USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 GLN :FLIP amide:sc= -4.52! C(o=-21!,f=-20!) USER MOD Set 1.2: A 95 GLN : amide:sc= -15.1! C(o=-20!,f=-21!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 155:sc= -11.1! (180deg=-12.8!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 93 TYR OH : rot 44:sc= -9.45! USER MOD Set 2.4: A 94 HIS : no HE2:sc= -46.9! C(o=-67!,f=-75!) USER MOD Set 3.1: A 70 ASN : amide:sc= 0.412 K(o=1.3,f=0.27) USER MOD Set 3.2: A 74 LYS NZ :NH3+ 169:sc= 0.876 (180deg=0.791) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -166:sc= 0.531 (180deg=-0.512) USER MOD Set 4.2: A 64 TYR OH : rot 180:sc= 0.0692 USER MOD Set 5.1: A 48 SER OG : rot 66:sc= -6.91! USER MOD Set 5.2: A 63 HIS :FLIP no HE2:sc= -4.64! C(o=-12!,f=-12!) USER MOD Set 6.1: A 44 THR OG1 : rot -74:sc= -9.83! USER MOD Set 6.2: A 46 THR OG1 : rot -69:sc= -2.92! USER MOD Set 6.3: A 65 HIS : no HD1:sc= -16.3! C(o=-29!,f=-36!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -16! C(o=-57!,f=-48!) USER MOD Set 7.2: A 35 MET CE :methyl -157:sc= -32.1! (180deg=-31.9!) USER MOD Set 8.1: A 28 THR OG1 : rot 110:sc= -6.71! USER MOD Set 8.2: A 30 LYS NZ :NH3+ -111:sc= -8.98! (180deg=-12.3!) USER MOD Single : A 8 THR OG1 : rot -54:sc= 1.03 USER MOD Single : A 9 TYR OH : rot -15:sc= -5.63! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 176:sc= -1.05 (180deg=-1.37!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.854! USER MOD Single : A 41 THR OG1 : rot -171:sc= -7.78! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -122:sc= -12.3! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -124:sc= -0.311! USER MOD Single : A 76 TYR OH : rot -101:sc= 0.529 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 86 SER OG : rot 180:sc= -3.85! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -16! C(o=-19!,f=-16!) USER MOD Single : A 103 THR OG1 : rot 17:sc= -7.74! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -46:sc= 0.425 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.756 9.166 4.163 1.00 0.00 N ATOM 36 CA LEU A 6 -5.606 8.541 4.804 1.00 0.00 C ATOM 37 C LEU A 6 -4.820 9.561 5.622 1.00 0.00 C ATOM 38 O LEU A 6 -5.286 10.041 6.655 1.00 0.00 O ATOM 39 CB LEU A 6 -4.690 7.909 3.755 1.00 0.00 C ATOM 40 CG LEU A 6 -5.372 6.949 2.780 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.388 5.893 2.307 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.586 6.300 3.427 1.00 0.00 C ATOM 0 HA LEU A 6 -5.975 7.764 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.218 8.707 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.893 7.372 4.270 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.713 7.518 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.886 5.216 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.550 6.376 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.020 5.328 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.057 5.621 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.273 5.742 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.299 7.071 3.719 1.00 0.00 H new ATOM 54 N GLU A 7 -3.624 9.886 5.144 1.00 0.00 N ATOM 55 CA GLU A 7 -2.758 10.847 5.813 1.00 0.00 C ATOM 56 C GLU A 7 -2.704 10.595 7.315 1.00 0.00 C ATOM 57 O GLU A 7 -2.797 11.526 8.115 1.00 0.00 O ATOM 58 CB GLU A 7 -3.234 12.274 5.538 1.00 0.00 C ATOM 59 CG GLU A 7 -4.703 12.363 5.158 1.00 0.00 C ATOM 60 CD GLU A 7 -5.017 13.591 4.327 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.507 14.681 4.663 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.773 13.464 3.341 1.00 0.00 O ATOM 0 H GLU A 7 -3.231 9.494 4.289 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.752 10.722 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.059 12.884 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.633 12.700 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.985 11.470 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.309 12.378 6.064 1.00 0.00 H new ATOM 69 N THR A 8 -2.549 9.332 7.690 1.00 0.00 N ATOM 70 CA THR A 8 -2.478 8.958 9.096 1.00 0.00 C ATOM 71 C THR A 8 -1.957 7.534 9.260 1.00 0.00 C ATOM 72 O THR A 8 -2.161 6.907 10.300 1.00 0.00 O ATOM 73 CB THR A 8 -3.856 9.086 9.743 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.881 8.441 11.003 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.967 8.498 8.901 1.00 0.00 C ATOM 0 H THR A 8 -2.470 8.550 7.040 1.00 0.00 H new ATOM 0 HA THR A 8 -1.783 9.635 9.592 1.00 0.00 H new ATOM 0 HB THR A 8 -4.029 10.157 9.847 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.578 7.514 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.919 8.621 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.006 9.011 7.940 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.778 7.437 8.738 1.00 0.00 H new ATOM 83 N TYR A 9 -1.292 7.021 8.228 1.00 0.00 N ATOM 84 CA TYR A 9 -0.759 5.669 8.268 1.00 0.00 C ATOM 85 C TYR A 9 0.730 5.641 7.980 1.00 0.00 C ATOM 86 O TYR A 9 1.191 6.193 6.981 1.00 0.00 O ATOM 87 CB TYR A 9 -1.486 4.801 7.258 1.00 0.00 C ATOM 88 CG TYR A 9 -2.967 4.823 7.485 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.759 5.805 6.908 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.568 3.886 8.307 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.118 5.847 7.145 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.923 3.918 8.546 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.696 4.901 7.965 1.00 0.00 C ATOM 94 OH TYR A 9 -7.050 4.938 8.205 1.00 0.00 O ATOM 0 H TYR A 9 -1.112 7.522 7.358 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.914 5.282 9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.266 5.151 6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.121 3.776 7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.307 6.546 6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.965 3.118 8.768 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.725 6.616 6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.379 3.177 9.186 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.407 5.808 7.930 1.00 0.00 H new ATOM 104 N GLU A 10 1.477 4.974 8.844 1.00 0.00 N ATOM 105 CA GLU A 10 2.910 4.854 8.656 1.00 0.00 C ATOM 106 C GLU A 10 3.199 4.489 7.213 1.00 0.00 C ATOM 107 O GLU A 10 4.315 4.643 6.727 1.00 0.00 O ATOM 108 CB GLU A 10 3.480 3.770 9.566 1.00 0.00 C ATOM 109 CG GLU A 10 2.416 2.866 10.146 1.00 0.00 C ATOM 110 CD GLU A 10 2.977 1.852 11.124 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.217 1.757 11.235 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.175 1.154 11.780 1.00 0.00 O ATOM 0 H GLU A 10 1.116 4.510 9.678 1.00 0.00 H new ATOM 0 HA GLU A 10 3.376 5.808 8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.193 3.168 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.033 4.240 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.665 3.474 10.650 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.910 2.341 9.336 1.00 0.00 H new ATOM 119 N TRP A 11 2.183 3.958 6.545 1.00 0.00 N ATOM 120 CA TRP A 11 2.323 3.519 5.175 1.00 0.00 C ATOM 121 C TRP A 11 1.846 4.555 4.154 1.00 0.00 C ATOM 122 O TRP A 11 2.303 4.554 3.014 1.00 0.00 O ATOM 123 CB TRP A 11 1.535 2.233 5.005 1.00 0.00 C ATOM 124 CG TRP A 11 0.151 2.300 5.591 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.282 1.800 6.792 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.990 2.884 4.971 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.635 2.034 6.937 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.086 2.702 5.831 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.184 3.543 3.765 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.362 3.157 5.514 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.446 3.996 3.447 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.522 3.800 4.317 1.00 0.00 C ATOM 0 H TRP A 11 1.251 3.823 6.938 1.00 0.00 H new ATOM 0 HA TRP A 11 3.385 3.367 4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.461 1.998 3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.082 1.415 5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.342 1.298 7.516 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.204 1.755 7.736 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.359 3.698 3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.194 3.008 6.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.606 4.510 2.511 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.500 4.164 4.039 1.00 0.00 H new ATOM 143 N TYR A 12 0.912 5.417 4.536 1.00 0.00 N ATOM 144 CA TYR A 12 0.392 6.406 3.594 1.00 0.00 C ATOM 145 C TYR A 12 1.380 7.532 3.312 1.00 0.00 C ATOM 146 O TYR A 12 2.009 8.076 4.219 1.00 0.00 O ATOM 147 CB TYR A 12 -0.921 7.011 4.081 1.00 0.00 C ATOM 148 CG TYR A 12 -1.582 7.870 3.025 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.213 7.288 1.935 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.562 9.258 3.106 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.810 8.060 0.957 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.156 10.040 2.130 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.779 9.434 1.059 1.00 0.00 C ATOM 154 OH TYR A 12 -3.370 10.206 0.086 1.00 0.00 O ATOM 0 H TYR A 12 0.505 5.454 5.470 1.00 0.00 H new ATOM 0 HA TYR A 12 0.221 5.860 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.601 6.211 4.374 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.734 7.612 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.238 6.212 1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.075 9.734 3.944 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.299 7.589 0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.132 11.117 2.207 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.260 11.154 0.309 1.00 0.00 H new ATOM 164 N ASN A 13 1.476 7.887 2.034 1.00 0.00 N ATOM 165 CA ASN A 13 2.345 8.966 1.583 1.00 0.00 C ATOM 166 C ASN A 13 1.643 9.755 0.483 1.00 0.00 C ATOM 167 O ASN A 13 1.645 9.357 -0.682 1.00 0.00 O ATOM 168 CB ASN A 13 3.672 8.407 1.078 1.00 0.00 C ATOM 169 CG ASN A 13 4.595 8.043 2.215 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.195 7.041 2.976 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.649 8.650 2.404 1.00 0.00 N flip ATOM 0 H ASN A 13 0.954 7.435 1.284 1.00 0.00 H new ATOM 0 HA ASN A 13 2.556 9.631 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.485 7.525 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.157 9.144 0.438 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.913 9.418 1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.258 8.385 3.178 1.00 0.00 H new ATOM 178 N LYS A 14 1.021 10.861 0.871 1.00 0.00 N ATOM 179 CA LYS A 14 0.286 11.699 -0.052 1.00 0.00 C ATOM 180 C LYS A 14 1.169 12.205 -1.193 1.00 0.00 C ATOM 181 O LYS A 14 1.180 11.630 -2.281 1.00 0.00 O ATOM 182 CB LYS A 14 -0.316 12.867 0.720 1.00 0.00 C ATOM 183 CG LYS A 14 -0.410 12.622 2.218 1.00 0.00 C ATOM 184 CD LYS A 14 -1.594 13.355 2.829 1.00 0.00 C ATOM 185 CE LYS A 14 -1.831 14.694 2.149 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.994 15.774 2.741 1.00 0.00 N ATOM 0 H LYS A 14 1.015 11.197 1.834 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.506 11.105 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.287 13.758 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.313 13.074 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.505 11.553 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.511 12.950 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.489 12.739 2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.416 13.512 3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.610 14.605 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.884 14.963 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.185 16.670 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.223 15.877 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.012 15.530 2.637 1.00 0.00 H new ATOM 200 N SER A 15 1.898 13.288 -0.942 1.00 0.00 N ATOM 201 CA SER A 15 2.773 13.875 -1.954 1.00 0.00 C ATOM 202 C SER A 15 3.636 12.813 -2.631 1.00 0.00 C ATOM 203 O SER A 15 4.253 13.070 -3.665 1.00 0.00 O ATOM 204 CB SER A 15 3.667 14.944 -1.322 1.00 0.00 C ATOM 205 OG SER A 15 3.443 16.212 -1.915 1.00 0.00 O ATOM 0 H SER A 15 1.901 13.778 -0.047 1.00 0.00 H new ATOM 0 HA SER A 15 2.141 14.333 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.471 15.000 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.714 14.664 -1.440 1.00 0.00 H new ATOM 0 HG SER A 15 4.025 16.878 -1.493 1.00 0.00 H new ATOM 211 N ILE A 16 3.690 11.628 -2.035 1.00 0.00 N ATOM 