10.892 1.00 0.00 H new ATOM 1318 N PHE B 30 3.750 -1.441 8.583 1.00 0.00 N ATOM 1319 CA PHE B 30 3.378 -0.294 7.747 1.00 0.00 C ATOM 1320 C PHE B 30 4.581 0.601 7.382 1.00 0.00 C ATOM 1321 O PHE B 30 4.722 1.018 6.232 1.00 0.00 O ATOM 1322 CB PHE B 30 2.287 0.536 8.436 1.00 0.00 C ATOM 1323 CG PHE B 30 0.989 -0.193 8.764 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.425 -1.129 7.870 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.328 0.084 9.980 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.778 -1.785 8.195 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.868 -0.580 10.304 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.422 -1.509 9.410 1.00 0.00 C ATOM 0 H PHE B 30 3.293 -1.459 9.495 1.00 0.00 H new ATOM 0 HA PHE B 30 2.993 -0.700 6.811 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.697 0.938 9.362 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.050 1.387 7.797 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.918 -1.343 6.933 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.743 0.809 10.664 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.205 -2.501 7.508 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.361 -0.375 11.243 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.345 -2.012 9.658 1.00 0.00 H new ATOM 1338 N LYS B 31 5.498 0.836 8.322 1.00 0.00 N ATOM 1339 CA LYS B 31 6.738 1.581 8.062 1.00 0.00 C ATOM 1340 C LYS B 31 7.776 0.802 7.229 1.00 0.00 C ATOM 1341 O LYS B 31 8.645 1.420 6.615 1.00 0.00 O ATOM 1342 CB LYS B 31 7.340 2.096 9.376 1.00 0.00 C ATOM 1343 CG LYS B 31 6.502 3.268 9.910 1.00 0.00 C ATOM 1344 CD LYS B 31 7.081 3.823 11.214 1.00 0.00 C ATOM 1345 CE LYS B 31 6.273 5.054 11.644 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.741 5.590 12.936 1.00 0.00 N ATOM 0 H LYS B 31 5.405 0.517 9.286 1.00 0.00 H new ATOM 0 HA LYS B 31 6.459 2.432 7.441 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.369 1.293 10.112 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.369 2.417 9.214 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.463 4.060 9.162 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.477 2.937 10.077 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.048 3.062 11.993 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.128 4.091 11.075 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.352 5.827 10.879 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.219 4.789 11.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.345 6.541 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.429 4.964 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.780 5.644 12.934 1.00 0.00 H new ATOM 1360 N GLN B 32 7.702 -0.531 7.160 1.00 0.00 N ATOM 1361 CA GLN B 32 8.515 -1.356 6.256 1.00 0.00 C ATOM 1362 C GLN B 32 8.116 -1.156 4.779 1.00 0.00 C ATOM 1363 O GLN B 32 8.981 -1.006 3.917 1.00 0.00 O ATOM 1364 CB GLN B 32 8.323 -2.815 6.679 1.00 0.00 C ATOM 1365 CG GLN B 32 9.341 -3.815 6.141 1.00 0.00 C ATOM 1366 CD GLN B 32 8.967 -5.159 6.713 1.00 0.00 C ATOM 1367 OE1 GLN B 32 9.503 -5.603 7.721 1.00 0.00 O ATOM 1368 NE2 GLN B 32 7.949 -5.781 6.165 1.00 0.00 N ATOM 0 H GLN B 32 7.065 -1.078 7.740 1.00 0.00 H new ATOM 0 HA GLN B 32 9.562 -1.063 6.329 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.341 -2.861 7.768 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.330 -3.135 6.363 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.323 -3.839 5.051 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.352 -3.536 6.437 1.00 0.00 H new ATOM 0 HE21 GLN B 32 7.511 -5.401 5.326 1.00 0.00 H new ATOM 0 HE22 GLN B 32 7.596 -6.644 6.579 1.00 0.00 H new ATOM 1377 N TYR B 33 6.809 -1.110 4.489 1.00 0.00 N ATOM 1378 CA TYR B 33 6.271 -0.872 3.136 1.00 0.00 C ATOM 1379 C TYR B 33 6.305 0.611 2.712 1.00 0.00 C ATOM 1380 O TYR B 33 6.615 0.910 1.561 1.00 0.00 O ATOM 1381 CB TYR B 33 4.826 -1.400 3.052 1.00 0.00 C ATOM 1382 CG TYR B 33 4.685 -2.906 2.868 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.045 -3.797 3.900 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.133 -3.422 1.675 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.849 -5.181 3.747 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.932 -4.809 1.526 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.282 -5.686 2.567 1.00 0.00 C ATOM 1388 OH TYR B 33 4.056 -7.023 2.452 1.00 0.00 