212 CA ILE A 16 4.489 10.537 -2.564 1.00 0.00 C ATOM 213 C ILE A 16 4.058 10.098 -3.953 1.00 0.00 C ATOM 214 O ILE A 16 2.924 10.316 -4.380 1.00 0.00 O ATOM 215 CB ILE A 16 4.399 9.308 -1.658 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.754 8.989 -1.065 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.887 8.113 -2.442 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.078 7.516 -1.143 1.00 0.00 C ATOM 0 H ILE A 16 3.185 11.400 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 16 5.506 10.926 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 16 3.702 9.527 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.522 9.557 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.778 9.310 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.828 7.245 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.897 8.336 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.568 7.899 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.060 7.336 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.326 6.949 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.082 7.199 -2.186 1.00 0.00 H new ATOM 230 N SER A 17 4.986 9.432 -4.626 1.00 0.00 N ATOM 231 CA SER A 17 4.758 8.885 -5.950 1.00 0.00 C ATOM 232 C SER A 17 5.104 7.401 -5.945 1.00 0.00 C ATOM 233 O SER A 17 5.331 6.817 -4.885 1.00 0.00 O ATOM 234 CB SER A 17 5.597 9.625 -6.986 1.00 0.00 C ATOM 235 OG SER A 17 4.933 9.683 -8.236 1.00 0.00 O ATOM 0 H SER A 17 5.923 9.257 -4.264 1.00 0.00 H new ATOM 0 HA SER A 17 3.708 9.010 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.805 10.636 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.558 9.124 -7.105 1.00 0.00 H new ATOM 0 HG SER A 17 5.492 10.164 -8.881 1.00 0.00 H new ATOM 241 N ARG A 18 5.156 6.794 -7.120 1.00 0.00 N ATOM 242 CA ARG A 18 5.492 5.380 -7.219 1.00 0.00 C ATOM 243 C ARG A 18 6.984 5.157 -6.977 1.00 0.00 C ATOM 244 O ARG A 18 7.381 4.194 -6.321 1.00 0.00 O ATOM 245 CB ARG A 18 5.099 4.837 -8.595 1.00 0.00 C ATOM 246 CG ARG A 18 5.937 5.398 -9.732 1.00 0.00 C ATOM 247 CD ARG A 18 7.205 4.587 -9.943 1.00 0.00 C ATOM 248 NE ARG A 18 7.367 4.177 -11.335 1.00 0.00 N ATOM 249 CZ ARG A 18 7.038 2.973 -11.791 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.531 2.065 -10.967 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.215 2.675 -13.070 1.00 0.00 N ATOM 0 H ARG A 18 4.972 7.252 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 18 4.934 4.844 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.192 3.751 -8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.050 5.066 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.350 5.402 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.198 6.434 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.068 5.178 -9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.180 3.703 -9.305 1.00 0.00 H new ATOM 0 HE ARG A 18 7.754 4.852 -11.994 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.393 2.291 -9.982 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.279 1.141 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.604 3.370 -13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.962 1.750 -13.418 1.00 0.00 H new ATOM 265 N ASP A 19 7.804 6.047 -7.529 1.00 0.00 N ATOM 266 CA ASP A 19 9.257 5.951 -7.399 1.00 0.00 C ATOM 267 C ASP A 19 9.758 6.331 -6.002 1.00 0.00 C ATOM 268 O ASP A 19 10.608 5.643 -5.436 1.00 0.00 O ATOM 269 CB ASP A 19 9.934 6.838 -8.445 1.00 0.00 C ATOM 270 CG ASP A 19 11.294 6.311 -8.858 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.968 5.681 -8.016 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.685 6.527 -10.024 1.00 0.00 O ATOM 0 H ASP A 19 7.485 6.848 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 19 9.519 4.906 -7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.294 6.911 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.044 7.846 -8.046 1.00 0.00 H new ATOM 277 N LYS A 20 9.258 7.441 -5.461 1.00 0.00 N ATOM 278 CA LYS A 20 9.694 7.911 -4.146 1.00 0.00 C ATOM 279 C LYS A 20 9.485 6.860 -3.066 1.00 0.00 C ATOM 280 O LYS A 20 10.393 6.575 -2.278 1.00 0.00 O ATOM 281 CB LYS A 20 8.954 9.190 -3.763 1.00 0.00 C ATOM 282 CG LYS A 20 8.945 10.237 -4.859 1.00 0.00 C ATOM 283 CD LYS A 20 7.577 10.334 -5.503 1.00 0.00 C ATOM 284 CE LYS A 20 6.776 11.495 -4.934 1.00 0.00 C ATOM 285 NZ LYS A 20 7.645 12.480 -4.232 1.00 0.00 N ATOM 0 H LYS A 20 8.555 8.029 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 20 10.763 8.113 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.926 8.941 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.416 9.614 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.226 11.205 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.690 9.985 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.688 10.460 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.033 9.403 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.239 11.995 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.027 11.113 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.070 13.288 -3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.086 12.027 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.386 12.813 -4.881 1.00 0.00 H new ATOM 299 N ALA A 21 8.286 6.297 -3.012 1.00 0.00 N ATOM 300 CA ALA A 21 7.988 5.296 -2.000 1.00 0.00 C ATOM 301 C ALA A 21 9.075 4.223 -1.967 1.00 0.00 C ATOM 302 O ALA A 21 9.420 3.698 -0.906 1.00 0.00 O ATOM 303 CB ALA A 21 6.616 4.685 -2.211 1.00 0.00 C ATOM 0 H ALA A 21 7.516 6.512 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 21 7.974 5.793 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.426 3.941 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.858 5.466 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.577 4.208 -3.190 1.00 0.00 H new ATOM 309 N GLU A 22 9.648 3.922 -3.125 1.00 0.00 N ATOM 310 CA GLU A 22 10.723 2.946 -3.189 1.00 0.00 C ATOM 311 C GLU A 22 11.917 3.491 -2.417 1.00 0.00 C ATOM 312 O GLU A 22 12.450 2.841 -1.509 1.00 0.00 O ATOM 313 CB GLU A 22 11.114 2.673 -4.643 1.00 0.00 C ATOM 314 CG GLU A 22 9.968 2.151 -5.493 1.00 0.00 C ATOM 315 CD GLU A 22 9.967 2.736 -6.892 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.990 3.332 -7.287 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.942 2.597 -7.592 1.00 0.00 O ATOM 0 H GLU A 22 9.389 4.335 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 22 10.392 2.006 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.495 3.593 -5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.928 1.949 -4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.033 1.065 -5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.022 2.385 -5.005 1.00 0.00 H new ATOM 324 N LYS A 23 12.303 4.713 -2.774 1.00 0.00 N ATOM 325 CA LYS A 23 13.407 5.399 -2.122 1.00 0.00 C ATOM 326 C LYS A 23 13.122 5.555 -0.637 1.00 0.00 C ATOM 327 O LYS A 23 13.968 5.248 0.203 1.00 0.00 O ATOM 328 CB LYS A 23 13.615 6.778 -2.745 1.00 0.00 C ATOM 329 CG LYS A 23 12.907 7.889 -1.986 1.00 0.00 C ATOM 330 CD LYS A 23 12.726 9.128 -2.844 1.00 0.00 C ATOM 331 CE LYS A 23 11.493 9.912 -2.426 1.00 0.00 C ATOM 332 NZ LYS A 23 11.842 11.090 -1.586 1.00 0.00 N ATOM 0 H LYS A 23 11.860 5.250 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 23 14.310 4.804 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.682 6.995 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.256 6.763 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.933 7.535 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.481 8.144 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.609 9.762 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.638 8.838 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.957 10.246 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.818 9.259 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.974 11.598 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.331 10.770 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.466 11.726 -2.122 1.00 0.00 H new ATOM 346 N LEU A 24 11.919 6.027 -0.317 1.00 0.00 N ATOM 347 CA LEU A 24 11.532 6.208 1.073 1.00 0.00 C ATOM 348 C LEU A 24 11.385 4.848 1.738 1.00 0.00 C ATOM 349 O LEU A 24 11.741 4.672 2.903 1.00 0.00 O ATOM 350 CB LEU A 24 10.228 7.005 1.183 1.00 0.00 C ATOM 351 CG LEU A 24 9.008 6.190 1.608 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.711 5.130 0.565 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.245 5.555 2.970 1.00 0.00 C ATOM 0 H LEU A 24 11.204 6.288 -0.996 1.00 0.00 H new ATOM 0 HA LEU A 24 12.310 6.777 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.373 7.814 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.020 7.467 0.218 1.00 0.00 H new ATOM 0 HG LEU A 24 8.146 6.852 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.840 4.551 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.509 5.609 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.570 4.467 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.367 4.977 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.112 4.896 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.426 6.336 3.709 1.00 0.00 H new ATOM 365 N LEU A 25 10.875 3.880 0.980 1.00 0.00 N ATOM 366 CA LEU A 25 10.704 2.531 1.493 1.00 0.00 C ATOM 367 C LEU A 25 12.061 1.921 1.813 1.00 0.00 C ATOM 368 O LEU A 25 12.299 1.465 2.931 1.00 0.00 O ATOM 369 CB LEU A 25 9.969 1.655 0.477 1.00 0.00 C ATOM 370 CG LEU A 25 8.443 1.731 0.537 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.863 1.805 -0.867 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.876 0.534 1.288 1.00 0.00 C ATOM 0 H LEU A 25 10.575 4.008 0.013 1.00 0.00 H new ATOM 0 HA LEU A 25 10.107 2.582 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.292 1.939 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.272 0.619 0.628 1.00 0.00 H new ATOM 0 HG LEU A 25 8.162 2.636 1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.776 1.859 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.244 2.693 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.153 0.916 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.789 0.606 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.164 -0.385 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.269 0.523 2.305 1.00 0.00 H new ATOM 384 N LEU A 26 12.957 1.920 0.826 1.00 0.00 N ATOM 385 CA LEU A 26 14.291 1.366 1.024 1.00 0.00 C ATOM 386 C LEU A 26 15.078 2.190 2.037 1.00 0.00 C ATOM 387 O LEU A 26 15.757 1.640 2.903 1.00 0.00 O ATOM 388 CB LEU A 26 15.057 1.302 -0.296 1.00 0.00 C ATOM 389 CG LEU A 26 16.421 0.618 -0.203 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.620 -0.341 -1.363 1.00 0.00 C ATOM 391 CD2 LEU A 26 17.536 1.651 -0.162 1.00 0.00 C ATOM 0 H LEU A 26 12.784 2.293 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 26 14.173 0.354 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.448 0.773 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.198 2.316 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 26 16.453 0.044 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.597 -0.817 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.841 -1.104 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.565 0.208 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.499 1.145 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.505 2.255 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.404 2.295 0.708 1.00 0.00 H new ATOM 403 N ASP A 27 14.978 3.509 1.925 1.00 0.00 N ATOM 404 CA ASP A 27 15.679 4.404 2.836 1.00 0.00 C ATOM 405 C ASP A 27 15.345 4.058 4.281 1.00 0.00 C ATOM 406 O ASP A 27 16.109 4.359 5.199 1.00 0.00 O ATOM 407 CB ASP A 27 15.307 5.860 2.546 1.00 0.00 C ATOM 408 CG ASP A 27 15.305 6.716 3.797 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.270 6.620 4.584 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.339 7.484 3.990 1.00 0.00 O ATOM 0 H ASP A 27 14.420 3.981 1.214 1.00 0.00 H new ATOM 0 HA ASP A 27 16.751 4.279 2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.012 6.276 1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.321 5.895 2.084 1.00 0.00 H new ATOM 415 N THR A 28 14.194 3.423 4.472 1.00 0.00 N ATOM 416 CA THR A 28 13.745 3.030 5.800 1.00 0.00 C ATOM 417 C THR A 28 14.420 1.735 6.244 1.00 0.00 C ATOM 418 O THR A 28 14.786 1.583 7.410 1.00 0.00 O ATOM 419 CB THR A 28 12.225 2.860 5.808 1.00 0.00 C ATOM 420 OG1 THR A 28 11.696 3.136 7.093 1.00 0.00 O ATOM 421 CG2 THR A 28 11.772 1.471 5.412 1.00 0.00 C ATOM 0 H THR A 28 13.554 3.169 3.720 1.00 0.00 H new ATOM 0 HA THR A 28 14.022 3.816 6.502 1.00 0.00 H new ATOM 0 HB THR A 28 11.853 3.568 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.190 3.975 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.683 1.422 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.120 1.249 4.