O ATOM 0 H TYR B 33 6.083 -1.238 5.194 1.00 0.00 H new ATOM 0 HA TYR B 33 6.919 -1.410 2.445 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.300 -1.112 3.962 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.324 -0.902 2.222 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.474 -3.414 4.814 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.864 -2.751 0.873 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.135 -5.857 4.539 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.509 -5.198 0.612 1.00 0.00 H new ATOM 0 HH TYR B 33 3.659 -7.213 1.577 1.00 0.00 H new ATOM 1398 N PHE B 34 6.034 1.519 3.654 1.00 0.00 N ATOM 1399 CA PHE B 34 5.808 2.957 3.399 1.00 0.00 C ATOM 1400 C PHE B 34 6.904 3.907 3.940 1.00 0.00 C ATOM 1401 O PHE B 34 6.646 5.081 4.211 1.00 0.00 O ATOM 1402 CB PHE B 34 4.388 3.335 3.867 1.00 0.00 C ATOM 1403 CG PHE B 34 3.286 2.429 3.340 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.161 2.205 1.955 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.404 1.779 4.228 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.185 1.319 1.464 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.432 0.888 3.737 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.328 0.656 2.356 1.00 0.00 C ATOM 0 H PHE B 34 5.962 1.275 4.642 1.00 0.00 H new ATOM 0 HA PHE B 34 5.886 3.106 2.322 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.363 3.320 4.957 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.178 4.359 3.557 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.818 2.716 1.267 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.475 1.966 5.289 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.095 1.149 0.401 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.767 0.383 4.422 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.587 -0.034 1.980 1.00 0.00 H new ATOM 1418 N ASN B 35 8.134 3.409 4.108 1.00 0.00 N ATOM 1419 CA ASN B 35 9.242 4.102 4.782 1.00 0.00 C ATOM 1420 C ASN B 35 9.570 5.533 4.275 1.00 0.00 C ATOM 1421 O ASN B 35 9.713 6.456 5.083 1.00 0.00 O ATOM 1422 CB ASN B 35 10.487 3.201 4.691 1.00 0.00 C ATOM 1423 CG ASN B 35 11.435 3.473 5.843 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.405 4.213 5.728 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.162 2.882 6.988 1.00 0.00 N ATOM 0 H ASN B 35 8.396 2.483 3.769 1.00 0.00 H new ATOM 0 HA ASN B 35 8.918 4.267 5.810 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.185 2.154 4.702 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.999 3.375 3.744 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.762 3.037 7.798 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.350 2.269 7.065 1.00 0.00 H new ATOM 1432 N ASP B 36 9.708 5.709 2.953 1.00 0.00 N ATOM 1433 CA ASP B 36 10.187 6.941 2.280 1.00 0.00 C ATOM 1434 C ASP B 36 9.790 7.005 0.788 1.00 0.00 C ATOM 1435 O ASP B 36 10.513 7.535 -0.057 1.00 0.00 O ATOM 1436 CB ASP B 36 11.718 7.091 2.470 1.00 0.00 C ATOM 1437 CG ASP B 36 12.600 6.140 1.623 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.350 4.910 1.604 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.581 6.624 1.004 1.00 0.00 O ATOM 0 H ASP B 36 9.481 4.969 2.289 1.00 0.00 H new ATOM 0 HA ASP B 36 9.689 7.786 2.755 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.995 8.119 2.235 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.952 6.931 3.523 1.00 0.00 H new ATOM 1444 N ASN B 37 8.631 6.432 0.464 1.00 0.00 N ATOM 1445 CA ASN B 37 8.141 6.294 -0.920 1.00 0.00 C ATOM 1446 C ASN B 37 7.536 7.616 -1.467 1.00 0.00 C ATOM 1447 O ASN B 37 7.508 7.874 -2.674 1.00 0.00 O ATOM 1448 CB ASN B 37 7.095 5.169 -0.966 1.00 0.00 C ATOM 1449 CG ASN B 37 7.528 3.814 -0.419 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.634 3.586 0.058 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.618 2.870 -0.445 1.00 0.00 N ATOM 0 H ASN B 37 7.993 6.044 1.159 1.00 0.00 H new ATOM 0 HA ASN B 37 8.989 6.050 -1.560 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.217 5.497 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN B 37 6.784 5.035 -2.002 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.831 1.946 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.698 3.060 -0.842 1.00 0.00 H new ATOM 1458 N GLY B 38 7.051 8.447 -0.542 1.00 0.00 N ATOM 1459 CA GLY B 38 6.492 9.793 -0.739 1.00 0.00 C ATOM 1460 C GLY B 38 5.846 10.331 0.541 1.00 0.00 C ATOM 1461 O GLY B 38 6.064 11.478 0.929 1.00 0.00 O ATOM 0 H GLY B 38 7.036 8.179 0.442 1.00 0.00 H new ATOM 0 HA2 GLY B 38 7.282 10.472 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY B 38 5.750 9.766 -1.537 1.00 0.00 H new ATOM 1465 N VAL B 39 5.163 9.444 1.275 1.00 0.00 N ATOM 1466 CA VAL B 39 4.525 9.661 2.596 1.00 0.00 C ATOM 1467 C VAL B 39 5.491 9.826 3.790 1.00 0.00 C ATOM 1468 O VAL B 39 5.241 9.370 4.907 1.00 0.00 O ATOM 1469 CB VAL B 39 3.443 8.604 2.878 1.00 0.00 C ATOM 1470 CG1 VAL B 39 2.241 8.852 1.963 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.968 7.177 2.711 1.00 0.00 C ATOM 0 H VAL B 39 5.027 8.488 0.947 1.00 0.00 H new ATOM 0 HA VAL B 39 4.051 10.639 2.508 1.00 0.00 H new ATOM 0 HB VAL B 39 3.137 8.702 3.920 1.00 0.00 H new ATOM 0 HG11 VAL B 39 1.473 8.104 2.161 1.00 0.00 H new ATOM 0 HG12 VAL B 39 1.837 9.846 2.154 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.556 8.782 0.922 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.167 6.468 2.921 1.00 0.00 H new ATOM 0 HG22 VAL B 39 4.319 7.036 1.689 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.792 7.009 3.404 1.00 0.00 H new ATOM 1481 N ASP B 40 6.609 10.519 3.560 1.00 0.00 N ATOM 1482 CA ASP B 40 7.565 10.991 4.587 1.00 0.00 C ATOM 1483 C ASP B 40 6.933 12.059 5.523 1.00 0.00 C ATOM 1484 O ASP B 40 7.540 12.494 6.501 1.00 0.00 O ATOM 1485 CB ASP B 40 8.812 11.540 3.864 1.00 0.00 C ATOM 1486 CG ASP B 40 9.958 11.978 4.804 1.00 0.00 C ATOM 1487 OD1 ASP B 40 10.521 11.116 5.522 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.327 13.178 4.787 1.00 0.00 O ATOM 0 H ASP B 40 6.892 10.782 2.616 1.00 0.00 H new ATOM 0 HA ASP B 40 7.846 10.158 5.232 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.189 10.775 3.185 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.516 12.392 3.252 1.00 0.00 H new ATOM 1493 N GLY B 41 5.703 12.468 5.188 1.00 0.00 N ATOM 1494 CA GLY B 41 4.742 13.294 5.926 1.00 0.00 C ATOM 1495 C GLY B 41 4.348 12.849 7.347 1.00 0.00 C ATOM 1496 O GLY B 41 5.079 12.161 8.064 1.00 0.00 O ATOM 0 H GLY B 41 5.313 12.195 4.286 1.00 0.00 H new ATOM 0 HA2 GLY B 41 5.150 14.302 5.993 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.831 13.358 5.331 1.00 0.00 H new ATOM 1500 N GLU B 42 3.165 13.299 7.771 1.00 0.00 N ATOM 1501 CA GLU B 42 2.638 13.189 9.148 1.00 0.00 C ATOM 1502 C GLU B 42 1.918 11.860 9.374 1.00 0.00 C ATOM 1503 O GLU B 42 0.881 11.609 8.762 1.00 0.00 O ATOM 1504 CB GLU B 42 1.690 14.366 9.438 1.00 0.00 C ATOM 1505 CG GLU B 42 1.212 14.397 10.889 1.00 0.00 C ATOM 1506 CD GLU B 42 0.432 15.679 11.149 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.781 15.715 10.844 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.035 16.646 11.666 1.00 0.00 O ATOM 0 H GLU B 42 2.515 13.771 7.143 1.00 0.00 H new ATOM 0 HA GLU B 42 3.483 13.224 9.836 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.199 15.302 9.208 1.00 0.00 H new ATOM 0 HB3 GLU B 42 0.826 14.302 8.777 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.583 13.530 11.093 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.066 14.337 11.564 1.00 0.00 H new ATOM 1515 N TRP B 43 2.451 11.024 10.264 1.00 0.00 N ATOM 1516 CA TRP B 43 1.803 9.790 10.738 1.00 0.00 C ATOM 1517 C TRP B 43 0.896 10.075 11.957 1.00 0.00 C ATOM 1518 O TRP B 43 1.222 10.905 12.810 1.00 0.00 O ATOM 1519 CB TRP B 43 2.876 8.747 11.093 1.00 0.00 C ATOM 1520 CG TRP B 43 3.607 8.127 9.934 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.523 8.744 9.153 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.497 6.766 9.404 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.969 7.880 8.174 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.367 6.645 8.277 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.749 5.620 9.759 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.474 5.461 7.531 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.861 4.423 9.026 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.715 4.341 7.912 1.00 0.00 C ATOM 0 H TRP B 43 3.365 11.184 10.688 1.00 0.00 H new ATOM 0 HA TRP B 43 1.173 9.396 9.941 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.609 9.218 11.748 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.403 7.950 11.666 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.856 9.764 9.277 