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.186 0.741 6.108 1.00 0.00 H new ATOM 429 N GLY A 29 14.580 0.805 5.309 1.00 0.00 N ATOM 430 CA GLY A 29 15.208 -0.465 5.624 1.00 0.00 C ATOM 431 C GLY A 29 14.303 -1.369 6.438 1.00 0.00 C ATOM 432 O GLY A 29 14.517 -1.559 7.635 1.00 0.00 O ATOM 0 H GLY A 29 14.286 0.908 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.485 -0.970 4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.130 -0.285 6.177 1.00 0.00 H new ATOM 436 N LYS A 30 13.285 -1.922 5.787 1.00 0.00 N ATOM 437 CA LYS A 30 12.336 -2.805 6.456 1.00 0.00 C ATOM 438 C LYS A 30 11.939 -3.976 5.574 1.00 0.00 C ATOM 439 O LYS A 30 11.832 -3.842 4.355 1.00 0.00 O ATOM 440 CB LYS A 30 11.073 -2.036 6.839 1.00 0.00 C ATOM 441 CG LYS A 30 11.205 -1.225 8.111 1.00 0.00 C ATOM 442 CD LYS A 30 12.243 -0.124 7.974 1.00 0.00 C ATOM 443 CE LYS A 30 11.774 1.166 8.628 1.00 0.00 C ATOM 444 NZ LYS A 30 10.441 1.597 8.121 1.00 0.00 N ATOM 0 H LYS A 30 13.096 -1.774 4.796 1.00 0.00 H new ATOM 0 HA LYS A 30 12.831 -3.187 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.805 -1.368 6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.251 -2.743 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.240 -0.785 8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.480 -1.883 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.179 -0.446 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.448 0.055 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.723 1.027 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.504 1.953 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.549 2.461 7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.034 0.843 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.809 1.787 8.925 1.00 0.00 H new ATOM 458 N GLU A 31 11.682 -5.117 6.203 1.00 0.00 N ATOM 459 CA GLU A 31 11.250 -6.296 5.474 1.00 0.00 C ATOM 460 C GLU A 31 9.748 -6.210 5.242 1.00 0.00 C ATOM 461 O GLU A 31 8.958 -6.346 6.176 1.00 0.00 O ATOM 462 CB GLU A 31 11.596 -7.568 6.251 1.00 0.00 C ATOM 463 CG GLU A 31 11.144 -8.844 5.560 1.00 0.00 C ATOM 464 CD GLU A 31 10.251 -9.697 6.439 1.00 0.00 C ATOM 465 OE1 GLU A 31 9.028 -9.442 6.467 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.773 -10.620 7.098 1.00 0.00 O ATOM 0 H GLU A 31 11.766 -5.247 7.211 1.00 0.00 H new ATOM 0 HA GLU A 31 11.768 -6.338 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.675 -7.609 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.137 -7.517 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.610 -8.588 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.019 -9.424 5.266 1.00 0.00 H new ATOM 473 N GLY A 32 9.360 -5.964 4.000 1.00 0.00 N ATOM 474 CA GLY A 32 7.956 -5.842 3.679 1.00 0.00 C ATOM 475 C GLY A 32 7.404 -4.477 4.041 1.00 0.00 C ATOM 476 O GLY A 32 6.214 -4.342 4.326 1.00 0.00 O ATOM 0 H GLY A 32 9.994 -5.847 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.812 -6.020 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.395 -6.612 4.209 1.00 0.00 H new ATOM 480 N ALA A 33 8.262 -3.455 4.021 1.00 0.00 N ATOM 481 CA ALA A 33 7.828 -2.106 4.340 1.00 0.00 C ATOM 482 C ALA A 33 6.639 -1.746 3.478 1.00 0.00 C ATOM 483 O ALA A 33 6.623 -2.030 2.279 1.00 0.00 O ATOM 484 CB ALA A 33 8.958 -1.112 4.153 1.00 0.00 C ATOM 0 H ALA A 33 9.251 -3.541 3.789 1.00 0.00 H new ATOM 0 HA ALA A 33 7.532 -2.066 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.606 -0.110 4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.787 -1.376 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.294 -1.134 3.116 1.00 0.00 H new ATOM 490 N PHE A 34 5.631 -1.158 4.094 1.00 0.00 N ATOM 491 CA PHE A 34 4.421 -0.810 3.373 1.00 0.00 C ATOM 492 C PHE A 34 4.132 0.683 3.368 1.00 0.00 C ATOM 493 O PHE A 34 4.268 1.365 4.379 1.00 0.00 O ATOM 494 CB PHE A 34 3.240 -1.539 3.978 1.00 0.00 C ATOM 495 CG PHE A 34 1.949 -0.847 3.669 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.556 -0.670 2.359 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.144 -0.353 4.670 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.385 -0.011 2.054 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.013 0.302 4.372 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.399 0.480 3.067 1.00 0.00 C ATOM 0 H PHE A 34 5.625 -0.913 5.084 1.00 0.00 H new ATOM 0 HA PHE A 34 4.579 -1.112 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.207 -2.559 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.368 -1.607 5.058 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.175 -1.053 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.432 -0.486 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.086 0.118 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.632 0.685 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.315 1.004 2.839 1.00 0.00 H new ATOM 510 N MET A 35 3.694 1.173 2.216 1.00 0.00 N ATOM 511 CA MET A 35 3.343 2.574 2.066 1.00 0.00 C ATOM 512 C MET A 35 2.134 2.720 1.156 1.00 0.00 C ATOM 513 O MET A 35 1.669 1.743 0.570 1.00 0.00 O ATOM 514 CB MET A 35 4.511 3.372 1.497 1.00 0.00 C ATOM 515 CG MET A 35 4.230 4.859 1.420 1.00 0.00 C ATOM 516 SD MET A 35 5.692 5.820 1.024 1.00 0.00 S ATOM 517 CE MET A 35 6.511 5.760 2.609 1.00 0.00 C ATOM 0 H MET A 35 3.574 0.616 1.370 1.00 0.00 H new ATOM 0 HA MET A 35 3.101 2.967 3.054 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.393 3.206 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.746 3.000 0.500 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.465 5.041 0.665 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.825 5.198 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.198 6.602 2.696 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.768 5.815 3.405 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.068 4.827 2.696 1.00 0.00 H new ATOM 527 N VAL A 36 1.631 3.941 1.030 1.00 0.00 N ATOM 528 CA VAL A 36 0.477 4.198 0.178 1.00 0.00 C ATOM 529 C VAL A 36 0.533 5.581 -0.445 1.00 0.00 C ATOM 530 O VAL A 36 1.098 6.513 0.126 1.00 0.00 O ATOM 531 CB VAL A 36 -0.849 4.044 0.940 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.024 4.439 0.062 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.003 2.617 1.434 1.00 0.00 C ATOM 0 H VAL A 36 2.001 4.765 1.504 1.00 0.00 H new ATOM 0 HA VAL A 36 0.517 3.449 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.835 4.712 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.952 4.322 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.915 5.479 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.050 3.800 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.945 2.518 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.998 1.935 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.177 2.372 2.101 1.00 0.00 H new ATOM 543 N ARG A 37 -0.056 5.703 -1.628 1.00 0.00 N ATOM 544 CA ARG A 37 -0.071 6.971 -2.339 1.00 0.00 C ATOM 545 C ARG A 37 -1.336 7.115 -3.181 1.00 0.00 C ATOM 546 O ARG A 37 -1.605 6.307 -4.068 1.00 0.00 O ATOM 547 CB ARG A 37 1.183 7.083 -3.203 1.00 0.00 C ATOM 548 CG ARG A 37 0.973 6.761 -4.669 1.00 0.00 C ATOM 549 CD ARG A 37 2.114 5.908 -5.196 1.00 0.00 C ATOM 550 NE ARG A 37 2.088 5.787 -6.652 1.00 0.00 N ATOM 551 CZ ARG A 37 2.110 6.825 -7.483 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.175 8.060 -7.006 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.072 6.627 -8.793 1.00 0.00 N ATOM 0 H ARG A 37 -0.528 4.940 -2.113 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.074 7.784 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.575 8.097 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.944 6.413 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.027 6.235 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.906 7.685 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.064 6.344 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.059 4.915 -4.750 1.00 0.00 H new ATOM 0 HE ARG A 37 2.051 4.851 -7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.208 8.217 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.192 8.854 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.026 5.678 -9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.089 7.424 -9.430 1.00 0.00 H new ATOM 567 N ASP A 38 -2.119 8.145 -2.878 1.00 0.00 N ATOM 568 CA ASP A 38 -3.369 8.397 -3.585 1.00 0.00 C ATOM 569 C ASP A 38 -3.133 8.665 -5.068 1.00 0.00 C ATOM 570 O ASP A 38 -2.105 9.217 -5.458 1.00 0.00 O ATOM 571 CB ASP A 38 -4.106 9.578 -2.953 1.00 0.00 C ATOM 572 CG ASP A 38 -5.126 10.192 -3.892 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.155 9.538 -4.161 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.896 11.328 -4.358 1.00 0.00 O ATOM 0 H ASP A 38 -1.908 8.821 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.982 7.500 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.607 9.246 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.383 10.339 -2.659 1.00 0.00 H new ATOM 579 N SER A 39 -4.102 8.268 -5.888 1.00 0.00 N ATOM 580 CA SER A 39 -4.019 8.460 -7.330 1.00 0.00 C ATOM 581 C SER A 39 -5.110 9.412 -7.815 1.00 0.00 C ATOM 582 O SER A 39 -5.784 10.058 -7.013 1.00 0.00 O ATOM 583 CB SER A 39 -4.143 7.114 -8.047 1.00 0.00 C ATOM 584 OG SER A 39 -4.883 7.243 -9.249 1.00 0.00 O ATOM 0 H SER A 39 -4.957 7.809 -5.575 1.00 0.00 H new ATOM 0 HA SER A 39 -3.050 8.901 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.150 6.723 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.631 6.393 -7.391 1.00 0.00 H new ATOM 0 HG SER A 39 -4.947 6.370 -9.689 1.00 0.00 H new ATOM 590 N ARG A 40 -5.278 9.494 -9.132 1.00 0.00 N ATOM 591 CA ARG A 40 -6.289 10.366 -9.723 1.00 0.00 C ATOM 592 C ARG A 40 -7.342 9.549 -10.466 1.00 0.00 C ATOM 593 O ARG A 40 -7.505 9.681 -11.679 1.00 0.00 O ATOM 594 CB ARG A 40 -5.635 11.366 -10.679 1.00 0.00 C ATOM 595 CG ARG A 40 -6.297 12.735 -10.673 1.00 0.00 C ATOM 596 CD ARG A 40 -5.424 13.778 -11.351 1.00 0.00 C ATOM 597 NE ARG A 40 -5.177 14.930 -10.488 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.731 14.833 -9.240 1.00 0.00 C ATOM 599 NH1 ARG A 40 -4.484 13.641 -8.713 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.532 15.927 -8.518 1.00 0.00 N ATOM 0 H ARG A 40 -4.727 8.967 -9.810 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.779 10.912 -8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.584 11.478 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.665 10.962 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.259 12.677 -11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.498 13.039 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.473 13.326 -11.634 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.905 14.111 -12.271 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.357 15.861 -10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.636 12.797 -9.266 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.142 13.568 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.721 16.845 -8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.190 15.851 -7.560 1.00 0.00 H new ATOM 614 N THR A 41 -8.045 8.697 -9.728 1.00 0.00 N ATOM 615 CA THR A 41 -9.074 7.843 -10.308 1.00 0.00 C ATOM 616 C THR A 41 -10.267 7.713 -9.351 1.00 0.00 C ATOM 617 O THR A 41 -10.460 8.569 -8.487 1.00 0.00 O ATOM 618 CB THR A 41 -8.461 6.482 -10.628 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.116 5.869 -11.725 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.488 5.521 -9.462 1.00 0.00 C ATOM 0 H THR A 41 -7.920 8.580 -8.723 1.00 0.00 H new ATOM 0 HA THR A 41 -9.449 8.286 -11.230 1.00 0.00 H new ATOM 0 HB THR A 41 -7.420 6.691 -10.873 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.802 4.945 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.037 4.575 -9.760 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.927 5.944 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.520 5.350 -9.155 1.00 0.00 H new ATOM 628 N PRO A 42 -11.095 6.657 -9.490 1.00 0.00 N ATOM 629 CA PRO A 42 -12.271 6.449 -8.635 1.00 0.00 C ATOM 630 C PRO A 42 -12.040 6.802 -7.163 1.00 0.00 C ATOM 631 O PRO A 42 -12.971 6.757 -6.359 1.00 0.00 O ATOM 632 CB PRO A 42 -12.538 4.958 -8.799 1.00 0.00 C ATOM 633 CG PRO A 42 -12.143 4.678 -10.207 1.00 0.00 C ATOM 634 CD PRO A 42 -10.973 5.585 -10.501 1.00 0.00 C ATOM 0 HA PRO A 42 -13.099 7.096 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.953 