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.658 8.125 7.463 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.081 5.663 10.606 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.131 5.411 6.675 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.285 3.559 9.323 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.787 3.421 7.351 1.00 0.00 H new ATOM 1539 N THR B 44 -0.248 9.392 12.047 1.00 0.00 N ATOM 1540 CA THR B 44 -1.269 9.497 13.114 1.00 0.00 C ATOM 1541 C THR B 44 -1.792 8.093 13.486 1.00 0.00 C ATOM 1542 O THR B 44 -1.749 7.190 12.644 1.00 0.00 O ATOM 1543 CB THR B 44 -2.453 10.364 12.622 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.010 11.579 12.054 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.460 10.735 13.714 1.00 0.00 C ATOM 0 H THR B 44 -0.510 8.707 11.338 1.00 0.00 H new ATOM 0 HA THR B 44 -0.814 9.959 13.990 1.00 0.00 H new ATOM 0 HB THR B 44 -2.946 9.729 11.886 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.783 12.100 11.753 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.256 11.342 13.284 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.886 9.827 14.140 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.955 11.301 14.497 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.328 7.887 14.697 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.948 6.622 15.147 1.00 0.00 C ATOM 1555 C TYR B 45 -4.176 6.850 16.053 1.00 0.00 C ATOM 1556 O TYR B 45 -4.176 7.748 16.902 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.900 5.788 15.903 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.435 4.530 16.577 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.905 3.454 15.801 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.477 4.436 17.983 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.388 2.286 16.422 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.971 3.270 18.603 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.423 2.193 17.822 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.893 1.061 18.416 1.00 0.00 O ATOM 0 H TYR B 45 -2.345 8.612 15.414 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.297 6.094 14.260 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.115 5.500 15.204 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.436 6.418 16.662 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.895 3.524 14.723 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.129 5.261 18.588 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.733 1.459 15.819 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.002 3.205 19.681 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.179 1.266 19.331 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.206 6.013 15.887 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.406 5.898 16.734 1.00 0.00 C ATOM 1576 C ASP B 46 -6.518 4.510 17.370 1.00 0.00 C ATOM 1577 O ASP B 46 -6.538 3.505 16.654 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.647 6.151 15.873 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.914 6.356 16.713 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -9.225 7.511 17.087 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -9.589 5.341 16.981 1.00 0.00 O ATOM 0 H ASP B 46 -5.228 5.354 15.109 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.329 6.634 17.534 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.481 7.031 15.252 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -7.795 5.308 15.198 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.613 4.430 18.700 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.681 3.150 19.425 1.00 0.00 C ATOM 1588 C ASP B 47 -8.093 2.548 19.469 1.00 0.00 C ATOM 1589 O ASP B 47 -8.258 1.337 19.388 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.094 3.340 20.835 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.731 1.999 21.502 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.803 1.319 21.002 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.370 1.637 22.520 1.00 0.00 O ATOM 0 H ASP B 47 -6.645 5.248 19.308 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.084 2.421 18.876 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.204 3.966 20.774 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.815 3.870 21.458 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.134 3.378 19.499 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.555 