4.367 -8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.586 4.718 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.866 3.631 -10.333 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.969 4.874 -10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.024 5.056 -10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.021 5.984 -11.514 1.00 0.00 H new ATOM 642 N GLY A 43 -10.810 7.164 -6.812 1.00 0.00 N ATOM 643 CA GLY A 43 -10.513 7.529 -5.438 1.00 0.00 C ATOM 644 C GLY A 43 -9.594 6.552 -4.744 1.00 0.00 C ATOM 645 O GLY A 43 -9.362 6.655 -3.539 1.00 0.00 O ATOM 0 H GLY A 43 -10.016 7.211 -7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.057 8.519 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.446 7.599 -4.879 1.00 0.00 H new ATOM 649 N THR A 44 -9.065 5.609 -5.500 1.00 0.00 N ATOM 650 CA THR A 44 -8.159 4.614 -4.951 1.00 0.00 C ATOM 651 C THR A 44 -6.881 5.256 -4.440 1.00 0.00 C ATOM 652 O THR A 44 -6.597 6.422 -4.715 1.00 0.00 O ATOM 653 CB THR A 44 -7.794 3.591 -6.017 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.455 3.162 -5.856 1.00 0.00 O ATOM 655 CG2 THR A 44 -7.941 4.129 -7.418 1.00 0.00 C ATOM 0 H THR A 44 -9.247 5.510 -6.499 1.00 0.00 H new ATOM 0 HA THR A 44 -8.671 4.127 -4.121 1.00 0.00 H new ATOM 0 HB THR A 44 -8.489 2.762 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.847 3.871 -6.152 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.667 3.355 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.975 4.430 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.287 4.991 -7.547 1.00 0.00 H new ATOM 663 N TYR A 45 -6.101 4.464 -3.726 1.00 0.00 N ATOM 664 CA TYR A 45 -4.826 4.910 -3.198 1.00 0.00 C ATOM 665 C TYR A 45 -3.764 3.874 -3.529 1.00 0.00 C ATOM 666 O TYR A 45 -4.074 2.698 -3.715 1.00 0.00 O ATOM 667 CB TYR A 45 -4.900 5.127 -1.690 1.00 0.00 C ATOM 668 CG TYR A 45 -6.071 5.972 -1.253 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.368 5.522 -1.430 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.881 7.215 -0.664 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.449 6.284 -1.034 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.955 7.986 -0.264 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.238 7.516 -0.451 1.00 0.00 C ATOM 674 OH TYR A 45 -9.312 8.279 -0.055 1.00 0.00 O ATOM 0 H TYR A 45 -6.333 3.498 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.568 5.865 -3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.959 4.158 -1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.977 5.600 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.537 4.558 -1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.877 7.585 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.454 5.917 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.791 8.951 0.192 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.991 9.117 0.338 1.00 0.00 H new ATOM 684 N THR A 46 -2.520 4.306 -3.613 1.00 0.00 N ATOM 685 CA THR A 46 -1.434 3.394 -3.935 1.00 0.00 C ATOM 686 C THR A 46 -0.794 2.840 -2.667 1.00 0.00 C ATOM 687 O THR A 46 -0.840 3.476 -1.620 1.00 0.00 O ATOM 688 CB THR A 46 -0.380 4.098 -4.783 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.988 4.875 -5.799 1.00 0.00 O ATOM 690 CG2 THR A 46 0.579 3.137 -5.448 1.00 0.00 C ATOM 0 H THR A 46 -2.236 5.274 -3.464 1.00 0.00 H new ATOM 0 HA THR A 46 -1.851 2.563 -4.504 1.00 0.00 H new ATOM 0 HB THR A 46 0.179 4.729 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.404 4.282 -6.459 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.305 3.697 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.100 2.557 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.024 2.463 -6.101 1.00 0.00 H new ATOM 698 N VAL A 47 -0.200 1.653 -2.771 1.00 0.00 N ATOM 699 CA VAL A 47 0.449 1.013 -1.628 1.00 0.00 C ATOM 700 C VAL A 47 1.882 0.605 -1.954 1.00 0.00 C ATOM 701 O VAL A 47 2.107 -0.278 -2.780 1.00 0.00 O ATOM 702 CB VAL A 47 -0.310 -0.248 -1.170 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.594 -1.134 -0.322 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.570 0.124 -0.406 1.00 0.00 C ATOM 0 H VAL A 47 -0.155 1.114 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 47 0.445 1.754 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.608 -0.808 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.043 -2.020 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.462 -1.436 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.925 -0.581 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.087 -0.783 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.303 0.710 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.225 0.712 -1.049 1.00 0.00 H new ATOM 714 N SER A 48 2.848 1.228 -1.287 1.00 0.00 N ATOM 715 CA SER A 48 4.251 0.888 -1.507 1.00 0.00 C ATOM 716 C SER A 48 4.698 -0.183 -0.519 1.00 0.00 C ATOM 717 O SER A 48 4.832 0.079 0.676 1.00 0.00 O ATOM 718 CB SER A 48 5.170 2.109 -1.374 1.00 0.00 C ATOM 719 OG SER A 48 6.020 2.225 -2.501 1.00 0.00 O ATOM 0 H SER A 48 2.689 1.963 -0.597 1.00 0.00 H new ATOM 0 HA SER A 48 4.330 0.512 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.569 3.013 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.770 2.021 -0.468 1.00 0.00 H new ATOM 0 HG SER A 48 5.483 2.419 -3.297 1.00 0.00 H new ATOM 725 N VAL A 49 4.935 -1.384 -1.027 1.00 0.00 N ATOM 726 CA VAL A 49 5.379 -2.494 -0.195 1.00 0.00 C ATOM 727 C VAL A 49 6.772 -2.939 -0.623 1.00 0.00 C ATOM 728 O VAL A 49 6.948 -3.483 -1.714 1.00 0.00 O ATOM 729 CB VAL A 49 4.408 -3.687 -0.284 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.033 -3.295 0.235 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.319 -4.199 -1.713 1.00 0.00 C ATOM 0 H VAL A 49 4.827 -1.615 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 49 5.403 -2.148 0.838 1.00 0.00 H new ATOM 0 HB VAL A 49 4.793 -4.492 0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.360 -4.150 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.113 -2.981 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.639 -2.473 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.629 -5.041 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.959 -3.402 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.306 -4.521 -2.046 1.00 0.00 H new ATOM 741 N PHE A 50 7.769 -2.684 0.221 1.00 0.00 N ATOM 742 CA PHE A 50 9.143 -3.046 -0.115 1.00 0.00 C ATOM 743 C PHE A 50 9.797 -3.925 0.946 1.00 0.00 C ATOM 744 O PHE A 50 9.560 -3.769 2.153 1.00 0.00 O ATOM 745 CB PHE A 50 9.986 -1.790 -0.351 1.00 0.00 C ATOM 746 CG PHE A 50 11.008 -1.530 0.720 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.622 -1.020 1.946 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.355 -1.785 0.499 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.554 -0.769 2.934 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.291 -1.537 1.484 1.00 0.00 C ATOM 751 CZ PHE A 50 12.889 -1.028 2.703 1.00 0.00 C ATOM 0 H PHE A 50 7.654 -2.235 1.130 1.00 0.00 H new ATOM 0 HA PHE A 50 9.097 -3.631 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.495 -1.882 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.323 -0.928 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.578 -0.815 2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.674 -2.182 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.238 -0.370 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.336 -1.741 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.619 -0.833 3.475 1.00 0.00 H new ATOM 761 N THR A 51 10.630 -4.849 0.469 1.00 0.00 N ATOM 762 CA THR A 51 11.349 -5.772 1.337 1.00 0.00 C ATOM 763 C THR A 51 12.758 -6.017 0.817 1.00 0.00 C ATOM 764 O THR A 51 12.955 -6.793 -0.119 1.00 0.00 O ATOM 765 CB THR A 51 10.611 -7.106 1.411 1.00 0.00 C ATOM 766 OG1 THR A 51 9.382 -6.972 2.099 1.00 0.00 O ATOM 767 CG2 THR A 51 11.411 -8.192 2.095 1.00 0.00 C ATOM 0 H THR A 51 10.823 -4.976 -0.525 1.00 0.00 H new ATOM 0 HA THR A 51 11.406 -5.324 2.329 1.00 0.00 H new ATOM 0 HB THR A 51 10.443 -7.398 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.369 -7.581 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.830 -9.114 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.339 -8.359 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.641 -7.886 3.116 1.00 0.00 H new ATOM 775 N LYS A 52 13.739 -5.368 1.431 1.00 0.00 N ATOM 776 CA LYS A 52 15.120 -5.544 1.023 1.00 0.00 C ATOM 777 C LYS A 52 15.325 -6.932 0.425 1.00 0.00 C ATOM 778 O LYS A 52 15.335 -7.938 1.136 1.00 0.00 O ATOM 779 CB LYS A 52 16.058 -5.342 2.214 1.00 0.00 C ATOM 780 CG LYS A 52 16.087 -3.912 2.730 1.00 0.00 C ATOM 781 CD LYS A 52 17.510 -3.394 2.855 1.00 0.00 C ATOM 782 CE LYS A 52 18.241 -3.446 1.522 1.00 0.00 C ATOM 783 NZ LYS A 52 19.273 -2.379 1.413 1.00 0.00 N ATOM 0 H LYS A 52 13.602 -4.720 2.207 1.00 0.00 H new ATOM 0 HA LYS A 52 15.352 -4.797 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.752 -6.005 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.067 -5.636 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.523 -3.269 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.595 -3.864 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.494 -2.368 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.051 -3.988 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.713 -4.421 1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.522 -3.340 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.748 -2.449 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.819 -1.447 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.974 -2.495 2.173 1.00 0.00 H new ATOM 797 N ALA A 53 15.494 -6.966 -0.891 1.00 0.00 N ATOM 798 CA ALA A 53 15.707 -8.216 -1.606 1.00 0.00 C ATOM 799 C ALA A 53 15.867 -7.981 -3.104 1.00 0.00 C ATOM 800 O ALA A 53 15.613 -6.884 -3.602 1.00 0.00 O ATOM 801 CB ALA A 53 14.553 -9.171 -1.340 1.00 0.00 C ATOM 0 H ALA A 53 15.487 -6.138 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 53 16.632 -8.661 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.721 -10.103 -1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.489 -9.376 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.621 -8.719 -1.679 1.00 0.00 H new ATOM 899 N CYS A 60 13.206 -4.465 -3.407 1.00 0.00 N ATOM 900 CA CYS A 60 11.901 -5.028 -3.721 1.00 0.00 C ATOM 901 C CYS A 60 10.788 -4.118 -3.217 1.00 0.00 C ATOM 902 O CYS A 60 10.279 -4.304 -2.114 1.00 0.00 O ATOM 903 CB CYS A 60 11.756 -6.418 -3.096 1.00 0.00 C ATOM 904 SG CYS A 60 10.658 -7.528 -4.009 1.00 0.00 S ATOM 0 HA CYS A 60 11.820 -5.114 -4.805 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.742 -6.877 -3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.381 -6.310 -2.078 1.00 0.00 H new ATOM 0 HG CYS A 60 10.602 -8.677 -3.404 1.00 0.00 H new ATOM 910 N ILE A 61 10.407 -3.140 -4.034 1.00 0.00 N ATOM 911 CA ILE A 61 9.344 -2.211 -3.667 1.00 0.00 C ATOM 912 C ILE A 61 8.158 -2.349 -4.607 1.00 0.00 C ATOM 913 O ILE A 61 8.202 -1.889 -5.749 1.00 0.00 O ATOM 914 CB ILE A 61 9.813 -0.743 -3.689 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.187 -0.605 -3.032 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.790 0.146 -2.990 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.153 0.129 -1.710 1.00 0.00 C ATOM 0 H ILE A 61 10.818 -2.971 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 61 9.053 -2.470 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 61 9.901 -0.422 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.608 -1.598 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.856 -0.079 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.132 1.181 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.831 0.070 -3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.675 -0.176 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.162 0.190 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.762 1.135 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.511 -0.408 -1.012 1.00 0.00 H new ATOM 929 N LYS A 62 7.098 -2.975 -4.122 1.00 0.00 N ATOM 930 CA LYS A 62 5.899 -3.160 -4.925 1.00 0.00 C ATOM 931 C LYS A 62 4.851 -2.127 -4.562 1.00 0.00 C ATOM 932 O LYS A 62 4.582 -1.891 -3.384 1.00 0.00 O ATOM 933 CB LYS A 62 5.317 -4.555 -4.726 1.00 0.00 C ATOM 934 CG LYS A 62 4.562 -5.067 -5.941 1.00 0.00 C ATOM 935 CD LYS A 62 4.993 -6.477 -6.312 1.00 0.00 C ATOM 936 CE LYS A 62 4.158 -7.029 -7.455 1.00 0.00 C ATOM 937 NZ LYS A 62 2.747 -6.560 -7.391 1.00 0.00 N ATOM 0 H LYS A 62 7.043 -3.362 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 62 6.182 -3.039 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.124 -5.248 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.645 -4.543 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.491 -5.055 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.733 -4.399 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.045 -6.475 -6.596 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.899 -7.128 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.598 -6.726 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.180 -8.118 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.161 -7.133 -8.