2.945 19.493 1.00 0.00 C ATOM 1600 C ALA B 48 -10.987 2.221 18.200 1.00 0.00 C ATOM 1601 O ALA B 48 -12.012 1.537 18.133 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.445 4.181 19.630 1.00 0.00 C ATOM 0 H ALA B 48 -9.026 4.392 19.529 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.660 2.243 20.321 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.492 3.878 19.627 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.218 4.691 20.566 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.261 4.857 18.795 1.00 0.00 H new ATOM 1608 N THR B 49 -10.153 2.426 17.188 1.00 0.00 N ATOM 1609 CA THR B 49 -10.339 1.936 15.828 1.00 0.00 C ATOM 1610 C THR B 49 -9.122 1.195 15.260 1.00 0.00 C ATOM 1611 O THR B 49 -9.182 0.710 14.128 1.00 0.00 O ATOM 1612 CB THR B 49 -10.874 3.051 14.915 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.916 4.047 14.693 1.00 0.00 O ATOM 1614 CG2 THR B 49 -12.134 3.733 15.459 1.00 0.00 C ATOM 0 H THR B 49 -9.292 2.961 17.298 1.00 0.00 H new ATOM 0 HA THR B 49 -11.106 1.162 15.870 1.00 0.00 H new ATOM 0 HB THR B 49 -11.122 2.543 13.983 1.00 0.00 H new ATOM 0 HG1 THR B 49 -9.950 4.702 15.421 1.00 0.00 H new ATOM 0 HG21 THR B 49 -12.456 4.509 14.765 1.00 0.00 H new ATOM 0 HG22 THR B 49 -12.928 2.994 15.572 1.00 0.00 H new ATOM 0 HG23 THR B 49 -11.915 4.181 16.428 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.041 1.028 16.043 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.838 0.260 15.685 1.00 0.00 C ATOM 1624 C LYS B 50 -6.280 0.654 14.306 1.00 0.00 C ATOM 1625 O LYS B 50 -5.753 -0.170 13.554 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.108 -1.251 15.853 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.586 -1.658 17.260 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.609 -1.197 18.355 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.897 -1.778 19.744 1.00 0.00 C ATOM 1630 NZ LYS B 50 -8.189 -1.324 20.296 1.00 0.00 N ATOM 0 H LYS B 50 -7.980 1.439 16.975 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.036 0.515 16.378 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.859 -1.557 15.125 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.195 -1.799 15.620 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.570 -1.228 17.447 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.698 -2.741 17.306 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.596 -1.473 18.061 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.638 -0.109 18.416 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -6.894 -2.866 19.686 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.095 -1.493 20.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -8.171 -1.404 21.333 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -8.352 -0.332 20.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -8.956 -1.915 19.916 1.00 0.00 H new ATOM 1644 N THR B 51 -6.430 1.937 13.971 1.00 0.00 N ATOM 1645 CA THR B 51 -6.157 2.441 12.614 1.00 0.00 C ATOM 1646 C THR B 51 -5.092 3.532 12.630 1.00 0.00 C ATOM 1647 O THR B 51 -5.124 4.449 13.453 1.00 0.00 O ATOM 1648 CB THR B 51 -7.452 2.948 11.943 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.379 1.894 11.777 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.231 3.531 10.543 1.00 0.00 C ATOM 0 H THR B 51 -6.742 2.656 14.624 1.00 0.00 H new ATOM 0 HA THR B 51 -5.771 1.609 12.025 1.00 0.00 H new ATOM 0 HB THR B 51 -7.819 3.726 12.612 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.541 1.462 12.641 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.184 3.867 10.134 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.545 4.376 10.605 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.807 2.766 9.893 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.149 3.441 11.697 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.090 4.402 11.428 1.00 0.00 C ATOM 1660 C PHE B 52 -3.424 5.184 10.149 1.00 0.00 C ATOM 1661 O PHE B 52 -3.995 4.640 9.200 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.757 3.663 11.228 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.180 3.030 12.477 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.638 1.772 12.916 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.170 3.696 13.197 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.084 1.180 14.066 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.371 