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.393 -6.657 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.700 -5.562 -7.678 1.00 0.00 H new ATOM 951 N HIS A 63 4.252 -1.519 -5.572 1.00 0.00 N ATOM 952 CA HIS A 63 3.229 -0.525 -5.336 1.00 0.00 C ATOM 953 C HIS A 63 1.851 -1.103 -5.627 1.00 0.00 C ATOM 954 O HIS A 63 1.483 -1.317 -6.782 1.00 0.00 O ATOM 955 CB HIS A 63 3.481 0.697 -6.215 1.00 0.00 C ATOM 956 CG HIS A 63 4.924 0.888 -6.561 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.526 1.003 -7.772 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 5.930 0.972 -5.626 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.897 1.158 -7.586 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 7.087 1.133 -6.281 1.00 0.00 N flip ATOM 0 H HIS A 63 4.457 -1.697 -6.555 1.00 0.00 H new ATOM 0 HA HIS A 63 3.266 -0.225 -4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.904 0.600 -7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.116 1.587 -5.702 1.00 0.00 H new ATOM 0 HD1 HIS A 63 5.050 0.980 -8.674 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.808 0.918 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.649 1.275 -8.352 1.00 0.00 H new ATOM 968 N TYR A 64 1.090 -1.339 -4.568 1.00 0.00 N ATOM 969 CA TYR A 64 -0.254 -1.877 -4.694 1.00 0.00 C ATOM 970 C TYR A 64 -1.273 -0.751 -4.616 1.00 0.00 C ATOM 971 O TYR A 64 -1.295 0.004 -3.644 1.00 0.00 O ATOM 972 CB TYR A 64 -0.509 -2.904 -3.595 1.00 0.00 C ATOM 973 CG TYR A 64 0.261 -4.179 -3.817 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.644 -4.194 -3.723 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.389 -5.361 -4.142 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.356 -5.348 -3.944 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.319 -6.523 -4.363 1.00 0.00 C ATOM 978 CZ TYR A 64 1.693 -6.513 -4.264 1.00 0.00 C ATOM 979 OH TYR A 64 2.405 -7.669 -4.484 1.00 0.00 O ATOM 0 H TYR A 64 1.384 -1.165 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.353 -2.370 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.232 -2.478 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.575 -3.128 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.170 -3.285 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.466 -5.371 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.433 -5.342 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.201 -7.436 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 64 1.786 -8.399 -4.698 1.00 0.00 H new ATOM 989 N HIS A 65 -2.109 -0.624 -5.639 1.00 0.00 N ATOM 990 CA HIS A 65 -3.110 0.431 -5.645 1.00 0.00 C ATOM 991 C HIS A 65 -4.425 -0.054 -5.086 1.00 0.00 C ATOM 992 O HIS A 65 -5.025 -0.995 -5.605 1.00 0.00 O ATOM 993 CB HIS A 65 -3.347 0.986 -7.044 1.00 0.00 C ATOM 994 CG HIS A 65 -3.768 2.413 -7.021 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.065 3.412 -6.398 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.877 2.992 -7.525 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.761 4.545 -6.535 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.869 4.346 -7.216 1.00 0.00 N ATOM 0 H HIS A 65 -2.114 -1.228 -6.461 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.716 1.226 -5.012 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.434 0.888 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.112 0.392 -7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.650 2.483 -8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.453 5.501 -6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.574 5.040 -7.465 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.886 0.605 -4.037 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.149 0.238 -3.439 1.00 0.00 C ATOM 1008 C ILE A 66 -7.283 0.615 -4.371 1.00 0.00 C ATOM 1009 O ILE A 66 -7.634 1.787 -4.495 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.368 0.936 -2.087 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.030 1.285 -1.440 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.191 0.050 -1.171 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.938 0.281 -1.732 1.00 0.00 C ATOM 0 H ILE A 66 -4.408 1.387 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.130 -0.839 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.914 1.864 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.712 2.267 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.166 1.359 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.341 0.553 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.159 -0.150 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.666 -0.891 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.016 0.593 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.235 -0.699 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.774 0.224 -2.808 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.860 -0.384 -5.015 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.964 -0.156 -5.928 1.00 0.00 C ATOM 1027 C LYS A 67 -10.245 0.038 -5.130 1.00 0.00 C ATOM 1028 O LYS A 67 -10.456 -0.644 -4.132 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.115 -1.337 -6.889 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.063 -1.061 -8.046 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.646 0.176 -8.825 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.965 -0.193 -10.133 1.00 0.00 C ATOM 1033 NZ LYS A 67 -9.800 0.163 -11.313 1.00 0.00 N ATOM 0 H LYS A 67 -7.582 -1.361 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.763 0.740 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.135 -1.598 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.475 -2.203 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.085 -1.922 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.075 -0.928 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.523 0.790 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.970 0.778 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.005 0.319 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.757 -1.263 -10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.301 -0.105 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.706 -0.345 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.977 1.188 -11.316 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.099 0.957 -5.561 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.351 1.211 -4.855 1.00 0.00 C ATOM 1049 C GLU A 68 -13.535 0.822 -5.741 1.00 0.00 C ATOM 1050 O GLU A 68 -13.545 1.114 -6.936 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.447 2.691 -4.463 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.231 3.230 -3.709 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.498 4.591 -3.097 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -12.649 5.068 -3.190 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.558 5.178 -2.525 1.00 0.00 O ATOM 0 H GLU A 68 -10.951 1.535 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.374 0.608 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.590 3.284 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.334 2.833 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.952 2.528 -2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.383 3.299 -4.391 1.00 0.00 H new ATOM 1062 N THR A 69 -14.526 0.143 -5.157 1.00 0.00 N ATOM 1063 CA THR A 69 -15.693 -0.296 -5.912 1.00 0.00 C ATOM 1064 C THR A 69 -16.986 -0.002 -5.154 1.00 0.00 C ATOM 1065 O THR A 69 -17.047 0.923 -4.344 1.00 0.00 O ATOM 1066 CB THR A 69 -15.596 -1.794 -6.204 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.818 -2.284 -6.728 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.257 -2.622 -4.983 1.00 0.00 C ATOM 0 H THR A 69 -14.540 -0.111 -4.169 1.00 0.00 H new ATOM 0 HA THR A 69 -15.713 0.258 -6.851 1.00 0.00 H new ATOM 0 HB THR A 69 -14.787 -1.894 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.138 -3.026 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.204 -3.675 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.295 -2.303 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.028 -2.485 -4.225 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.017 -0.802 -5.422 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.310 -0.637 -4.764 1.00 0.00 C ATOM 1078 C ASN A 70 -19.353 -1.420 -3.455 1.00 0.00 C ATOM 1079 O ASN A 70 -19.914 -2.514 -3.390 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.439 -1.099 -5.687 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.052 -2.312 -6.510 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.750 -2.200 -7.698 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.060 -3.482 -5.881 1.00 0.00 N ATOM 0 H ASN A 70 -17.981 -1.571 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.446 0.421 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.320 -1.334 -5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.716 -0.283 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.809 -4.333 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.317 -3.529 -4.895 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.607 -3.132 0.898 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.411 -3.565 0.187 1.00 0.00 C ATOM 1129 C LYS A 74 -16.191 -2.718 -1.057 1.00 0.00 C ATOM 1130 O LYS A 74 -16.756 -2.991 -2.116 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.537 -5.036 -0.195 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.856 -5.670 0.217 1.00 0.00 C ATOM 1133 CD LYS A 74 -19.007 -5.157 -0.632 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.161 -5.970 -1.907 1.00 0.00 C ATOM 1135 NZ LYS A 74 -20.147 -5.358 -2.841 1.00 0.00 N ATOM 0 HA LYS A 74 -15.551 -3.440 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.421 -5.132 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.719 -5.592 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.786 -6.754 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.053 -5.455 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.932 -5.200 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.837 -4.110 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.194 -6.053 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.479 -6.982 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.089 -5.830 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.106 -5.470 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.935 -4.346 -2.955 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.382 -1.674 -0.918 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.119 -0.775 -2.030 1.00 0.00 C ATOM 1151 C ARG A 75 -13.668 -0.797 -2.490 1.00 0.00 C ATOM 1152 O ARG A 75 -13.398 -0.683 -3.681 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.492 0.657 -1.652 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.512 0.910 -0.153 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.376 2.112 0.207 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.681 2.072 -0.447 1.00 0.00 N ATOM 1157 CZ ARG A 75 -18.811 2.451 0.141 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.795 2.898 1.389 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -19.959 2.385 -0.520 1.00 0.00 N ATOM 0 H ARG A 75 -14.901 -1.432 -0.052 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.734 -1.130 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.783 1.342 -2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.475 0.887 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.889 0.025 0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.494 1.075 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.515 2.147 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.857 3.028 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.728 1.734 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.914 2.952 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.664 3.188 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -19.975 2.043 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.826 2.676 -0.067 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.728 -0.889 -1.564 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.335 -0.844 -1.946 1.00 0.00 C ATOM 1175 C TYR A 76 -10.696 -2.216 -2.020 1.00 0.00 C ATOM 1176 O TYR A 76 -11.083 -3.140 -1.318 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.582 0.064 -1.005 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.258 1.393 -0.864 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.631 1.463 -0.775 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.539 2.564 -0.812 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.280 2.661 -0.646 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.172 3.779 -0.674 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.548 3.826 -0.595 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.189 5.036 -0.458 1.00 0.00 O ATOM 0 H TYR A 76 -12.902 -0.993 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.283 -0.441 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.502 -0.410 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.566 0.209 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.209 0.551 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.462 2.530 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.358 2.692 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.594 4.690 -0.628 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.237 5.482 -1.330 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.719 -2.321 -2.901 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.998 -3.564 -3.142 1.00 0.00 C ATOM 1196 C TYR A 77 -7.890 -3.310 -4.159 1.00 0.00 C ATOM 1197 O TYR A 77 -8.079 -2.540 -5.096 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.951 -4.603 -3.709 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.198 -4.371 -5.173 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.103 -3.406 -5.594 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.498 -5.086 -6.131 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.313 -3.161 -6.936 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.696 -4.846 -7.478 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.605 -3.883 -7.876 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.805 -3.643 -9.216 1.00 0.00 O ATOM 0 H TYR A 77 -9.398 -1.542 -3.476 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.574 -3.924 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.536 -5.600 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.896 -4.567 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.652 -2.837 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.789 -5.840 -5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.025 -2.411 -7.248 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.143 -5.408 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.229 -4.234 -9.744 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.742 -3.943 -3.987 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.638 -3.738 -4.917 1.00 0.00 C ATOM 1217 C VAL A 78 -5.606 -4.789 -6.020 1.00 0.00 C ATOM 1218 O VAL A 78 -5.619 -4.460 -7.206 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.281 -3.744 -4.189 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.249 -4.531 -4.982 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.806 -2.323 -3.935 1.00 0.00 C ATOM 0 H VAL A 78 -6.549 -4.594 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.808 -2.761 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.409 -4.236 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.298 -4.523 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.589 -5.560 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.120 -4.075 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.846 -2.347 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.695 -1.801 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.536 -1.800 -3.317 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.528 -6.047 -5.621 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.451 -7.150 -6.568 1.00 0.00 C ATOM 1233 C ALA A 79 -6.802 -7.817 -6.794 1.00 0.00 C ATOM 1234 O ALA A 79 -6.915 -9.035 -6.666 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.462 -8.172 -6.040 1.00 0.00 C ATOM 0 H ALA A 79 -5.516 -6.333 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.126 -6.750 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.393 -9.006 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.482 -7.707 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.800 -8.538 -5.071 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.834 -7.043 -7.115 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.146 -7.642 -7.317 1.00 0.00 C ATOM 1243 C GLU A 80 -9.283 -8.795 -6.338 1.00 0.00 C ATOM 1244 O GLU A 80 -10.005 -9.764 -6.572 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.301 -8.140 -8.756 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.256 -7.029 -9.792 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.000 -7.549 -11.193 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.866 -8.277 -11.724 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.934 -7.229 -11.760 1.00 0.00 O ATOM 0 H GLU A 80 -7.791 -6.031 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.927 -6.901 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.509 -8.858 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.248 -8.673 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.200 -6.485 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.474 -6.318 -9.524 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.541 -8.667 -5.244 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.499 -9.666 -4.191 1.00 0.00 C ATOM 1258 C LYS A 81 -9.542 -9.392 -3.121 1.00 0.00 C ATOM 1259 O LYS A 81 -10.592 -10.033 -3.063 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.133 -9.624 -3.515 1.00 0.00 C ATOM 1261 CG LYS A 81 -5.969 -10.101 -4.363 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.645 -9.709 -3.722 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.103 -10.815 -2.837 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.695 -10.295 -1.505 1.00 0.00 N ATOM 0 H LYS A 81 -7.947 -7.858 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.694 -10.636 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.934 -8.600 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.175 -10.233 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.016 -11.184 -4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.038 -9.669 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.918 -9.476 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.780 -8.803 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.862 -11.587 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.248 -11.285 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.736 -11.063 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.724 -9.927 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.339 -9.531 -1.218 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.210 -8.437 -2.262 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.063 -8.050 -1.155 1.00 0.00 C ATOM 1280 C TYR A 82 -10.485 -6.597 -1.286 1.00 0.00 C ATOM 1281 O TYR A 82 -9.646 -5.709 -1.436 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.319 -8.239 0.169 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.354 -9.406 0.180 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.339 -9.518 -0.766 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.460 -10.398 1.146 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.463 -10.586 -0.745 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.586 -11.467 1.173 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.589 -11.557 0.225 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.717 -12.621 0.247 1.00 0.00 O ATOM 0 H TYR A 82 -8.338 -7.910 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.951 -8.682 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.769 -7.326 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.049 -8.379 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.235 -8.759 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.240 -10.332 1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.681 -10.660 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.683 -12.228 1.933 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.943 -13.214 0.994 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.783 -6.354 -1.211 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.295 -5.001 -1.305 1.00 0.00 C ATOM 1301 C VAL A 83 -12.766 -4.519 0.059 1.00 0.00 C ATOM 1302 O VAL A 83 -13.364 -5.278 0.821 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.437 -4.897 -2.322 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.914 -5.161 -3.725 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.549 -5.861 -1.960 1.00 0.00 C ATOM 0 H VAL A 83 -12.496 -7.073 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.481 -4.364 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.846 -3.887 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.734 -5.085 -4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.148 -4.426 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.485 -6.162 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.354 -5.778 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.162 -6.880 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.931 -5.619 -0.968 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.474 -3.263 0.378 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.853 -2.708 1.669 1.00 0.00 C ATOM 1317 C PHE A 84 -13.433 -1.305 1.532 1.00 0.00 C ATOM 1318 O PHE A 84 -13.755 -0.855 0.433 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.646 -2.685 2.608 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.788 -3.915 2.513 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.052 -5.020 3.305 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.719 -3.964 1.633 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.265 -6.154 3.221 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -8.927 -5.097 1.545 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.202 -6.192 2.340 1.00 0.00 C ATOM 0 H PHE A 84 -11.980 -2.615 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.628 -3.350 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.037 -1.809 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.996 -2.575 3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.882 -4.996 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.501 -3.110 1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.481 -7.009 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.096 -5.124 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.587 -7.077 2.273 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.579 -0.625 2.665 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.136 0.722 2.686 1.00 0.00 C ATOM 1337 C ASP A 85 -13.046 1.791 2.628 1.00 0.00 C ATOM 1338 O ASP A 85 -13.322 2.971 2.844 1.00 0.00 O ATOM 1339 CB ASP A 85 -14.986 0.919 3.942 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.904 2.121 3.836 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.965 2.002 3.188 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.562 3.181 4.402 1.00 0.00 O ATOM 0 H ASP A 85 -13.318 -0.986 3.583 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.759 0.832 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.583 0.024 4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.331 1.040 4.805 1.00 0.00 H new ATOM 1347 N SER A 86 -11.811 1.384 2.338 1.00 0.00 N ATOM 1348 CA SER A 86 -10.701 2.333 2.260 1.00 0.00 C ATOM 1349 C SER A 86 -9.342 1.644 2.432 1.00 0.00 C ATOM 1350 O SER A 86 -9.246 0.471 2.837 1.00 0.00 O ATOM 1351 CB SER A 86 -10.859 3.421 3.326 1.00 0.00 C ATOM 1352 OG SER A 86 -9.817 4.376 3.237 1.00 0.00 O ATOM 0 H SER A 86 -11.555 0.414 2.155 1.00 0.00 H new ATOM 0 HA SER A 86 -10.729 2.780 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.822 3.917 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.857 2.967 4.317 1.00 0.00 H new ATOM 0 HG SER A 86 -9.941 5.061 3.927 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.293 2.397 2.117 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.925 1.910 2.213 1.00 0.00 C ATOM 1360 C ILE A 87 -6.587 1.400 3.608 1.00 0.00 C ATOM 1361 O ILE A 87 -6.017 0.325 3.756 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.913 3.011 1.855 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.024 3.404 0.385 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.502 2.546 2.172 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.287 2.922 -0.287 1.00 0.00 C ATOM 0 H ILE A 87 -8.369 