3.111 14.354 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.086 1.855 14.788 1.00 0.00 C ATOM 0 H PHE B 52 -4.104 2.639 11.068 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.005 5.087 12.271 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.900 2.885 10.478 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.027 4.365 10.825 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.416 1.261 12.369 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.189 4.657 12.860 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.425 0.209 14.393 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.139 3.627 14.911 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.331 1.408 15.678 1.00 0.00 H new ATOM 1678 N THR B 53 -3.051 6.454 10.108 1.00 0.00 N ATOM 1679 CA THR B 53 -3.193 7.315 8.925 1.00 0.00 C ATOM 1680 C THR B 53 -1.862 8.010 8.642 1.00 0.00 C ATOM 1681 O THR B 53 -1.169 8.414 9.577 1.00 0.00 O ATOM 1682 CB THR B 53 -4.304 8.364 9.148 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.532 7.742 9.463 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.558 9.264 7.936 1.00 0.00 C ATOM 0 H THR B 53 -2.633 6.932 10.906 1.00 0.00 H new ATOM 0 HA THR B 53 -3.471 6.700 8.069 1.00 0.00 H new ATOM 0 HB THR B 53 -3.939 8.978 9.971 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.219 8.427 9.601 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.351 9.974 8.170 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.646 9.807 7.689 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.858 8.652 7.085 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.503 8.181 7.368 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.356 9.015 6.954 1.00 0.00 C ATOM 1694 C VAL B 54 -0.746 9.977 5.832 1.00 0.00 C ATOM 1695 O VAL B 54 -1.475 9.600 4.912 1.00 0.00 O ATOM 1696 CB VAL B 54 0.887 8.172 6.608 1.00 0.00 C ATOM 1697 CG1 VAL B 54 0.768 7.398 5.298 1.00 0.00 C ATOM 1698 CG2 VAL B 54 2.135 9.056 6.533 1.00 0.00 C ATOM 0 H VAL B 54 -1.996 7.747 6.587 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.071 9.625 7.812 1.00 0.00 H new ATOM 0 HB VAL B 54 0.969 7.443 7.414 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.683 6.830 5.126 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -0.078 6.714 5.355 1.00 0.00 H new ATOM 0 HG13 VAL B 54 0.615 8.096 4.475 1.00 0.00 H new ATOM 0 HG21 VAL B 54 3.002 8.442 6.288 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.998 9.815 5.762 1.00 0.00 H new ATOM 0 HG23 VAL B 54 2.295 9.542 7.496 1.00 0.00 H new ATOM 1708 N THR B 55 -0.324 11.237 5.945 1.00 0.00 N ATOM 1709 CA THR B 55 -0.666 12.318 5.004 1.00 0.00 C ATOM 1710 C THR B 55 0.570 13.156 4.629 1.00 0.00 C ATOM 1711 O THR B 55 1.362 13.512 5.506 1.00 0.00 O ATOM 1712 CB THR B 55 -1.804 13.196 5.566 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.953 12.421 5.834 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.248 14.312 4.619 1.00 0.00 C ATOM 0 H THR B 55 0.278 11.547 6.708 1.00 0.00 H new ATOM 0 HA THR B 55 -1.027 11.858 4.084 1.00 0.00 H new ATOM 0 HB THR B 55 -1.386 13.638 6.470 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.661 12.998 6.191 1.00 0.00 H new ATOM 0 HG21 THR B 55 -3.050 14.886 5.083 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.404 14.970 4.412 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.606 13.877 3.686 1.00 0.00 H new ATOM 1722 N GLU B 56 0.731 13.475 3.335 1.00 0.00 N ATOM 1723 CA GLU B 56 1.728 14.441 2.815 1.00 0.00 C ATOM 1724 C GLU B 56 1.265 15.887 3.006 1.00 0.00 C ATOM 1725 O GLU B 56 0.170 16.238 2.514 1.00 0.00 O ATOM 1726 CB GLU B 56 2.057 14.207 1.331 1.00 0.00 C ATOM 1727 CG GLU B 56 3.011 13.026 1.135 1.00 0.00 C ATOM 1728 CD GLU B 56 3.541 12.980 -0.291 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.248 13.929 -0.700 1.00 0.00 O ATOM 1730 OE2 GLU B 56 3.242 11.995 -1.002 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.013 16.659 3.642 1.00 0.00 O ATOM 0 H GLU B 56 0.160 13.061 2.598 1.00 0.00 H new ATOM 0 HA GLU B 56 2.634 14.273 3.397 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.135 14.024 0.780 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.505 15.108 0.912 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.844 13.108 1.833 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.493 12.095 1.364 1.00 0.00 H new TER 1738 GLU B 56