3.360 1.789 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.856 1.086 1.503 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.141 3.891 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.974 4.490 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.164 3.005 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.793 3.333 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.424 2.320 3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.275 1.650 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.290 3.242 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.331 1.834 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.154 3.342 0.224 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.914 2.169 4.658 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.600 1.771 6.028 1.00 0.00 C ATOM 1379 C PRO A 88 -7.094 0.368 6.335 1.00 0.00 C ATOM 1380 O PRO A 88 -6.333 -0.464 6.829 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.315 2.811 6.885 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.463 4.003 5.998 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.584 3.477 4.592 1.00 0.00 C ATOM 0 HA PRO A 88 -5.526 1.739 6.213 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.285 2.446 7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.738 3.052 7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.344 4.584 6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.603 4.666 6.092 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.626 3.380 4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.102 4.139 3.872 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.345 0.079 6.000 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.860 -1.262 6.212 1.00 0.00 C ATOM 1393 C LEU A 89 -8.226 -2.165 5.171 1.00 0.00 C ATOM 1394 O LEU A 89 -7.674 -3.226 5.495 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.389 -1.325 6.117 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.087 -0.012 5.778 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.120 0.190 4.275 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.498 0.000 6.348 1.00 0.00 C ATOM 0 H LEU A 89 -9.006 0.739 5.590 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.606 -1.586 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.657 -2.063 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.779 -1.687 7.068 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.527 0.808 6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.621 1.131 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.101 0.218 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.662 -0.633 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.983 0.943 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.069 -0.826 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.454 -0.109 7.432 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.258 -1.713 3.913 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.636 -2.476 2.848 1.00 0.00 C ATOM 1412 C LEU A 90 -6.195 -2.765 3.231 1.00 0.00 C ATOM 1413 O LEU A 90 -5.661 -3.836 2.941 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.697 -1.721 1.524 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.339 -2.559 0.300 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.399 -2.405 -0.776 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.967 -2.168 -0.230 1.00 0.00 C ATOM 0 H LEU A 90 -8.700 -0.841 3.620 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.177 -3.413 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.703 -1.322 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.020 -0.868 1.575 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.303 -3.608 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.129 -3.009 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.362 -2.737 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.468 -1.358 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.727 -2.775 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.972 -1.115 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.217 -2.333 0.544 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.584 -1.810 3.926 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.221 -1.971 4.398 1.00 0.00 C ATOM 1431 C ILE A 91 -4.237 -2.858 5.625 1.00 0.00 C ATOM 1432 O ILE A 91 -3.484 -3.826 5.724 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.559 -0.626 4.761 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.602 0.322 3.570 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.118 -0.844 5.208 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.838 -0.196 2.383 1.00 0.00 C ATOM 0 H ILE A 91 -6.014 -0.919 4.172 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.638 -2.416 3.591 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.114 -0.179 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.640 0.490 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.193 1.288 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.666 0.115 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.103 -1.494 6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.553 -1.310 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.905 0.522 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.793 -0.338 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.262 -1.148 2.065 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.135 -2.529 6.548 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.290 -3.303 7.764 1.00 0.00 C ATOM 1450 C GLN A 92 -5.467 -4.767 7.407 1.00 0.00 C ATOM 1451 O GLN A 92 -5.036 -5.653 8.145 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.489 -2.803 8.571 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.202 -1.541 9.366 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.718 -1.256 9.489 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.089 -0.900 8.375 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.143 -1.355 10.573 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.765 -1.730 6.472 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.397 -3.186 8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.320 -2.614 7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.809 -3.589 9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.693 -0.694 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.634 -1.637 10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.666 -1.632 11.404 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.144 -1.160 10.640 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.087 -5.021 6.254 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.290 -6.383 5.802 1.00 0.00 C ATOM 1467 C TYR A 93 -4.964 -6.980 5.345 1.00 0.00 C ATOM 1468 O TYR A 93 -4.676 -8.146 5.609 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.300 -6.426 4.656 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.746 -7.068 3.409 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.445 -8.422 3.382 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.508 -6.319 2.265 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.921 -9.012 2.251 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -5.987 -6.904 1.128 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.694 -8.249 1.127 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.167 -8.833 -0.001 1.00 0.00 O ATOM 0 H TYR A 93 -6.451 -4.304 5.627 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.683 -6.969 6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.185 -6.975 4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.622 -5.411 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.624 -9.024 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.734 -5.263 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.690 -10.067 2.247 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.810 -6.309 0.244 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.616 -9.688 -0.167 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.154 -6.171 4.659 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.860 -6.630 4.169 1.00 0.00 C ATOM 1488 C HIS A 94 -1.804 -6.595 5.268 1.00 0.00 C ATOM 1489 O HIS A 94 -0.791 -7.289 5.185 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.418 -5.803 2.963 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.669 -6.495 1.663 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.703 -6.153 0.821 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.032 -7.534 1.074 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.695 -6.954 -0.228 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -2.691 -7.801 -0.102 1.00 0.00 N ATOM 0 H HIS A 94 -4.373 -5.201 4.433 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.971 -7.667 3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.945 -4.849 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.355 -5.580 3.051 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.371 -5.399 0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.167 -8.056 1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.393 -6.922 -1.051 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.047 -5.801 6.304 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.111 -5.710 7.418 1.00 0.00 C ATOM 1506 C GLN A 95 -1.297 -6.895 8.362 1.00 0.00 C ATOM 1507 O GLN A 95 -0.468 -7.142 9.237 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.307 -4.403 8.193 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.814 -3.250 7.343 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.303 -1.906 7.825 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.864 -1.309 8.744 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.232 -1.421 7.206 1.00 0.00 N ATOM 0 H GLN A 95 -2.877 -5.215 6.396 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.100 -5.726 7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.011 -4.577 9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.359 -4.116 8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.506 -3.403 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.904 -3.246 7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.202 -1.949 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.156 -0.521 7.488 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.403 -7.617 8.184 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.711 -8.766 9.024 1.00 0.00 C ATOM 1523 C TYR A 96 -2.968 -10.019 8.194 1.00 0.00 C ATOM 1524 O TYR A 96 -2.052 -10.789 7.906 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.937 -8.464 9.882 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.668 -7.480 10.993 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.153 -6.222 10.714 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.927 -7.805 12.318 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.903 -5.314 11.722 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.680 -6.901 13.334 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.168 -5.657 13.031 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.921 -4.754 14.039 1.00 0.00 O ATOM 0 H TYR A 96 -3.099 -7.423 7.464 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.846 -8.954 9.660 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.729 -8.072 9.244 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.307 -9.394 10.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.944 -5.949 9.690 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.327 -8.779 12.558 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.502 -4.339 11.487 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.887 -7.168 14.360 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.163 -5.152 14.901 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.230 -10.219 7.826 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.629 -11.383 7.041 1.00 0.00 C ATOM 1544 C ASN A 97 -3.518 -11.813 6.091 1.00 0.00 C ATOM 1545 O ASN A 97 -3.422 -12.983 5.721 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.898 -11.079 6.242 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.605 -10.865 4.773 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -4.644 -9.997 4.489 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -6.234 -11.472 3.905 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.996 -9.588 8.060 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.827 -12.199 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.603 -11.902 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.378 -10.189 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.965 -12.131 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.023 -11.316 2.919 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.682 -10.860 5.699 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.592 -11.160 4.793 1.00 0.00 C ATOM 1558 C GLY A 98 -2.047 -11.262 3.350 1.00 0.00 C ATOM 1559 O GLY A 98 -1.952 -12.325 2.736 1.00 0.00 O ATOM 0 H GLY A 98 -2.740 -9.885 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.831 -10.384 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.125 -12.099 5.090 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.544 -10.155 2.806 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.007 -10.148 1.430 1.00 0.00 C ATOM 1565 C GLY A 99 -1.900 -10.461 0.443 1.00 0.00 C ATOM 1566 O GLY A 99 -0.935 -9.706 0.323 1.00 0.00 O ATOM 0 H GLY A 99 -2.634 -9.263 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.808 -10.878 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.431 -9.171 1.198 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.041 -11.577 -0.266 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.042 -11.974 -1.242 1.00 0.00 C ATOM 1572 C GLY A 100 -0.273 -10.797 -1.811 1.00 0.00 C ATOM 1573 O GLY A 100 -0.556 -10.336 -2.917 1.00 0.00 O ATOM 0 H GLY A 100 -2.832 -12.215 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.342 -12.668 -0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.529 -12.511 -2.056 1.00 0.00 H new ATOM 1577 N LEU A 101 0.705 -10.314 -1.053 1.00 0.00 N ATOM 1578 CA LEU A 101 1.529 -9.188 -1.479 1.00 0.00 C ATOM 1579 C LEU A 101 2.998 -9.469 -1.178 1.00 0.00 C ATOM 1580 O LEU A 101 3.316 -10.415 -0.457 1.00 0.00 O ATOM 1581 CB LEU A 101 1.085 -7.905 -0.767 1.00 0.00 C ATOM 1582 CG LEU A 101 0.020 -7.084 -1.499 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.035 -7.992 -2.112 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.620 -6.081 -0.551 1.00 0.00 C ATOM 0 H LEU A 101 0.948 -10.687 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 101 1.407 -9.054 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.702 -8.170 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.961 -7.275 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 101 0.505 -6.536 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.781 -7.387 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.563 -8.669 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.518 -8.572 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.375 -5.505 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.089 -6.612 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.144 -5.407 -0.165 1.00 0.00 H new ATOM 1596 N VAL A 102 3.893 -8.651 -1.724 1.00 0.00 N ATOM 1597 CA VAL A 102 5.321 -8.839 -1.490 1.00 0.00 C ATOM 1598 C VAL A 102 5.558 -9.389 -0.089 1.00 0.00 C ATOM 1599 O VAL A 102 6.548 -10.075 0.165 1.00 0.00 O ATOM 1600 CB VAL A 102 6.109 -7.525 -1.659 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.489 -6.664 -2.746 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.181 -6.766 -0.341 1.00 0.00 C ATOM 0 H VAL A 102 3.659 -7.861 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 102 5.679 -9.550 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 102 7.126 -7.773 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.060 -5.741 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.502 -7.206 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.460 -6.425 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.741 -5.842 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.172 -6.530 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.681 -7.382 0.407 1.00 0.00 H new ATOM 1612 N THR A 103 4.630 -9.086 0.813 1.00 0.00 N ATOM 1613 CA THR A 103 4.713 -9.548 2.191 1.00 0.00 C ATOM 1614 C THR A 103 3.571 -8.966 3.019 1.00 0.00 C ATOM 1615 O THR A 103 3.706 -8.758 4.224 1.00 0.00 O ATOM 1616 CB THR A 103 6.062 -9.171 2.807 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.924 -8.905 4.191 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.698 -7.958 2.165 1.00 0.00 C ATOM 0 H THR A 103 3.807 -8.518 0.611 1.00 0.00 H new ATOM 0 HA THR A 103 4.625 -10.634 2.193 1.00 0.00 H new ATOM 0 HB THR A 103 6.708 -10.031 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.075 -9.275 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.651 -7.747 2.650 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.865 -8.153 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.037 -7.099 2.276 1.00 0.00 H new ATOM 1626 N ARG A 104 2.445 -8.711 2.355 1.00 0.00 N ATOM 1627 CA ARG A 104 1.264 -8.159 3.013 1.00 0.00 C ATOM 1628 C ARG A 104 1.648 -7.138 4.080 1.00 0.00 C ATOM 1629 O ARG A 104 2.231 -7.490 5.104 1.00 0.00 O ATOM 1630 CB ARG A 104 0.443 -9.284 3.642 1.00 0.00 C ATOM 1631 CG ARG A 104 1.205 -10.082 4.688 1.00 0.00 C ATOM 1632 CD ARG A 104 0.892 -9.597 6.094 1.00 0.00 C ATOM 1633 NE ARG A 104 1.878 -10.064 7.065 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.917 -11.307 7.534 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.030 -12.202 7.121 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.845 -11.657 8.415 1.00 0.00 N ATOM 0 H ARG A 104 2.326 -8.879 1.356 1.00 0.00 H new ATOM 0 HA ARG A 104 0.665 -7.650 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.449 -8.858 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.106 -9.960 2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.948 -11.138 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.276 -9.998 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.861 -8.507 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.098 -9.946 6.386 1.00 0.00 H new ATOM 0 HE ARG A 104 2.575 -9.400 7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.316 -11.937 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.062 -13.155 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.530 -10.972 8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.873 -12.611 8.774 1.00 0.00 H new ATOM 1650 N LEU A 105 1.314 -5.872 3.832 1.00 0.00 N ATOM 1651 CA LEU A 105 1.625 -4.799 4.772 1.00 0.00 C ATOM 1652 C LEU A 105 2.490 -5.306 5.917 1.00 0.00 C ATOM 1653 O LEU A 105 2.134 -5.172 7.088 1.00 0.00 O ATOM 1654 CB LEU A 105 0.342 -4.161 5.317 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.305 -3.137 4.400 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.539 -2.943 3.161 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.709 -3.563 4.031 1.00 0.00 C ATOM 0 H LEU A 105 0.829 -5.566 2.989 1.00 0.00 H new ATOM 0 HA LEU A 105 2.187 -4.038 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.380 -4.951 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.569 -3.682 6.269 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.370 -2.186 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.066 -2.207 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.530 -2.591 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.630 -3.891 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.155 -2.816 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.675 -4.524 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.310 -3.656 4.935 1.00 0.00 H new ATOM 1669 N ARG A 106 3.634 -5.881 5.568 1.00 0.00 N ATOM 1670 CA ARG A 106 4.562 -6.401 6.561 1.00 0.00 C ATOM 1671 C ARG A 106 4.888 -5.329 7.588 1.00 0.00 C ATOM 1672 O ARG A 106 5.026 -5.611 8.779 1.00 0.00 O ATOM 1673 CB ARG A 106 5.847 -6.874 5.885 1.00 0.00 C ATOM 1674 CG ARG A 106 6.512 -8.047 6.587 1.00 0.00 C ATOM 1675 CD ARG A 106 5.511 -8.849 7.403 1.00 0.00 C ATOM 1676 NE ARG A 106 6.141 -9.975 8.087 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.056 -9.838 9.040 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.447 -8.629 9.419 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.583 -10.911 9.616 1.00 0.00 N ATOM 0 H ARG A 106 3.941 -5.999 4.602 1.00 0.00 H new ATOM 0 HA ARG A 106 4.093 -7.246 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.623 -7.157 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.551 -6.043 5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.983 -8.695 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.304 -7.680 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.037 -8.198 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.722 -9.218 6.748 1.00 0.00 H new ATOM 0 HE ARG A 106 5.863 -10.919 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.045 -7.802 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.150 -8.526 10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.286 -11.843 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.286 -10.804 10.348 1.00 0.00 H new ATOM 1693 N TYR A 107 5.014 -4.097 7.113 1.00 0.00 N ATOM 1694 CA TYR A 107 5.328 -2.973 7.981 1.00 0.00 C ATOM 1695 C TYR A 107 5.176 -1.651 7.240 1.00 0.00 C ATOM 1696 O TYR A 107 6.084 -1.217 6.530 1.00 0.00 O ATOM 1697 CB TYR A 107 6.752 -3.101 8.518 1.00 0.00 C ATOM 1698 CG TYR A 107 7.153 -1.958 9.419 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.518 -1.759 10.636 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.160 -1.077 9.050 1.00 0.00 C ATOM 1701 CE1 TYR A 107 6.875 -0.713 11.463 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.525 -0.028 9.872 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.879 0.149 11.077 1.00 0.00 C ATOM 1704 OH TYR A 107 8.239 1.193 11.899 1.00 0.00 O ATOM 0 H TYR A 107 4.903 -3.852 6.129 1.00 0.00 H new ATOM 0 HA TYR A 107 4.626 -2.986 8.814 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.843 -4.038 9.068 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.446 -3.155 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.732 -2.433 10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.666 -1.213 8.106 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.370 -0.571 12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.311 0.649 9.572 1.00 0.00 H new ATOM 0 HH TYR A 107 8.962 1.705 11.480 1.00 0.00 H new ATOM 1714 N PRO A 108 4.024 -0.986 7.400 1.00 0.00 N ATOM 1715 CA PRO A 108 3.759 0.296 6.752 1.00 0.00 C ATOM 1716 C PRO A 108 4.895 1.289 6.981 1.00 0.00 C ATOM 1717 O PRO A 108 5.107 1.761 8.097 1.00 0.00 O ATOM 1718 CB PRO A 108 2.464 0.785 7.421 1.00 0.00 C ATOM 1719 CG PRO A 108 2.258 -0.111 8.597 1.00 0.00 C ATOM 1720 CD PRO A 108 2.890 -1.417 8.223 1.00 0.00 C ATOM 0 HA PRO A 108 3.671 0.200 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.552 1.826 7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.621 0.728 6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.719 0.305 9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.197 -0.236 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.213 -1.979 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.204 -2.057 7.668 1.00 0.00 H new ATOM 1728 N VAL A 109 5.623 1.597 5.914 1.00 0.00 N ATOM 1729 CA VAL A 109 6.737 2.527 5.983 1.00 0.00 C ATOM 1730 C VAL A 109 6.272 3.943 5.685 1.00 0.00 C ATOM 1731 O VAL A 109 5.719 4.208 4.620 1.00 0.00 O ATOM 1732 CB VAL A 109 7.843 2.150 4.981 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.695 2.958 3.700 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.218 2.357 5.598 1.00 0.00 C ATOM 0 H VAL A 109 5.457 1.211 4.985 1.00 0.00 H new ATOM 0 HA VAL A 109 7.138 2.474 6.995 1.00 0.00 H new ATOM 0 HB VAL A 109 7.741 1.094 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.484 2.680 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.724 2.753 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.771 4.021 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.986 2.085 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.337 3.404 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.317 1.731 6.485 1.00 0.00 H new ATOM 1744 N CYS A 110 6.495 4.849 6.626 1.00 0.00 N ATOM 1745 CA CYS A 110 6.091 6.233 6.446 1.00 0.00 C ATOM 1746 C CYS A 110 7.305 7.151 6.434 1.00 0.00 C ATOM 1747 O CYS A 110 7.715 7.680 7.467 1.00 0.00 O ATOM 1748 CB CYS A 110 5.110 6.650 7.543 1.00 0.00 C ATOM 1749 SG CYS A 110 5.403 8.301 8.219 1.00 0.00 S ATOM 0 H CYS A 110 6.951 4.651 7.517 1.00 0.00 H new ATOM 0 HA CYS A 110 5.589 6.322 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.097 6.609 7.142 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.161 5.924 8.354 1.00 0.00 H new ATOM 0 HG CYS A 110 6.670 8.448 8.470 1.00 0.00 H new ATOM 1755 N GLY A 111 7.877 7.328 5.250 1.00 0.00 N ATOM 1756 CA GLY A 111 9.044 8.178 5.107 1.00 0.00 C ATOM 1757 C GLY A 111 8.709 9.525 4.496 1.00 0.00 C ATOM 1758 O GLY A 111 7.891 10.271 5.033 1.00 0.00 O ATOM 0 H GLY A 111 7.553 6.897 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.501 8.330 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.783 7.674 4.484 1.00 0.00 H new